smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076569010 805579836 /nfs/dbraw/zinc/57/98/36/805579836.db2.gz GPFSUCSLKSZNIJ-YNEHKIRRSA-N 1 3 267.373 -0.537 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076569010 805579846 /nfs/dbraw/zinc/57/98/46/805579846.db2.gz GPFSUCSLKSZNIJ-YNEHKIRRSA-N 1 3 267.373 -0.537 20 0 CBADHO COCCOC[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000300259394 790468789 /nfs/dbraw/zinc/46/87/89/790468789.db2.gz JWDYJDHLHQMLLI-RWMBFGLXSA-N 1 3 260.378 -0.073 20 0 CBADHO COCCOC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000300259396 790469316 /nfs/dbraw/zinc/46/93/16/790469316.db2.gz JWDYJDHLHQMLLI-YNEHKIRRSA-N 1 3 260.378 -0.073 20 0 CBADHO CC[N@H+](CCCN(C)C)C[C@@H](O)CN1CCOCC1 ZINC000382160295 790524309 /nfs/dbraw/zinc/52/43/09/790524309.db2.gz CHJPDBHSGONFLR-CQSZACIVSA-N 1 3 273.421 -0.047 20 0 CBADHO CC[N@@H+](CCCN(C)C)C[C@@H](O)CN1CCOCC1 ZINC000382160295 790524319 /nfs/dbraw/zinc/52/43/19/790524319.db2.gz CHJPDBHSGONFLR-CQSZACIVSA-N 1 3 273.421 -0.047 20 0 CBADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000388339988 790556137 /nfs/dbraw/zinc/55/61/37/790556137.db2.gz WRQZBCRFJZLZQM-OPRDCNLKSA-N 1 3 277.315 -0.052 20 0 CBADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000388339988 790556148 /nfs/dbraw/zinc/55/61/48/790556148.db2.gz WRQZBCRFJZLZQM-OPRDCNLKSA-N 1 3 277.315 -0.052 20 0 CBADHO CC[NH+]1CCC(NC[C@@H](O)CN2CCOCC2)CC1 ZINC000387442166 790551166 /nfs/dbraw/zinc/55/11/66/790551166.db2.gz ZFBKDQCHCHKYNY-CQSZACIVSA-N 1 3 271.405 -0.247 20 0 CBADHO [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000388339988 790556159 /nfs/dbraw/zinc/55/61/59/790556159.db2.gz WRQZBCRFJZLZQM-OPRDCNLKSA-N 1 3 277.315 -0.052 20 0 CBADHO CC[NH+]1CCC(NC[C@H](O)CN2CCOCC2)CC1 ZINC000387442165 790551572 /nfs/dbraw/zinc/55/15/72/790551572.db2.gz ZFBKDQCHCHKYNY-AWEZNQCLSA-N 1 3 271.405 -0.247 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000405082588 790613788 /nfs/dbraw/zinc/61/37/88/790613788.db2.gz BGTPRAMCHXJIIV-JTQLQIEISA-N 1 3 261.391 -0.296 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]21 ZINC000405163643 790615595 /nfs/dbraw/zinc/61/55/95/790615595.db2.gz ZYZSPHHFQORBLW-JQWIXIFHSA-N 1 3 273.402 -0.296 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]21 ZINC000405163643 790615599 /nfs/dbraw/zinc/61/55/99/790615599.db2.gz ZYZSPHHFQORBLW-JQWIXIFHSA-N 1 3 273.402 -0.296 20 0 CBADHO [NH3+]CC1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000695042590 790687641 /nfs/dbraw/zinc/68/76/41/790687641.db2.gz CLMFFDPLUUHXJC-UHFFFAOYSA-N 1 3 261.391 -0.307 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702337226 790722349 /nfs/dbraw/zinc/72/23/49/790722349.db2.gz KXYJNTUXEBZYKG-WCQYABFASA-N 1 3 255.362 -0.368 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702337226 790722357 /nfs/dbraw/zinc/72/23/57/790722357.db2.gz KXYJNTUXEBZYKG-WCQYABFASA-N 1 3 255.362 -0.368 20 0 CBADHO CC(C)COC[C@@H](O)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000702571154 790722807 /nfs/dbraw/zinc/72/28/07/790722807.db2.gz WLMXCYYAYJWYRA-STQMWFEESA-N 1 3 260.378 -0.324 20 0 CBADHO CC(C)COC[C@@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702571154 790722810 /nfs/dbraw/zinc/72/28/10/790722810.db2.gz WLMXCYYAYJWYRA-STQMWFEESA-N 1 3 260.378 -0.324 20 0 CBADHO CNC(=O)CN1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000709357267 790737590 /nfs/dbraw/zinc/73/75/90/790737590.db2.gz QDDOMQKJAVYMTR-WCQYABFASA-N 1 3 268.405 -0.073 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)c2c(C[NH3+])cnn2C)CCN1C ZINC000719410860 790759553 /nfs/dbraw/zinc/75/95/53/790759553.db2.gz RPILOUGYNOHBIJ-SCZZXKLOSA-N 1 3 251.334 -0.299 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000720514014 790765845 /nfs/dbraw/zinc/76/58/45/790765845.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000720514014 790765850 /nfs/dbraw/zinc/76/58/50/790765850.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905579 790774689 /nfs/dbraw/zinc/77/46/89/790774689.db2.gz DJTAGSOKGNHCDT-IRCOFANPSA-N 1 3 253.346 -0.202 20 0 CBADHO C[C@H](CNS(=O)(=O)C1CNC1)C[NH+]1CCCCC1 ZINC000722262742 790790855 /nfs/dbraw/zinc/79/08/55/790790855.db2.gz QMRHLDYRSRATBP-LLVKDONJSA-N 1 3 275.418 0.000 20 0 CBADHO C[C@@H](CNS(=O)(=O)C1CNC1)C[NH+]1CCCCC1 ZINC000722262743 790791466 /nfs/dbraw/zinc/79/14/66/790791466.db2.gz QMRHLDYRSRATBP-NSHDSACASA-N 1 3 275.418 0.000 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724575827 790808510 /nfs/dbraw/zinc/80/85/10/790808510.db2.gz CRROBYUNIWRMEE-RDBSUJKOSA-N 1 3 269.389 -0.373 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022712943 791040126 /nfs/dbraw/zinc/04/01/26/791040126.db2.gz DJMIOVXUAHXKJE-UTUOFQBUSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001022714524 791041805 /nfs/dbraw/zinc/04/18/05/791041805.db2.gz WFBQWJIXQBHJQS-FIQHERPVSA-N 1 3 282.388 -0.561 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003987 805671866 /nfs/dbraw/zinc/67/18/66/805671866.db2.gz IHPDKUGLHVIEOJ-BFHYXJOUSA-N 1 3 281.400 -0.101 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147892967 814925008 /nfs/dbraw/zinc/92/50/08/814925008.db2.gz MMZJAJAZYMJEGG-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147892967 814925014 /nfs/dbraw/zinc/92/50/14/814925014.db2.gz MMZJAJAZYMJEGG-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013294 805822038 /nfs/dbraw/zinc/82/20/38/805822038.db2.gz ZYDKOASXFSNDPL-CHWSQXEVSA-N 1 3 279.384 -0.347 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078008641 805822143 /nfs/dbraw/zinc/82/21/43/805822143.db2.gz OLCVVOHTPUSXRJ-YNEHKIRRSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078008641 805822154 /nfs/dbraw/zinc/82/21/54/805822154.db2.gz OLCVVOHTPUSXRJ-YNEHKIRRSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175376 805851072 /nfs/dbraw/zinc/85/10/72/805851072.db2.gz YLVXEMLSZOUZOZ-YNEHKIRRSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175376 805851080 /nfs/dbraw/zinc/85/10/80/805851080.db2.gz YLVXEMLSZOUZOZ-YNEHKIRRSA-N 1 3 269.389 -0.101 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970602 814927318 /nfs/dbraw/zinc/92/73/18/814927318.db2.gz MPMSHKBGYKMEER-UHFFFAOYSA-N 1 3 282.388 -0.734 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977831 814927524 /nfs/dbraw/zinc/92/75/24/814927524.db2.gz XWGPPUABDSLZNS-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994294 814927677 /nfs/dbraw/zinc/92/76/77/814927677.db2.gz CIEYCJXEDSPTOP-UHFFFAOYSA-N 1 3 296.415 -0.440 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786485 806009502 /nfs/dbraw/zinc/00/95/02/806009502.db2.gz MZPLLKSWUDUPBM-VXGBXAGGSA-N 1 3 267.373 -0.489 20 0 CBADHO O=C(NCCN[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001147977759 814928159 /nfs/dbraw/zinc/92/81/59/814928159.db2.gz XHQYYASALXXBBF-NSHDSACASA-N 1 3 280.372 -0.933 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001082522463 806184637 /nfs/dbraw/zinc/18/46/37/806184637.db2.gz JREYHJRJAQNWIW-YVECIDJPSA-N 1 3 296.415 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001082522463 806184641 /nfs/dbraw/zinc/18/46/41/806184641.db2.gz JREYHJRJAQNWIW-YVECIDJPSA-N 1 3 296.415 -0.362 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082508345 806185075 /nfs/dbraw/zinc/18/50/75/806185075.db2.gz ZZWSVWLAZCFMPJ-UPJWGTAASA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082508345 806185079 /nfs/dbraw/zinc/18/50/79/806185079.db2.gz ZZWSVWLAZCFMPJ-UPJWGTAASA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC(N)=O ZINC001082570210 806186129 /nfs/dbraw/zinc/18/61/29/806186129.db2.gz BYASOKSXYZMFFU-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC(N)=O ZINC001082570210 806186134 /nfs/dbraw/zinc/18/61/34/806186134.db2.gz BYASOKSXYZMFFU-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082544567 806186225 /nfs/dbraw/zinc/18/62/25/806186225.db2.gz IVSHSIIQBNZASX-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082544567 806186229 /nfs/dbraw/zinc/18/62/29/806186229.db2.gz IVSHSIIQBNZASX-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001082557617 806186444 /nfs/dbraw/zinc/18/64/44/806186444.db2.gz TYLQYWIGMQKKCH-GRYCIOLGSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001082559314 806186851 /nfs/dbraw/zinc/18/68/51/806186851.db2.gz AYYFFINQLPHDNU-IRUJWGPZSA-N 1 3 282.388 -0.752 20 0 CBADHO CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083471992 806335119 /nfs/dbraw/zinc/33/51/19/806335119.db2.gz AEMCODHOWBZWSY-LPWJVIDDSA-N 1 3 269.389 -0.102 20 0 CBADHO CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083471992 806335127 /nfs/dbraw/zinc/33/51/27/806335127.db2.gz AEMCODHOWBZWSY-LPWJVIDDSA-N 1 3 269.389 -0.102 20 0 CBADHO CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954919 806468035 /nfs/dbraw/zinc/46/80/35/806468035.db2.gz OLCVVOHTPUSXRJ-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954919 806468039 /nfs/dbraw/zinc/46/80/39/806468039.db2.gz OLCVVOHTPUSXRJ-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056716 806481991 /nfs/dbraw/zinc/48/19/91/806481991.db2.gz KXHDXVNQUDJTDB-UTUOFQBUSA-N 1 3 255.362 -0.491 20 0 CBADHO CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056716 806481998 /nfs/dbraw/zinc/48/19/98/806481998.db2.gz KXHDXVNQUDJTDB-UTUOFQBUSA-N 1 3 255.362 -0.491 20 0 CBADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799043 798976351 /nfs/dbraw/zinc/97/63/51/798976351.db2.gz QLHFHQFOPFVXOK-DGTMBMJNSA-N 1 3 279.384 -0.084 20 0 CBADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799043 798976357 /nfs/dbraw/zinc/97/63/57/798976357.db2.gz QLHFHQFOPFVXOK-DGTMBMJNSA-N 1 3 279.384 -0.084 20 0 CBADHO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001026365983 799002039 /nfs/dbraw/zinc/00/20/39/799002039.db2.gz DSDHBMJIRSDDAS-ZMLRMANQSA-N 1 3 291.355 -0.736 20 0 CBADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026561313 799010010 /nfs/dbraw/zinc/01/00/10/799010010.db2.gz VOCYYHSOGQOHFW-HIFPTAJRSA-N 1 3 296.415 -0.170 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027091954 799031337 /nfs/dbraw/zinc/03/13/37/799031337.db2.gz XBRYKAMHVBWSGF-ZYHUDNBSSA-N 1 3 291.355 -0.721 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027218084 799034238 /nfs/dbraw/zinc/03/42/38/799034238.db2.gz XJHDMYMKTMFJMO-STQMWFEESA-N 1 3 294.399 -0.591 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885361 799094348 /nfs/dbraw/zinc/09/43/48/799094348.db2.gz DCCVZKDMBVWOHU-UONOGXRCSA-N 1 3 281.400 -0.099 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031977168 799568579 /nfs/dbraw/zinc/56/85/79/799568579.db2.gz XSYBWLUACGOJAI-AAEUAGOBSA-N 1 3 269.389 -0.386 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031977168 799568583 /nfs/dbraw/zinc/56/85/83/799568583.db2.gz XSYBWLUACGOJAI-AAEUAGOBSA-N 1 3 269.389 -0.386 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033660057 799777598 /nfs/dbraw/zinc/77/75/98/799777598.db2.gz HCQDLXUZGJEKII-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033660057 799777601 /nfs/dbraw/zinc/77/76/01/799777601.db2.gz HCQDLXUZGJEKII-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034523965 799842652 /nfs/dbraw/zinc/84/26/52/799842652.db2.gz CVDBOLNBIVRWCC-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034523965 799842661 /nfs/dbraw/zinc/84/26/61/799842661.db2.gz CVDBOLNBIVRWCC-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034523963 799842721 /nfs/dbraw/zinc/84/27/21/799842721.db2.gz CVDBOLNBIVRWCC-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034523963 799842726 /nfs/dbraw/zinc/84/27/26/799842726.db2.gz CVDBOLNBIVRWCC-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034736597 799854816 /nfs/dbraw/zinc/85/48/16/799854816.db2.gz XTPCSNUPTBLJEG-JHJVBQTASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(CCO)C1 ZINC001046317046 801753846 /nfs/dbraw/zinc/75/38/46/801753846.db2.gz DSMPDBBVEWFALZ-ZFWWWQNUSA-N 1 3 281.400 -0.099 20 0 CBADHO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001047429684 801869579 /nfs/dbraw/zinc/86/95/79/801869579.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 1 3 299.415 -0.379 20 0 CBADHO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001047429684 801869586 /nfs/dbraw/zinc/86/95/86/801869586.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 1 3 299.415 -0.379 20 0 CBADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047429684 801869595 /nfs/dbraw/zinc/86/95/95/801869595.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 1 3 299.415 -0.379 20 0 CBADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047429684 801869603 /nfs/dbraw/zinc/86/96/03/801869603.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 1 3 299.415 -0.379 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047627674 801916004 /nfs/dbraw/zinc/91/60/04/801916004.db2.gz TXKOMKFJCSHVGV-IHRRRGAJSA-N 1 3 281.400 -0.148 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047627674 801916006 /nfs/dbraw/zinc/91/60/06/801916006.db2.gz TXKOMKFJCSHVGV-IHRRRGAJSA-N 1 3 281.400 -0.148 20 0 CBADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627312 801916032 /nfs/dbraw/zinc/91/60/32/801916032.db2.gz NQNFOKGSJBGDCP-STQMWFEESA-N 1 3 285.388 -0.768 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049059288 801995534 /nfs/dbraw/zinc/99/55/34/801995534.db2.gz PTBUJLQYGJOYJD-MCIONIFRSA-N 1 3 281.400 -0.289 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049059288 801995538 /nfs/dbraw/zinc/99/55/38/801995538.db2.gz PTBUJLQYGJOYJD-MCIONIFRSA-N 1 3 281.400 -0.289 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001054298453 802332850 /nfs/dbraw/zinc/33/28/50/802332850.db2.gz YZCCFHXONFNJEC-UPJWGTAASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCO ZINC001054734147 802367692 /nfs/dbraw/zinc/36/76/92/802367692.db2.gz ASXOYZMGWGZGOJ-AAEUAGOBSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122101152 813118038 /nfs/dbraw/zinc/11/80/38/813118038.db2.gz XOUQEXPWTVVGTI-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001122103586 813118244 /nfs/dbraw/zinc/11/82/44/813118244.db2.gz OUXMSLVLOGKUKT-NWDGAFQWSA-N 1 3 268.405 -0.216 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356652 813837750 /nfs/dbraw/zinc/83/77/50/813837750.db2.gz FDOLGAGFJMKOJH-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294561 814237390 /nfs/dbraw/zinc/23/73/90/814237390.db2.gz NHONGOPQXQPOAM-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294730 814237436 /nfs/dbraw/zinc/23/74/36/814237436.db2.gz QZHSAGPMFZVRDU-LBPRGKRZSA-N 1 3 286.420 -0.195 20 0 CBADHO C[C@@H](NC(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291685 814237557 /nfs/dbraw/zinc/23/75/57/814237557.db2.gz WFYYKZFRSCZGJN-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415831 814249770 /nfs/dbraw/zinc/24/97/70/814249770.db2.gz QGFXMHLHHRMTBL-CYBMUJFWSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148360638 814940135 /nfs/dbraw/zinc/94/01/35/814940135.db2.gz YNLKMWXHTFIUBH-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)N1CCC1 ZINC001148352483 814940422 /nfs/dbraw/zinc/94/04/22/814940422.db2.gz JXAIGRFXBRCLLA-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148365229 814941204 /nfs/dbraw/zinc/94/12/04/814941204.db2.gz LTBCEVNPUJUVCK-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148365230 814941564 /nfs/dbraw/zinc/94/15/64/814941564.db2.gz LTBCEVNPUJUVCK-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccccc1C(N)=O ZINC001148534942 814948718 /nfs/dbraw/zinc/94/87/18/814948718.db2.gz SDBGQSIMWJUCCH-UHFFFAOYSA-N 1 3 277.328 -0.140 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCOCCOC ZINC001148638078 814954167 /nfs/dbraw/zinc/95/41/67/814954167.db2.gz AZNFUBNMVFCXRC-UHFFFAOYSA-N 1 3 275.393 -0.303 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001148638098 814954257 /nfs/dbraw/zinc/95/42/57/814954257.db2.gz CCSHQPKOHXHAJY-LLVKDONJSA-N 1 3 261.366 -0.959 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001148638106 814955352 /nfs/dbraw/zinc/95/53/52/814955352.db2.gz CNVVDNCGUFIUAH-UHFFFAOYSA-N 1 3 294.399 -0.067 20 0 CBADHO C[C@H](O)C[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001322711276 803931214 /nfs/dbraw/zinc/93/12/14/803931214.db2.gz SMOGQLWAMKILSO-JTQLQIEISA-N 1 3 254.334 -0.229 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001322791656 803938584 /nfs/dbraw/zinc/93/85/84/803938584.db2.gz BPTCEWPKHOGODU-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC001325696177 804306627 /nfs/dbraw/zinc/30/66/27/804306627.db2.gz QTTAMXWYUJMFQM-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001150192897 815020590 /nfs/dbraw/zinc/02/05/90/815020590.db2.gz JIRBECQLXCWXAH-ZDUSSCGKSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241556 815022193 /nfs/dbraw/zinc/02/21/93/815022193.db2.gz PXVKVFPSFYTLQK-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073016437 805355984 /nfs/dbraw/zinc/35/59/84/805355984.db2.gz YNTBHVIGKPMMLA-UHFFFAOYSA-N 1 3 278.356 -0.131 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073016437 805355994 /nfs/dbraw/zinc/35/59/94/805355994.db2.gz YNTBHVIGKPMMLA-UHFFFAOYSA-N 1 3 278.356 -0.131 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074878430 805475905 /nfs/dbraw/zinc/47/59/05/805475905.db2.gz VBZQPEUCCAKQIO-AGIUHOORSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C)N(C)C ZINC001074885605 805476167 /nfs/dbraw/zinc/47/61/67/805476167.db2.gz NTRRVHAYRXLFEL-BJDJZHNGSA-N 1 3 284.404 -0.221 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C)C(N)=O ZINC001075042032 805481273 /nfs/dbraw/zinc/48/12/73/805481273.db2.gz CCQDFZRKRGFAKX-WOPDTQHZSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042323 805481561 /nfs/dbraw/zinc/48/15/61/805481561.db2.gz KKOCVXHEIAEECE-TUAOUCFPSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042323 805481564 /nfs/dbraw/zinc/48/15/64/805481564.db2.gz KKOCVXHEIAEECE-TUAOUCFPSA-N 1 3 282.388 -0.608 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152146394 815108624 /nfs/dbraw/zinc/10/86/24/815108624.db2.gz JICOLVZJSCPFDH-TXEJJXNPSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152146394 815108627 /nfs/dbraw/zinc/10/86/27/815108627.db2.gz JICOLVZJSCPFDH-TXEJJXNPSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](NCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152237171 815112707 /nfs/dbraw/zinc/11/27/07/815112707.db2.gz JFQVLJSSVWBFIN-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NCCN[C@H]1CCCNC1=O ZINC001152340210 815116599 /nfs/dbraw/zinc/11/65/99/815116599.db2.gz IWWLBYORENAWDH-ZDUSSCGKSA-N 1 3 296.415 -0.153 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340526 815116770 /nfs/dbraw/zinc/11/67/70/815116770.db2.gz QNEHZYFMTSHQFG-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO C[NH+](C)Cc1ccccc1C(=O)NCCNCC(N)=O ZINC001152393455 815119040 /nfs/dbraw/zinc/11/90/40/815119040.db2.gz OSVVNQWSAZRNHB-UHFFFAOYSA-N 1 3 278.356 -0.447 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152432106 815121072 /nfs/dbraw/zinc/12/10/72/815121072.db2.gz FUOMBRVIQCDICZ-LLVKDONJSA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152432576 815121139 /nfs/dbraw/zinc/12/11/39/815121139.db2.gz LNEPYZGTMJVCII-JTQLQIEISA-N 1 3 258.366 -0.833 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001152439898 815121273 /nfs/dbraw/zinc/12/12/73/815121273.db2.gz UNRTUAJVCGUOOV-UHFFFAOYSA-N 1 3 294.399 -0.069 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001152458352 815124064 /nfs/dbraw/zinc/12/40/64/815124064.db2.gz NYTKJMXGZBHREO-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152459119 815124077 /nfs/dbraw/zinc/12/40/77/815124077.db2.gz ZDADISFPNKRLRH-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc2cncnc2[nH]1 ZINC001152997043 815145294 /nfs/dbraw/zinc/14/52/94/815145294.db2.gz ZHYUXBNASRDNSO-UHFFFAOYSA-N 1 3 275.316 -0.016 20 0 CBADHO C[NH+](C)C[C@H]1COCCN1c1cc(CN)ncn1 ZINC001154969813 815255012 /nfs/dbraw/zinc/25/50/12/815255012.db2.gz SNBRMWHLOJGMCJ-NSHDSACASA-N 1 3 251.334 -0.298 20 0 CBADHO CCOC(=O)c1c(CN)ncn1-c1cc(C[NH3+])ncn1 ZINC001155078791 815261979 /nfs/dbraw/zinc/26/19/79/815261979.db2.gz WZXKAXYUKSJWRQ-UHFFFAOYSA-N 1 3 276.300 -0.244 20 0 CBADHO NCc1cc(NCc2nnn3c2C[NH2+]CCC3)ncn1 ZINC001155393819 815282015 /nfs/dbraw/zinc/28/20/15/815282015.db2.gz GVDQRXYJXXZLAK-UHFFFAOYSA-N 1 3 274.332 -0.368 20 0 CBADHO [NH3+]C1CCN(c2cccc(NC[C@@H](O)CO)n2)CC1 ZINC001155646365 815303265 /nfs/dbraw/zinc/30/32/65/815303265.db2.gz LGIQJYBUIORVBX-LLVKDONJSA-N 1 3 266.345 -0.226 20 0 CBADHO Cc1cc(CN)nn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001156039925 815333847 /nfs/dbraw/zinc/33/38/47/815333847.db2.gz ZPZIMDWITKGNGB-UHFFFAOYSA-N 1 3 273.344 -0.161 20 0 CBADHO Cc1cnc(N(C)S(=O)(=O)CCN)nc1C1C[NH2+]C1 ZINC001156240131 815350495 /nfs/dbraw/zinc/35/04/95/815350495.db2.gz HYBKLDGIBSQTOH-UHFFFAOYSA-N 1 3 285.373 -0.803 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088425150 810330275 /nfs/dbraw/zinc/33/02/75/810330275.db2.gz OKUSMLMSCHASBC-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088425150 810330283 /nfs/dbraw/zinc/33/02/83/810330283.db2.gz OKUSMLMSCHASBC-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCO ZINC001089039145 810374953 /nfs/dbraw/zinc/37/49/53/810374953.db2.gz XYZFLSBHVPWJAN-WOPDTQHZSA-N 1 3 255.362 -0.491 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCO ZINC001089039145 810374958 /nfs/dbraw/zinc/37/49/58/810374958.db2.gz XYZFLSBHVPWJAN-WOPDTQHZSA-N 1 3 255.362 -0.491 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1-c1ncc2c(n1)CNC2 ZINC001156829189 815383672 /nfs/dbraw/zinc/38/36/72/815383672.db2.gz JXTOLVUCXGMOFN-UHFFFAOYSA-N 1 3 257.301 -0.488 20 0 CBADHO N=c1cc(C[NH3+])ccn1-c1cc2c(nn1)CCNC2 ZINC001156851047 815385443 /nfs/dbraw/zinc/38/54/43/815385443.db2.gz VPOSMIYJNPFGGO-UHFFFAOYSA-N 1 3 256.313 -0.149 20 0 CBADHO CC(C)N(C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001157006829 815399230 /nfs/dbraw/zinc/39/92/30/815399230.db2.gz QAHDHFHTAKWIMK-NSHDSACASA-N 1 3 255.362 -0.084 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098488437 810848919 /nfs/dbraw/zinc/84/89/19/810848919.db2.gz XFWLHQAMZQBGGE-UHFFFAOYSA-N 1 3 296.371 -0.770 20 0 CBADHO COC(=O)c1cnc(NC(=N)NCCCC[NH3+])cn1 ZINC001157093463 815403885 /nfs/dbraw/zinc/40/38/85/815403885.db2.gz BOEZMBIBVBMOOY-UHFFFAOYSA-N 1 3 266.305 -0.062 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157081903 815404424 /nfs/dbraw/zinc/40/44/24/815404424.db2.gz FFUJICFQJFXAMD-SNVBAGLBSA-N 1 3 267.333 -0.652 20 0 CBADHO N=C(NCCCC[NH3+])Nc1ncc(F)cc1C(N)=O ZINC001157099696 815404757 /nfs/dbraw/zinc/40/47/57/815404757.db2.gz TYFARTFPZULQAZ-UHFFFAOYSA-N 1 3 268.296 -0.005 20 0 CBADHO COC(=O)c1cncnc1NC(=N)NCCCC[NH3+] ZINC001157097269 815405196 /nfs/dbraw/zinc/40/51/96/815405196.db2.gz USSKVTYONFCZCP-UHFFFAOYSA-N 1 3 266.305 -0.062 20 0 CBADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879960 810959173 /nfs/dbraw/zinc/95/91/73/810959173.db2.gz SLVWHZKEBZJZQW-KBPBESRZSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879960 810959174 /nfs/dbraw/zinc/95/91/74/810959174.db2.gz SLVWHZKEBZJZQW-KBPBESRZSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064198 811010292 /nfs/dbraw/zinc/01/02/92/811010292.db2.gz JUMSQCIIPUXPBH-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064198 811010299 /nfs/dbraw/zinc/01/02/99/811010299.db2.gz JUMSQCIIPUXPBH-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076528 811014609 /nfs/dbraw/zinc/01/46/09/811014609.db2.gz MQDZTXUPVRSLRD-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100409958 811056297 /nfs/dbraw/zinc/05/62/97/811056297.db2.gz SDBPEXUVUCAKLA-UHFFFAOYSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769358 811077276 /nfs/dbraw/zinc/07/72/76/811077276.db2.gz GHTUIRZIGDHAJJ-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100770976 811078465 /nfs/dbraw/zinc/07/84/65/811078465.db2.gz SIDFRRVVSZRIOV-PNESKVBLSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100901615 811084222 /nfs/dbraw/zinc/08/42/22/811084222.db2.gz FFZPKADGAQJQEQ-BPCQOVAHSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNC[C@H](F)C1 ZINC001157322964 815423099 /nfs/dbraw/zinc/42/30/99/815423099.db2.gz GMURXKPFPUVNFS-MXWKQRLJSA-N 1 3 288.367 -0.706 20 0 CBADHO Cn1ccnc1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157423301 815433138 /nfs/dbraw/zinc/43/31/38/815433138.db2.gz RFYNCVSJIQSIHZ-GFCCVEGCSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1ccnc1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157423301 815433142 /nfs/dbraw/zinc/43/31/42/815433142.db2.gz RFYNCVSJIQSIHZ-GFCCVEGCSA-N 1 3 291.399 -0.047 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106254934 811304005 /nfs/dbraw/zinc/30/40/05/811304005.db2.gz BUMLWMAWSPQTNM-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106666806 811313900 /nfs/dbraw/zinc/31/39/00/811313900.db2.gz WIVQEBBODQURKJ-JHJVBQTASA-N 1 3 296.415 -0.502 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)N(C)C ZINC001106673644 811314078 /nfs/dbraw/zinc/31/40/78/811314078.db2.gz KDMJIBDWBNMOBL-UTUOFQBUSA-N 1 3 284.404 -0.504 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536496 815442213 /nfs/dbraw/zinc/44/22/13/815442213.db2.gz NYXBMFUMDRAGLH-LOWDOPEQSA-N 1 3 284.379 -0.432 20 0 CBADHO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157544721 815444227 /nfs/dbraw/zinc/44/42/27/815444227.db2.gz IFGLVGVCUVFIAJ-VWYCJHECSA-N 1 3 274.340 -0.872 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001109672396 811499684 /nfs/dbraw/zinc/49/96/84/811499684.db2.gz DFMFYGIINDGNPP-WOPDTQHZSA-N 1 3 255.362 -0.348 20 0 CBADHO CN(Cc1ncccn1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157681428 815452962 /nfs/dbraw/zinc/45/29/62/815452962.db2.gz HQXFSGBXMOHHAN-JTQLQIEISA-N 1 3 261.329 -0.756 20 0 CBADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001157715904 815455196 /nfs/dbraw/zinc/45/51/96/815455196.db2.gz KTXUXCQYLYJNRS-KBPBESRZSA-N 1 3 293.367 -0.291 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@H]2CNCCO2)C1 ZINC001157716673 815455786 /nfs/dbraw/zinc/45/57/86/815455786.db2.gz QNIAYXNNILVNPL-IJLUTSLNSA-N 1 3 255.362 -0.179 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708427 815455853 /nfs/dbraw/zinc/45/58/53/815455853.db2.gz PGJKXZPWEHKFLJ-VIFPVBQESA-N 1 3 265.304 -0.063 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001157714934 815455879 /nfs/dbraw/zinc/45/58/79/815455879.db2.gz APTVOKAGBIQAOV-HONMWMINSA-N 1 3 299.346 -0.701 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001157714937 815455948 /nfs/dbraw/zinc/45/59/48/815455948.db2.gz AQFXBQBJKRESLJ-KWQFWETISA-N 1 3 293.364 -0.881 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157717347 815456649 /nfs/dbraw/zinc/45/66/49/815456649.db2.gz ZRWYLDSOCNHLEN-AXFHLTTASA-N 1 3 259.325 -0.477 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730396 815457784 /nfs/dbraw/zinc/45/77/84/815457784.db2.gz KJWSGAOUFHRHIT-RKDXNWHRSA-N 1 3 265.304 -0.329 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730394 815458392 /nfs/dbraw/zinc/45/83/92/815458392.db2.gz KJWSGAOUFHRHIT-DTWKUNHWSA-N 1 3 265.304 -0.329 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(F)(F)CC[C@@H]1CO ZINC001157730034 815458494 /nfs/dbraw/zinc/45/84/94/815458494.db2.gz GYWINQOGCYVAML-NXEZZACHSA-N 1 3 289.326 -0.586 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157731407 815459470 /nfs/dbraw/zinc/45/94/70/815459470.db2.gz UPJZPZVCGYYVCN-VWYCJHECSA-N 1 3 261.341 -0.378 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](F)C(=O)C1 ZINC001157730871 815459862 /nfs/dbraw/zinc/45/98/62/815459862.db2.gz SMXPIIBOLUKJCZ-UWVGGRQHSA-N 1 3 259.325 -0.028 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748801 815461406 /nfs/dbraw/zinc/46/14/06/815461406.db2.gz YTYATSXMHPEDPU-DKHZXNSXSA-N 1 3 293.408 -0.238 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157844300 815470620 /nfs/dbraw/zinc/47/06/20/815470620.db2.gz VWXOMMRBBJAHRM-CKYFFXLPSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001157844300 815470624 /nfs/dbraw/zinc/47/06/24/815470624.db2.gz VWXOMMRBBJAHRM-CKYFFXLPSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001157841566 815470721 /nfs/dbraw/zinc/47/07/21/815470721.db2.gz HHUHMNBXWOVGIE-AVGNSLFASA-N 1 3 296.415 -0.088 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CC[S@@](C)=O ZINC001157843795 815470800 /nfs/dbraw/zinc/47/08/00/815470800.db2.gz SWSJSBGTVCSZQC-GABTYQIGSA-N 1 3 275.418 -0.332 20 0 CBADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CC1 ZINC001114409535 811747620 /nfs/dbraw/zinc/74/76/20/811747620.db2.gz MJIGKASUMOTORT-LOWDOPEQSA-N 1 3 267.373 -0.635 20 0 CBADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CC1 ZINC001114409535 811747626 /nfs/dbraw/zinc/74/76/26/811747626.db2.gz MJIGKASUMOTORT-LOWDOPEQSA-N 1 3 267.373 -0.635 20 0 CBADHO N[C@H](C(=O)N1CCCC(=O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157854443 815472928 /nfs/dbraw/zinc/47/29/28/815472928.db2.gz DKRWFHLGSOQBKM-PWSUYJOCSA-N 1 3 271.336 -0.157 20 0 CBADHO O=C(N1CCCC(=O)[C@@H](F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157854486 815472991 /nfs/dbraw/zinc/47/29/91/815472991.db2.gz FLSNWMXGRGFKBF-UHIISALHSA-N 1 3 283.347 -0.285 20 0 CBADHO O=C(N1CC[C@@H](O)[C@H](F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157854830 815473591 /nfs/dbraw/zinc/47/35/91/815473591.db2.gz IOQXKRMVWFMJPD-PRULPYPASA-N 1 3 271.336 -0.883 20 0 CBADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157854468 815473692 /nfs/dbraw/zinc/47/36/92/815473692.db2.gz FCRRPJPBWFXVAD-GRYCIOLGSA-N 1 3 267.373 -0.585 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900581 815477709 /nfs/dbraw/zinc/47/77/09/815477709.db2.gz MSXCBOCLTWNQCP-IUCAKERBSA-N 1 3 265.304 -0.471 20 0 CBADHO C[C@@]1(CO)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1O ZINC001157946483 815491047 /nfs/dbraw/zinc/49/10/47/815491047.db2.gz NNLYVDNRVBIWAI-LOWVWBTDSA-N 1 3 273.377 -0.966 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@@H](N)CCC[NH3+])no1 ZINC001157983026 815494020 /nfs/dbraw/zinc/49/40/20/815494020.db2.gz LDRNVWKQIMLVHO-VIFPVBQESA-N 1 3 255.322 -0.555 20 0 CBADHO C[C@]1(CO)CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]1O ZINC001157947128 815490609 /nfs/dbraw/zinc/49/06/09/815490609.db2.gz QRJJHENGMLVWLL-GMXVVIOVSA-N 1 3 273.377 -0.966 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@H]2C[NH2+]CC23CNC3)no1 ZINC001157982984 815494724 /nfs/dbraw/zinc/49/47/24/815494724.db2.gz JTAFBJPKXWCWAE-SNVBAGLBSA-N 1 3 279.344 -0.812 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1CC[C@H](O)CC1 ZINC001157989985 815496021 /nfs/dbraw/zinc/49/60/21/815496021.db2.gz WVGZGDWKTXRJSK-RGCMKSIDSA-N 1 3 281.400 -0.053 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070170 815500733 /nfs/dbraw/zinc/50/07/33/815500733.db2.gz DHOSVYISPRAYQU-GFCCVEGCSA-N 1 3 293.371 -0.740 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081411 815503303 /nfs/dbraw/zinc/50/33/03/815503303.db2.gz BHUHYCGFWBBEHL-LLVKDONJSA-N 1 3 297.403 -0.508 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114991988 812171991 /nfs/dbraw/zinc/17/19/91/812171991.db2.gz MXSHSJFAVULJCH-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114991988 812171996 /nfs/dbraw/zinc/17/19/96/812171996.db2.gz MXSHSJFAVULJCH-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114996594 812172088 /nfs/dbraw/zinc/17/20/88/812172088.db2.gz AKCJMUJFKRUUJM-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114996594 812172093 /nfs/dbraw/zinc/17/20/93/812172093.db2.gz AKCJMUJFKRUUJM-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001114998224 812172118 /nfs/dbraw/zinc/17/21/18/812172118.db2.gz PZYQWIHGTPSVEX-RMRHIDDWSA-N 1 3 299.415 -0.618 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114998224 812172124 /nfs/dbraw/zinc/17/21/24/812172124.db2.gz PZYQWIHGTPSVEX-RMRHIDDWSA-N 1 3 299.415 -0.618 20 0 CBADHO O=C([C@H]1CCC2(CNC2)O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199229 815512414 /nfs/dbraw/zinc/51/24/14/815512414.db2.gz QIKFXCXBMLCKIR-HBNTYKKESA-N 1 3 251.330 -0.530 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115305031 812190829 /nfs/dbraw/zinc/19/08/29/812190829.db2.gz ZANRATJPKDERDY-NHAGDIPZSA-N 1 3 299.415 -0.618 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115305031 812190835 /nfs/dbraw/zinc/19/08/35/812190835.db2.gz ZANRATJPKDERDY-NHAGDIPZSA-N 1 3 299.415 -0.618 20 0 CBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170169 815509562 /nfs/dbraw/zinc/50/95/62/815509562.db2.gz WOJDHKWFNLDHAD-LBPRGKRZSA-N 1 3 294.399 -0.939 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192914 815511352 /nfs/dbraw/zinc/51/13/52/815511352.db2.gz HXLFPZQCTNEDRA-SDDRHHMPSA-N 1 3 263.345 -0.747 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158328259 815520395 /nfs/dbraw/zinc/52/03/95/815520395.db2.gz XJJHNOHRNSWERW-NAKRPEOUSA-N 1 3 253.321 -0.388 20 0 CBADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335607 815520959 /nfs/dbraw/zinc/52/09/59/815520959.db2.gz DAFYRKWXLCRBQG-FAAHXZRKSA-N 1 3 287.363 -0.193 20 0 CBADHO c1cc(N2CCN3CC[C@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001158422660 815527854 /nfs/dbraw/zinc/52/78/54/815527854.db2.gz DFXZFQJQAYZJBR-LBPRGKRZSA-N 1 3 274.372 -0.220 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@H]3[NH2+]C[C@H]32)C1=O ZINC001158424902 815527954 /nfs/dbraw/zinc/52/79/54/815527954.db2.gz URTJFFFRFXZFBQ-QJPTWQEYSA-N 1 3 280.372 -0.711 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158424677 815528525 /nfs/dbraw/zinc/52/85/25/815528525.db2.gz UBZVJBUSTSUGCT-ZPFDUUQYSA-N 1 3 282.388 -0.561 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422341 815528659 /nfs/dbraw/zinc/52/86/59/815528659.db2.gz KGNDHURDEJXGAD-WUHRBBMRSA-N 1 3 296.415 -0.173 20 0 CBADHO CC[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001118229140 812502031 /nfs/dbraw/zinc/50/20/31/812502031.db2.gz XQNLLUYQFHLAEM-WDEREUQCSA-N 1 3 266.349 -0.362 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001118337355 812534588 /nfs/dbraw/zinc/53/45/88/812534588.db2.gz FBIXOPLJXBJCID-IHRRRGAJSA-N 1 3 299.415 -0.033 20 0 CBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](N)CCC[NH3+] ZINC001158524259 815536300 /nfs/dbraw/zinc/53/63/00/815536300.db2.gz NMJUTUJKJAKHJV-BREBYQMCSA-N 1 3 269.345 -0.393 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567165 815538716 /nfs/dbraw/zinc/53/87/16/815538716.db2.gz FKTJUIFUYOTHIC-JLLWLGSASA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567165 815538721 /nfs/dbraw/zinc/53/87/21/815538721.db2.gz FKTJUIFUYOTHIC-JLLWLGSASA-N 1 3 295.362 -0.185 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001158630723 815540776 /nfs/dbraw/zinc/54/07/76/815540776.db2.gz WTIFMZJRZHAJLE-AXFHLTTASA-N 1 3 274.434 -0.443 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC001119294990 812744445 /nfs/dbraw/zinc/74/44/45/812744445.db2.gz QFLJUQHKGIHAMW-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119352509 812763829 /nfs/dbraw/zinc/76/38/29/812763829.db2.gz MGRGCEBDCXZTMJ-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001119355740 812764867 /nfs/dbraw/zinc/76/48/67/812764867.db2.gz YKWYEMAUPACODG-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO COCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001119355743 812765045 /nfs/dbraw/zinc/76/50/45/812765045.db2.gz YKWYEMAUPACODG-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](N)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001119357648 812765197 /nfs/dbraw/zinc/76/51/97/812765197.db2.gz IXEKDPAHOFOIES-MRVPVSSYSA-N 1 3 250.306 -0.828 20 0 CBADHO Cc1cn2c(nc(CNC(CN)C[NH3+])cc2=O)s1 ZINC001119618577 812835341 /nfs/dbraw/zinc/83/53/41/812835341.db2.gz OOUDNARGGALBLQ-UHFFFAOYSA-N 1 3 267.358 -0.560 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C[C@@H]21 ZINC001119636496 812846369 /nfs/dbraw/zinc/84/63/69/812846369.db2.gz QUOSBVDQTDHUDR-UPJWGTAASA-N 1 3 294.399 -0.654 20 0 CBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C2(N)CC2)C1 ZINC001159133934 815561140 /nfs/dbraw/zinc/56/11/40/815561140.db2.gz LDELYYGEKRQIPF-NSHDSACASA-N 1 3 277.372 -0.106 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(c2ccnn2CC[NH+](C)C)C1=O ZINC001120091977 812933247 /nfs/dbraw/zinc/93/32/47/812933247.db2.gz UXZCLKSAGLJNEY-SNVBAGLBSA-N 1 3 294.359 -0.569 20 0 CBADHO O=C(NCC1(O)C[NH2+]C1)c1cc2c(s1)CCNC2 ZINC001122056412 813110471 /nfs/dbraw/zinc/11/04/71/813110471.db2.gz SXZPSWISDJORBW-UHFFFAOYSA-N 1 3 267.354 -0.542 20 0 CBADHO O=C(COC1CC[NH2+]CC1)N[C@@H]1COC2(CNC2)C1 ZINC001122063013 813110769 /nfs/dbraw/zinc/11/07/69/813110769.db2.gz HIXXGSTZIXXQSP-JTQLQIEISA-N 1 3 269.345 -0.998 20 0 CBADHO C[C@@H]1NC[C@H](C)N(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H]1C ZINC001122182191 813128743 /nfs/dbraw/zinc/12/87/43/813128743.db2.gz UWXAAGDMLMHNTH-CYDGBPFRSA-N 1 3 296.415 -0.219 20 0 CBADHO COCCNCC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001122280104 813139966 /nfs/dbraw/zinc/13/99/66/813139966.db2.gz XNLKJLSSOIGLHO-UHFFFAOYSA-N 1 3 259.350 -0.811 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC001122295168 813142168 /nfs/dbraw/zinc/14/21/68/813142168.db2.gz FELSNFNQTBJSIR-UTUOFQBUSA-N 1 3 255.362 -0.192 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001122302074 813143107 /nfs/dbraw/zinc/14/31/07/813143107.db2.gz FYRWXIVUNOFTSC-DOLQZWNJSA-N 1 3 255.318 -0.724 20 0 CBADHO C[C@@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@@H]1CNCCO1 ZINC001159502963 815579803 /nfs/dbraw/zinc/57/98/03/815579803.db2.gz RHFDWHJKSWMSSY-SKDRFNHKSA-N 1 3 263.345 -0.048 20 0 CBADHO COCCNCC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122319562 813145869 /nfs/dbraw/zinc/14/58/69/813145869.db2.gz KAUULJMKBOOCGK-UHFFFAOYSA-N 1 3 271.361 -0.797 20 0 CBADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159863322 815601272 /nfs/dbraw/zinc/60/12/72/815601272.db2.gz RPNUIZVCOCXSRZ-RYUDHWBXSA-N 1 3 296.415 -0.231 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001159860693 815601729 /nfs/dbraw/zinc/60/17/29/815601729.db2.gz CCMDAHNCULYDSV-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159863323 815601832 /nfs/dbraw/zinc/60/18/32/815601832.db2.gz RPNUIZVCOCXSRZ-VXGBXAGGSA-N 1 3 296.415 -0.231 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCN2C)C1=O ZINC001124878406 813493588 /nfs/dbraw/zinc/49/35/88/813493588.db2.gz LQWRHIVEWMCQAQ-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001127065847 813709150 /nfs/dbraw/zinc/70/91/50/813709150.db2.gz FYETYRJCVMRYEL-QWHCGFSZSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001127065847 813709157 /nfs/dbraw/zinc/70/91/57/813709157.db2.gz FYETYRJCVMRYEL-QWHCGFSZSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001127065898 813709439 /nfs/dbraw/zinc/70/94/39/813709439.db2.gz GVPJTLNDTBTBRW-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001127065898 813709446 /nfs/dbraw/zinc/70/94/46/813709446.db2.gz GVPJTLNDTBTBRW-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001127066392 813709696 /nfs/dbraw/zinc/70/96/96/813709696.db2.gz NFIHIIDQENQKBX-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001127066392 813709702 /nfs/dbraw/zinc/70/97/02/813709702.db2.gz NFIHIIDQENQKBX-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255602 813722554 /nfs/dbraw/zinc/72/25/54/813722554.db2.gz KDJOUYKQWZTEAQ-WDEREUQCSA-N 1 3 268.361 -0.948 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255602 813722560 /nfs/dbraw/zinc/72/25/60/813722560.db2.gz KDJOUYKQWZTEAQ-WDEREUQCSA-N 1 3 268.361 -0.948 20 0 CBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481093 813732984 /nfs/dbraw/zinc/73/29/84/813732984.db2.gz PFGBZORJSQFWQP-STQMWFEESA-N 1 3 294.399 -0.687 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481575 813733773 /nfs/dbraw/zinc/73/37/73/813733773.db2.gz USPYWIVLCRTHMA-ZYHUDNBSSA-N 1 3 282.388 -0.832 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127643631 813740116 /nfs/dbraw/zinc/74/01/16/813740116.db2.gz DTPTWLNNXBSGPV-MXWKQRLJSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127643631 813740122 /nfs/dbraw/zinc/74/01/22/813740122.db2.gz DTPTWLNNXBSGPV-MXWKQRLJSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001127659884 813741047 /nfs/dbraw/zinc/74/10/47/813741047.db2.gz OHPXIUGWQQQYHT-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001127659884 813741059 /nfs/dbraw/zinc/74/10/59/813741059.db2.gz OHPXIUGWQQQYHT-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690776 813741334 /nfs/dbraw/zinc/74/13/34/813741334.db2.gz SRFCVHBNKVRKCV-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690776 813741339 /nfs/dbraw/zinc/74/13/39/813741339.db2.gz SRFCVHBNKVRKCV-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127701288 813741910 /nfs/dbraw/zinc/74/19/10/813741910.db2.gz MVARIUIBPNNNHK-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127701288 813741913 /nfs/dbraw/zinc/74/19/13/813741913.db2.gz MVARIUIBPNNNHK-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001128533195 813779115 /nfs/dbraw/zinc/77/91/15/813779115.db2.gz IRSBRQWUCBHPLN-QWRGUYRKSA-N 1 3 288.367 -0.739 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001128774215 813796645 /nfs/dbraw/zinc/79/66/45/813796645.db2.gz PEKPKWXFNWGHQD-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001128774215 813796652 /nfs/dbraw/zinc/79/66/52/813796652.db2.gz PEKPKWXFNWGHQD-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001128774127 813797176 /nfs/dbraw/zinc/79/71/76/813797176.db2.gz MJMRKCNCRNARHD-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001128774127 813797183 /nfs/dbraw/zinc/79/71/83/813797183.db2.gz MJMRKCNCRNARHD-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001128779753 813799301 /nfs/dbraw/zinc/79/93/01/813799301.db2.gz XOUBSLTWFUDZKT-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001128779753 813799306 /nfs/dbraw/zinc/79/93/06/813799306.db2.gz XOUBSLTWFUDZKT-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329532 813836429 /nfs/dbraw/zinc/83/64/29/813836429.db2.gz YDNFHLSTJVEPSX-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329532 813836443 /nfs/dbraw/zinc/83/64/43/813836443.db2.gz YDNFHLSTJVEPSX-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129358547 813840250 /nfs/dbraw/zinc/84/02/50/813840250.db2.gz UEDPDBIGQDQQEE-NSHDSACASA-N 1 3 273.377 -0.816 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001129358589 813840910 /nfs/dbraw/zinc/84/09/10/813840910.db2.gz VCIHHXNMVOBSKW-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129437338 813845926 /nfs/dbraw/zinc/84/59/26/813845926.db2.gz ZDSJGVBEPJLGII-ZDUSSCGKSA-N 1 3 287.404 -0.305 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)C1CC1 ZINC001129444082 813845990 /nfs/dbraw/zinc/84/59/90/813845990.db2.gz PUOBFVISSGUEMW-CQSZACIVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001129532251 813850097 /nfs/dbraw/zinc/85/00/97/813850097.db2.gz WYANEIRKFKUHKN-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839950 813870347 /nfs/dbraw/zinc/87/03/47/813870347.db2.gz CLEPXVCPQQIMAM-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129839950 813870359 /nfs/dbraw/zinc/87/03/59/813870359.db2.gz CLEPXVCPQQIMAM-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC1CC1 ZINC001129856556 813870405 /nfs/dbraw/zinc/87/04/05/813870405.db2.gz UDNSGHLLWUJKFV-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC1CC1 ZINC001129856556 813870416 /nfs/dbraw/zinc/87/04/16/813870416.db2.gz UDNSGHLLWUJKFV-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+](C)C ZINC001129947175 813883497 /nfs/dbraw/zinc/88/34/97/813883497.db2.gz MUZPQVQXHBMGNC-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001130205759 813918352 /nfs/dbraw/zinc/91/83/52/813918352.db2.gz VRSKAIZJBUEOTD-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001130203449 813918557 /nfs/dbraw/zinc/91/85/57/813918557.db2.gz MMYUTUMSBAWPEL-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001130203172 813918795 /nfs/dbraw/zinc/91/87/95/813918795.db2.gz HRLNXBVEBAQGFK-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001130205758 813918880 /nfs/dbraw/zinc/91/88/80/813918880.db2.gz VRSKAIZJBUEOTD-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](NCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130810365 813983240 /nfs/dbraw/zinc/98/32/40/813983240.db2.gz SULIFZGFYCKVLA-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520234 814038629 /nfs/dbraw/zinc/03/86/29/814038629.db2.gz VOGAGUHAPIEIMD-SDFYHXNISA-N 1 3 297.399 -0.410 20 0 CBADHO CC(C)[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522099 814038638 /nfs/dbraw/zinc/03/86/38/814038638.db2.gz SEULIIALEQEPML-MBHSVXNSSA-N 1 3 267.373 -0.036 20 0 CBADHO O=C(NCC[NH2+]CC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519625 814038676 /nfs/dbraw/zinc/03/86/76/814038676.db2.gz HXFPCVSCQAEZKH-OWYJLGKBSA-N 1 3 279.384 -0.035 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CCN(CCO)C2)O1 ZINC001131682394 814053996 /nfs/dbraw/zinc/05/39/96/814053996.db2.gz OQKFBVSYQJDSIU-HIFRSBDPSA-N 1 3 299.415 -0.378 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789947 814069552 /nfs/dbraw/zinc/06/95/52/814069552.db2.gz BSRLBCUOKDVESO-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834897 814073551 /nfs/dbraw/zinc/07/35/51/814073551.db2.gz JJUDPOXSQAXLNC-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(N)=O ZINC001131840814 814073636 /nfs/dbraw/zinc/07/36/36/814073636.db2.gz VQWQIYGLPCYARJ-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283832 814120744 /nfs/dbraw/zinc/12/07/44/814120744.db2.gz KWEOXRIXLMGFQT-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284103 814122130 /nfs/dbraw/zinc/12/21/30/814122130.db2.gz WDQBYHOTEGSPLY-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC)C1 ZINC001132737500 814183080 /nfs/dbraw/zinc/18/30/80/814183080.db2.gz NOPIQFLTLZDSQN-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC)C1 ZINC001132737500 814183086 /nfs/dbraw/zinc/18/30/86/814183086.db2.gz NOPIQFLTLZDSQN-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001132882090 814197215 /nfs/dbraw/zinc/19/72/15/814197215.db2.gz AAIBRXLDLIFMMW-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC[N@H+]1C ZINC001132882090 814197218 /nfs/dbraw/zinc/19/72/18/814197218.db2.gz AAIBRXLDLIFMMW-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886087 814198354 /nfs/dbraw/zinc/19/83/54/814198354.db2.gz BXFJFSMCGJIECE-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886087 814198357 /nfs/dbraw/zinc/19/83/57/814198357.db2.gz BXFJFSMCGJIECE-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001132992515 814204663 /nfs/dbraw/zinc/20/46/63/814204663.db2.gz ACYIKKZREGSTCB-UHFFFAOYSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001132993220 814207775 /nfs/dbraw/zinc/20/77/75/814207775.db2.gz OMICBKICYNEEPA-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051990 814211745 /nfs/dbraw/zinc/21/17/45/814211745.db2.gz XFFKQURWKCBOGA-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCC1 ZINC001133040556 814212657 /nfs/dbraw/zinc/21/26/57/814212657.db2.gz WOIDRSZJVQVQON-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001133282079 814235957 /nfs/dbraw/zinc/23/59/57/814235957.db2.gz ZWVWQIRDSGTYTB-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287692 814236284 /nfs/dbraw/zinc/23/62/84/814236284.db2.gz MMEGHHQMNVCONH-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001133419279 814251246 /nfs/dbraw/zinc/25/12/46/814251246.db2.gz KZLRIRZFDSZNKF-CMPLNLGQSA-N 1 3 298.387 -0.916 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(N)=O)[NH+](C)C ZINC001133418949 814251357 /nfs/dbraw/zinc/25/13/57/814251357.db2.gz FTBQRTJZCMUOJP-NXEZZACHSA-N 1 3 258.366 -0.848 20 0 CBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001133415976 814251385 /nfs/dbraw/zinc/25/13/85/814251385.db2.gz XAQSTLXIARDQBI-CQSZACIVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001133418734 814251720 /nfs/dbraw/zinc/25/17/20/814251720.db2.gz FILVLQCFAYHOTA-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCNC1=O)[NH+](C)C ZINC001133415966 814252287 /nfs/dbraw/zinc/25/22/87/814252287.db2.gz WXBPKMBCELYUKV-WDEREUQCSA-N 1 3 270.377 -0.833 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819778 814300426 /nfs/dbraw/zinc/30/04/26/814300426.db2.gz NWZLNIGMTFRROG-NWDGAFQWSA-N 1 3 273.377 -0.816 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133824002 814302133 /nfs/dbraw/zinc/30/21/33/814302133.db2.gz VPJFKRZUZMOUCZ-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133824002 814302143 /nfs/dbraw/zinc/30/21/43/814302143.db2.gz VPJFKRZUZMOUCZ-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845931 814306538 /nfs/dbraw/zinc/30/65/38/814306538.db2.gz QDSTWSWLVGZJNN-ZDUSSCGKSA-N 1 3 287.404 -0.303 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845955 814309045 /nfs/dbraw/zinc/30/90/45/814309045.db2.gz QMFKTSRWTIYAFE-NWDGAFQWSA-N 1 3 273.377 -0.959 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001133853457 814310860 /nfs/dbraw/zinc/31/08/60/814310860.db2.gz KCJWQDLWGKNKFV-LBPRGKRZSA-N 1 3 296.415 -0.440 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001133853457 814310870 /nfs/dbraw/zinc/31/08/70/814310870.db2.gz KCJWQDLWGKNKFV-LBPRGKRZSA-N 1 3 296.415 -0.440 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870149 814316542 /nfs/dbraw/zinc/31/65/42/814316542.db2.gz QQJVFFQQVUNCPB-MNOVXSKESA-N 1 3 270.377 -0.974 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870149 814316552 /nfs/dbraw/zinc/31/65/52/814316552.db2.gz QQJVFFQQVUNCPB-MNOVXSKESA-N 1 3 270.377 -0.974 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)N(C)C ZINC001133968240 814330348 /nfs/dbraw/zinc/33/03/48/814330348.db2.gz SLZAXURYEGMLPW-PWSUYJOCSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001133962707 814330760 /nfs/dbraw/zinc/33/07/60/814330760.db2.gz MMYUTUMSBAWPEL-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001133965812 814331106 /nfs/dbraw/zinc/33/11/06/814331106.db2.gz KQWPKKXJGJPOAX-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001133966053 814332065 /nfs/dbraw/zinc/33/20/65/814332065.db2.gz VRSKAIZJBUEOTD-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134583621 814398029 /nfs/dbraw/zinc/39/80/29/814398029.db2.gz MRAFKHNWHQGKMR-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780330 814413364 /nfs/dbraw/zinc/41/33/64/814413364.db2.gz AXRHACFIHBULDW-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001159925040 815605031 /nfs/dbraw/zinc/60/50/31/815605031.db2.gz NKILWSYQOYLPAR-KOLCDFICSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932365 815606808 /nfs/dbraw/zinc/60/68/08/815606808.db2.gz PTJJTUYRAVDVMU-JQWIXIFHSA-N 1 3 257.378 -0.197 20 0 CBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H](C)C(N)=O)C(C)C ZINC001135474134 814477198 /nfs/dbraw/zinc/47/71/98/814477198.db2.gz HVJOGMLTSZGLPA-NEPJUHHUSA-N 1 3 286.420 -0.068 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135513786 814481462 /nfs/dbraw/zinc/48/14/62/814481462.db2.gz YQHWIKSPVIJJKQ-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135744214 814517626 /nfs/dbraw/zinc/51/76/26/814517626.db2.gz XVNQCIVLWDKIED-WDEREUQCSA-N 1 3 272.393 -0.314 20 0 CBADHO N=c1cc(C[NH3+])ccn1C(=O)C1CCCS1(=O)=O ZINC001143480063 814770524 /nfs/dbraw/zinc/77/05/24/814770524.db2.gz DMFIIMIQTSRUSR-SECBINFHSA-N 1 3 269.326 -0.356 20 0 CBADHO N=c1cc(C[NH3+])ccn1C(=O)C1CCCS1(=O)=O ZINC001143480065 814770614 /nfs/dbraw/zinc/77/06/14/814770614.db2.gz DMFIIMIQTSRUSR-VIFPVBQESA-N 1 3 269.326 -0.356 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H](C)C(N)=O)CC1 ZINC001146376970 814837842 /nfs/dbraw/zinc/83/78/42/814837842.db2.gz QDONHQQKMOMMCL-LLVKDONJSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711044 814843505 /nfs/dbraw/zinc/84/35/05/814843505.db2.gz NNDWANQAASALCL-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711044 814843509 /nfs/dbraw/zinc/84/35/09/814843509.db2.gz NNDWANQAASALCL-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)C ZINC001146704688 814843948 /nfs/dbraw/zinc/84/39/48/814843948.db2.gz GFHUUZYWQGPAHG-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)C ZINC001146704688 814843953 /nfs/dbraw/zinc/84/39/53/814843953.db2.gz GFHUUZYWQGPAHG-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001147877019 814921233 /nfs/dbraw/zinc/92/12/33/814921233.db2.gz CFUIFBIWDYIXPF-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001147877019 814921239 /nfs/dbraw/zinc/92/12/39/814921239.db2.gz CFUIFBIWDYIXPF-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877915 814922716 /nfs/dbraw/zinc/92/27/16/814922716.db2.gz PLTGAYNOAPEBLX-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877915 814922720 /nfs/dbraw/zinc/92/27/20/814922720.db2.gz PLTGAYNOAPEBLX-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CC[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893453 814923950 /nfs/dbraw/zinc/92/39/50/814923950.db2.gz QQEJTYQKSJKDFK-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893453 814923956 /nfs/dbraw/zinc/92/39/56/814923956.db2.gz QQEJTYQKSJKDFK-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147892969 814924009 /nfs/dbraw/zinc/92/40/09/814924009.db2.gz MMZJAJAZYMJEGG-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147892969 814924013 /nfs/dbraw/zinc/92/40/13/814924013.db2.gz MMZJAJAZYMJEGG-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(CN)ncn1 ZINC001159750575 815593285 /nfs/dbraw/zinc/59/32/85/815593285.db2.gz NHKGANPYORKZHJ-NXEZZACHSA-N 1 3 265.317 -0.502 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159917462 815604663 /nfs/dbraw/zinc/60/46/63/815604663.db2.gz WWZCCMURPJGWEX-CQSZACIVSA-N 1 3 298.431 -0.051 20 0 CBADHO COCCN(C(=O)C[C@H](O)C[NH3+])C1CCN(C)CC1 ZINC001160441039 815622011 /nfs/dbraw/zinc/62/20/11/815622011.db2.gz UDBVBHQDNJSXHE-LBPRGKRZSA-N 1 3 273.377 -0.735 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCNC(=O)[C@H]1C ZINC001160450634 815623941 /nfs/dbraw/zinc/62/39/41/815623941.db2.gz GDMPOLPBBOTGON-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO NCc1cc(N[C@@]2(C[NH3+])CN3CCC2CC3)ncn1 ZINC001160510374 815631748 /nfs/dbraw/zinc/63/17/48/815631748.db2.gz HTHUBYVJAVQQEM-ZDUSSCGKSA-N 1 3 262.361 -0.230 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC([NH3+])CC1 ZINC001160514777 815632852 /nfs/dbraw/zinc/63/28/52/815632852.db2.gz ZUWIDPNUESNZET-JQWIXIFHSA-N 1 3 284.404 -0.186 20 0 CBADHO N[C@@H](C(=O)N1CCN(CCF)CC1)C1CC[NH2+]CC1 ZINC001160628804 815645061 /nfs/dbraw/zinc/64/50/61/815645061.db2.gz FPQVDHAWWFAHRG-GFCCVEGCSA-N 1 3 272.368 -0.573 20 0 CBADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160635874 815646677 /nfs/dbraw/zinc/64/66/77/815646677.db2.gz MKIOGVQAKZDMDM-GWCFXTLKSA-N 1 3 271.361 -0.146 20 0 CBADHO CN(C)C1(C)CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001160644509 815650148 /nfs/dbraw/zinc/65/01/48/815650148.db2.gz FETBGTNDRLYDFL-GXFFZTMASA-N 1 3 252.362 -0.900 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649344 815652078 /nfs/dbraw/zinc/65/20/78/815652078.db2.gz IXVPCVXWVJJKHX-GUDRVLHUSA-N 1 3 288.367 -0.626 20 0 CBADHO CN(Cc1ccon1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160688539 815657088 /nfs/dbraw/zinc/65/70/88/815657088.db2.gz QFQVNEBMTKPWPW-NSHDSACASA-N 1 3 252.318 -0.040 20 0 CBADHO CN(Cc1ccon1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160688548 815657292 /nfs/dbraw/zinc/65/72/92/815657292.db2.gz QGGWNLFRDOCRGE-JTQLQIEISA-N 1 3 250.302 -0.558 20 0 CBADHO CCN(CCn1cccn1)C(=O)[C@H](N)CCC[NH3+] ZINC001160694284 815658674 /nfs/dbraw/zinc/65/86/74/815658674.db2.gz UJNSLQQGEVHBRZ-LLVKDONJSA-N 1 3 253.350 -0.202 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705274 815661628 /nfs/dbraw/zinc/66/16/28/815661628.db2.gz MBYRZHXLQDULGD-DTWKUNHWSA-N 1 3 293.289 -0.415 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705275 815662442 /nfs/dbraw/zinc/66/24/42/815662442.db2.gz MBYRZHXLQDULGD-IUCAKERBSA-N 1 3 293.289 -0.415 20 0 CBADHO Nc1cccnc1N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160825980 815674399 /nfs/dbraw/zinc/67/43/99/815674399.db2.gz OSBYKXQSCNVRKB-GFCCVEGCSA-N 1 3 292.387 -0.621 20 0 CBADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160819725 815674572 /nfs/dbraw/zinc/67/45/72/815674572.db2.gz LJFZRIBOAUMZHY-USZNOCQGSA-N 1 3 283.372 -0.147 20 0 CBADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160819726 815674935 /nfs/dbraw/zinc/67/49/35/815674935.db2.gz LJFZRIBOAUMZHY-WHOHXGKFSA-N 1 3 283.372 -0.147 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001160840029 815676434 /nfs/dbraw/zinc/67/64/34/815676434.db2.gz UFXVWMRDATYKLY-LBPRGKRZSA-N 1 3 267.373 -0.225 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCn2nncc2C1 ZINC001160833305 815676611 /nfs/dbraw/zinc/67/66/11/815676611.db2.gz QAGKVRMORPFLAZ-JTQLQIEISA-N 1 3 252.322 -0.923 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@@H]21 ZINC001160877943 815683922 /nfs/dbraw/zinc/68/39/22/815683922.db2.gz HFTDDPOHZUQCHT-KXNHARMFSA-N 1 3 293.367 -0.937 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001160883687 815685852 /nfs/dbraw/zinc/68/58/52/815685852.db2.gz TWKHBVDJPMYTHW-GFCCVEGCSA-N 1 3 282.392 -0.249 20 0 CBADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160941569 815689926 /nfs/dbraw/zinc/68/99/26/815689926.db2.gz MWQJDHBALCDSFL-CABZTGNLSA-N 1 3 268.361 -0.998 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972658 815692509 /nfs/dbraw/zinc/69/25/09/815692509.db2.gz RNIDGHYCKONSCZ-MPSDLYAZSA-N 1 3 283.344 -0.723 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001161031684 815699546 /nfs/dbraw/zinc/69/95/46/815699546.db2.gz JFUUNYARCQZBNQ-VIFPVBQESA-N 1 3 290.458 -0.470 20 0 CBADHO CN(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058170 815704785 /nfs/dbraw/zinc/70/47/85/815704785.db2.gz PAFNLCLFOFLEMV-HBNTYKKESA-N 1 3 285.392 -0.510 20 0 CBADHO CN(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058169 815705656 /nfs/dbraw/zinc/70/56/56/815705656.db2.gz PAFNLCLFOFLEMV-GMTAPVOTSA-N 1 3 285.392 -0.510 20 0 CBADHO CN(C(=O)[C@@H](N)Cc1cncn1C)C1(C)CC[NH2+]CC1 ZINC001161067122 815707172 /nfs/dbraw/zinc/70/71/72/815707172.db2.gz FJJMYNPOUNJABS-LBPRGKRZSA-N 1 3 279.388 -0.110 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161131083 815719107 /nfs/dbraw/zinc/71/91/07/815719107.db2.gz NQEXJPQYALGXKC-NWDGAFQWSA-N 1 3 270.377 -0.478 20 0 CBADHO CO[C@@H](C)C1CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161145459 815721914 /nfs/dbraw/zinc/72/19/14/815721914.db2.gz DPRSEKYXTKGUJX-WPRPVWTQSA-N 1 3 261.391 -0.501 20 0 CBADHO CO[C@H](C)C1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161145736 815722424 /nfs/dbraw/zinc/72/24/24/815722424.db2.gz HUKPGJQDWLXEDZ-SKDRFNHKSA-N 1 3 255.362 -0.193 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H](C)CO1 ZINC001161235453 815731534 /nfs/dbraw/zinc/73/15/34/815731534.db2.gz ROQAEFMPCCQUSY-AXFHLTTASA-N 1 3 253.346 -0.569 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@@H](C)CO1 ZINC001161235454 815732147 /nfs/dbraw/zinc/73/21/47/815732147.db2.gz ROQAEFMPCCQUSY-HBNTYKKESA-N 1 3 253.346 -0.569 20 0 CBADHO Cc1ccnc(N2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)n1 ZINC001161298601 815738244 /nfs/dbraw/zinc/73/82/44/815738244.db2.gz NKMWAXUQLZTFHA-LBPRGKRZSA-N 1 3 292.387 -0.500 20 0 CBADHO CCN(C(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1CCC[NH2+]C1 ZINC001161329188 815741445 /nfs/dbraw/zinc/74/14/45/815741445.db2.gz WHCTXJHKBMLQBN-RYUDHWBXSA-N 1 3 265.361 -0.120 20 0 CBADHO CCN(C(=O)[C@H](N)CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161333608 815742670 /nfs/dbraw/zinc/74/26/70/815742670.db2.gz VIPCCAQDXKXNTG-WDEREUQCSA-N 1 3 285.392 -0.637 20 0 CBADHO NC(C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377559 815748336 /nfs/dbraw/zinc/74/83/36/815748336.db2.gz HPXLRDRQVBNRAR-VHSXEESVSA-N 1 3 294.321 -0.100 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416949 815754246 /nfs/dbraw/zinc/75/42/46/815754246.db2.gz NMJMZFXVQUKFOY-NSHDSACASA-N 1 3 282.388 -0.286 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@@H]1C ZINC001161459779 815757406 /nfs/dbraw/zinc/75/74/06/815757406.db2.gz VDMKGHTXFSCEKF-GARJFASQSA-N 1 3 281.356 -0.937 20 0 CBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](C)N)CC2 ZINC001161478204 815758475 /nfs/dbraw/zinc/75/84/75/815758475.db2.gz LJBSZEKKRMDKTH-PTRXPTGYSA-N 1 3 255.318 -0.913 20 0 CBADHO CC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161525956 815766223 /nfs/dbraw/zinc/76/62/23/815766223.db2.gz GHRPNQDKSUAFQS-RYUDHWBXSA-N 1 3 253.346 -0.107 20 0 CBADHO CC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161525955 815766263 /nfs/dbraw/zinc/76/62/63/815766263.db2.gz GHRPNQDKSUAFQS-NWDGAFQWSA-N 1 3 253.346 -0.107 20 0 CBADHO COC(=O)[C@H]1CCN(CC(=O)N2CC[NH2+]C3(CC3)C2)C1 ZINC001161550236 815770426 /nfs/dbraw/zinc/77/04/26/815770426.db2.gz FFYWXYZWDRTUSO-NSHDSACASA-N 1 3 281.356 -0.554 20 0 CBADHO NCc1cn(-c2nccnc2N2CC[NH2+]CC2)cn1 ZINC001162294150 815810431 /nfs/dbraw/zinc/81/04/31/815810431.db2.gz OXONKZGUZBTBBI-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872639 815847238 /nfs/dbraw/zinc/84/72/38/815847238.db2.gz ZCKDZTRRFPURKS-KLNSDEMFSA-N 1 3 297.399 -0.674 20 0 CBADHO O=c1[nH]cc2[nH]c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc1-2 ZINC001163094293 815858653 /nfs/dbraw/zinc/85/86/53/815858653.db2.gz KRILVDRRKZVJPB-HLUHBDAQSA-N 1 3 274.324 -0.029 20 0 CBADHO CN1CCOc2c1cnnc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163192973 815865465 /nfs/dbraw/zinc/86/54/65/815865465.db2.gz HSTDGEQRPYSIMC-NOZJJQNGSA-N 1 3 277.328 -0.152 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3c(n2)CNCC3)N1 ZINC001163239989 815869702 /nfs/dbraw/zinc/86/97/02/815869702.db2.gz WWEXIHCGWYDLNV-BXUZGUMPSA-N 1 3 273.340 -0.283 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CCC[NH+](C)C)C1 ZINC001293072323 816500830 /nfs/dbraw/zinc/50/08/30/816500830.db2.gz XZZABBYSALLUCV-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304083879 816778877 /nfs/dbraw/zinc/77/88/77/816778877.db2.gz KRKXHNFCHDXDAU-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1CCO ZINC001316790421 816878910 /nfs/dbraw/zinc/87/89/10/816878910.db2.gz CZKDDMZBVTYHKO-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317067118 816926861 /nfs/dbraw/zinc/92/68/61/816926861.db2.gz NDEQLVJOYAQGPZ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001317244937 816949249 /nfs/dbraw/zinc/94/92/49/816949249.db2.gz FPVWOSANNYLWPZ-WDEREUQCSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCO ZINC001317407956 816973875 /nfs/dbraw/zinc/97/38/75/816973875.db2.gz ZUTXBIZZPSODCL-RYUDHWBXSA-N 1 3 257.378 -0.195 20 0 CBADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317662612 817042532 /nfs/dbraw/zinc/04/25/32/817042532.db2.gz ZGNCIJQWXBROTJ-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317662612 817042538 /nfs/dbraw/zinc/04/25/38/817042538.db2.gz ZGNCIJQWXBROTJ-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CCNCC(N)=O)C(=O)CC[NH+]1CCCCC1 ZINC001317668860 817044051 /nfs/dbraw/zinc/04/40/51/817044051.db2.gz DOZMKVTUXRHCPO-UHFFFAOYSA-N 1 3 270.377 -0.604 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318168801 817083180 /nfs/dbraw/zinc/08/31/80/817083180.db2.gz IVSKVMLPAKIFRN-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318168801 817083186 /nfs/dbraw/zinc/08/31/86/817083186.db2.gz IVSKVMLPAKIFRN-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H](C[NH2+]CCCO)N(C)C(=O)CN1CCCC1 ZINC001319575148 817220895 /nfs/dbraw/zinc/22/08/95/817220895.db2.gz UNVUMIIAMXNAON-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(C)C ZINC001320218728 817295622 /nfs/dbraw/zinc/29/56/22/817295622.db2.gz UKTGAGZDHHZJLA-NWDGAFQWSA-N 1 3 257.378 -0.054 20 0 CBADHO CCCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320922605 817410722 /nfs/dbraw/zinc/41/07/22/817410722.db2.gz VADURQUYWIJIHL-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320922605 817410728 /nfs/dbraw/zinc/41/07/28/817410728.db2.gz VADURQUYWIJIHL-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321083131 817438766 /nfs/dbraw/zinc/43/87/66/817438766.db2.gz HEDGQVVJJNZSBA-OEFFGFFESA-N 1 3 296.415 -0.003 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321083131 817438771 /nfs/dbraw/zinc/43/87/71/817438771.db2.gz HEDGQVVJJNZSBA-OEFFGFFESA-N 1 3 296.415 -0.003 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001321083129 817438865 /nfs/dbraw/zinc/43/88/65/817438865.db2.gz HEDGQVVJJNZSBA-IJWDBEHRSA-N 1 3 296.415 -0.003 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001321083129 817438871 /nfs/dbraw/zinc/43/88/71/817438871.db2.gz HEDGQVVJJNZSBA-IJWDBEHRSA-N 1 3 296.415 -0.003 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321334690 817484316 /nfs/dbraw/zinc/48/43/16/817484316.db2.gz CJQGUWANEGQZOQ-WWKJKZQJSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321334690 817484321 /nfs/dbraw/zinc/48/43/21/817484321.db2.gz CJQGUWANEGQZOQ-WWKJKZQJSA-N 1 3 296.415 -0.275 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001188985835 823727365 /nfs/dbraw/zinc/72/73/65/823727365.db2.gz UKRHREMGTPKBQZ-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001221010314 825134999 /nfs/dbraw/zinc/13/49/99/825134999.db2.gz FHMCDGQWZOBABF-GUBZILKMSA-N 1 3 261.391 -0.311 20 0 CBADHO NCCS(=O)(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC001239162087 825595095 /nfs/dbraw/zinc/59/50/95/825595095.db2.gz UITSNIXDJPECSB-UHFFFAOYSA-N 1 3 261.391 -0.119 20 0 CBADHO CC[NH+](CC)C[C@H](O)CNCCc1n[nH]c(C)n1 ZINC001253209129 825905553 /nfs/dbraw/zinc/90/55/53/825905553.db2.gz XZCSCFPKOKWHPL-LLVKDONJSA-N 1 3 255.366 -0.052 20 0 CBADHO CC[NH+](CC)C[C@H](O)CNCCc1nc(C)n[nH]1 ZINC001253209129 825905560 /nfs/dbraw/zinc/90/55/60/825905560.db2.gz XZCSCFPKOKWHPL-LLVKDONJSA-N 1 3 255.366 -0.052 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]C[C@H]1CCC(=O)N1C ZINC001253209128 825905945 /nfs/dbraw/zinc/90/59/45/825905945.db2.gz XXSGFEQWKFMJQT-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267225944 827132340 /nfs/dbraw/zinc/13/23/40/827132340.db2.gz IOHNYXQMYTXBMB-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267225944 827132347 /nfs/dbraw/zinc/13/23/47/827132347.db2.gz IOHNYXQMYTXBMB-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO Cc1nc(N(C)C)cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165282404 819945857 /nfs/dbraw/zinc/94/58/57/819945857.db2.gz ZVWVXMJMJGOMRU-RISCZKNCSA-N 1 3 277.372 -0.131 20 0 CBADHO NCc1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ncn1 ZINC001165288820 819949470 /nfs/dbraw/zinc/94/94/70/819949470.db2.gz SRRORCFINVFGSN-ZYHUDNBSSA-N 1 3 263.345 -0.250 20 0 CBADHO c1c2c(nnc1N1CCOCC13C[NH2+]C3)CCNC2 ZINC001165289056 819949563 /nfs/dbraw/zinc/94/95/63/819949563.db2.gz WZWOVNDKXCWTLI-UHFFFAOYSA-N 1 3 261.329 -0.699 20 0 CBADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001165484369 819968720 /nfs/dbraw/zinc/96/87/20/819968720.db2.gz CSVZIIJONUTLSE-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010150 819990171 /nfs/dbraw/zinc/99/01/71/819990171.db2.gz ISTMKOOGCHBDAQ-NWDGAFQWSA-N 1 3 286.420 -0.197 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166626456 820008223 /nfs/dbraw/zinc/00/82/23/820008223.db2.gz GTVUJBJUUCRWRR-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCOCCO ZINC001166627058 820008467 /nfs/dbraw/zinc/00/84/67/820008467.db2.gz OWRKYVVBXZKQCA-CYBMUJFWSA-N 1 3 287.404 -0.425 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634874 820008916 /nfs/dbraw/zinc/00/89/16/820008916.db2.gz WVUXBQVPZSDKJP-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627116 820009896 /nfs/dbraw/zinc/00/98/96/820009896.db2.gz QGBOHSCJJFQEBP-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166634173 820010232 /nfs/dbraw/zinc/01/02/32/820010232.db2.gz PZHMJVNTLFLRJY-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCO ZINC001166626826 820010486 /nfs/dbraw/zinc/01/04/86/820010486.db2.gz KKMAENZLCWWQSB-GFCCVEGCSA-N 1 3 257.378 -0.051 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001166626161 820010751 /nfs/dbraw/zinc/01/07/51/820010751.db2.gz BVDLXVPFDQPSND-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166678110 820013326 /nfs/dbraw/zinc/01/33/26/820013326.db2.gz SBVVORDMJUSAIH-ZDUSSCGKSA-N 1 3 294.403 -0.284 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668092 820013823 /nfs/dbraw/zinc/01/38/23/820013823.db2.gz QLSAHOUCIYLJLL-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667403 820013969 /nfs/dbraw/zinc/01/39/69/820013969.db2.gz AKLRTPIFDNPFML-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166667600 820015157 /nfs/dbraw/zinc/01/51/57/820015157.db2.gz DNYOPCPTBXLEDW-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001166678509 820015664 /nfs/dbraw/zinc/01/56/64/820015664.db2.gz WAJOAFPCXOWWHH-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001166744525 820035784 /nfs/dbraw/zinc/03/57/84/820035784.db2.gz YMMBKTYXHYLDDL-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001166858595 820041655 /nfs/dbraw/zinc/04/16/55/820041655.db2.gz WVELMQHRNAFUKX-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001166857670 820042785 /nfs/dbraw/zinc/04/27/85/820042785.db2.gz FXZQNNBKYCHQOY-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)N(C)C ZINC001166865113 820042869 /nfs/dbraw/zinc/04/28/69/820042869.db2.gz AFYVVGWCKACEHS-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc2c(n1)CCNC2 ZINC001166961505 820054012 /nfs/dbraw/zinc/05/40/12/820054012.db2.gz MCAUIWHHEXVRMP-KOLCDFICSA-N 1 3 277.328 -0.799 20 0 CBADHO Cc1cnc(N(C2CNC2)S(C)(=O)=O)nc1C1C[NH2+]C1 ZINC001166972827 820059253 /nfs/dbraw/zinc/05/92/53/820059253.db2.gz ZRTGLOIYGHTOIZ-UHFFFAOYSA-N 1 3 297.384 -0.790 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168754902 820174766 /nfs/dbraw/zinc/17/47/66/820174766.db2.gz DKAQSNZGUVVSBT-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN(CC)CC)C(N)=O ZINC001168763931 820179857 /nfs/dbraw/zinc/17/98/57/820179857.db2.gz VEJQVZXZPCMHIA-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001168764308 820181088 /nfs/dbraw/zinc/18/10/88/820181088.db2.gz YAUYMLOSBVLXTR-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO COc1c(C2C[NH2+]C2)ncnc1-n1nncc1CN ZINC001169311472 820225758 /nfs/dbraw/zinc/22/57/58/820225758.db2.gz WXODZLHVAVQHLM-UHFFFAOYSA-N 1 3 261.289 -0.789 20 0 CBADHO NCc1cnnn1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001169312026 820228437 /nfs/dbraw/zinc/22/84/37/820228437.db2.gz YJFWWFXCYBMEPD-VIFPVBQESA-N 1 3 284.327 -0.154 20 0 CBADHO NCc1cc(NCCOCCOCC[NH3+])ccn1 ZINC001170511202 820297226 /nfs/dbraw/zinc/29/72/26/820297226.db2.gz MOLBRNUKBIWPGF-UHFFFAOYSA-N 1 3 254.334 -0.056 20 0 CBADHO OC[C@H]1C[NH2+]C[C@H]1Nc1ccc2c(n1)OCCNC2 ZINC001170772702 820316401 /nfs/dbraw/zinc/31/64/01/820316401.db2.gz DJLNBYJZBNIFRM-GHMZBOCLSA-N 1 3 264.329 -0.444 20 0 CBADHO OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)ccn1 ZINC001170772418 820317173 /nfs/dbraw/zinc/31/71/73/820317173.db2.gz CIXMSRBINSIIJN-DGCLKSJQSA-N 1 3 278.356 -0.090 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001171763331 820368702 /nfs/dbraw/zinc/36/87/02/820368702.db2.gz ZDRWSOCOLYPBNL-LBPRGKRZSA-N 1 3 275.393 -0.569 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN(C)CCC ZINC001171762565 820369081 /nfs/dbraw/zinc/36/90/81/820369081.db2.gz GHIMWMHAJGNKHJ-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001171762749 820369329 /nfs/dbraw/zinc/36/93/29/820369329.db2.gz JJLINMHYTBHHFY-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001171762351 820369887 /nfs/dbraw/zinc/36/98/87/820369887.db2.gz AGXQMYADKPYHQQ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001171758362 820370186 /nfs/dbraw/zinc/37/01/86/820370186.db2.gz ZJMKWCSZNUEDJH-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001171762993 820370261 /nfs/dbraw/zinc/37/02/61/820370261.db2.gz PKWUCFDGVFVUDO-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001171757950 820370857 /nfs/dbraw/zinc/37/08/57/820370857.db2.gz QEJNKUBWLMKINO-UHFFFAOYSA-N 1 3 282.392 -0.247 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)C(=O)NCC(N)=O ZINC001172111267 820381110 /nfs/dbraw/zinc/38/11/10/820381110.db2.gz PELDXUSOJDJDQA-YFKTTZPYSA-N 1 3 282.388 -0.419 20 0 CBADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108216 820382173 /nfs/dbraw/zinc/38/21/73/820382173.db2.gz SFKRMYNBECQYJA-XMUPMEPVSA-N 1 3 284.400 -0.306 20 0 CBADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108216 820382179 /nfs/dbraw/zinc/38/21/79/820382179.db2.gz SFKRMYNBECQYJA-XMUPMEPVSA-N 1 3 284.400 -0.306 20 0 CBADHO COCCC[NH+]1CCC(NC[C@H]2CNC(=O)CO2)CC1 ZINC001172247201 820391925 /nfs/dbraw/zinc/39/19/25/820391925.db2.gz JUJGFYBOMZDZTB-ZDUSSCGKSA-N 1 3 285.388 -0.408 20 0 CBADHO COCCCN1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001172243947 820392189 /nfs/dbraw/zinc/39/21/89/820392189.db2.gz JTFXLWDNMFYVKK-UHFFFAOYSA-N 1 3 299.415 -0.064 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176971710 820483930 /nfs/dbraw/zinc/48/39/30/820483930.db2.gz FYQHYBCYHVISPM-SNVBAGLBSA-N 1 3 258.366 -0.704 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971512 820484178 /nfs/dbraw/zinc/48/41/78/820484178.db2.gz AUXNZPYPCHZBCA-UHFFFAOYSA-N 1 3 258.366 -0.832 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001176986370 820484349 /nfs/dbraw/zinc/48/43/49/820484349.db2.gz LXTLQKDUROQENI-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001176980621 820485057 /nfs/dbraw/zinc/48/50/57/820485057.db2.gz LZHLJSFZISXYAH-UHFFFAOYSA-N 1 3 282.392 -0.249 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176986676 820486657 /nfs/dbraw/zinc/48/66/57/820486657.db2.gz SDFKYPGMRSFRSW-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176986673 820486830 /nfs/dbraw/zinc/48/68/30/820486830.db2.gz SDFKYPGMRSFRSW-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902309 820604066 /nfs/dbraw/zinc/60/40/66/820604066.db2.gz KNVDJWASPFYTAJ-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008762 820614643 /nfs/dbraw/zinc/61/46/43/820614643.db2.gz RGYCSCGGVZHXON-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CC(C)(C)[NH2+]CC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008936 820614961 /nfs/dbraw/zinc/61/49/61/820614961.db2.gz VHEGGQNEASDOPF-JTQLQIEISA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435236 820626944 /nfs/dbraw/zinc/62/69/44/820626944.db2.gz OIRQNURPVOGYLS-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486082 820630225 /nfs/dbraw/zinc/63/02/25/820630225.db2.gz HHKSEWFHEPZYOR-SRVKXCTJSA-N 1 3 284.404 -0.348 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472424 820630667 /nfs/dbraw/zinc/63/06/67/820630667.db2.gz MGFAVQICFCXGGU-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179986880 820646991 /nfs/dbraw/zinc/64/69/91/820646991.db2.gz FPJMGNZYOBWLPL-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179982861 820647636 /nfs/dbraw/zinc/64/76/36/820647636.db2.gz FLGAADXUPBWFNQ-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179982713 820647819 /nfs/dbraw/zinc/64/78/19/820647819.db2.gz DHYIPQWKFYXSLE-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131759 820652396 /nfs/dbraw/zinc/65/23/96/820652396.db2.gz KNFZEQSTCQIIHP-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)C1=NNC(=O)CC1 ZINC001180262744 820664036 /nfs/dbraw/zinc/66/40/36/820664036.db2.gz IQGVSFJAKWDMHC-UHFFFAOYSA-N 1 3 282.348 -0.684 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CC(=O)OC ZINC001181389819 820784484 /nfs/dbraw/zinc/78/44/84/820784484.db2.gz GZSMEFQDHSVNLZ-UHFFFAOYSA-N 1 3 258.322 -0.387 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])C(=O)C12CCN(CC1)CC2 ZINC001181544983 820794910 /nfs/dbraw/zinc/79/49/10/820794910.db2.gz BVNYHBOJZQZKQM-UHFFFAOYSA-N 1 3 275.374 -0.781 20 0 CBADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651293 820807408 /nfs/dbraw/zinc/80/74/08/820807408.db2.gz AKJASYLYCNUSGG-ZIAGYGMSSA-N 1 3 299.415 -0.066 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]21 ZINC001182032772 820856111 /nfs/dbraw/zinc/85/61/11/820856111.db2.gz IWESFODNXYESKG-CHWSQXEVSA-N 1 3 281.400 -0.004 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@@H]21 ZINC001182032778 820856307 /nfs/dbraw/zinc/85/63/07/820856307.db2.gz IWESFODNXYESKG-STQMWFEESA-N 1 3 281.400 -0.004 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676957 820936162 /nfs/dbraw/zinc/93/61/62/820936162.db2.gz SYKHDLUTJVENLX-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676957 820936167 /nfs/dbraw/zinc/93/61/67/820936167.db2.gz SYKHDLUTJVENLX-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267286 820985663 /nfs/dbraw/zinc/98/56/63/820985663.db2.gz MAAPQEAEMPFYMV-OCCSQVGLSA-N 1 3 296.415 -0.347 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289462 820989847 /nfs/dbraw/zinc/98/98/47/820989847.db2.gz YURGNVBOSSFAGZ-TZMCWYRMSA-N 1 3 299.415 -0.332 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581216 821007890 /nfs/dbraw/zinc/00/78/90/821007890.db2.gz GGORRDXTKKCFCY-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])C(=O)C12CCCN1CCC2 ZINC001183554317 821008202 /nfs/dbraw/zinc/00/82/02/821008202.db2.gz AGIOMIKSDNARFY-UHFFFAOYSA-N 1 3 275.374 -0.638 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185213222 821103850 /nfs/dbraw/zinc/10/38/50/821103850.db2.gz JRMFDKJKLXEFRM-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001185249425 821111354 /nfs/dbraw/zinc/11/13/54/821111354.db2.gz XCMCBKJXWSPNMM-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001185415736 821128768 /nfs/dbraw/zinc/12/87/68/821128768.db2.gz GVWGDEUQXKFOSD-LLVKDONJSA-N 1 3 280.376 -0.245 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001185408218 821129232 /nfs/dbraw/zinc/12/92/32/821129232.db2.gz OMMPUZVSPRZMGR-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185763294 821139838 /nfs/dbraw/zinc/13/98/38/821139838.db2.gz RYEWTHSHBCWINI-STQMWFEESA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001185706286 821140494 /nfs/dbraw/zinc/14/04/94/821140494.db2.gz LDKFONCWFIOSNH-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)N(C)C ZINC001185716378 821140623 /nfs/dbraw/zinc/14/06/23/821140623.db2.gz VRUDFASRFSJKBH-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185763293 821141028 /nfs/dbraw/zinc/14/10/28/821141028.db2.gz RYEWTHSHBCWINI-QWHCGFSZSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001186834085 821200703 /nfs/dbraw/zinc/20/07/03/821200703.db2.gz LGZRZPQSMNEQMK-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001186834085 821200712 /nfs/dbraw/zinc/20/07/12/821200712.db2.gz LGZRZPQSMNEQMK-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001280263760 828347889 /nfs/dbraw/zinc/34/78/89/828347889.db2.gz LTFBYYAKLPQQOK-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001187276440 822263337 /nfs/dbraw/zinc/26/33/37/822263337.db2.gz JSQZHUSRQQIDNZ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001187276440 822263345 /nfs/dbraw/zinc/26/33/45/822263345.db2.gz JSQZHUSRQQIDNZ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001187291089 822264173 /nfs/dbraw/zinc/26/41/73/822264173.db2.gz HEAHKPXUXHNQPK-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187306232 822265798 /nfs/dbraw/zinc/26/57/98/822265798.db2.gz HCAOJQDMLXQEGQ-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(CC(=O)NC1(C[NH2+]CCO)CCOCC1)C1CCC1 ZINC001281238929 828408951 /nfs/dbraw/zinc/40/89/51/828408951.db2.gz IYYFBUKJTSDCHM-UHFFFAOYSA-N 1 3 299.415 -0.282 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001187329320 822269242 /nfs/dbraw/zinc/26/92/42/822269242.db2.gz PLLXIDFRJZKVOV-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834470 822297420 /nfs/dbraw/zinc/29/74/20/822297420.db2.gz DCYHTPWACQIEPL-GFCCVEGCSA-N 1 3 282.388 -0.639 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843138 822300051 /nfs/dbraw/zinc/30/00/51/822300051.db2.gz VDBJNEBKVXCLIX-OLZOCXBDSA-N 1 3 285.388 -0.720 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001283084980 828495674 /nfs/dbraw/zinc/49/56/74/828495674.db2.gz BAVNCVJPEKVSLB-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(=O)n(C)n1 ZINC001189501536 823764829 /nfs/dbraw/zinc/76/48/29/823764829.db2.gz HURRKKLMHSYLIT-UHFFFAOYSA-N 1 3 294.359 -0.542 20 0 CBADHO COc1cc(C(=O)N(CCCC[NH3+])C(=N)N)n(C)n1 ZINC001194749036 824087874 /nfs/dbraw/zinc/08/78/74/824087874.db2.gz OVVAURLQSWSKMH-UHFFFAOYSA-N 1 3 268.321 -0.497 20 0 CBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001197826410 824202881 /nfs/dbraw/zinc/20/28/81/824202881.db2.gz VZPMWXCYHPLYIF-ZIAGYGMSSA-N 1 3 299.415 -0.474 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696172 824324539 /nfs/dbraw/zinc/32/45/39/824324539.db2.gz JIFGAQRZCYYKEO-UONOGXRCSA-N 1 3 299.415 -0.474 20 0 CBADHO COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201484721 824333508 /nfs/dbraw/zinc/33/35/08/824333508.db2.gz ZCGNARCUQNVTMW-ZDUSSCGKSA-N 1 3 296.371 -0.194 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201493765 824333794 /nfs/dbraw/zinc/33/37/94/824333794.db2.gz JXIBMONXLVFAIJ-GFCCVEGCSA-N 1 3 282.344 -0.848 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791237 824363271 /nfs/dbraw/zinc/36/32/71/824363271.db2.gz FOZVYBUUADLKTA-RYUDHWBXSA-N 1 3 296.415 -0.171 20 0 CBADHO Cn1cc(CN2CCC[C@@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001205116786 824374319 /nfs/dbraw/zinc/37/43/19/824374319.db2.gz IFDLMOIOEGZMBJ-LLVKDONJSA-N 1 3 266.345 -0.603 20 0 CBADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(=O)[nH]n2)CC1 ZINC001205242211 824376417 /nfs/dbraw/zinc/37/64/17/824376417.db2.gz XSBIEKDLFPOQIT-LBPRGKRZSA-N 1 3 252.318 -0.142 20 0 CBADHO [NH3+]C[C@@]1(O)CCCN(CC2C(=O)N=CNC2=O)CC1 ZINC001205230698 824376864 /nfs/dbraw/zinc/37/68/64/824376864.db2.gz UEEJWSXARNDIEI-GFCCVEGCSA-N 1 3 268.317 -0.437 20 0 CBADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001206300888 824395615 /nfs/dbraw/zinc/39/56/15/824395615.db2.gz FWQQJYIOTVJATQ-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO NC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401990 824398679 /nfs/dbraw/zinc/39/86/79/824398679.db2.gz JLBIXXRDWOFGBM-UHFFFAOYSA-N 1 3 279.344 -0.734 20 0 CBADHO CC(=O)N1CCC[C@H](CN2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206512583 824401671 /nfs/dbraw/zinc/40/16/71/824401671.db2.gz PWVFTHPAVSFCHQ-AGIUHOORSA-N 1 3 255.362 -0.504 20 0 CBADHO Cn1cc(CN2CCCC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206633085 824404557 /nfs/dbraw/zinc/40/45/57/824404557.db2.gz SQZZUZJSPWIFEC-LLVKDONJSA-N 1 3 280.372 -0.355 20 0 CBADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCO)CC1 ZINC001206929192 824413409 /nfs/dbraw/zinc/41/34/09/824413409.db2.gz YCKOFKIZJRLIDJ-UHFFFAOYSA-N 1 3 269.389 -0.097 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684269 824433898 /nfs/dbraw/zinc/43/38/98/824433898.db2.gz LYZANHRNYADXIW-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208337297 824451102 /nfs/dbraw/zinc/45/11/02/824451102.db2.gz IWLKKJMFMQYGAT-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373312 824452251 /nfs/dbraw/zinc/45/22/51/824452251.db2.gz HYCILFFLXMHZGC-JSGCOSHPSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496305 824455356 /nfs/dbraw/zinc/45/53/56/824455356.db2.gz PDDRKICTNZHFET-CHWSQXEVSA-N 1 3 294.403 -0.334 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001209323982 824468434 /nfs/dbraw/zinc/46/84/34/824468434.db2.gz NRMNYCADZKPNEX-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001209322919 824468938 /nfs/dbraw/zinc/46/89/38/824468938.db2.gz BORMYRMSPDFPLZ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001209420224 824471300 /nfs/dbraw/zinc/47/13/00/824471300.db2.gz SRHDXWHPCOIUMW-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484383 824472057 /nfs/dbraw/zinc/47/20/57/824472057.db2.gz HYCILFFLXMHZGC-TZMCWYRMSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209641336 824474310 /nfs/dbraw/zinc/47/43/10/824474310.db2.gz IPWRGQLMTDITFK-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210217517 824478039 /nfs/dbraw/zinc/47/80/39/824478039.db2.gz JRYHDLGDZZFZHX-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674445 824480538 /nfs/dbraw/zinc/48/05/38/824480538.db2.gz WHFJKNUTPNAJEN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674445 824480543 /nfs/dbraw/zinc/48/05/43/824480543.db2.gz WHFJKNUTPNAJEN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674134 824480612 /nfs/dbraw/zinc/48/06/12/824480612.db2.gz NWTZIMXEAMSHGJ-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO NC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229288 824483806 /nfs/dbraw/zinc/48/38/06/824483806.db2.gz SGRRMOBAUQIMIR-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904971 824537205 /nfs/dbraw/zinc/53/72/05/824537205.db2.gz SEBKKLMRHYSGGY-BZPMIXESSA-N 1 3 298.431 -0.245 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421775 824542231 /nfs/dbraw/zinc/54/22/31/824542231.db2.gz LNKVWXCKKIWLDX-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001215463426 824542408 /nfs/dbraw/zinc/54/24/08/824542408.db2.gz WOAXACOHECJBQL-FRRDWIJNSA-N 1 3 296.415 -0.395 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001215994322 824545122 /nfs/dbraw/zinc/54/51/22/824545122.db2.gz ZZUHUJVVONDCQX-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216515965 824548184 /nfs/dbraw/zinc/54/81/84/824548184.db2.gz WDVPAEXMZZFWSE-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C(OC[C@H]1CNCCO1)[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822091 824562573 /nfs/dbraw/zinc/56/25/73/824562573.db2.gz KGXBENBJLBDTGN-LPWJVIDDSA-N 1 3 256.346 -0.242 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc1 ZINC001218332734 824566492 /nfs/dbraw/zinc/56/64/92/824566492.db2.gz AVYZAJAWGRPROJ-STQMWFEESA-N 1 3 261.325 -0.052 20 0 CBADHO Cc1cnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1C ZINC001218498229 824569986 /nfs/dbraw/zinc/56/99/86/824569986.db2.gz WULUCEPLNRZDSL-JTQLQIEISA-N 1 3 261.329 -0.159 20 0 CBADHO COc1ccnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218528797 824584447 /nfs/dbraw/zinc/58/44/47/824584447.db2.gz SORUQSSFGAAMOR-JTQLQIEISA-N 1 3 262.313 -0.162 20 0 CBADHO N=c1scc(N)n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218542691 824588173 /nfs/dbraw/zinc/58/81/73/824588173.db2.gz ZEUSJVVJANCHHC-RDDDGLTNSA-N 1 3 267.358 -0.549 20 0 CBADHO Cc1nc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc(=O)[n-]1 ZINC001218565362 824593446 /nfs/dbraw/zinc/59/34/46/824593446.db2.gz VEWBQWKJSITYNO-NSHDSACASA-N 1 3 265.317 -0.244 20 0 CBADHO COC(=O)c1cc(C)cnc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218578548 824597657 /nfs/dbraw/zinc/59/76/57/824597657.db2.gz KZWVZHNRKGEGSV-SCZZXKLOSA-N 1 3 278.312 -0.196 20 0 CBADHO COc1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218590289 824600021 /nfs/dbraw/zinc/60/00/21/824600021.db2.gz NMZJTNURHOHPLT-NOZJJQNGSA-N 1 3 277.328 -0.377 20 0 CBADHO Cn1ncc2cc(NC(=O)[C@H](N)CCC[NH3+])cnc21 ZINC001218614153 824602899 /nfs/dbraw/zinc/60/28/99/824602899.db2.gz DQNUBBNGUAURHZ-SNVBAGLBSA-N 1 3 262.317 -0.027 20 0 CBADHO O=C(Nc1cnc2n[nH]cc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218614748 824602964 /nfs/dbraw/zinc/60/29/64/824602964.db2.gz NQWYLIYYOWFYRV-SNVBAGLBSA-N 1 3 272.312 -0.295 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@@H](N)CCCC[NH3+])ncn1 ZINC001218609979 824603497 /nfs/dbraw/zinc/60/34/97/824603497.db2.gz LXQVLFNFSVTGMI-VIFPVBQESA-N 1 3 280.332 -0.170 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nccnc1C(N)=O ZINC001218617763 824604288 /nfs/dbraw/zinc/60/42/88/824604288.db2.gz KUJNDLCSBVNLSH-VIFPVBQESA-N 1 3 294.359 -0.427 20 0 CBADHO Cn1ncc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cnc21 ZINC001218615179 824604508 /nfs/dbraw/zinc/60/45/08/824604508.db2.gz MCAUDTXJHFMTLK-LLVKDONJSA-N 1 3 286.339 -0.284 20 0 CBADHO Cn1ncc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cnc21 ZINC001218615180 824604661 /nfs/dbraw/zinc/60/46/61/824604661.db2.gz MCAUDTXJHFMTLK-NSHDSACASA-N 1 3 286.339 -0.284 20 0 CBADHO CCOc1cnc(NC(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001218620388 824605843 /nfs/dbraw/zinc/60/58/43/824605843.db2.gz LNWZZVGBWNDXOG-QMMMGPOBSA-N 1 3 253.306 -0.120 20 0 CBADHO O=C(Nc1ccnc2c1CCC2)[C@H]1C[NH2+]CC12CNC2 ZINC001218621285 824605944 /nfs/dbraw/zinc/60/59/44/824605944.db2.gz QRARDJXRWWWMGK-LLVKDONJSA-N 1 3 272.352 -0.260 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218623131 824606654 /nfs/dbraw/zinc/60/66/54/824606654.db2.gz ZYQVYTHNQCMAGY-VIFPVBQESA-N 1 3 299.400 -0.016 20 0 CBADHO Cn1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)nn1 ZINC001218628425 824609055 /nfs/dbraw/zinc/60/90/55/824609055.db2.gz IITRQCRXSKGWCL-VIFPVBQESA-N 1 3 254.338 -0.187 20 0 CBADHO COc1nccc(N)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218632062 824610209 /nfs/dbraw/zinc/61/02/09/824610209.db2.gz OBVIVZANGHPVTG-MRVPVSSYSA-N 1 3 253.306 -0.323 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218634621 824610410 /nfs/dbraw/zinc/61/04/10/824610410.db2.gz XWGLXMWMEQAXIP-YFKPBYRVSA-N 1 3 259.697 -0.160 20 0 CBADHO Cc1c[nH]c(=O)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218651993 824615397 /nfs/dbraw/zinc/61/53/97/824615397.db2.gz SMLABIJVANZWIW-VIFPVBQESA-N 1 3 262.313 -0.157 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218652628 824615520 /nfs/dbraw/zinc/61/55/20/824615520.db2.gz MJNVMYHYWCHNLI-JMCQJSRRSA-N 1 3 296.762 -0.150 20 0 CBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218678389 824620647 /nfs/dbraw/zinc/62/06/47/824620647.db2.gz IXINQVKUCJUVGQ-QMMMGPOBSA-N 1 3 253.306 -0.236 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704438 824626334 /nfs/dbraw/zinc/62/63/34/824626334.db2.gz RAZVPZNVJSBKNW-LBPRGKRZSA-N 1 3 274.328 -0.218 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710228 824626429 /nfs/dbraw/zinc/62/64/29/824626429.db2.gz GOANDIZQJFEPPA-YUMQZZPRSA-N 1 3 254.290 -0.253 20 0 CBADHO N[C@@]1(C(=O)Nc2cc([C@H]3CCCN3)no2)CC[NH2+]C1 ZINC001218714293 824627580 /nfs/dbraw/zinc/62/75/80/824627580.db2.gz XIJSROYOUFYSRK-PELKAZGASA-N 1 3 265.317 -0.272 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710815 824627899 /nfs/dbraw/zinc/62/78/99/824627899.db2.gz IPHWFVIYWFZMKJ-JGVFFNPUSA-N 1 3 253.306 -0.286 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710818 824627946 /nfs/dbraw/zinc/62/79/46/824627946.db2.gz IPHWFVIYWFZMKJ-YUMQZZPRSA-N 1 3 253.306 -0.286 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218713601 824628002 /nfs/dbraw/zinc/62/80/02/824628002.db2.gz SWCYAYDOGUWGEF-FSZOTQKASA-N 1 3 291.355 -0.013 20 0 CBADHO Cc1cc(=O)c(N)c(C)n1C(=O)[C@H](N)CCC[NH3+] ZINC001218718963 824628974 /nfs/dbraw/zinc/62/89/74/824628974.db2.gz ULLWAMLGURXPMC-SECBINFHSA-N 1 3 252.318 -0.246 20 0 CBADHO CCN(C)c1ncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218741720 824631297 /nfs/dbraw/zinc/63/12/97/824631297.db2.gz ZSIYXSNPPWZPRC-NSHDSACASA-N 1 3 290.371 -0.320 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218742605 824631801 /nfs/dbraw/zinc/63/18/01/824631801.db2.gz IKPIQPOLAGGAML-ZETCQYMHSA-N 1 3 296.762 -0.902 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218742600 824632098 /nfs/dbraw/zinc/63/20/98/824632098.db2.gz IKPIQPOLAGGAML-SSDOTTSWSA-N 1 3 296.762 -0.902 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746879 824633304 /nfs/dbraw/zinc/63/33/04/824633304.db2.gz QFPZGGHHZQKEQT-CYBMUJFWSA-N 1 3 293.371 -0.077 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218764221 824636120 /nfs/dbraw/zinc/63/61/20/824636120.db2.gz NUNPUDWSJGIVMU-SECBINFHSA-N 1 3 265.317 -0.554 20 0 CBADHO N[C@H](C(=O)Nc1cnn2c1OCCC2)C1CC[NH2+]CC1 ZINC001218793991 824640533 /nfs/dbraw/zinc/64/05/33/824640533.db2.gz JUOSNCNCNMIUMC-NSHDSACASA-N 1 3 279.344 -0.069 20 0 CBADHO O=C(Nc1cnn2c1OCCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218794227 824640844 /nfs/dbraw/zinc/64/08/44/824640844.db2.gz OBXRLMVNFCPENB-QMTHXVAHSA-N 1 3 291.355 -0.197 20 0 CBADHO Cn1nnc2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc21 ZINC001218879463 824645975 /nfs/dbraw/zinc/64/59/75/824645975.db2.gz XFPFPWUBNSYJNL-VIFPVBQESA-N 1 3 262.317 -0.027 20 0 CBADHO Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218912319 824647161 /nfs/dbraw/zinc/64/71/61/824647161.db2.gz ALNLCULKNXBXSW-NSHDSACASA-N 1 3 288.351 -0.159 20 0 CBADHO CCCN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218966191 824650084 /nfs/dbraw/zinc/65/00/84/824650084.db2.gz XPKXEGXSUJMEKM-UONOGXRCSA-N 1 3 299.415 -0.114 20 0 CBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029892 824653841 /nfs/dbraw/zinc/65/38/41/824653841.db2.gz SIGKDHZZQHOSAR-RYUDHWBXSA-N 1 3 276.340 -0.346 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219028325 824654450 /nfs/dbraw/zinc/65/44/50/824654450.db2.gz ZUUWLXYYTBOJOZ-PWSUYJOCSA-N 1 3 276.340 -0.204 20 0 CBADHO O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@@H]1CNCCN1 ZINC001219537324 824723404 /nfs/dbraw/zinc/72/34/04/824723404.db2.gz KZCFOMATUSEBNO-XHVZSJERSA-N 1 3 288.351 -0.366 20 0 CBADHO N[C@@H](C(=O)NCCN1CCCCC1=O)C1CC[NH2+]CC1 ZINC001219569578 824732522 /nfs/dbraw/zinc/73/25/22/824732522.db2.gz XFGXSEIDQNRNPM-CYBMUJFWSA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C[NH2+]1 ZINC001219582332 824736123 /nfs/dbraw/zinc/73/61/23/824736123.db2.gz BHQHSNJLOBJUTJ-LPEHRKFASA-N 1 3 271.365 -0.981 20 0 CBADHO Cc1ncc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)s1 ZINC001219595520 824738684 /nfs/dbraw/zinc/73/86/84/824738684.db2.gz DKIIWASUKBWWNH-SNVBAGLBSA-N 1 3 266.370 -0.123 20 0 CBADHO Cc1ccnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001219600396 824740602 /nfs/dbraw/zinc/74/06/02/824740602.db2.gz RUQXPTPHFCTBNM-BXUZGUMPSA-N 1 3 275.356 -0.400 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608089 824853358 /nfs/dbraw/zinc/85/33/58/824853358.db2.gz OOMGWLOMNBQYDF-SCZZXKLOSA-N 1 3 291.277 -0.310 20 0 CBADHO CC(C)C[C@H](CO)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219631038 824865275 /nfs/dbraw/zinc/86/52/75/824865275.db2.gz QAXMSBORVDMZDS-NEPJUHHUSA-N 1 3 257.378 -0.164 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001219640874 824870491 /nfs/dbraw/zinc/87/04/91/824870491.db2.gz CMIUTWXUVXLVAZ-WZRBSPASSA-N 1 3 279.388 -0.348 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219645512 824871105 /nfs/dbraw/zinc/87/11/05/824871105.db2.gz LHKXFUNYXYMVTF-UPJWGTAASA-N 1 3 298.431 -0.162 20 0 CBADHO CN1CCO[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219695772 824880762 /nfs/dbraw/zinc/88/07/62/824880762.db2.gz YAVXKSMSMADVPK-OLZOCXBDSA-N 1 3 296.415 -0.693 20 0 CBADHO COc1cccc(C[C@H](N)C(=O)NCCC2(O)C[NH2+]C2)c1 ZINC001219697750 824881144 /nfs/dbraw/zinc/88/11/44/824881144.db2.gz XOVYFJTYUDJOIJ-ZDUSSCGKSA-N 1 3 293.367 -0.594 20 0 CBADHO N[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720864 824886800 /nfs/dbraw/zinc/88/68/00/824886800.db2.gz TXJWXMFBBSXKMF-SDDRHHMPSA-N 1 3 265.313 -0.896 20 0 CBADHO NC(C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C(F)(F)F ZINC001219813613 824897912 /nfs/dbraw/zinc/89/79/12/824897912.db2.gz WZFAMRIITDURKA-ZKWXMUAHSA-N 1 3 267.251 -0.772 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831670 824899711 /nfs/dbraw/zinc/89/97/11/824899711.db2.gz TWGIXVFCJXRCLS-HXFLIBJXSA-N 1 3 263.288 -0.538 20 0 CBADHO O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219848092 824901152 /nfs/dbraw/zinc/90/11/52/824901152.db2.gz WKLUTVAFBOSVCL-SGMGOOAPSA-N 1 3 265.357 -0.068 20 0 CBADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[C@@H](F)CCN1 ZINC001219854714 824902565 /nfs/dbraw/zinc/90/25/65/824902565.db2.gz QVXGBAPQPYSZGR-HPENLJRUSA-N 1 3 257.309 -0.821 20 0 CBADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@H](N)CCC[NH3+])OCC2 ZINC001219885145 824909268 /nfs/dbraw/zinc/90/92/68/824909268.db2.gz IRFGFXPRCRMGJW-GHMZBOCLSA-N 1 3 281.360 -0.784 20 0 CBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001219882809 824909871 /nfs/dbraw/zinc/90/98/71/824909871.db2.gz NVAOLBXVKNWHKR-LPEHRKFASA-N 1 3 263.407 -0.471 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001219916174 824913262 /nfs/dbraw/zinc/91/32/62/824913262.db2.gz MQGDSSAGVXKLOI-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH+](C)CCCCCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001219921828 824915557 /nfs/dbraw/zinc/91/55/57/824915557.db2.gz ZQJHRQJCICWXQZ-BBATYDOGSA-N 1 3 277.434 -0.070 20 0 CBADHO [NH3+]CCCC[C@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219970334 824925814 /nfs/dbraw/zinc/92/58/14/824925814.db2.gz YKMFZVIOAOFJBY-ZJUUUORDSA-N 1 3 269.349 -0.929 20 0 CBADHO COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220079771 824951618 /nfs/dbraw/zinc/95/16/18/824951618.db2.gz ZTWOFIOIPMAGMC-UWVGGRQHSA-N 1 3 291.417 -0.146 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220043431 824942268 /nfs/dbraw/zinc/94/22/68/824942268.db2.gz REHVVYHVRHWJAY-UWVGGRQHSA-N 1 3 267.308 -0.140 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H](N)CSCC[NH3+])CCCC1 ZINC001220048737 824943578 /nfs/dbraw/zinc/94/35/78/824943578.db2.gz VLWDYEVFLHVFQO-VIFPVBQESA-N 1 3 289.401 -0.392 20 0 CBADHO O=C(N[C@@H]1CCC[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220099557 824954709 /nfs/dbraw/zinc/95/47/09/824954709.db2.gz RZECSRYKTVKZSH-WOPDTQHZSA-N 1 3 267.373 -0.110 20 0 CBADHO O=C(N[C@@H]1CCC[C@@H]1O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220099557 824954713 /nfs/dbraw/zinc/95/47/13/824954713.db2.gz RZECSRYKTVKZSH-WOPDTQHZSA-N 1 3 267.373 -0.110 20 0 CBADHO N[C@H](C(=O)NC[C@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113331 824958898 /nfs/dbraw/zinc/95/88/98/824958898.db2.gz QLTAXJGWXGAYLT-KBPBESRZSA-N 1 3 293.367 -0.131 20 0 CBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220122988 824960430 /nfs/dbraw/zinc/96/04/30/824960430.db2.gz QRNBEJKIPWKHJG-NOZJJQNGSA-N 1 3 277.328 -0.372 20 0 CBADHO O=C(NCc1cccc(F)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220124952 824961264 /nfs/dbraw/zinc/96/12/64/824961264.db2.gz RLJWBRJRPOMXJU-JTQLQIEISA-N 1 3 264.304 -0.354 20 0 CBADHO N[C@@H](C(=O)NCC1(F)CCOCC1)C1CC[NH2+]CC1 ZINC001220136986 824963510 /nfs/dbraw/zinc/96/35/10/824963510.db2.gz NCPKVMQBPZLBLE-LLVKDONJSA-N 1 3 273.352 -0.052 20 0 CBADHO C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220150104 824969099 /nfs/dbraw/zinc/96/90/99/824969099.db2.gz QKLRLSIRFKRBEA-WZRBSPASSA-N 1 3 267.373 -0.110 20 0 CBADHO C[C@@]1(O)C[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220150104 824969103 /nfs/dbraw/zinc/96/91/03/824969103.db2.gz QKLRLSIRFKRBEA-WZRBSPASSA-N 1 3 267.373 -0.110 20 0 CBADHO CCC1(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)COC1 ZINC001220170396 824975932 /nfs/dbraw/zinc/97/59/32/824975932.db2.gz JOKBSWZKWNWGCX-JTQLQIEISA-N 1 3 253.346 -0.662 20 0 CBADHO CCC1(CNC(=O)[C@H](N)C2CC[NH2+]CC2)COC1 ZINC001220170954 824976598 /nfs/dbraw/zinc/97/65/98/824976598.db2.gz ZNILSAAQEUOYFL-LLVKDONJSA-N 1 3 255.362 -0.144 20 0 CBADHO Cn1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])cc1=O ZINC001220179557 824979957 /nfs/dbraw/zinc/97/99/57/824979957.db2.gz NFXHUAZOUGOTKW-NSHDSACASA-N 1 3 266.345 -0.542 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cncnc1 ZINC001220183688 824981160 /nfs/dbraw/zinc/98/11/60/824981160.db2.gz XARMDOIKBXOQTI-KOLCDFICSA-N 1 3 261.329 -0.537 20 0 CBADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cncnc1 ZINC001220183727 824981323 /nfs/dbraw/zinc/98/13/23/824981323.db2.gz XUOCNKLWLBTQKW-MPKXVKKWSA-N 1 3 275.356 -0.147 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183019 824981819 /nfs/dbraw/zinc/98/18/19/824981819.db2.gz AOYBISXMCDZZRO-ZDUSSCGKSA-N 1 3 294.355 -0.458 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC001220187157 824983027 /nfs/dbraw/zinc/98/30/27/824983027.db2.gz ZQPQYDKQZVFPOL-YIZRAAEISA-N 1 3 262.304 -0.963 20 0 CBADHO O=C(NC[C@H]1C[C@@H](O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220191924 824985131 /nfs/dbraw/zinc/98/51/31/824985131.db2.gz UTIHSLSWDHUZQO-TUAOUCFPSA-N 1 3 267.373 -0.252 20 0 CBADHO O=C(NC[C@H]1C[C@@H](O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220191924 824985137 /nfs/dbraw/zinc/98/51/37/824985137.db2.gz UTIHSLSWDHUZQO-TUAOUCFPSA-N 1 3 267.373 -0.252 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC1(N2CCCC2)COC1 ZINC001220197923 824985153 /nfs/dbraw/zinc/98/51/53/824985153.db2.gz WITAPCHNNGRCQB-LLVKDONJSA-N 1 3 270.377 -0.966 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202913 824986308 /nfs/dbraw/zinc/98/63/08/824986308.db2.gz PIHAVJZKWNHQSB-RYUDHWBXSA-N 1 3 284.404 -0.266 20 0 CBADHO CC1(C)C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001220219209 824989890 /nfs/dbraw/zinc/98/98/90/824989890.db2.gz TXYRGSCETSIGOU-QWRGUYRKSA-N 1 3 267.373 -0.131 20 0 CBADHO COCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233618 824991483 /nfs/dbraw/zinc/99/14/83/824991483.db2.gz CWCVHQMHEVNCBT-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CN1C[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1=O ZINC001220245852 824994794 /nfs/dbraw/zinc/99/47/94/824994794.db2.gz WKWYVHKWKLYPJI-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO CN1C[C@H](CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1=O ZINC001220245852 824994796 /nfs/dbraw/zinc/99/47/96/824994796.db2.gz WKWYVHKWKLYPJI-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC001220253996 824996854 /nfs/dbraw/zinc/99/68/54/824996854.db2.gz IETMFROODRNKHZ-LBPRGKRZSA-N 1 3 281.404 -0.006 20 0 CBADHO O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220260729 824997750 /nfs/dbraw/zinc/99/77/50/824997750.db2.gz FOHMFKUAFHPRQY-MNOVXSKESA-N 1 3 275.356 -0.808 20 0 CBADHO CC1(C)OCC(NC(=O)[C@@H](N)CCCC[NH3+])CO1 ZINC001220270741 824999975 /nfs/dbraw/zinc/99/99/75/824999975.db2.gz DVOIVTLTJTYXAP-JTQLQIEISA-N 1 3 259.350 -0.290 20 0 CBADHO CC1(C)OCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CO1 ZINC001220271065 825000734 /nfs/dbraw/zinc/00/07/34/825000734.db2.gz RYFJKNATZLCLJO-JTQLQIEISA-N 1 3 269.345 -0.937 20 0 CBADHO CCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276953 825003257 /nfs/dbraw/zinc/00/32/57/825003257.db2.gz OUAGGXFZSMRSDU-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO Cn1cc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cn1 ZINC001220276523 825004296 /nfs/dbraw/zinc/00/42/96/825004296.db2.gz LKJKDTHOAGPXOJ-CYBMUJFWSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1cc(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001220276523 825004306 /nfs/dbraw/zinc/00/43/06/825004306.db2.gz LKJKDTHOAGPXOJ-CYBMUJFWSA-N 1 3 291.399 -0.047 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1OCCO1 ZINC001220289211 825006877 /nfs/dbraw/zinc/00/68/77/825006877.db2.gz WIGTZOOMXKKOSY-NSHDSACASA-N 1 3 273.377 -0.029 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316896 825013710 /nfs/dbraw/zinc/01/37/10/825013710.db2.gz UMJBYDSKNMAEMN-YRGRVCCFSA-N 1 3 293.371 -0.693 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CC12CCOCC2 ZINC001220329147 825015231 /nfs/dbraw/zinc/01/52/31/825015231.db2.gz HEKJHVVZIJSLMO-UWVGGRQHSA-N 1 3 273.402 -0.309 20 0 CBADHO Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n(N)c(=O)c1 ZINC001220323984 825015802 /nfs/dbraw/zinc/01/58/02/825015802.db2.gz SGNZFCWWZNPYDH-QMTHXVAHSA-N 1 3 291.355 -0.992 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220331904 825016659 /nfs/dbraw/zinc/01/66/59/825016659.db2.gz FJWHGXPICSAFDY-AVGNSLFASA-N 1 3 269.389 -0.054 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220340437 825017963 /nfs/dbraw/zinc/01/79/63/825017963.db2.gz DMCNHWAQLCBKDC-LBPRGKRZSA-N 1 3 293.371 -0.010 20 0 CBADHO COc1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])nn1 ZINC001220343367 825019300 /nfs/dbraw/zinc/01/93/00/825019300.db2.gz LKHIXYJRFJZYSL-JTQLQIEISA-N 1 3 267.333 -0.442 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220368380 825021379 /nfs/dbraw/zinc/02/13/79/825021379.db2.gz CWQJADCHVUSBOQ-QMMMGPOBSA-N 1 3 289.792 -0.235 20 0 CBADHO O=C(NCc1ccc(Cl)nn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220368671 825022019 /nfs/dbraw/zinc/02/20/19/825022019.db2.gz JYWKYELMVRCKOL-VIFPVBQESA-N 1 3 281.747 -0.445 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CCC2 ZINC001220377440 825024793 /nfs/dbraw/zinc/02/47/93/825024793.db2.gz XUWVOGHJDPEEMW-PWSUYJOCSA-N 1 3 275.356 -0.491 20 0 CBADHO [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC001220389967 825027030 /nfs/dbraw/zinc/02/70/30/825027030.db2.gz IVBQQFUSWWTSMW-QMMMGPOBSA-N 1 3 270.358 -0.577 20 0 CBADHO [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC001220390314 825027159 /nfs/dbraw/zinc/02/71/59/825027159.db2.gz XVLQLUDDTNHIAE-VIFPVBQESA-N 1 3 252.318 -0.140 20 0 CBADHO COc1ccc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)nc1 ZINC001220396923 825030210 /nfs/dbraw/zinc/03/02/10/825030210.db2.gz QQTOXIAYAMIGJU-CYBMUJFWSA-N 1 3 290.367 -0.442 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001220405774 825032093 /nfs/dbraw/zinc/03/20/93/825032093.db2.gz CYQBOVZXZSJWPS-OPRDCNLKSA-N 1 3 257.334 -0.490 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC(=O)CCO ZINC001220448898 825040653 /nfs/dbraw/zinc/04/06/53/825040653.db2.gz AXCXXDBADSOVPK-NSHDSACASA-N 1 3 259.350 -0.887 20 0 CBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CC(F)F)O1 ZINC001220481704 825049106 /nfs/dbraw/zinc/04/91/06/825049106.db2.gz NSMQZEFSLWKGGT-FNOROQBZSA-N 1 3 295.330 -0.190 20 0 CBADHO CCOC(=O)C1=C(NC(=O)C2CC3(C[NH2+]C3)C2)CCNC1 ZINC001220521725 825056450 /nfs/dbraw/zinc/05/64/50/825056450.db2.gz MITRYWMZGHOUSN-UHFFFAOYSA-N 1 3 293.367 -0.087 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCNC1 ZINC001220521375 825057216 /nfs/dbraw/zinc/05/72/16/825057216.db2.gz FHWOQMXONPCAMQ-GDGBQDQQSA-N 1 3 279.340 -0.622 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CCC[NH3+])[C@H](O)c1cccc(O)c1 ZINC001220546026 825060548 /nfs/dbraw/zinc/06/05/48/825060548.db2.gz AAOUVHCIHLKWSF-XDTLVQLUSA-N 1 3 281.356 -0.004 20 0 CBADHO O=C(NCc1cccc2ccnn21)[C@H]1C[NH2+]CC12CNC2 ZINC001220553132 825061570 /nfs/dbraw/zinc/06/15/70/825061570.db2.gz HUDTTWNAZTWNPJ-CYBMUJFWSA-N 1 3 285.351 -0.241 20 0 CBADHO C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220566141 825063541 /nfs/dbraw/zinc/06/35/41/825063541.db2.gz ZXAJXNUVIOGEMQ-OUAUKWLOSA-N 1 3 253.346 -0.663 20 0 CBADHO CC(C)(O)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220573290 825068015 /nfs/dbraw/zinc/06/80/15/825068015.db2.gz KARGRVGXLJGOQK-BXUZGUMPSA-N 1 3 269.389 -0.147 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001220588320 825070883 /nfs/dbraw/zinc/07/08/83/825070883.db2.gz SLEIQAXWCIXBHR-RNFRBKRXSA-N 1 3 295.261 -0.985 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220848560 825110609 /nfs/dbraw/zinc/11/06/09/825110609.db2.gz AAMKQWJENHRBJS-ZJUUUORDSA-N 1 3 259.350 -0.242 20 0 CBADHO CCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638154 825078973 /nfs/dbraw/zinc/07/89/73/825078973.db2.gz UQVODZDBVODJJQ-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccccc1-n1cnnn1 ZINC001220667895 825082593 /nfs/dbraw/zinc/08/25/93/825082593.db2.gz GCUSLNBJLUUGLB-NSHDSACASA-N 1 3 289.343 -0.655 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220709490 825091364 /nfs/dbraw/zinc/09/13/64/825091364.db2.gz ZFYZJZPCBSYKEV-JTQLQIEISA-N 1 3 282.388 -0.784 20 0 CBADHO C[C@@H]1COCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220725751 825094136 /nfs/dbraw/zinc/09/41/36/825094136.db2.gz XSQKVZWNIWRBFI-UMVBOHGHSA-N 1 3 296.415 -0.978 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220757292 825096857 /nfs/dbraw/zinc/09/68/57/825096857.db2.gz ZBKFEVWBGXZFDP-ONGXEEELSA-N 1 3 258.366 -0.669 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220759383 825097704 /nfs/dbraw/zinc/09/77/04/825097704.db2.gz XZNKDQDTIUEBPK-GFCCVEGCSA-N 1 3 282.388 -0.782 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220759384 825098268 /nfs/dbraw/zinc/09/82/68/825098268.db2.gz XZNKDQDTIUEBPK-LBPRGKRZSA-N 1 3 282.388 -0.782 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220781337 825101569 /nfs/dbraw/zinc/10/15/69/825101569.db2.gz YEJBMINTLKZVKB-BNOWGMLFSA-N 1 3 266.389 -0.190 20 0 CBADHO NC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788993 825102618 /nfs/dbraw/zinc/10/26/18/825102618.db2.gz IAUOBLUFVLUBCF-SDDRHHMPSA-N 1 3 263.345 -0.866 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220808615 825105317 /nfs/dbraw/zinc/10/53/17/825105317.db2.gz SVDSOYBJAHEAKW-VIFPVBQESA-N 1 3 296.387 -0.537 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CNC[C@@H](F)C2)C[NH2+]C1 ZINC001220826807 825107540 /nfs/dbraw/zinc/10/75/40/825107540.db2.gz AHQIYZONKNCBMV-IUCAKERBSA-N 1 3 285.319 -0.529 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220849121 825112862 /nfs/dbraw/zinc/11/28/62/825112862.db2.gz SRZYDFGYQJPUIU-UWVGGRQHSA-N 1 3 269.345 -0.889 20 0 CBADHO O=C(NCCO[C@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220861871 825113578 /nfs/dbraw/zinc/11/35/78/825113578.db2.gz HMCJIPJQECITQL-VNHYZAJKSA-N 1 3 297.399 -0.155 20 0 CBADHO O=C(NCCc1cnc2cc[nH]cc1-2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220865834 825115046 /nfs/dbraw/zinc/11/50/46/825115046.db2.gz MIYCMJXDBMKANL-YPMHNXCESA-N 1 3 274.324 -0.198 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220865834 825115050 /nfs/dbraw/zinc/11/50/50/825115050.db2.gz MIYCMJXDBMKANL-YPMHNXCESA-N 1 3 274.324 -0.198 20 0 CBADHO COc1cncc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001220871008 825116671 /nfs/dbraw/zinc/11/66/71/825116671.db2.gz RJWKHNAWABPYPY-GFCCVEGCSA-N 1 3 276.340 -0.485 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889065 825121237 /nfs/dbraw/zinc/12/12/37/825121237.db2.gz BHCUDYMEUMYYLX-NEPJUHHUSA-N 1 3 270.377 -0.512 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889066 825121453 /nfs/dbraw/zinc/12/14/53/825121453.db2.gz BHCUDYMEUMYYLX-RYUDHWBXSA-N 1 3 270.377 -0.512 20 0 CBADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220907330 825122469 /nfs/dbraw/zinc/12/24/69/825122469.db2.gz MWQQNXWTQAACTE-QWRGUYRKSA-N 1 3 270.377 -0.430 20 0 CBADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220906959 825122640 /nfs/dbraw/zinc/12/26/40/825122640.db2.gz DQGDCLYVMCMKDM-UWVGGRQHSA-N 1 3 288.417 -0.867 20 0 CBADHO Cc1noc(C2(NC(=O)[C@@H](N)CCCC[NH3+])CC2)n1 ZINC001220932899 825125450 /nfs/dbraw/zinc/12/54/50/825125450.db2.gz RKDQKSYDWIFSPD-VIFPVBQESA-N 1 3 267.333 -0.060 20 0 CBADHO NC(C(=O)NCCO[C@H]1CC[NH2+]C1)C(F)(F)F ZINC001220937641 825127040 /nfs/dbraw/zinc/12/70/40/825127040.db2.gz WTMWMCWRLUCQSJ-NKWVEPMBSA-N 1 3 255.240 -0.629 20 0 CBADHO NC(C(=O)NCCO[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC001220937642 825127991 /nfs/dbraw/zinc/12/79/91/825127991.db2.gz WTMWMCWRLUCQSJ-RNFRBKRXSA-N 1 3 255.240 -0.629 20 0 CBADHO N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220950900 825129163 /nfs/dbraw/zinc/12/91/63/825129163.db2.gz JXONGUUFGOMGFW-IUCAKERBSA-N 1 3 253.281 -0.448 20 0 CBADHO CCc1nnc2ccc(CNC(=O)[C@H](N)CCC[NH3+])cn21 ZINC001220992861 825134111 /nfs/dbraw/zinc/13/41/11/825134111.db2.gz VVEXQZYRWYUKSJ-LLVKDONJSA-N 1 3 290.371 -0.026 20 0 CBADHO Cc1nnc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)o1 ZINC001221010436 825135087 /nfs/dbraw/zinc/13/50/87/825135087.db2.gz HHKSRNPKPCNSNC-SNVBAGLBSA-N 1 3 253.306 -0.679 20 0 CBADHO CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001221065248 825139884 /nfs/dbraw/zinc/13/98/84/825139884.db2.gz DOPJLYOGDGTEFM-LBPRGKRZSA-N 1 3 290.367 -0.095 20 0 CBADHO O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@@H]1C[NH2+]CCN1 ZINC001221056150 825139902 /nfs/dbraw/zinc/13/99/02/825139902.db2.gz HDXLFLMFOZFADS-IHRRRGAJSA-N 1 3 296.415 -0.693 20 0 CBADHO O=C(NC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221082491 825141573 /nfs/dbraw/zinc/14/15/73/825141573.db2.gz VYYJSPUNYLOOHN-BXUZGUMPSA-N 1 3 287.367 -0.219 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221243511 825160493 /nfs/dbraw/zinc/16/04/93/825160493.db2.gz JUHSPHRUMHNWGI-QWHCGFSZSA-N 1 3 254.378 -0.332 20 0 CBADHO O=C(N[C@@H]1CCOC[C@@H]1F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221244357 825160839 /nfs/dbraw/zinc/16/08/39/825160839.db2.gz XQLFPPNIJDPWLD-LSCVPOLPSA-N 1 3 271.336 -0.571 20 0 CBADHO CC(=O)OCN1CCC(NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001221259052 825163386 /nfs/dbraw/zinc/16/33/86/825163386.db2.gz SQNCRWOLLGTAEL-LBPRGKRZSA-N 1 3 286.376 -0.846 20 0 CBADHO N[C@H](C(=O)N[C@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268834 825165002 /nfs/dbraw/zinc/16/50/02/825165002.db2.gz DWVJMHYCLZYVBH-JQWIXIFHSA-N 1 3 268.361 -0.902 20 0 CBADHO N[C@@H](C(=O)N[C@@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268836 825165271 /nfs/dbraw/zinc/16/52/71/825165271.db2.gz DWVJMHYCLZYVBH-ZYHUDNBSSA-N 1 3 268.361 -0.902 20 0 CBADHO N[C@H](C(=O)N[C@H]1CCC[C@H]1CO)C1CC[NH2+]CC1 ZINC001221309603 825170048 /nfs/dbraw/zinc/17/00/48/825170048.db2.gz SMSZJSPHENBIPH-SRVKXCTJSA-N 1 3 255.362 -0.410 20 0 CBADHO N[C@@H](C(=O)N[C@H]1CCC[C@H]1CO)C1CC[NH2+]CC1 ZINC001221309602 825170126 /nfs/dbraw/zinc/17/01/26/825170126.db2.gz SMSZJSPHENBIPH-SDDRHHMPSA-N 1 3 255.362 -0.410 20 0 CBADHO N=C(NC(=O)[C@H](N)CCC[NH3+])c1cnc2ccc(F)cn21 ZINC001221322798 825170836 /nfs/dbraw/zinc/17/08/36/825170836.db2.gz NJOZAPAIKBMQCM-SECBINFHSA-N 1 3 292.318 -0.019 20 0 CBADHO Cc1ncsc1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221327680 825170882 /nfs/dbraw/zinc/17/08/82/825170882.db2.gz CQKBGFGWYKBMRR-JTQLQIEISA-N 1 3 280.397 -0.081 20 0 CBADHO O=C(NCc1cnc(Cl)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221319235 825171028 /nfs/dbraw/zinc/17/10/28/825171028.db2.gz RTDIDCUJQQDJAP-SECBINFHSA-N 1 3 281.747 -0.445 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370417 825177602 /nfs/dbraw/zinc/17/76/02/825177602.db2.gz QTFLBYMEMTZFJF-ZJUUUORDSA-N 1 3 272.349 -0.730 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221368305 825177744 /nfs/dbraw/zinc/17/77/44/825177744.db2.gz FNOVALLCBJLRFX-MNOVXSKESA-N 1 3 286.376 -0.293 20 0 CBADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221371982 825178792 /nfs/dbraw/zinc/17/87/92/825178792.db2.gz JJTXNSWBZCWTHO-LBPRGKRZSA-N 1 3 298.431 -0.269 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)NC1 ZINC001221393171 825180560 /nfs/dbraw/zinc/18/05/60/825180560.db2.gz XVKORDNIINOCOU-KGLIPLIRSA-N 1 3 292.383 -0.723 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCOc1ccncc1 ZINC001221394200 825180840 /nfs/dbraw/zinc/18/08/40/825180840.db2.gz YHEGMELJZZTMOD-LLVKDONJSA-N 1 3 252.318 -0.357 20 0 CBADHO O=C(NCCOc1ccncc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221394134 825181146 /nfs/dbraw/zinc/18/11/46/825181146.db2.gz WONTXMZGUFBJKN-LBPRGKRZSA-N 1 3 276.340 -0.614 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001221397918 825182687 /nfs/dbraw/zinc/18/26/87/825182687.db2.gz QJYBWJAFMSVACG-KKUMJFAQSA-N 1 3 289.379 -0.213 20 0 CBADHO CN1CCC(CO)(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001221402396 825183118 /nfs/dbraw/zinc/18/31/18/825183118.db2.gz GBCMYJSNKDYMBG-LBPRGKRZSA-N 1 3 269.389 -0.051 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC001221406439 825183765 /nfs/dbraw/zinc/18/37/65/825183765.db2.gz QSMLRURMGLBLHQ-QMMMGPOBSA-N 1 3 265.304 -0.458 20 0 CBADHO C[NH+]1CCC(CO)(NC(=O)[C@@H](N)CC(F)F)CC1 ZINC001221406439 825183768 /nfs/dbraw/zinc/18/37/68/825183768.db2.gz QSMLRURMGLBLHQ-QMMMGPOBSA-N 1 3 265.304 -0.458 20 0 CBADHO Cn1c(CN2CCNC3(CC[NH2+]CC3)C2)cccc1=O ZINC001222109253 825200402 /nfs/dbraw/zinc/20/04/02/825200402.db2.gz COMIYDTWKBKPCE-UHFFFAOYSA-N 1 3 276.384 -0.087 20 0 CBADHO c1nc2n(c1CN1CCNC3(CC[NH2+]CC3)C1)CCNC2 ZINC001222109841 825201577 /nfs/dbraw/zinc/20/15/77/825201577.db2.gz QCIKMWNMMSWQFJ-UHFFFAOYSA-N 1 3 290.415 -0.486 20 0 CBADHO C[NH+](C)CCC(=O)NC1CCN(CCOCCO)CC1 ZINC001228999299 825326307 /nfs/dbraw/zinc/32/63/07/825326307.db2.gz RCXQLAGDIPURIH-UHFFFAOYSA-N 1 3 287.404 -0.472 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229230396 825329620 /nfs/dbraw/zinc/32/96/20/825329620.db2.gz GSMBGGCBEIGNQY-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](C(=O)NC1CC[NH+](CCO)CC1)N(C)C ZINC001229253676 825330133 /nfs/dbraw/zinc/33/01/33/825330133.db2.gz JVQMJLHBWHFHQB-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H]([NH3+])CN1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235519546 825499420 /nfs/dbraw/zinc/49/94/20/825499420.db2.gz XRDBWWMOTKSYFD-XQQFMLRXSA-N 1 3 277.372 -0.039 20 0 CBADHO CCOC(=O)[C@]12CN(C[C@H]3CNCCO3)C[C@H]1C[NH2+]CC2 ZINC001236037005 825519410 /nfs/dbraw/zinc/51/94/10/825519410.db2.gz CCHVFCSOOLUETL-UMVBOHGHSA-N 1 3 297.399 -0.551 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2n1CCNC2 ZINC001236199779 825524504 /nfs/dbraw/zinc/52/45/04/825524504.db2.gz ZGKGZBVEEDQWJW-GWCFXTLKSA-N 1 3 278.356 -0.334 20 0 CBADHO COC(=O)[C@H]1CN(Cc2ccc3n2CCNC3)C[C@@H]1[NH3+] ZINC001236344395 825528084 /nfs/dbraw/zinc/52/80/84/825528084.db2.gz BRXGVPBIWADWMK-STQMWFEESA-N 1 3 278.356 -0.477 20 0 CBADHO COC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)CNCC2(F)F)C[C@@H]1[NH3+] ZINC001236346506 825529709 /nfs/dbraw/zinc/52/97/09/825529709.db2.gz ZNIQXHXFSRVCKW-DBIOUOCHSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@H+](C[C@@H]2[C@H](C)CNCC2(F)F)C[C@@H]1N ZINC001236346506 825529713 /nfs/dbraw/zinc/52/97/13/825529713.db2.gz ZNIQXHXFSRVCKW-DBIOUOCHSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2[C@H](C)CNCC2(F)F)C[C@@H]1N ZINC001236346506 825529716 /nfs/dbraw/zinc/52/97/16/825529716.db2.gz ZNIQXHXFSRVCKW-DBIOUOCHSA-N 1 3 291.342 -0.091 20 0 CBADHO NCCS(=O)(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001237692606 825542432 /nfs/dbraw/zinc/54/24/32/825542432.db2.gz QGEVRAZZGDOHCR-UHFFFAOYSA-N 1 3 259.331 -0.276 20 0 CBADHO COCCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239540 825549195 /nfs/dbraw/zinc/54/91/95/825549195.db2.gz DGFUABUJEFKWDB-LLVKDONJSA-N 1 3 291.417 -0.574 20 0 CBADHO COCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238239540 825549198 /nfs/dbraw/zinc/54/91/98/825549198.db2.gz DGFUABUJEFKWDB-LLVKDONJSA-N 1 3 291.417 -0.574 20 0 CBADHO NCCS(=O)(=O)N[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001238216964 825549352 /nfs/dbraw/zinc/54/93/52/825549352.db2.gz BIZCGRYVLNOUQK-SNVBAGLBSA-N 1 3 261.391 -0.213 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001238222203 825549386 /nfs/dbraw/zinc/54/93/86/825549386.db2.gz RKEZTKHQKQCWDK-LLVKDONJSA-N 1 3 291.417 -0.587 20 0 CBADHO CCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241733 825549673 /nfs/dbraw/zinc/54/96/73/825549673.db2.gz KYDWVEBWNFUTMI-SNVBAGLBSA-N 1 3 261.391 -0.200 20 0 CBADHO CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238241733 825549678 /nfs/dbraw/zinc/54/96/78/825549678.db2.gz KYDWVEBWNFUTMI-SNVBAGLBSA-N 1 3 261.391 -0.200 20 0 CBADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1cn[nH]c1 ZINC001238242730 825550461 /nfs/dbraw/zinc/55/04/61/825550461.db2.gz QEUNWRJMDLPZGT-SNVBAGLBSA-N 1 3 299.400 -0.438 20 0 CBADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1c[nH]cn1 ZINC001238244256 825550636 /nfs/dbraw/zinc/55/06/36/825550636.db2.gz ZDOUPGQFHZJUET-JTQLQIEISA-N 1 3 299.400 -0.438 20 0 CBADHO NCCS(=O)(=O)NCC[C@@H]1CCOC12CC[NH2+]CC2 ZINC001238276698 825550966 /nfs/dbraw/zinc/55/09/66/825550966.db2.gz MAAFOCRGIAHOTA-LLVKDONJSA-N 1 3 291.417 -0.587 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCNC[C@H]1F ZINC001238500742 825554537 /nfs/dbraw/zinc/55/45/37/825554537.db2.gz QCUHFZMRKFWLGI-VXGBXAGGSA-N 1 3 293.408 -0.147 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001238748993 825563047 /nfs/dbraw/zinc/56/30/47/825563047.db2.gz ROEXPZDWKBDEOI-RYUDHWBXSA-N 1 3 284.385 -0.390 20 0 CBADHO C[C@@H]1CCNCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238934443 825573694 /nfs/dbraw/zinc/57/36/94/825573694.db2.gz CAVNHHZSQJQOFJ-LLVKDONJSA-N 1 3 275.418 0.000 20 0 CBADHO NCCS(=O)(=O)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001238955877 825577621 /nfs/dbraw/zinc/57/76/21/825577621.db2.gz WHRNYUDDXGOLRT-SSDOTTSWSA-N 1 3 257.306 -0.809 20 0 CBADHO C[C@@H]1CNCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238967835 825578097 /nfs/dbraw/zinc/57/80/97/825578097.db2.gz UYOXKXUHVVJCRA-LLVKDONJSA-N 1 3 275.418 -0.143 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001239004224 825582104 /nfs/dbraw/zinc/58/21/04/825582104.db2.gz WVSHRTUWPONJIH-LLVKDONJSA-N 1 3 261.391 -0.117 20 0 CBADHO NCCS(=O)(=O)N1CCC(OC2CC[NH2+]CC2)CC1 ZINC001239057523 825584220 /nfs/dbraw/zinc/58/42/20/825584220.db2.gz JLJISTHHHPQZEW-UHFFFAOYSA-N 1 3 291.417 -0.492 20 0 CBADHO N[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1F ZINC001239097847 825586841 /nfs/dbraw/zinc/58/68/41/825586841.db2.gz KRPGTVINQYKNGF-MNOVXSKESA-N 1 3 279.381 -0.313 20 0 CBADHO NCCS(=O)(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001239147631 825595048 /nfs/dbraw/zinc/59/50/48/825595048.db2.gz HFZJVCQXPHAFER-ZDUSSCGKSA-N 1 3 298.412 -0.076 20 0 CBADHO c1nc(N2CC[NH2+]CC2)ncc1-c1ncc2c(n1)CCNC2 ZINC001241894469 825609283 /nfs/dbraw/zinc/60/92/83/825609283.db2.gz BAGXTNPGRFZHRA-UHFFFAOYSA-N 1 3 297.366 -0.011 20 0 CBADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)C(F)(F)F ZINC001245973900 825616239 /nfs/dbraw/zinc/61/62/39/825616239.db2.gz LITKXXHNSLRRJB-XLPZGREQSA-N 1 3 260.231 -0.438 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)C(F)(F)F ZINC001246010007 825620652 /nfs/dbraw/zinc/62/06/52/825620652.db2.gz VUKATSSSGMTDAS-BQBZGAKWSA-N 1 3 257.256 -0.518 20 0 CBADHO C[C@H]1CN(C[C@H](O)CN2CCOCC2)C[C@H]1C[NH3+] ZINC001246018225 825621916 /nfs/dbraw/zinc/62/19/16/825621916.db2.gz VFYXTPOOHFVGKA-YNEHKIRRSA-N 1 3 257.378 -0.794 20 0 CBADHO CCCOC[C@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246017361 825622283 /nfs/dbraw/zinc/62/22/83/825622283.db2.gz ASRQSIVUSLYFOD-CHWSQXEVSA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246017361 825622287 /nfs/dbraw/zinc/62/22/87/825622287.db2.gz ASRQSIVUSLYFOD-CHWSQXEVSA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246017361 825622290 /nfs/dbraw/zinc/62/22/90/825622290.db2.gz ASRQSIVUSLYFOD-CHWSQXEVSA-N 1 3 260.378 -0.050 20 0 CBADHO C[C@@]1([NH3+])CCCN(C[C@H](O)CN2CCOCC2)CC1 ZINC001246021608 825623630 /nfs/dbraw/zinc/62/36/30/825623630.db2.gz ODDNPPDPZAMAHY-UONOGXRCSA-N 1 3 271.405 -0.117 20 0 CBADHO CC(C)OC[C@@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246027932 825626743 /nfs/dbraw/zinc/62/67/43/825626743.db2.gz YXQPSVPBMUQPTM-STQMWFEESA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246027932 825626746 /nfs/dbraw/zinc/62/67/46/825626746.db2.gz YXQPSVPBMUQPTM-STQMWFEESA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246027932 825626750 /nfs/dbraw/zinc/62/67/50/825626750.db2.gz YXQPSVPBMUQPTM-STQMWFEESA-N 1 3 260.378 -0.052 20 0 CBADHO CC[C@]1(C(=O)OC)C[C@H](N[C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082937 825633288 /nfs/dbraw/zinc/63/32/88/825633288.db2.gz ZKYROZDRKRWEMS-KCQAQPDRSA-N 1 3 298.431 -0.447 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)NC1CC[NH2+]CC1 ZINC001246082166 825633621 /nfs/dbraw/zinc/63/36/21/825633621.db2.gz WLCMJBSBCQDCJW-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO O[C@@]1(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3)CCNC[C@@H]1F ZINC001246085980 825633814 /nfs/dbraw/zinc/63/38/14/825633814.db2.gz YRWQCKDYTICLOV-NTWDBFDFSA-N 1 3 273.352 -0.842 20 0 CBADHO O=C1CC[C@@H]2C[C@H]([NH2+]C[C@]3(O)CCNC[C@@H]3F)CCN12 ZINC001246088044 825634768 /nfs/dbraw/zinc/63/47/68/825634768.db2.gz IDYMIDCXZOWMAM-NRWUCQMLSA-N 1 3 285.363 -0.208 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)CCN1 ZINC001246093529 825635077 /nfs/dbraw/zinc/63/50/77/825635077.db2.gz JESFQUAJXZYYSE-GHMZBOCLSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CCN1 ZINC001246093537 825635247 /nfs/dbraw/zinc/63/52/47/825635247.db2.gz JESFQUAJXZYYSE-QWRGUYRKSA-N 1 3 255.362 -0.001 20 0 CBADHO COC(=O)[C@H](CCCC[NH3+])NC1C[C@@H]2COC[C@H](C1)N2 ZINC001246149990 825642142 /nfs/dbraw/zinc/64/21/42/825642142.db2.gz DPRIYDHNHZBCEE-WVMKXHBISA-N 1 3 285.388 -0.234 20 0 CBADHO COC(=O)[C@@H](N)Cc1cncn1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246153535 825642574 /nfs/dbraw/zinc/64/25/74/825642574.db2.gz RZQYJICSXOWYPL-PWSUYJOCSA-N 1 3 293.371 -0.808 20 0 CBADHO O=S1(=O)CCC(NC2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246213947 825651778 /nfs/dbraw/zinc/65/17/78/825651778.db2.gz GOTZRPMUCJTCPJ-UHFFFAOYSA-N 1 3 287.429 -0.411 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCN[C@H](C)C1)C(N)=O ZINC001246266534 825658187 /nfs/dbraw/zinc/65/81/87/825658187.db2.gz CKFLADPIKPNCHF-WXHSDQCUSA-N 1 3 284.404 -0.123 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368469 825669369 /nfs/dbraw/zinc/66/93/69/825669369.db2.gz CKFNQOLEURCSGF-DYEKYZERSA-N 1 3 296.415 -0.694 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246413001 825671630 /nfs/dbraw/zinc/67/16/30/825671630.db2.gz DMEJFPQWRTTXTM-VWYCJHECSA-N 1 3 271.361 -0.099 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246405421 825671768 /nfs/dbraw/zinc/67/17/68/825671768.db2.gz OTYFAYPNTFSICX-UTUOFQBUSA-N 1 3 295.391 -0.271 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CN1 ZINC001246477703 825676326 /nfs/dbraw/zinc/67/63/26/825676326.db2.gz JJAILZOMGFRMNU-STQMWFEESA-N 1 3 284.404 -0.754 20 0 CBADHO Cc1nc(=N)n([C@H]2CCNC3(C[NH2+]C3)C2)cc1CN ZINC001246479578 825676543 /nfs/dbraw/zinc/67/65/43/825676543.db2.gz UEFXJAGGBGOPLN-NSHDSACASA-N 1 3 262.361 -0.604 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N[C@@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517804 825678154 /nfs/dbraw/zinc/67/81/54/825678154.db2.gz MUXJHEKVEBWQOP-AGIUHOORSA-N 1 3 267.373 -0.132 20 0 CBADHO COC(=O)[C@H](N)Cc1cn([C@H]2CC[NH2+]C3(CNC3)C2)cn1 ZINC001246526583 825681093 /nfs/dbraw/zinc/68/10/93/825681093.db2.gz VKENXODLKHDHHH-NWDGAFQWSA-N 1 3 293.371 -0.808 20 0 CBADHO FC1CN(C2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246534108 825681723 /nfs/dbraw/zinc/68/17/23/825681723.db2.gz GPKZMDCHMBRHFP-LLVKDONJSA-N 1 3 254.353 -0.582 20 0 CBADHO C1[NH2+]CC12C[C@@H](N1CCN([C@@H]3CCOC3)CC1)CCN2 ZINC001246537961 825683516 /nfs/dbraw/zinc/68/35/16/825683516.db2.gz LRUDXLLPZLEHSC-UONOGXRCSA-N 1 3 280.416 -0.513 20 0 CBADHO OC[C@@H]1C[C@@H](F)CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553473 825684220 /nfs/dbraw/zinc/68/42/20/825684220.db2.gz YFTYRRPJQOGTNS-IJLUTSLNSA-N 1 3 257.353 -0.267 20 0 CBADHO COC(=O)[C@H]1CCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246554419 825685120 /nfs/dbraw/zinc/68/51/20/825685120.db2.gz WOYZUGRNFMNWDO-GHMZBOCLSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@@H]1C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246598506 825694103 /nfs/dbraw/zinc/69/41/03/825694103.db2.gz AUMFCLWQHOAAMR-HZSPNIEDSA-N 1 3 269.389 -0.182 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246600329 825694243 /nfs/dbraw/zinc/69/42/43/825694243.db2.gz GDHUANUZIDZRMQ-OLZOCXBDSA-N 1 3 297.399 -0.266 20 0 CBADHO C1C[C@]2(C[NH2+]1)CNCCN2C1C[C@@H]2COC[C@H](C1)N2 ZINC001246624395 825696980 /nfs/dbraw/zinc/69/69/80/825696980.db2.gz MZFHZKMQFZJRHK-PIGZVRMJSA-N 1 3 266.389 -0.857 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C1CCNCC1)C2 ZINC001246640582 825700857 /nfs/dbraw/zinc/70/08/57/825700857.db2.gz GKONOUBSXYVAKB-GWCFXTLKSA-N 1 3 254.330 -0.140 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1C[N@H+](C1CCNCC1)C2 ZINC001246640582 825700860 /nfs/dbraw/zinc/70/08/60/825700860.db2.gz GKONOUBSXYVAKB-GWCFXTLKSA-N 1 3 254.330 -0.140 20 0 CBADHO O=C1CC[C@@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246827865 825717069 /nfs/dbraw/zinc/71/70/69/825717069.db2.gz SWJHWYHVMYTXFY-VXGBXAGGSA-N 1 3 264.373 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(C)C[C@H]3C2)CN1 ZINC001246841788 825721569 /nfs/dbraw/zinc/72/15/69/825721569.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 1 3 253.346 -0.617 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(C)C[C@H]3C2)CN1 ZINC001246841788 825721571 /nfs/dbraw/zinc/72/15/71/825721571.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 1 3 253.346 -0.617 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246857583 825722174 /nfs/dbraw/zinc/72/21/74/825722174.db2.gz QJSXTVDUWYURII-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[C@@H]1C[C@@H](N2CCNC[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856621 825723194 /nfs/dbraw/zinc/72/31/94/825723194.db2.gz DSHZUVAGDNRNCY-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO c1cn2c(n1)CCN([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863322 825723808 /nfs/dbraw/zinc/72/38/08/825723808.db2.gz WOEYUCIGGLLBBI-GFCCVEGCSA-N 1 3 261.373 -0.165 20 0 CBADHO O=C1NC(=O)C2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)N1 ZINC001246860853 825724327 /nfs/dbraw/zinc/72/43/27/825724327.db2.gz BOMGARRDQDCJLZ-ZACCUICWSA-N 1 3 278.356 -0.057 20 0 CBADHO COC[C@@H]1COCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914465 825730356 /nfs/dbraw/zinc/73/03/56/825730356.db2.gz LIPHPUPCGDDOSB-NWDGAFQWSA-N 1 3 255.362 -0.572 20 0 CBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CN[C@@H]2CCS(=O)(=O)C2)O1 ZINC001254320237 825950598 /nfs/dbraw/zinc/95/05/98/825950598.db2.gz NVVFGRLCOWKWBI-DDHJBXDOSA-N 1 3 292.401 -0.512 20 0 CBADHO CC(=O)N1CCC(N2CCN(CC[NH3+])CC2)CC1 ZINC001254416036 825961353 /nfs/dbraw/zinc/96/13/53/825961353.db2.gz KWOCZHCQUFJCFE-UHFFFAOYSA-N 1 3 254.378 -0.426 20 0 CBADHO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](CN)C(=O)OC)C1 ZINC001256017265 825997873 /nfs/dbraw/zinc/99/78/73/825997873.db2.gz OUMVUIIXJJUPHV-UWVGGRQHSA-N 1 3 273.333 -0.445 20 0 CBADHO OC[C@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H](O)[C@@H]1O ZINC001256067148 826000238 /nfs/dbraw/zinc/00/02/38/826000238.db2.gz DIFDXLXGBBZEKH-JXJLXUTGSA-N 1 3 270.373 -0.695 20 0 CBADHO O=C1CO[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)CN1 ZINC001256681728 826029239 /nfs/dbraw/zinc/02/92/39/826029239.db2.gz AMBQGQRIDAPVHV-JXQTWKCFSA-N 1 3 297.399 -0.266 20 0 CBADHO NC(=O)C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(N)=O ZINC001256854270 826035694 /nfs/dbraw/zinc/03/56/94/826035694.db2.gz NSMCGAVVVBNUNO-LBPRGKRZSA-N 1 3 291.355 -0.631 20 0 CBADHO CNC(=O)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001261492690 826524258 /nfs/dbraw/zinc/52/42/58/826524258.db2.gz QANYAVTYBTYTEF-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262008116 826618233 /nfs/dbraw/zinc/61/82/33/826618233.db2.gz BCMMPPIGSQTOMO-NXEZZACHSA-N 1 3 251.334 -0.122 20 0 CBADHO CC(C)(C)[NH2+]CC(=O)N[C@H](CO)CN1CCCC1 ZINC001262170948 826647864 /nfs/dbraw/zinc/64/78/64/826647864.db2.gz FHWXKFLQTPBNDS-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO Cc1c(CN)c(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)nn1C ZINC001263153853 826744986 /nfs/dbraw/zinc/74/49/86/826744986.db2.gz ZITXYFXANDMRLU-MIMYLULJSA-N 1 3 263.345 -0.019 20 0 CBADHO CCN(C(=O)[C@H](N)CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC001263184652 826751658 /nfs/dbraw/zinc/75/16/58/826751658.db2.gz ZRDOEOSWJCQART-VHSXEESVSA-N 1 3 257.334 -0.523 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001265722733 826910249 /nfs/dbraw/zinc/91/02/49/826910249.db2.gz UJVNNDZSASAFGX-IEECTRCBSA-N 1 3 269.389 -0.246 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001265722733 826910253 /nfs/dbraw/zinc/91/02/53/826910253.db2.gz UJVNNDZSASAFGX-IEECTRCBSA-N 1 3 269.389 -0.246 20 0 CBADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001265851505 826929413 /nfs/dbraw/zinc/92/94/13/826929413.db2.gz OOFPEOMHRKPAQY-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265932040 826938317 /nfs/dbraw/zinc/93/83/17/826938317.db2.gz DHJNSOMTSMRPPY-LBPRGKRZSA-N 1 3 296.371 -0.194 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001266018292 826947738 /nfs/dbraw/zinc/94/77/38/826947738.db2.gz NVQKRFCOCZBQBL-GHMZBOCLSA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266275331 826969585 /nfs/dbraw/zinc/96/95/85/826969585.db2.gz VSNFEIVQPNKLAC-IJLUTSLNSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266275331 826969593 /nfs/dbraw/zinc/96/95/93/826969593.db2.gz VSNFEIVQPNKLAC-IJLUTSLNSA-N 1 3 257.378 -0.245 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)CC[NH+](C)C ZINC001266827200 827072022 /nfs/dbraw/zinc/07/20/22/827072022.db2.gz NZPYCNGNKCWNGT-JTQLQIEISA-N 1 3 258.366 -0.879 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)N1CCC1)[NH+](C)C ZINC001266827980 827072783 /nfs/dbraw/zinc/07/27/83/827072783.db2.gz IPJWWJGXNUDANJ-CQSZACIVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001266836770 827075338 /nfs/dbraw/zinc/07/53/38/827075338.db2.gz XLPCKPPUAHQWAD-QWRGUYRKSA-N 1 3 298.387 -0.820 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267006697 827105973 /nfs/dbraw/zinc/10/59/73/827105973.db2.gz QEFXFBKQFRGJGF-QWRGUYRKSA-N 1 3 268.361 -0.983 20 0 CBADHO CC[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001267424495 827170669 /nfs/dbraw/zinc/17/06/69/827170669.db2.gz RKLKBBHPQOUQQF-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CCO)C1 ZINC001267732639 827210579 /nfs/dbraw/zinc/21/05/79/827210579.db2.gz XQAXEXNNWULVGX-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO O=C(NC[C@H](O)CNCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001268306351 827289403 /nfs/dbraw/zinc/28/94/03/827289403.db2.gz AXLVQBSJSDPRDO-NEPJUHHUSA-N 1 3 273.352 -0.636 20 0 CBADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001268306353 827290301 /nfs/dbraw/zinc/29/03/01/827290301.db2.gz AXLVQBSJSDPRDO-NWDGAFQWSA-N 1 3 273.352 -0.636 20 0 CBADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001268368329 827315985 /nfs/dbraw/zinc/31/59/85/827315985.db2.gz GTVXQGVZGYATTQ-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCCN1C ZINC001268438932 827327817 /nfs/dbraw/zinc/32/78/17/827327817.db2.gz LHGRLNSEXFRBDJ-ZDUSSCGKSA-N 1 3 294.403 -0.190 20 0 CBADHO CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001268579983 827370240 /nfs/dbraw/zinc/37/02/40/827370240.db2.gz UTFGTWXRSJWXBH-QLQVPFRHSA-N 1 3 296.415 -0.003 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001268590905 827372754 /nfs/dbraw/zinc/37/27/54/827372754.db2.gz KRKLVGFRYYTPHU-ZZKXABKFSA-N 1 3 255.362 -0.418 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625278 827382579 /nfs/dbraw/zinc/38/25/79/827382579.db2.gz MEBOSDAOHXALJR-IBPBTGAJSA-N 1 3 296.415 -0.323 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625278 827382591 /nfs/dbraw/zinc/38/25/91/827382591.db2.gz MEBOSDAOHXALJR-IBPBTGAJSA-N 1 3 296.415 -0.323 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001268670831 827397955 /nfs/dbraw/zinc/39/79/55/827397955.db2.gz JFNYTNOQIWXYLC-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001269078209 827461651 /nfs/dbraw/zinc/46/16/51/827461651.db2.gz CHTQKWCQDKRSGE-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001269078209 827461656 /nfs/dbraw/zinc/46/16/56/827461656.db2.gz CHTQKWCQDKRSGE-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001269187238 827473200 /nfs/dbraw/zinc/47/32/00/827473200.db2.gz OYBQWCVNLUJYOD-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001269187238 827473204 /nfs/dbraw/zinc/47/32/04/827473204.db2.gz OYBQWCVNLUJYOD-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CN1CCC[C@H]1C(=O)N1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001270671761 827586583 /nfs/dbraw/zinc/58/65/83/827586583.db2.gz DYLXCNBMDRXEQZ-MJBXVCDLSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@]1(C[NH2+]CCO)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001270805968 827598324 /nfs/dbraw/zinc/59/83/24/827598324.db2.gz NCXRSSKRIRDFBG-CYBMUJFWSA-N 1 3 266.345 -0.227 20 0 CBADHO CC[N@H+](C)CC(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001271085532 827620841 /nfs/dbraw/zinc/62/08/41/827620841.db2.gz ZPNLXXCJOPQLSO-UHFFFAOYSA-N 1 3 291.399 -0.021 20 0 CBADHO CC[N@@H+](C)CC(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001271085532 827620846 /nfs/dbraw/zinc/62/08/46/827620846.db2.gz ZPNLXXCJOPQLSO-UHFFFAOYSA-N 1 3 291.399 -0.021 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCCF ZINC001272444551 827798706 /nfs/dbraw/zinc/79/87/06/827798706.db2.gz VXQJGMZRDUAJJM-NWDGAFQWSA-N 1 3 275.368 -0.103 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCCF ZINC001272444551 827798712 /nfs/dbraw/zinc/79/87/12/827798712.db2.gz VXQJGMZRDUAJJM-NWDGAFQWSA-N 1 3 275.368 -0.103 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001272616814 827827638 /nfs/dbraw/zinc/82/76/38/827827638.db2.gz PQLFCSPGOZVNLC-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001272616809 827827943 /nfs/dbraw/zinc/82/79/43/827827943.db2.gz PQLFCSPGOZVNLC-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001272828531 827842396 /nfs/dbraw/zinc/84/23/96/827842396.db2.gz AZIBQCFFZDRQQS-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CCOCCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273958198 827947041 /nfs/dbraw/zinc/94/70/41/827947041.db2.gz AOIRMLSWMRIEMG-OAHLLOKOSA-N 1 3 299.415 -0.112 20 0 CBADHO CNC(=O)CN1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274073497 827966425 /nfs/dbraw/zinc/96/64/25/827966425.db2.gz NYQZKIBIRBSPAY-AWEZNQCLSA-N 1 3 282.388 -0.782 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H]1CCNC1=O)[NH+](C)C ZINC001274339526 827983829 /nfs/dbraw/zinc/98/38/29/827983829.db2.gz OCIFMZYHGLYZFL-FBVTZJDUSA-N 1 3 296.415 -0.277 20 0 CBADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C[C@H](O)CO ZINC001274565754 828002216 /nfs/dbraw/zinc/00/22/16/828002216.db2.gz UEUCIBLXLNDMGV-DZGCQCFKSA-N 1 3 299.415 -0.642 20 0 CBADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001274581425 828006268 /nfs/dbraw/zinc/00/62/68/828006268.db2.gz SGCIHIXOIDJOMX-UHFFFAOYSA-N 1 3 287.379 -0.005 20 0 CBADHO COC[C@@H](O)CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274643445 828015410 /nfs/dbraw/zinc/01/54/10/828015410.db2.gz QFDROZCLZYTZGA-DZGCQCFKSA-N 1 3 299.415 -0.378 20 0 CBADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC(=O)N1 ZINC001275187257 828064491 /nfs/dbraw/zinc/06/44/91/828064491.db2.gz HGPLYBSHVOLBRE-MELADBBJSA-N 1 3 280.416 -0.025 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001276076408 828133343 /nfs/dbraw/zinc/13/33/43/828133343.db2.gz OWPFJQVPMZYZTC-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001276076281 828133357 /nfs/dbraw/zinc/13/33/57/828133357.db2.gz NATFOGQUYKJRND-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001277994957 828227806 /nfs/dbraw/zinc/22/78/06/828227806.db2.gz LSZVDUFKUWCENV-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001348307091 890590088 /nfs/dbraw/zinc/59/00/88/890590088.db2.gz OTDZBGYTWOIEIZ-ZETCQYMHSA-N 1 3 268.321 -0.871 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001349274268 890784985 /nfs/dbraw/zinc/78/49/85/890784985.db2.gz WGLWHBYYNKRSCQ-ONGXEEELSA-N 1 3 266.349 -0.505 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158685 884722366 /nfs/dbraw/zinc/72/23/66/884722366.db2.gz UKYCCNRXPLPVGZ-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1 ZINC001326092118 884904339 /nfs/dbraw/zinc/90/43/39/884904339.db2.gz VEVHJIYHAPEYGL-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO Cc1cncn1CC(=O)NC[C@@H]1CN(C)CCN1C ZINC001328784493 885813847 /nfs/dbraw/zinc/81/38/47/885813847.db2.gz FNYHGKFLSRGSCR-GFCCVEGCSA-N 1 3 265.361 -0.446 20 0 CBADHO Cc1cncn1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001328784493 885813859 /nfs/dbraw/zinc/81/38/59/885813859.db2.gz FNYHGKFLSRGSCR-GFCCVEGCSA-N 1 3 265.361 -0.446 20 0 CBADHO Cc1cncn1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001328784493 885813871 /nfs/dbraw/zinc/81/38/71/885813871.db2.gz FNYHGKFLSRGSCR-GFCCVEGCSA-N 1 3 265.361 -0.446 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC2(C[NH3+])CC2)n1 ZINC001329936544 886286237 /nfs/dbraw/zinc/28/62/37/886286237.db2.gz HYFPZKTZFPNVDK-UHFFFAOYSA-N 1 3 265.317 -0.614 20 0 CBADHO CN(CCOCC[NH3+])C(=O)c1[nH]nc2c1CNCC2 ZINC001330609134 886502219 /nfs/dbraw/zinc/50/22/19/886502219.db2.gz ZFDXUEKPZYELCU-UHFFFAOYSA-N 1 3 267.333 -0.897 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCO ZINC001331468985 886815320 /nfs/dbraw/zinc/81/53/20/886815320.db2.gz FZSMHJCEKYDTII-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO CCOCCN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331834408 887006202 /nfs/dbraw/zinc/00/62/02/887006202.db2.gz HLZGUPIAHHYLJS-NWDGAFQWSA-N 1 3 273.377 -0.959 20 0 CBADHO CCOCCN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331834408 887006213 /nfs/dbraw/zinc/00/62/13/887006213.db2.gz HLZGUPIAHHYLJS-NWDGAFQWSA-N 1 3 273.377 -0.959 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC001332283084 887183299 /nfs/dbraw/zinc/18/32/99/887183299.db2.gz XZYWJKMFQKSVPV-WDEREUQCSA-N 1 3 253.346 -0.519 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001332665958 887396174 /nfs/dbraw/zinc/39/61/74/887396174.db2.gz ZMIBVWNZIBXNNL-NSHDSACASA-N 1 3 254.334 -0.277 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001332665958 887396189 /nfs/dbraw/zinc/39/61/89/887396189.db2.gz ZMIBVWNZIBXNNL-NSHDSACASA-N 1 3 254.334 -0.277 20 0 CBADHO C[NH+]1CCC2(CC1)CN(C[C@H]1CNC(=O)C1)CCO2 ZINC001333608411 887713231 /nfs/dbraw/zinc/71/32/31/887713231.db2.gz ZKRKZQAPTDEDRM-GFCCVEGCSA-N 1 3 267.373 -0.081 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335603103 888579968 /nfs/dbraw/zinc/57/99/68/888579968.db2.gz IPKASTUGAWDXPG-QJPTWQEYSA-N 1 3 268.361 -0.774 20 0 CBADHO C[C@@H](NC(=O)c1c(CN)cnn1C)[C@@H]1CCC[NH2+]C1 ZINC001336709107 888852597 /nfs/dbraw/zinc/85/25/97/888852597.db2.gz QVUBUQBXJHWUQN-NXEZZACHSA-N 1 3 265.361 -0.003 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001336658858 888837186 /nfs/dbraw/zinc/83/71/86/888837186.db2.gz LPWCSKQOMRFXDQ-QJPTWQEYSA-N 1 3 254.378 -0.476 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340298715 889419754 /nfs/dbraw/zinc/41/97/54/889419754.db2.gz XAEBDXXMLJWTKQ-TZMCWYRMSA-N 1 3 266.389 -0.508 20 0 CBADHO CN(CCCCCC[NH3+])C(=O)[C@@H]1CNCCN1C ZINC001340954936 889524048 /nfs/dbraw/zinc/52/40/48/889524048.db2.gz UDAYPDQQVLWWSW-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO N[C@H](CC1CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056988 889535343 /nfs/dbraw/zinc/53/53/43/889535343.db2.gz RNCHYZGBBQFMNZ-GFCCVEGCSA-N 1 3 254.378 -0.347 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001341098375 889542615 /nfs/dbraw/zinc/54/26/15/889542615.db2.gz SJMVTYIXEZDVQI-NWDGAFQWSA-N 1 3 254.378 -0.476 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001341098377 889543117 /nfs/dbraw/zinc/54/31/17/889543117.db2.gz SJMVTYIXEZDVQI-VXGBXAGGSA-N 1 3 254.378 -0.476 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001341672956 889646692 /nfs/dbraw/zinc/64/66/92/889646692.db2.gz RHJKBJAPNCQWLQ-UMNHJUIQSA-N 1 3 255.362 -0.444 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001342021531 889696702 /nfs/dbraw/zinc/69/67/02/889696702.db2.gz LYPKEHUCYLSBCJ-UTUOFQBUSA-N 1 3 255.362 -0.361 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N[C@H]1C[NH2+]CC12CC2 ZINC001342200454 889730374 /nfs/dbraw/zinc/73/03/74/889730374.db2.gz IGSPAFRFEWBHSR-MNOVXSKESA-N 1 3 253.346 -0.377 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C ZINC001444035962 912334575 /nfs/dbraw/zinc/33/45/75/912334575.db2.gz NOYMRKWDMRVJAL-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(C[NH2+]C1CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001342695833 889819055 /nfs/dbraw/zinc/81/90/55/889819055.db2.gz KYCQKSNHXLXLFW-CHWSQXEVSA-N 1 3 267.373 -0.204 20 0 CBADHO N[C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001342704915 889819083 /nfs/dbraw/zinc/81/90/83/889819083.db2.gz OMLZUMNLGFULMK-ZDUSSCGKSA-N 1 3 262.357 -0.292 20 0 CBADHO [NH3+]C[C@H](O)CNC(=O)c1ccc2c(c1)OCCNC2 ZINC001344043807 889997392 /nfs/dbraw/zinc/99/73/92/889997392.db2.gz KXJANGUJEDIDHH-NSHDSACASA-N 1 3 265.313 -0.782 20 0 CBADHO C[NH+](C)CC1(C(=O)NCC2(NCC(N)=O)CCCC2)CC1 ZINC001444517945 912462824 /nfs/dbraw/zinc/46/28/24/912462824.db2.gz GBQGFLKJPQLMGW-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347060785 890396254 /nfs/dbraw/zinc/39/62/54/890396254.db2.gz ILNGVNMIKYDZOK-ZETCQYMHSA-N 1 3 268.321 -0.823 20 0 CBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001445434444 912664919 /nfs/dbraw/zinc/66/49/19/912664919.db2.gz FOCJWEORKXVDSO-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001445604066 912710048 /nfs/dbraw/zinc/71/00/48/912710048.db2.gz HELDWSPEAQKFFZ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001445660882 912729600 /nfs/dbraw/zinc/72/96/00/912729600.db2.gz XDPRSBBCBSIQRU-LBPRGKRZSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001445967248 912791322 /nfs/dbraw/zinc/79/13/22/912791322.db2.gz KYFIFYWPEWWDRP-LLVKDONJSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCOCCO ZINC001152426472 884676150 /nfs/dbraw/zinc/67/61/50/884676150.db2.gz JGXDAGSHVWUZCG-UHFFFAOYSA-N 1 3 261.366 -0.959 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001446255352 912851306 /nfs/dbraw/zinc/85/13/06/912851306.db2.gz CWRLRRLFIIANRA-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001446255352 912851322 /nfs/dbraw/zinc/85/13/22/912851322.db2.gz CWRLRRLFIIANRA-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179763318 884708642 /nfs/dbraw/zinc/70/86/42/884708642.db2.gz GYWATJOJLQLVMT-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001187321522 884718746 /nfs/dbraw/zinc/71/87/46/884718746.db2.gz BXRUCPKRPVEOJS-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001188158209 884722479 /nfs/dbraw/zinc/72/24/79/884722479.db2.gz HJIAVEYKXACXFT-CYBMUJFWSA-N 1 3 294.403 -0.191 20 0 CBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001200796066 884742951 /nfs/dbraw/zinc/74/29/51/884742951.db2.gz SDNGSJLBBCWVNA-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203459754 884749840 /nfs/dbraw/zinc/74/98/40/884749840.db2.gz JKQROOMCBXGPCQ-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CC(=O)N1CCC[C@@H](CN2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206464537 884758125 /nfs/dbraw/zinc/75/81/25/884758125.db2.gz PWVFTHPAVSFCHQ-RWMBFGLXSA-N 1 3 255.362 -0.504 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001210811967 884765313 /nfs/dbraw/zinc/76/53/13/884765313.db2.gz SEUGBQKYSMJNPY-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC2(CC[NH2+]2)CC1 ZINC001326144784 884918825 /nfs/dbraw/zinc/91/88/25/884918825.db2.gz NZMCRJBITWWCCZ-NSHDSACASA-N 1 3 253.346 -0.281 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001326165140 884931586 /nfs/dbraw/zinc/93/15/86/884931586.db2.gz IQGGLBDLWDGWHH-VHSXEESVSA-N 1 3 261.391 -0.357 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001326329523 884987603 /nfs/dbraw/zinc/98/76/03/884987603.db2.gz CEPUIAAXLWJPMA-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCN(C)CC2)CCN1C ZINC001326599743 885079959 /nfs/dbraw/zinc/07/99/59/885079959.db2.gz PUCPHEPOUGCBGZ-QLFBSQMISA-N 1 3 284.448 -0.333 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886922 885183038 /nfs/dbraw/zinc/18/30/38/885183038.db2.gz VWUIYZMIJGELIL-MXWKQRLJSA-N 1 3 262.375 -0.605 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001326969488 885208726 /nfs/dbraw/zinc/20/87/26/885208726.db2.gz QEXVTYDUUNEAKC-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001326969488 885208740 /nfs/dbraw/zinc/20/87/40/885208740.db2.gz QEXVTYDUUNEAKC-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CC[C@@H]1CC[NH2+]C1 ZINC001327087980 885251226 /nfs/dbraw/zinc/25/12/26/885251226.db2.gz WAMSUYUGZPRFAQ-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC001328438522 885687902 /nfs/dbraw/zinc/68/79/02/885687902.db2.gz ZTUJOXHHXHTDGR-MELADBBJSA-N 1 3 269.389 -0.494 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328455024 885693141 /nfs/dbraw/zinc/69/31/41/885693141.db2.gz MVRAKQNSECWDJR-ZIAGYGMSSA-N 1 3 298.431 -0.506 20 0 CBADHO NCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001328522403 885715006 /nfs/dbraw/zinc/71/50/06/885715006.db2.gz MFGMDEPXTYRVPN-MNOVXSKESA-N 1 3 268.361 -0.948 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)N1CCNCC1)C2 ZINC001328730684 885795926 /nfs/dbraw/zinc/79/59/26/885795926.db2.gz OUDNMIRXIWNZIL-JSGCOSHPSA-N 1 3 266.389 -0.521 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039221 913004973 /nfs/dbraw/zinc/00/49/73/913004973.db2.gz KFBIHJMAIIVDQI-HIFRSBDPSA-N 1 3 299.415 -0.736 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039221 913004994 /nfs/dbraw/zinc/00/49/94/913004994.db2.gz KFBIHJMAIIVDQI-HIFRSBDPSA-N 1 3 299.415 -0.736 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[NH2+]3)C2)nn1 ZINC001329497926 886098122 /nfs/dbraw/zinc/09/81/22/886098122.db2.gz AHEJXADFCOMUIJ-GHMZBOCLSA-N 1 3 264.333 -0.738 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CCC[NH2+]CC2)n1 ZINC001329568385 886125466 /nfs/dbraw/zinc/12/54/66/886125466.db2.gz FKOUCAVPQKAEHE-VIFPVBQESA-N 1 3 251.334 -0.127 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC001329838260 886233461 /nfs/dbraw/zinc/23/34/61/886233461.db2.gz OLCQNRJJJNQEIN-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C/C=C\CN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862248 886244541 /nfs/dbraw/zinc/24/45/41/886244541.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C\C[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862248 886244562 /nfs/dbraw/zinc/24/45/62/886244562.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C\C[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862248 886244581 /nfs/dbraw/zinc/24/45/81/886244581.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C\C[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862248 886244602 /nfs/dbraw/zinc/24/46/02/886244602.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C\C[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862248 886244623 /nfs/dbraw/zinc/24/46/23/886244623.db2.gz HUQGDDLZKDEXNE-XVGAQQEPSA-N 1 3 280.372 -0.817 20 0 CBADHO Cn1cc([C@@H]2CN(C[C@H]3CNCCO3)C[C@H]2[NH3+])cn1 ZINC001329924687 886279800 /nfs/dbraw/zinc/27/98/00/886279800.db2.gz AUVKDMCSBVELDN-FRRDWIJNSA-N 1 3 265.361 -0.865 20 0 CBADHO O=C(CC[NH2+]CC1CC1)N1CCOC2(CNC2)C1 ZINC001330033469 886331881 /nfs/dbraw/zinc/33/18/81/886331881.db2.gz BOINIWJXVYTDIX-UHFFFAOYSA-N 1 3 253.346 -0.423 20 0 CBADHO C[NH2+]CCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330592262 886493760 /nfs/dbraw/zinc/49/37/60/886493760.db2.gz OTYQLUYGNJSFCP-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001330603263 886498296 /nfs/dbraw/zinc/49/82/96/886498296.db2.gz RVCAEIQIWUQIBU-WPRPVWTQSA-N 1 3 251.334 -0.264 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC001331196037 886721838 /nfs/dbraw/zinc/72/18/38/886721838.db2.gz IPTIUCLNCVOBBL-AVGNSLFASA-N 1 3 294.399 -0.463 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC001331219452 886734677 /nfs/dbraw/zinc/73/46/77/886734677.db2.gz IPTIUCLNCVOBBL-XQQFMLRXSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(N)=O ZINC001331406931 886797728 /nfs/dbraw/zinc/79/77/28/886797728.db2.gz PICCISDWSISZES-UWVGGRQHSA-N 1 3 256.350 -0.998 20 0 CBADHO COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCN1C(C)C ZINC001331712365 886926849 /nfs/dbraw/zinc/92/68/49/886926849.db2.gz OBTQBULNFYFLGR-CHWSQXEVSA-N 1 3 287.404 -0.428 20 0 CBADHO C[NH+](C)C[C@]1(O)CCCN(C[C@H]2CNC(=O)C2)C1 ZINC001331791246 886986233 /nfs/dbraw/zinc/98/62/33/886986233.db2.gz MIUCLANEVZUIJN-DGCLKSJQSA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CC[NH+](C[C@@H](O)CNCc2ccon2)CC1 ZINC001331961312 887066257 /nfs/dbraw/zinc/06/62/57/887066257.db2.gz YIFSVTXJUWQIIA-LBPRGKRZSA-N 1 3 254.334 -0.628 20 0 CBADHO COCC[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001331969354 887068938 /nfs/dbraw/zinc/06/89/38/887068938.db2.gz OIJBIOSGYFZQIE-NKWVEPMBSA-N 1 3 257.256 -0.254 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCCCC1 ZINC001332206125 887153908 /nfs/dbraw/zinc/15/39/08/887153908.db2.gz HOXLMGQJBCABMZ-AGIUHOORSA-N 1 3 294.399 -0.450 20 0 CBADHO COCCNCC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001332282746 887183077 /nfs/dbraw/zinc/18/30/77/887183077.db2.gz VFODJXPBWPSIRK-ZIAGYGMSSA-N 1 3 299.415 -0.033 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC001332283080 887183324 /nfs/dbraw/zinc/18/33/24/887183324.db2.gz XZYWJKMFQKSVPV-MNOVXSKESA-N 1 3 253.346 -0.519 20 0 CBADHO [NH3+]C[C@H]1CCN(C[C@H](O)COC2CCOCC2)C1 ZINC001332365429 887231480 /nfs/dbraw/zinc/23/14/80/887231480.db2.gz SLOQNPNSKGBWLM-NEPJUHHUSA-N 1 3 258.362 -0.177 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001332724990 887417471 /nfs/dbraw/zinc/41/74/71/887417471.db2.gz QKMOWDNLKMZTKA-UONOGXRCSA-N 1 3 299.463 -0.592 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(Cn3cncn3)CC2)C1 ZINC001332815248 887436793 /nfs/dbraw/zinc/43/67/93/887436793.db2.gz HEIPDQGSNUWPLO-AVGNSLFASA-N 1 3 265.361 -0.159 20 0 CBADHO C[C@H]1CCN(C(=O)c2c(CN)cnn2C)C[C@@H]1C[NH3+] ZINC001333338893 887601927 /nfs/dbraw/zinc/60/19/27/887601927.db2.gz TXBLNFMFPYMQLL-ONGXEEELSA-N 1 3 265.361 -0.064 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC001333336921 887602616 /nfs/dbraw/zinc/60/26/16/887602616.db2.gz RKMJTQRXYXDWAK-QWHCGFSZSA-N 1 3 284.404 -0.754 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001333339557 887603172 /nfs/dbraw/zinc/60/31/72/887603172.db2.gz ZLPOTNJFLHLVJZ-IUCAKERBSA-N 1 3 255.297 -0.691 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333635647 887728997 /nfs/dbraw/zinc/72/89/97/887728997.db2.gz KBRNSTAIFUNMJC-CBAPKCEASA-N 1 3 265.317 -0.745 20 0 CBADHO CN(Cc1nc2c(s1)CNCC2)C[C@@H](O)C[NH3+] ZINC001333671566 887740674 /nfs/dbraw/zinc/74/06/74/887740674.db2.gz KDGZRGIGTBNBPF-QMMMGPOBSA-N 1 3 256.375 -0.460 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C=CCC1 ZINC001334256042 887907851 /nfs/dbraw/zinc/90/78/51/887907851.db2.gz YTTZUQPSWMPXPJ-ZDUSSCGKSA-N 1 3 296.415 -0.227 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCNCC1)C2 ZINC001334762023 888312346 /nfs/dbraw/zinc/31/23/46/888312346.db2.gz CWYVZBIUHFCRHQ-SRVKXCTJSA-N 1 3 252.362 -0.770 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cn(CC(N)=O)nn1 ZINC001334826646 888339795 /nfs/dbraw/zinc/33/97/95/888339795.db2.gz GQRYNHOLLQVUTD-NXEZZACHSA-N 1 3 266.349 -0.901 20 0 CBADHO c1ncn([C@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190600 888438534 /nfs/dbraw/zinc/43/85/34/888438534.db2.gz TUPDHLNFQQMFDY-RYUDHWBXSA-N 1 3 263.345 -0.097 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841234 888643215 /nfs/dbraw/zinc/64/32/15/888643215.db2.gz BHZAJGIZHUDJKL-PJSNJIKXSA-N 1 3 265.357 -0.426 20 0 CBADHO O=C1NC(=O)C2(CC[NH+](C[C@@H](O)CN3CCCC3)CC2)N1 ZINC001336050527 888685177 /nfs/dbraw/zinc/68/51/77/888685177.db2.gz CKAPGSRMVJEMPO-NSHDSACASA-N 1 3 296.371 -0.883 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)c1c(CN)cnn1C ZINC001336709332 888852194 /nfs/dbraw/zinc/85/21/94/888852194.db2.gz VMDBQIAPUSGKID-UHFFFAOYSA-N 1 3 253.350 -0.003 20 0 CBADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)Nc1ccncc1 ZINC001336751449 888866092 /nfs/dbraw/zinc/86/60/92/888866092.db2.gz REDSWWFDJZKPLZ-CQSZACIVSA-N 1 3 292.383 -0.122 20 0 CBADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)Nc1ccncc1 ZINC001336751448 888867606 /nfs/dbraw/zinc/86/76/06/888867606.db2.gz REDSWWFDJZKPLZ-AWEZNQCLSA-N 1 3 292.383 -0.122 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001336798093 888883324 /nfs/dbraw/zinc/88/33/24/888883324.db2.gz VJPVFFBRSRRQHD-GHMZBOCLSA-N 1 3 258.366 -0.528 20 0 CBADHO Cc1cc(NC(=O)CCNC[C@]2(O)CC[N@@H+](C)C2)no1 ZINC001338504614 889171165 /nfs/dbraw/zinc/17/11/65/889171165.db2.gz DZEOBXOXFIMVSB-CYBMUJFWSA-N 1 3 282.344 -0.032 20 0 CBADHO Cc1cc(NC(=O)CCNC[C@]2(O)CC[N@H+](C)C2)no1 ZINC001338504614 889171170 /nfs/dbraw/zinc/17/11/70/889171170.db2.gz DZEOBXOXFIMVSB-CYBMUJFWSA-N 1 3 282.344 -0.032 20 0 CBADHO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001338534209 889173843 /nfs/dbraw/zinc/17/38/43/889173843.db2.gz CXMGGJXGXUPOPY-RRFJBIMHSA-N 1 3 284.448 -0.333 20 0 CBADHO NCC(C[NH3+])NCc1cc(=O)n2ccsc2n1 ZINC001339912086 889344143 /nfs/dbraw/zinc/34/41/43/889344143.db2.gz DDQLFHJYPSWPGF-UHFFFAOYSA-N 1 3 253.331 -0.868 20 0 CBADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1cnnn1C ZINC001339999094 889361827 /nfs/dbraw/zinc/36/18/27/889361827.db2.gz SBWWJEVDQDGPBI-SNVBAGLBSA-N 1 3 253.350 -0.078 20 0 CBADHO CN1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340112093 889385779 /nfs/dbraw/zinc/38/57/79/889385779.db2.gz MCKDNOJWYSBPRZ-HNNXBMFYSA-N 1 3 298.431 -0.755 20 0 CBADHO CCCN(CCN(C)C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340646770 889460303 /nfs/dbraw/zinc/46/03/03/889460303.db2.gz ABVJRMUBUPZTPE-YPMHNXCESA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CCN1 ZINC001340280281 889417812 /nfs/dbraw/zinc/41/78/12/889417812.db2.gz FSFVMPJCCZPHCO-DMDPSCGWSA-N 1 3 255.362 -0.444 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CNCCN1C ZINC001340538731 889446635 /nfs/dbraw/zinc/44/66/35/889446635.db2.gz JUAOWSJKABCAHH-CYBMUJFWSA-N 1 3 270.421 -0.016 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CNCCN1C ZINC001340538731 889446642 /nfs/dbraw/zinc/44/66/42/889446642.db2.gz JUAOWSJKABCAHH-CYBMUJFWSA-N 1 3 270.421 -0.016 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC001340736408 889475857 /nfs/dbraw/zinc/47/58/57/889475857.db2.gz RWIPHNDRQHXIEL-QWHCGFSZSA-N 1 3 265.357 -0.405 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC001340860998 889501694 /nfs/dbraw/zinc/50/16/94/889501694.db2.gz APYPZLDLZZFHHM-JTQLQIEISA-N 1 3 255.362 -0.313 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CNCCN2C)C[C@H]1CC[NH3+] ZINC001341024242 889534306 /nfs/dbraw/zinc/53/43/06/889534306.db2.gz FGFUFBMRQVXFKN-IJLUTSLNSA-N 1 3 254.378 -0.667 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001341547328 889620126 /nfs/dbraw/zinc/62/01/26/889620126.db2.gz MQAZHKAUTBEWLN-IJLUTSLNSA-N 1 3 252.362 -0.757 20 0 CBADHO CC1CCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001341556252 889622488 /nfs/dbraw/zinc/62/24/88/889622488.db2.gz XSTAVSFZEKRHSM-GXTWGEPZSA-N 1 3 269.389 -0.053 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCN1 ZINC001341659622 889641776 /nfs/dbraw/zinc/64/17/76/889641776.db2.gz OMGQTHQBOYCXEV-QWHCGFSZSA-N 1 3 296.415 -0.360 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCN1 ZINC001341799098 889666618 /nfs/dbraw/zinc/66/66/18/889666618.db2.gz SHMGXRHXQXACSO-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)N2CCC3(CC2)CNCCO3)C1 ZINC001341949904 889689350 /nfs/dbraw/zinc/68/93/50/889689350.db2.gz IKZKEVSWEAQUBT-XYPYZODXSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001342021529 889697403 /nfs/dbraw/zinc/69/74/03/889697403.db2.gz LYPKEHUCYLSBCJ-IJLUTSLNSA-N 1 3 255.362 -0.361 20 0 CBADHO C[C@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC[NH2+]C1 ZINC001342125552 889714458 /nfs/dbraw/zinc/71/44/58/889714458.db2.gz KZNYASCWGAKELG-JQWIXIFHSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342200453 889730863 /nfs/dbraw/zinc/73/08/63/889730863.db2.gz IGSPAFRFEWBHSR-GHMZBOCLSA-N 1 3 253.346 -0.377 20 0 CBADHO COC[C@]1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCCN1 ZINC001342213193 889734070 /nfs/dbraw/zinc/73/40/70/889734070.db2.gz NNNBWFSMGCRTLN-GVXVVHGQSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@H]1C[C@H](C(=O)N[C@H]2COC3(CNC3)C2)CC[NH2+]1 ZINC001342215811 889734094 /nfs/dbraw/zinc/73/40/94/889734094.db2.gz PNMGXVNIYAYGSW-GMTAPVOTSA-N 1 3 253.346 -0.378 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCN1C ZINC001342571841 889795877 /nfs/dbraw/zinc/79/58/77/889795877.db2.gz YMVUHMGICRPZBA-WOPDTQHZSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@H]1C[NH2+]CCN1C ZINC001342628246 889804711 /nfs/dbraw/zinc/80/47/11/889804711.db2.gz GJTWACTXYVLMOQ-NNYUYHANSA-N 1 3 254.378 -0.513 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001342696029 889818841 /nfs/dbraw/zinc/81/88/41/889818841.db2.gz LFZABOOUMGOPJR-RWMBFGLXSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC1)CNCCO2 ZINC001342824488 889832098 /nfs/dbraw/zinc/83/20/98/889832098.db2.gz XARIELILRWXWFX-GDNZZTSVSA-N 1 3 265.357 -0.567 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343031305 889859557 /nfs/dbraw/zinc/85/95/57/889859557.db2.gz GFMQPCGMVGPJDF-AAEUAGOBSA-N 1 3 252.362 -0.756 20 0 CBADHO C[C@@H]1NCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H]1C ZINC001343484916 889918677 /nfs/dbraw/zinc/91/86/77/889918677.db2.gz BHVZVMCJFAKVCO-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001343918828 889977193 /nfs/dbraw/zinc/97/71/93/889977193.db2.gz IGSIRXBMIYPQPC-OBJOEFQTSA-N 1 3 266.389 -0.523 20 0 CBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001344012000 889989523 /nfs/dbraw/zinc/98/95/23/889989523.db2.gz SLSLYKSCFUECQJ-AOIOQCJFSA-N 1 3 265.357 -0.355 20 0 CBADHO CN1CCNC[C@H]1C(=O)N(CC[NH3+])CC(F)(F)F ZINC001344527142 890034720 /nfs/dbraw/zinc/03/47/20/890034720.db2.gz GFQATNOMLGWANM-QMMMGPOBSA-N 1 3 268.283 -0.760 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C1(N)CC1)C2 ZINC001344667728 890051803 /nfs/dbraw/zinc/05/18/03/890051803.db2.gz VRMHLTWCLPQVOA-SBMIAAHKSA-N 1 3 267.329 -0.783 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001344988547 890086642 /nfs/dbraw/zinc/08/66/42/890086642.db2.gz MFOAHYIQNDJHDY-KOLCDFICSA-N 1 3 261.391 -0.621 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345512828 890138136 /nfs/dbraw/zinc/13/81/36/890138136.db2.gz DIHIYFCJDAADMW-NOOOWODRSA-N 1 3 253.346 -0.236 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345500000 890138600 /nfs/dbraw/zinc/13/86/00/890138600.db2.gz DIHIYFCJDAADMW-NNYUYHANSA-N 1 3 253.346 -0.236 20 0 CBADHO COCCNCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001345780210 890165138 /nfs/dbraw/zinc/16/51/38/890165138.db2.gz BHRADKOIDOXFAH-CYBMUJFWSA-N 1 3 299.415 -0.161 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001345821751 890170361 /nfs/dbraw/zinc/17/03/61/890170361.db2.gz FILFEXRNWUZNKW-UWVGGRQHSA-N 1 3 254.334 -0.310 20 0 CBADHO C[N@H+](C[C@@H](O)CNCC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298787 890259663 /nfs/dbraw/zinc/25/96/63/890259663.db2.gz HRXNNOYFQLJTCB-KBPBESRZSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298787 890259682 /nfs/dbraw/zinc/25/96/82/890259682.db2.gz HRXNNOYFQLJTCB-KBPBESRZSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@H+](C[C@H](O)CNCC[C@]1(O)CCCOC1)C1CC1 ZINC001346298790 890262195 /nfs/dbraw/zinc/26/21/95/890262195.db2.gz HRXNNOYFQLJTCB-ZIAGYGMSSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@@H+](C[C@H](O)CNCC[C@]1(O)CCCOC1)C1CC1 ZINC001346298790 890262213 /nfs/dbraw/zinc/26/22/13/890262213.db2.gz HRXNNOYFQLJTCB-ZIAGYGMSSA-N 1 3 272.389 -0.037 20 0 CBADHO CC(C)(C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347061957 890396846 /nfs/dbraw/zinc/39/68/46/890396846.db2.gz VBKJQTFMCRWESG-UHFFFAOYSA-N 1 3 268.321 -0.823 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347156679 890417624 /nfs/dbraw/zinc/41/76/24/890417624.db2.gz ALLGFEMVIPUDHC-CHWSQXEVSA-N 1 3 284.404 -0.896 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347156682 890418229 /nfs/dbraw/zinc/41/82/29/890418229.db2.gz ALLGFEMVIPUDHC-STQMWFEESA-N 1 3 284.404 -0.896 20 0 CBADHO NS(=O)(=O)CCCCNC[C@H](O)C[NH+]1CCCC1 ZINC001348447121 890626243 /nfs/dbraw/zinc/62/62/43/890626243.db2.gz NGTUGBNHNBLCRY-NSHDSACASA-N 1 3 279.406 -0.899 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001349274266 890787182 /nfs/dbraw/zinc/78/71/82/890787182.db2.gz WGLWHBYYNKRSCQ-KOLCDFICSA-N 1 3 266.349 -0.505 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349807117 890895101 /nfs/dbraw/zinc/89/51/01/890895101.db2.gz CIZOORQJVHRFNN-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058842 890931207 /nfs/dbraw/zinc/93/12/07/890931207.db2.gz VCDTUCSUVQORRR-TUAOUCFPSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[NH2+]CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001350405865 890979803 /nfs/dbraw/zinc/97/98/03/890979803.db2.gz WCUBCQGACXWQHU-UHFFFAOYSA-N 1 3 253.306 -0.745 20 0 CBADHO C[NH+](C)CCOCCN[C@H]1C(=O)NCC12CCOCC2 ZINC001350965120 891079908 /nfs/dbraw/zinc/07/99/08/891079908.db2.gz MZGWVWJENCUVJP-LBPRGKRZSA-N 1 3 285.388 -0.551 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001352839702 891303721 /nfs/dbraw/zinc/30/37/21/891303721.db2.gz QCAXVOWRUFTWQV-JTQLQIEISA-N 1 3 252.318 -0.245 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC001353056211 891350707 /nfs/dbraw/zinc/35/07/07/891350707.db2.gz UDSGBQJOGFZATK-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001353496712 891437502 /nfs/dbraw/zinc/43/75/02/891437502.db2.gz TYGPKODSASPTTF-GXSJLCMTSA-N 1 3 255.362 -0.315 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001353496712 891437506 /nfs/dbraw/zinc/43/75/06/891437506.db2.gz TYGPKODSASPTTF-GXSJLCMTSA-N 1 3 255.362 -0.315 20 0 CBADHO C[C@H](NC(=O)[C@@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001354523109 891588980 /nfs/dbraw/zinc/58/89/80/891588980.db2.gz ICSRECHZEMPTQY-JQWIXIFHSA-N 1 3 254.378 -0.606 20 0 CBADHO CN(C)CC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001354905367 891627846 /nfs/dbraw/zinc/62/78/46/891627846.db2.gz OZMGFVBVZFIAFT-ZDUSSCGKSA-N 1 3 263.345 -0.455 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001354894265 891627962 /nfs/dbraw/zinc/62/79/62/891627962.db2.gz UAHXJSZVAXXFBM-BJDJZHNGSA-N 1 3 255.362 -0.038 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001357445607 891895351 /nfs/dbraw/zinc/89/53/51/891895351.db2.gz MQFCVGQPBNLIHC-LLVKDONJSA-N 1 3 254.378 -0.604 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357946124 891948027 /nfs/dbraw/zinc/94/80/27/891948027.db2.gz UMUOUXZRPONNRG-WDEREUQCSA-N 1 3 257.378 -0.067 20 0 CBADHO N[C@@H]1CCCn2nc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc21 ZINC001357969744 891953341 /nfs/dbraw/zinc/95/33/41/891953341.db2.gz OBIFRJMJUVNXID-LPEHRKFASA-N 1 3 261.329 -0.137 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC001357981437 891954144 /nfs/dbraw/zinc/95/41/44/891954144.db2.gz QGXWRRXVVUXLEA-NSHDSACASA-N 1 3 254.378 -0.332 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001358001531 891957223 /nfs/dbraw/zinc/95/72/23/891957223.db2.gz QEYFFSLXWSDNBP-OUAUKWLOSA-N 1 3 269.345 -0.380 20 0 CBADHO COCCNCC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358082670 891967503 /nfs/dbraw/zinc/96/75/03/891967503.db2.gz VTEWQHGLOBZHJJ-GFCCVEGCSA-N 1 3 285.388 -0.503 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CCN1C ZINC001358187265 891980053 /nfs/dbraw/zinc/98/00/53/891980053.db2.gz VXBNCOSVLIAKCP-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CCN(CC2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001362926948 893177898 /nfs/dbraw/zinc/17/78/98/893177898.db2.gz RTTDMKDHGHLTOQ-UHFFFAOYSA-N 1 3 292.427 -0.212 20 0 CBADHO COCCN(CC1CC[NH+](C)CC1)c1nc(N)nc(N)n1 ZINC001363745481 893958616 /nfs/dbraw/zinc/95/86/16/893958616.db2.gz QKMMIDXZXUVSDT-UHFFFAOYSA-N 1 3 295.391 -0.169 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001365827329 895128696 /nfs/dbraw/zinc/12/86/96/895128696.db2.gz SRNWWFQWDRVPFT-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001365833528 895131896 /nfs/dbraw/zinc/13/18/96/895131896.db2.gz ITPHIHPJOXGWTJ-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366103528 895190588 /nfs/dbraw/zinc/19/05/88/895190588.db2.gz ISGQVJBKYGKZDB-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001366103083 895191223 /nfs/dbraw/zinc/19/12/23/895191223.db2.gz DXIKFKOLAXQVIB-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001366103621 895191749 /nfs/dbraw/zinc/19/17/49/895191749.db2.gz SBONFGBMVHZUER-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001366125466 895200518 /nfs/dbraw/zinc/20/05/18/895200518.db2.gz UCXUXUHMRBDHOY-FDYHWXHSSA-N 1 3 296.415 -0.302 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001366150218 895208335 /nfs/dbraw/zinc/20/83/35/895208335.db2.gz OAXYCLDNOLXVNI-TXEJJXNPSA-N 1 3 296.415 -0.156 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366147574 895210484 /nfs/dbraw/zinc/21/04/84/895210484.db2.gz FNCOZKHPFBLCKE-MBNYWOFBSA-N 1 3 299.415 -0.285 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001366173932 895211529 /nfs/dbraw/zinc/21/15/29/895211529.db2.gz WEXFDXUZHLWAST-WYUUTHIRSA-N 1 3 284.404 -0.317 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001366187027 895218718 /nfs/dbraw/zinc/21/87/18/895218718.db2.gz ANMDRMQHSDBSTN-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334103 895280386 /nfs/dbraw/zinc/28/03/86/895280386.db2.gz LMZNPQONFNGCJB-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001366388296 895304685 /nfs/dbraw/zinc/30/46/85/895304685.db2.gz AEBWJDDEJQNQLX-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001366388296 895304696 /nfs/dbraw/zinc/30/46/96/895304696.db2.gz AEBWJDDEJQNQLX-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366385898 895305950 /nfs/dbraw/zinc/30/59/50/895305950.db2.gz NQQGZROIZYNOBJ-LBPRGKRZSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001366387072 895306921 /nfs/dbraw/zinc/30/69/21/895306921.db2.gz DLQDMYADVOPOAN-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001366508733 895341585 /nfs/dbraw/zinc/34/15/85/895341585.db2.gz LHMQJEDSWZKXQC-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO O=C(NCCN(CCO)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001366746953 895448195 /nfs/dbraw/zinc/44/81/95/895448195.db2.gz SPPCLWNKIGJKIJ-AWEZNQCLSA-N 1 3 281.400 -0.099 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)C(C)C)C1=O ZINC001366775062 895456311 /nfs/dbraw/zinc/45/63/11/895456311.db2.gz MACVSHZZPUGRKW-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001366784443 895460032 /nfs/dbraw/zinc/46/00/32/895460032.db2.gz ZFRBUXYOKXDREK-SNVBAGLBSA-N 1 3 293.371 -0.346 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366779044 895461001 /nfs/dbraw/zinc/46/10/01/895461001.db2.gz QRVVWMXKYCZMMJ-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366779044 895461005 /nfs/dbraw/zinc/46/10/05/895461005.db2.gz QRVVWMXKYCZMMJ-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001366779465 895461830 /nfs/dbraw/zinc/46/18/30/895461830.db2.gz XIEOEQBUFGHXKP-QWHCGFSZSA-N 1 3 298.431 -0.149 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(N)=O ZINC001367126848 895569231 /nfs/dbraw/zinc/56/92/31/895569231.db2.gz VXCJJHVOFDGTFZ-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001367130576 895570836 /nfs/dbraw/zinc/57/08/36/895570836.db2.gz XECXEXILDGZUOH-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC ZINC001367131693 895574476 /nfs/dbraw/zinc/57/44/76/895574476.db2.gz JWIKHZVZAMBRQS-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367281795 895601690 /nfs/dbraw/zinc/60/16/90/895601690.db2.gz AMQIPHLXOGNACZ-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001367416946 895635306 /nfs/dbraw/zinc/63/53/06/895635306.db2.gz SFWKXLXXQARAHM-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001367451825 895639812 /nfs/dbraw/zinc/63/98/12/895639812.db2.gz VIDCVEJIQDESLY-NWDGAFQWSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001367674823 895741782 /nfs/dbraw/zinc/74/17/82/895741782.db2.gz FHFWSVWORQFCTJ-RISCZKNCSA-N 1 3 298.431 -0.055 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367681724 895743003 /nfs/dbraw/zinc/74/30/03/895743003.db2.gz ABBWEILYTCQVNX-RYUDHWBXSA-N 1 3 286.420 -0.116 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001367690673 895750736 /nfs/dbraw/zinc/75/07/36/895750736.db2.gz OARSQYZLSLJALT-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367697012 895753145 /nfs/dbraw/zinc/75/31/45/895753145.db2.gz UOZSKJTYTAVAEX-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001367710083 895758601 /nfs/dbraw/zinc/75/86/01/895758601.db2.gz AMYVQRFRKFVXHX-KOLCDFICSA-N 1 3 284.360 -0.638 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367751663 895783213 /nfs/dbraw/zinc/78/32/13/895783213.db2.gz CHXUXUWCGSCLCI-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001367758594 895793234 /nfs/dbraw/zinc/79/32/34/895793234.db2.gz YGDMAIDXUCTYJL-DCAQKATOSA-N 1 3 272.393 -0.445 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367765131 895797443 /nfs/dbraw/zinc/79/74/43/895797443.db2.gz MFUDWVFWKLUQGK-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367765131 895797462 /nfs/dbraw/zinc/79/74/62/895797462.db2.gz MFUDWVFWKLUQGK-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001367775874 895800320 /nfs/dbraw/zinc/80/03/20/895800320.db2.gz JFQXHAZMVKGBMK-WDEREUQCSA-N 1 3 272.393 -0.445 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367772958 895800826 /nfs/dbraw/zinc/80/08/26/895800826.db2.gz UXWKWIXAJOVKPR-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367772958 895800834 /nfs/dbraw/zinc/80/08/34/895800834.db2.gz UXWKWIXAJOVKPR-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367772306 895801414 /nfs/dbraw/zinc/80/14/14/895801414.db2.gz RQOFNCNVOKCALM-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367772306 895801422 /nfs/dbraw/zinc/80/14/22/895801422.db2.gz RQOFNCNVOKCALM-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO CN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001367900609 895850171 /nfs/dbraw/zinc/85/01/71/895850171.db2.gz LHRTZPMCSJMAFT-GFCCVEGCSA-N 1 3 298.431 -0.066 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001368104049 895914293 /nfs/dbraw/zinc/91/42/93/895914293.db2.gz ALPKPXWDOPNHIN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001368238036 895938917 /nfs/dbraw/zinc/93/89/17/895938917.db2.gz BAKOMHGWELESFY-UHFFFAOYSA-N 1 3 296.371 -0.492 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001368654810 896054946 /nfs/dbraw/zinc/05/49/46/896054946.db2.gz NQZBWRUPQJRRJC-RYUDHWBXSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CC(N)=O ZINC001368654079 896055871 /nfs/dbraw/zinc/05/58/71/896055871.db2.gz NQZBWRUPQJRRJC-NEPJUHHUSA-N 1 3 298.431 -0.114 20 0 CBADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001369188900 896169310 /nfs/dbraw/zinc/16/93/10/896169310.db2.gz ZPXVCKSANSBTRY-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369272905 896184933 /nfs/dbraw/zinc/18/49/33/896184933.db2.gz NPYNTYNKKCLPIQ-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001369294974 896189280 /nfs/dbraw/zinc/18/92/80/896189280.db2.gz WCQGSBUULQMFQB-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299849 896190536 /nfs/dbraw/zinc/19/05/36/896190536.db2.gz CGZFTDUUBCHLCR-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299849 896190544 /nfs/dbraw/zinc/19/05/44/896190544.db2.gz CGZFTDUUBCHLCR-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369316643 896206536 /nfs/dbraw/zinc/20/65/36/896206536.db2.gz XMAXKDPVCIERST-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001369386260 896250972 /nfs/dbraw/zinc/25/09/72/896250972.db2.gz SHCAYRATGBYEQR-VHSXEESVSA-N 1 3 297.321 -0.043 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001369386260 896250976 /nfs/dbraw/zinc/25/09/76/896250976.db2.gz SHCAYRATGBYEQR-VHSXEESVSA-N 1 3 297.321 -0.043 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001369386250 896251163 /nfs/dbraw/zinc/25/11/63/896251163.db2.gz SHCAYRATGBYEQR-NXEZZACHSA-N 1 3 297.321 -0.043 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001369386250 896251173 /nfs/dbraw/zinc/25/11/73/896251173.db2.gz SHCAYRATGBYEQR-NXEZZACHSA-N 1 3 297.321 -0.043 20 0 CBADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)CC[NH+](C)C ZINC001369485763 896292076 /nfs/dbraw/zinc/29/20/76/896292076.db2.gz PNTIZWMQQMQHDC-AWEZNQCLSA-N 1 3 294.399 -0.058 20 0 CBADHO CN(C(=O)CC[NH+](C)C)C1CC(NCc2cnnn2C)C1 ZINC001369574904 896321803 /nfs/dbraw/zinc/32/18/03/896321803.db2.gz SMKJUFDLVDHFPE-UHFFFAOYSA-N 1 3 294.403 -0.154 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001369624706 896325008 /nfs/dbraw/zinc/32/50/08/896325008.db2.gz UVOKUENSBAOECO-BPCQOVAHSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230156 896413344 /nfs/dbraw/zinc/41/33/44/896413344.db2.gz VBIZRZXYQYGGKK-PWSUYJOCSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)N(C)C ZINC001370264882 896413363 /nfs/dbraw/zinc/41/33/63/896413363.db2.gz LAJYCIWFHGCUPA-MNOVXSKESA-N 1 3 270.377 -0.704 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001370630807 896452057 /nfs/dbraw/zinc/45/20/57/896452057.db2.gz KWVTVKHSXNIGSM-AXFHLTTASA-N 1 3 288.367 -0.612 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001370633863 896454713 /nfs/dbraw/zinc/45/47/13/896454713.db2.gz FDIJKYWRHGXWED-XQQFMLRXSA-N 1 3 299.415 -0.285 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001370676727 896476157 /nfs/dbraw/zinc/47/61/57/896476157.db2.gz JQIFXXMFYXUROK-ZDEQEGDKSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661505 896646498 /nfs/dbraw/zinc/64/64/98/896646498.db2.gz WONUTKZRMHGEQF-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661509 896648156 /nfs/dbraw/zinc/64/81/56/896648156.db2.gz WONUTKZRMHGEQF-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001371765910 896659986 /nfs/dbraw/zinc/65/99/86/896659986.db2.gz AIXYMALRRQDARU-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001372945007 896907772 /nfs/dbraw/zinc/90/77/72/896907772.db2.gz JNRCJRRGRMREKP-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001372945007 896907789 /nfs/dbraw/zinc/90/77/89/896907789.db2.gz JNRCJRRGRMREKP-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372953833 896913105 /nfs/dbraw/zinc/91/31/05/896913105.db2.gz ZPMOVPBNQRPVLN-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372953833 896913118 /nfs/dbraw/zinc/91/31/18/896913118.db2.gz ZPMOVPBNQRPVLN-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994102 896919649 /nfs/dbraw/zinc/91/96/49/896919649.db2.gz TZIFJPQVVIJQKX-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994102 896919645 /nfs/dbraw/zinc/91/96/45/896919645.db2.gz TZIFJPQVVIJQKX-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373034137 896927907 /nfs/dbraw/zinc/92/79/07/896927907.db2.gz PMWSYBVYKMWGTO-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001373528934 897041253 /nfs/dbraw/zinc/04/12/53/897041253.db2.gz DHRRLIAMUDUXTE-AWEZNQCLSA-N 1 3 299.415 -0.617 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001374210056 897189506 /nfs/dbraw/zinc/18/95/06/897189506.db2.gz YPLTVHHVWCUKRA-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001374210052 897190651 /nfs/dbraw/zinc/19/06/51/897190651.db2.gz YPLTVHHVWCUKRA-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374271409 897202645 /nfs/dbraw/zinc/20/26/45/897202645.db2.gz NBWRIZAGAHNSJW-JHJVBQTASA-N 1 3 287.404 -0.476 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275822 897203236 /nfs/dbraw/zinc/20/32/36/897203236.db2.gz KHAREXJDXMAQGX-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279047 897203952 /nfs/dbraw/zinc/20/39/52/897203952.db2.gz WVYMVSZWBYIXMT-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374310941 897209092 /nfs/dbraw/zinc/20/90/92/897209092.db2.gz FRHJHJNUCNMNIJ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374310941 897209109 /nfs/dbraw/zinc/20/91/09/897209109.db2.gz FRHJHJNUCNMNIJ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312103 897209768 /nfs/dbraw/zinc/20/97/68/897209768.db2.gz KLNKRKVKEOWYBY-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001374326838 897210043 /nfs/dbraw/zinc/21/00/43/897210043.db2.gz OUYTUZHBDWEUHS-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374312903 897210309 /nfs/dbraw/zinc/21/03/09/897210309.db2.gz MTEXBRJSQIPIIK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374312903 897210321 /nfs/dbraw/zinc/21/03/21/897210321.db2.gz MTEXBRJSQIPIIK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001374326834 897210365 /nfs/dbraw/zinc/21/03/65/897210365.db2.gz OUYTUZHBDWEUHS-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374312900 897211985 /nfs/dbraw/zinc/21/19/85/897211985.db2.gz MTEXBRJSQIPIIK-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374312900 897211998 /nfs/dbraw/zinc/21/19/98/897211998.db2.gz MTEXBRJSQIPIIK-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374310949 897212049 /nfs/dbraw/zinc/21/20/49/897212049.db2.gz FRHJHJNUCNMNIJ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374310949 897212069 /nfs/dbraw/zinc/21/20/69/897212069.db2.gz FRHJHJNUCNMNIJ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001374326831 897212279 /nfs/dbraw/zinc/21/22/79/897212279.db2.gz OUYTUZHBDWEUHS-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001374323390 897212617 /nfs/dbraw/zinc/21/26/17/897212617.db2.gz BOSJHWCVBWLYCM-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001374319692 897213261 /nfs/dbraw/zinc/21/32/61/897213261.db2.gz IHEZNBWCSKQZEH-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C(C)C)N(C)C ZINC001374446218 897229766 /nfs/dbraw/zinc/22/97/66/897229766.db2.gz ZUFCDNLBXWUQAK-VXGBXAGGSA-N 1 3 286.420 -0.197 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001374811841 897400864 /nfs/dbraw/zinc/40/08/64/897400864.db2.gz YYUXKXNTISXRDE-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001374827458 897403702 /nfs/dbraw/zinc/40/37/02/897403702.db2.gz IROGMQUWZCHFGS-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001374827458 897403710 /nfs/dbraw/zinc/40/37/10/897403710.db2.gz IROGMQUWZCHFGS-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001374936486 897438188 /nfs/dbraw/zinc/43/81/88/897438188.db2.gz XOQPWLUPQLWNAM-TUAOUCFPSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001374940495 897440333 /nfs/dbraw/zinc/44/03/33/897440333.db2.gz PSAKELIGSRZWLP-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001374940495 897440346 /nfs/dbraw/zinc/44/03/46/897440346.db2.gz PSAKELIGSRZWLP-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001375275439 897506303 /nfs/dbraw/zinc/50/63/03/897506303.db2.gz YLDQEBBWRKFQQH-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001375500565 897556329 /nfs/dbraw/zinc/55/63/29/897556329.db2.gz PFWQGUXEDXUFRW-NDBYEHHHSA-N 1 3 298.431 -0.069 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524113 897559174 /nfs/dbraw/zinc/55/91/74/897559174.db2.gz ZVDYQDKZVXRGFZ-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524113 897559183 /nfs/dbraw/zinc/55/91/83/897559183.db2.gz ZVDYQDKZVXRGFZ-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524099 897559238 /nfs/dbraw/zinc/55/92/38/897559238.db2.gz ZVDYQDKZVXRGFZ-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524099 897559249 /nfs/dbraw/zinc/55/92/49/897559249.db2.gz ZVDYQDKZVXRGFZ-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)C1 ZINC001375546843 897562893 /nfs/dbraw/zinc/56/28/93/897562893.db2.gz ZLSWQZWHCPBKIV-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)C1 ZINC001375546843 897562902 /nfs/dbraw/zinc/56/29/02/897562902.db2.gz ZLSWQZWHCPBKIV-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001375552675 897567600 /nfs/dbraw/zinc/56/76/00/897567600.db2.gz ZIPXCGBXTMSNDK-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001375767725 897606121 /nfs/dbraw/zinc/60/61/21/897606121.db2.gz HVQXQXMRGDCNDO-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001375892102 897618797 /nfs/dbraw/zinc/61/87/97/897618797.db2.gz BJXIJLNUQPWFFB-HNNXBMFYSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001376315298 897709541 /nfs/dbraw/zinc/70/95/41/897709541.db2.gz RCONPDYZIAUKFI-WCFLWFBJSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC[N@H+]1C ZINC001376315298 897709554 /nfs/dbraw/zinc/70/95/54/897709554.db2.gz RCONPDYZIAUKFI-WCFLWFBJSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001376332395 897714430 /nfs/dbraw/zinc/71/44/30/897714430.db2.gz RQGIZGPYLNETLX-SDDRHHMPSA-N 1 3 284.404 -0.348 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001376340452 897714464 /nfs/dbraw/zinc/71/44/64/897714464.db2.gz KNNDLJKFUBMXCX-GXTWGEPZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1)N(C)C ZINC001376377951 897722267 /nfs/dbraw/zinc/72/22/67/897722267.db2.gz UCXUJWTZTUTZPV-FIQHERPVSA-N 1 3 284.404 -0.173 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001376495150 897759757 /nfs/dbraw/zinc/75/97/57/897759757.db2.gz RKFGEVLAOZVFJE-GRYCIOLGSA-N 1 3 282.388 -0.547 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001376748358 897831266 /nfs/dbraw/zinc/83/12/66/897831266.db2.gz WCMKMPXZQVQLOE-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001376748358 897831275 /nfs/dbraw/zinc/83/12/75/897831275.db2.gz WCMKMPXZQVQLOE-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001376743791 897831726 /nfs/dbraw/zinc/83/17/26/897831726.db2.gz VAMFYPUQXGGUAD-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCN(C)C1=O ZINC001376792825 897846223 /nfs/dbraw/zinc/84/62/23/897846223.db2.gz OITWWNDBFUDKRB-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803975 897852283 /nfs/dbraw/zinc/85/22/83/897852283.db2.gz SYJKVWLMCYTLTO-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC1CC1 ZINC001376804584 897852511 /nfs/dbraw/zinc/85/25/11/897852511.db2.gz CWJXQSLXQGNHMO-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805989 897854513 /nfs/dbraw/zinc/85/45/13/897854513.db2.gz FNKWYBXPTXJMMA-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853904 897872697 /nfs/dbraw/zinc/87/26/97/897872697.db2.gz JKVPNEMTRCBKRR-MNOVXSKESA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376871916 897876284 /nfs/dbraw/zinc/87/62/84/897876284.db2.gz ZSKCHWYSKRQDLN-OLZOCXBDSA-N 1 3 287.404 -0.476 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376882184 897879542 /nfs/dbraw/zinc/87/95/42/897879542.db2.gz NOCJYDKIOHDYDD-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376882184 897879554 /nfs/dbraw/zinc/87/95/54/897879554.db2.gz NOCJYDKIOHDYDD-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001377574569 898089123 /nfs/dbraw/zinc/08/91/23/898089123.db2.gz CKACOYLQLBDBDH-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001377574569 898089131 /nfs/dbraw/zinc/08/91/31/898089131.db2.gz CKACOYLQLBDBDH-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001377589101 898098773 /nfs/dbraw/zinc/09/87/73/898098773.db2.gz HOLKWQXSMCLVJQ-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001377589101 898098784 /nfs/dbraw/zinc/09/87/84/898098784.db2.gz HOLKWQXSMCLVJQ-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001377713429 898121468 /nfs/dbraw/zinc/12/14/68/898121468.db2.gz XTSYKAMZOMGCLL-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC(N)=O ZINC001377844113 898147017 /nfs/dbraw/zinc/14/70/17/898147017.db2.gz WEYDZVLBPKWWFM-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001377864727 898152225 /nfs/dbraw/zinc/15/22/25/898152225.db2.gz HMQWEUNNIMUUHP-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378382261 898324859 /nfs/dbraw/zinc/32/48/59/898324859.db2.gz JQXOMMINQDHRFB-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378382261 898324874 /nfs/dbraw/zinc/32/48/74/898324874.db2.gz JQXOMMINQDHRFB-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001378417403 898330515 /nfs/dbraw/zinc/33/05/15/898330515.db2.gz PKDKFUVGKGRYCL-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001378417403 898330529 /nfs/dbraw/zinc/33/05/29/898330529.db2.gz PKDKFUVGKGRYCL-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001378576700 898358318 /nfs/dbraw/zinc/35/83/18/898358318.db2.gz HAQDNGFHKOWWOK-WCQYABFASA-N 1 3 296.419 -0.003 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001378576693 898360619 /nfs/dbraw/zinc/36/06/19/898360619.db2.gz HAQDNGFHKOWWOK-DGCLKSJQSA-N 1 3 296.419 -0.003 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378765109 898406298 /nfs/dbraw/zinc/40/62/98/898406298.db2.gz QDMOXYKUKIOWQK-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001378821193 898417659 /nfs/dbraw/zinc/41/76/59/898417659.db2.gz ZPRWPAHDHMWPTG-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378844748 898422571 /nfs/dbraw/zinc/42/25/71/898422571.db2.gz QPCBJPUSBJVZGH-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001378838197 898422798 /nfs/dbraw/zinc/42/27/98/898422798.db2.gz QNMNZJCZUVHYTE-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378844746 898424148 /nfs/dbraw/zinc/42/41/48/898424148.db2.gz QPCBJPUSBJVZGH-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001378894733 898431242 /nfs/dbraw/zinc/43/12/42/898431242.db2.gz GMKUHCBQDMJMPB-PWSUYJOCSA-N 1 3 293.371 -0.475 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001378935911 898434001 /nfs/dbraw/zinc/43/40/01/898434001.db2.gz XFELTHGCGZQJIP-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001378935911 898434005 /nfs/dbraw/zinc/43/40/05/898434005.db2.gz XFELTHGCGZQJIP-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001379285931 898536773 /nfs/dbraw/zinc/53/67/73/898536773.db2.gz NSXOHESBRNSZGP-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001379291587 898538611 /nfs/dbraw/zinc/53/86/11/898538611.db2.gz XVHQJYYZAYKDOM-YPMHNXCESA-N 1 3 286.420 -0.245 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001379371993 898588435 /nfs/dbraw/zinc/58/84/35/898588435.db2.gz MIRJODGGMWBGGT-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001379371993 898588448 /nfs/dbraw/zinc/58/84/48/898588448.db2.gz MIRJODGGMWBGGT-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001379384921 898593730 /nfs/dbraw/zinc/59/37/30/898593730.db2.gz YJRBRXCLGAINLB-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379454420 898620334 /nfs/dbraw/zinc/62/03/34/898620334.db2.gz XUEXBLWQYSTPLZ-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379462314 898621964 /nfs/dbraw/zinc/62/19/64/898621964.db2.gz VWCXAJFXCOKBEW-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379462314 898621974 /nfs/dbraw/zinc/62/19/74/898621974.db2.gz VWCXAJFXCOKBEW-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379454421 898622644 /nfs/dbraw/zinc/62/26/44/898622644.db2.gz XUEXBLWQYSTPLZ-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379583981 898673939 /nfs/dbraw/zinc/67/39/39/898673939.db2.gz ZZYBDNNGFBNFHK-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379583981 898673953 /nfs/dbraw/zinc/67/39/53/898673953.db2.gz ZZYBDNNGFBNFHK-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379599319 898677298 /nfs/dbraw/zinc/67/72/98/898677298.db2.gz MOYJJWPABNBAQF-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379596361 898677974 /nfs/dbraw/zinc/67/79/74/898677974.db2.gz FEGBLWMVEAGONM-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379596361 898677967 /nfs/dbraw/zinc/67/79/67/898677967.db2.gz FEGBLWMVEAGONM-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001379598227 898678144 /nfs/dbraw/zinc/67/81/44/898678144.db2.gz KGLOADPUEBIBEC-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001379602276 898682755 /nfs/dbraw/zinc/68/27/55/898682755.db2.gz YGVGQSVSTRLCNZ-GXSJLCMTSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001379602276 898682764 /nfs/dbraw/zinc/68/27/64/898682764.db2.gz YGVGQSVSTRLCNZ-GXSJLCMTSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001379602280 898682905 /nfs/dbraw/zinc/68/29/05/898682905.db2.gz YGVGQSVSTRLCNZ-ONGXEEELSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001379602280 898682918 /nfs/dbraw/zinc/68/29/18/898682918.db2.gz YGVGQSVSTRLCNZ-ONGXEEELSA-N 1 3 280.376 -0.341 20 0 CBADHO CN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283123 898852216 /nfs/dbraw/zinc/85/22/16/898852216.db2.gz GDEXBEUTNYMQFP-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](C(=O)NCC1([NH2+]CCO)CCOCC1)N(C)C ZINC001380504520 898879154 /nfs/dbraw/zinc/87/91/54/898879154.db2.gz JKGYBQCXFNMZAZ-GFCCVEGCSA-N 1 3 287.404 -0.426 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380539432 898895413 /nfs/dbraw/zinc/89/54/13/898895413.db2.gz UMRLWPKGGPRNGG-UKRRQHHQSA-N 1 3 299.415 -0.594 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380539432 898895422 /nfs/dbraw/zinc/89/54/22/898895422.db2.gz UMRLWPKGGPRNGG-UKRRQHHQSA-N 1 3 299.415 -0.594 20 0 CBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC)CCC1)N(C)C ZINC001380879553 898964503 /nfs/dbraw/zinc/96/45/03/898964503.db2.gz LXFIWAABVOBGIW-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001380897392 898967185 /nfs/dbraw/zinc/96/71/85/898967185.db2.gz NXPFNCGDLLYLNH-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897392 898967197 /nfs/dbraw/zinc/96/71/97/898967197.db2.gz NXPFNCGDLLYLNH-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(=O)NC)CCC1 ZINC001380892063 898967448 /nfs/dbraw/zinc/96/74/48/898967448.db2.gz FHLRMBZKQZHGPN-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(=O)NC)CCC1 ZINC001380892063 898967454 /nfs/dbraw/zinc/96/74/54/898967454.db2.gz FHLRMBZKQZHGPN-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)CN2CCCC2)CC1 ZINC001381020891 898986039 /nfs/dbraw/zinc/98/60/39/898986039.db2.gz GVRXREHAKGLBNX-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001381916359 899131447 /nfs/dbraw/zinc/13/14/47/899131447.db2.gz GNJUSAMBMHWRBA-GXTWGEPZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001381975895 899140046 /nfs/dbraw/zinc/14/00/46/899140046.db2.gz ZYQMWZFISGIXBA-ZDEQEGDKSA-N 1 3 298.431 -0.069 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028302 899142515 /nfs/dbraw/zinc/14/25/15/899142515.db2.gz CEAREZGIBLXCDA-WCQYABFASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCC1 ZINC001382051028 899146443 /nfs/dbraw/zinc/14/64/43/899146443.db2.gz NQYXRBULVJWLNF-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC)CC[N@@H+]1C ZINC001382063975 899148812 /nfs/dbraw/zinc/14/88/12/899148812.db2.gz CRZSPZAAAOXOFJ-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC)CC[N@H+]1C ZINC001382063975 899148818 /nfs/dbraw/zinc/14/88/18/899148818.db2.gz CRZSPZAAAOXOFJ-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001382112390 899159268 /nfs/dbraw/zinc/15/92/68/899159268.db2.gz LRPBYNSHRJGQSC-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC ZINC001382142582 899164646 /nfs/dbraw/zinc/16/46/46/899164646.db2.gz OQEQIHUNAYUXOD-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC ZINC001382142582 899164639 /nfs/dbraw/zinc/16/46/39/899164639.db2.gz OQEQIHUNAYUXOD-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001382302412 899239927 /nfs/dbraw/zinc/23/99/27/899239927.db2.gz JGGQTCUPHRLBTF-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315093 899246310 /nfs/dbraw/zinc/24/63/10/899246310.db2.gz LOOGPWGZBDVPLK-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385654847 899586502 /nfs/dbraw/zinc/58/65/02/899586502.db2.gz IXYRXWMZVPKLPM-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001455457981 914365526 /nfs/dbraw/zinc/36/55/26/914365526.db2.gz AINIWCYZIRFDGL-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001455457981 914365546 /nfs/dbraw/zinc/36/55/46/914365546.db2.gz AINIWCYZIRFDGL-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001386888254 899725480 /nfs/dbraw/zinc/72/54/80/899725480.db2.gz HLTGMEWYCRZTPO-CYBMUJFWSA-N 1 3 296.415 -0.392 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001386888254 899725492 /nfs/dbraw/zinc/72/54/92/899725492.db2.gz HLTGMEWYCRZTPO-CYBMUJFWSA-N 1 3 296.415 -0.392 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001388727273 899904699 /nfs/dbraw/zinc/90/46/99/899904699.db2.gz VEISWJQXXIEXOE-YRGRVCCFSA-N 1 3 298.431 -0.197 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001388756356 899907719 /nfs/dbraw/zinc/90/77/19/899907719.db2.gz CAZAIXBXOMMXOX-OUCADQQQSA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001389719343 900062306 /nfs/dbraw/zinc/06/23/06/900062306.db2.gz OPDIIWNGNGPHHT-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001389816952 900076721 /nfs/dbraw/zinc/07/67/21/900076721.db2.gz BYZJHJKBVHIKSA-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001389823864 900077096 /nfs/dbraw/zinc/07/70/96/900077096.db2.gz DSOWHEFEOQSWSC-LBPRGKRZSA-N 1 3 282.388 -0.462 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001389991137 900101161 /nfs/dbraw/zinc/10/11/61/900101161.db2.gz OPZFKWVGQCEJNM-PHIMTYICSA-N 1 3 291.417 -0.781 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001390008166 900103459 /nfs/dbraw/zinc/10/34/59/900103459.db2.gz TZFPZXHDVIMSMR-BETUJISGSA-N 1 3 294.403 -0.143 20 0 CBADHO CC[C@@H](C(=O)NC1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC001390266520 900125711 /nfs/dbraw/zinc/12/57/11/900125711.db2.gz QAPJXYQDFPFROE-MCIGGMRASA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390421399 900156935 /nfs/dbraw/zinc/15/69/35/900156935.db2.gz XNTYITACLVMPFB-VXGBXAGGSA-N 1 3 299.419 -0.554 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001390464488 900166562 /nfs/dbraw/zinc/16/65/62/900166562.db2.gz FBGRCHDNNNARBX-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCNC1=O ZINC001390466099 900170272 /nfs/dbraw/zinc/17/02/72/900170272.db2.gz SSZCSNOWWKWYNF-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCNC1=O ZINC001390466101 900170300 /nfs/dbraw/zinc/17/03/00/900170300.db2.gz SSZCSNOWWKWYNF-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCNC1=O ZINC001390466100 900170730 /nfs/dbraw/zinc/17/07/30/900170730.db2.gz SSZCSNOWWKWYNF-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001390537963 900182980 /nfs/dbraw/zinc/18/29/80/900182980.db2.gz YVAVSPBGRSJKFO-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390548856 900187376 /nfs/dbraw/zinc/18/73/76/900187376.db2.gz FXQJTZSTQLKTCT-STQMWFEESA-N 1 3 294.399 -0.450 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001390564383 900190075 /nfs/dbraw/zinc/19/00/75/900190075.db2.gz AIIARFTXFLBMNJ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001390564383 900190078 /nfs/dbraw/zinc/19/00/78/900190078.db2.gz AIIARFTXFLBMNJ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001390601810 900195686 /nfs/dbraw/zinc/19/56/86/900195686.db2.gz CVHMLMKMROBFCJ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001390607908 900195988 /nfs/dbraw/zinc/19/59/88/900195988.db2.gz VGFLAOATQQXYPK-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001391220297 900342745 /nfs/dbraw/zinc/34/27/45/900342745.db2.gz MOAYVXIMMNFJKP-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001391354406 900363596 /nfs/dbraw/zinc/36/35/96/900363596.db2.gz PEKMYLRYMINEDR-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001391354406 900363602 /nfs/dbraw/zinc/36/36/02/900363602.db2.gz PEKMYLRYMINEDR-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC(N)=O ZINC001391695584 900436266 /nfs/dbraw/zinc/43/62/66/900436266.db2.gz RFYNQBOQNQLOLE-JQWIXIFHSA-N 1 3 272.393 -0.458 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001392047011 900499787 /nfs/dbraw/zinc/49/97/87/900499787.db2.gz CQGLFAQZJJMYEU-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001392125067 900519483 /nfs/dbraw/zinc/51/94/83/900519483.db2.gz VUGBHLGYUOPSIC-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001392125067 900519490 /nfs/dbraw/zinc/51/94/90/900519490.db2.gz VUGBHLGYUOPSIC-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001392357292 900580817 /nfs/dbraw/zinc/58/08/17/900580817.db2.gz UNWTYFHRQNYWPA-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001392357293 900581740 /nfs/dbraw/zinc/58/17/40/900581740.db2.gz UNWTYFHRQNYWPA-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cccnc2)C1 ZINC001392424847 900614915 /nfs/dbraw/zinc/61/49/15/900614915.db2.gz KLQGLZOTAPBVMH-KGLIPLIRSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cccnc2)C1 ZINC001392424847 900614918 /nfs/dbraw/zinc/61/49/18/900614918.db2.gz KLQGLZOTAPBVMH-KGLIPLIRSA-N 1 3 292.383 -0.400 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392502643 900638618 /nfs/dbraw/zinc/63/86/18/900638618.db2.gz IMZRXLWEFGSBRG-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001392507081 900639992 /nfs/dbraw/zinc/63/99/92/900639992.db2.gz PODCIIQNNUILJP-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510114 900641535 /nfs/dbraw/zinc/64/15/35/900641535.db2.gz CYEVBAZSQCCGQQ-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001392536221 900652744 /nfs/dbraw/zinc/65/27/44/900652744.db2.gz HCCMPPGTIFJFGT-OCCSQVGLSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)CC[N@@H+]1C ZINC001392564389 900661630 /nfs/dbraw/zinc/66/16/30/900661630.db2.gz VREDCRNWFNNVAC-GARJFASQSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)CC[N@H+]1C ZINC001392564389 900661635 /nfs/dbraw/zinc/66/16/35/900661635.db2.gz VREDCRNWFNNVAC-GARJFASQSA-N 1 3 270.377 -0.704 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1 ZINC001392789704 900723829 /nfs/dbraw/zinc/72/38/29/900723829.db2.gz UFNZSNIOECEQAS-GFCCVEGCSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392797612 900726528 /nfs/dbraw/zinc/72/65/28/900726528.db2.gz FTOTZYNNJCTEKN-QWHCGFSZSA-N 1 3 296.415 -0.301 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(N)=O)CC1 ZINC001392905938 900757840 /nfs/dbraw/zinc/75/78/40/900757840.db2.gz GQYDVERDGZXQGW-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(N)=O)CC1 ZINC001392905938 900757849 /nfs/dbraw/zinc/75/78/49/900757849.db2.gz GQYDVERDGZXQGW-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393039518 900784210 /nfs/dbraw/zinc/78/42/10/900784210.db2.gz CJSFAIOMULZXFC-OLZOCXBDSA-N 1 3 294.399 -0.606 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+](C)C ZINC001393058886 900785726 /nfs/dbraw/zinc/78/57/26/900785726.db2.gz QWTGGSWWSYCLSG-AAEUAGOBSA-N 1 3 284.404 -0.362 20 0 CBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001393050959 900787201 /nfs/dbraw/zinc/78/72/01/900787201.db2.gz FONIUEQCWSNBEG-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083296 900790765 /nfs/dbraw/zinc/79/07/65/900790765.db2.gz JGQNUIVOUUPVCD-OLZOCXBDSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083296 900790773 /nfs/dbraw/zinc/79/07/73/900790773.db2.gz JGQNUIVOUUPVCD-OLZOCXBDSA-N 1 3 296.415 -0.312 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001393270407 900822306 /nfs/dbraw/zinc/82/23/06/900822306.db2.gz FAXJEKARCCSFMO-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393380969 900848895 /nfs/dbraw/zinc/84/88/95/900848895.db2.gz BNKOHHGHRWXDFY-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393380977 900848932 /nfs/dbraw/zinc/84/89/32/900848932.db2.gz BNKOHHGHRWXDFY-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH+](C)CCCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001393559664 900874062 /nfs/dbraw/zinc/87/40/62/900874062.db2.gz LOCPKCPPAMBJNB-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001393740724 900900222 /nfs/dbraw/zinc/90/02/22/900900222.db2.gz JACDGAHYYFMBRH-WDEREUQCSA-N 1 3 270.377 -0.752 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001393804307 900909349 /nfs/dbraw/zinc/90/93/49/900909349.db2.gz LBVLPITXUCUYBZ-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CC(=O)NC[C@H](CO)[NH2+]CCO)CC(C)(C)C ZINC001394638309 901100446 /nfs/dbraw/zinc/10/04/46/901100446.db2.gz SOBPDTLNRZMQGG-LLVKDONJSA-N 1 3 275.393 -0.977 20 0 CBADHO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001394622937 901097596 /nfs/dbraw/zinc/09/75/96/901097596.db2.gz YXDPJSMCCSXBFR-NWDGAFQWSA-N 1 3 287.404 -0.692 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394761267 901143497 /nfs/dbraw/zinc/14/34/97/901143497.db2.gz ZFXFSSUJVHXXQE-ZYHUDNBSSA-N 1 3 284.360 -0.604 20 0 CBADHO C[C@@H](N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436112 901537153 /nfs/dbraw/zinc/53/71/53/901537153.db2.gz MBUXLAODFCXDQX-ZYHUDNBSSA-N 1 3 296.415 -0.314 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001398432105 901538876 /nfs/dbraw/zinc/53/88/76/901538876.db2.gz FJQBTOKTWRCMOM-RYUDHWBXSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001398443695 901541245 /nfs/dbraw/zinc/54/12/45/901541245.db2.gz GDLVGOINBHUERR-TZMCWYRMSA-N 1 3 298.431 -0.197 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398534768 901551027 /nfs/dbraw/zinc/55/10/27/901551027.db2.gz TXZVFMBLBBCWRW-RYUDHWBXSA-N 1 3 282.388 -0.594 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001398536537 901551990 /nfs/dbraw/zinc/55/19/90/901551990.db2.gz KWVTVKHSXNIGSM-DCAQKATOSA-N 1 3 288.367 -0.612 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001398551540 901557687 /nfs/dbraw/zinc/55/76/87/901557687.db2.gz DQTXIFMSVUHXCP-AAVRWANBSA-N 1 3 299.415 -0.428 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001398734815 901597605 /nfs/dbraw/zinc/59/76/05/901597605.db2.gz XWAZBLCBUHCKPI-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001398817961 901605685 /nfs/dbraw/zinc/60/56/85/901605685.db2.gz WWGFZAXKPAVQBC-UHFFFAOYSA-N 1 3 293.371 -0.522 20 0 CBADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(N)=O ZINC001398961989 901640938 /nfs/dbraw/zinc/64/09/38/901640938.db2.gz BQGOIWYQEGXXDQ-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001398961965 901642407 /nfs/dbraw/zinc/64/24/07/901642407.db2.gz BKSWAEXTJVIWPC-VXGBXAGGSA-N 1 3 282.392 -0.287 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCNC1=O ZINC001399022572 901651251 /nfs/dbraw/zinc/65/12/51/901651251.db2.gz FRJBCWDRJMXPBW-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001399035958 901655335 /nfs/dbraw/zinc/65/53/35/901655335.db2.gz OOQUYBFSSDGLDI-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001399047753 901655862 /nfs/dbraw/zinc/65/58/62/901655862.db2.gz WKAYZASSJURIKF-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399122282 901670901 /nfs/dbraw/zinc/67/09/01/901670901.db2.gz QXDWMCZAIOFNEP-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399122282 901670906 /nfs/dbraw/zinc/67/09/06/901670906.db2.gz QXDWMCZAIOFNEP-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399489782 901735568 /nfs/dbraw/zinc/73/55/68/901735568.db2.gz VSBOLCNBCVUYGV-KBPBESRZSA-N 1 3 299.415 -0.617 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001400040233 901860458 /nfs/dbraw/zinc/86/04/58/901860458.db2.gz MOJINOFWSNYIBP-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001400053505 901866674 /nfs/dbraw/zinc/86/66/74/901866674.db2.gz NUHYYAPYPGCWPA-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001400053505 901866682 /nfs/dbraw/zinc/86/66/82/901866682.db2.gz NUHYYAPYPGCWPA-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001400286471 901907469 /nfs/dbraw/zinc/90/74/69/901907469.db2.gz GEJKIWLFCAFERZ-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400286471 901907479 /nfs/dbraw/zinc/90/74/79/901907479.db2.gz GEJKIWLFCAFERZ-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001400286474 901908775 /nfs/dbraw/zinc/90/87/75/901908775.db2.gz GEJKIWLFCAFERZ-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400286474 901908785 /nfs/dbraw/zinc/90/87/85/901908785.db2.gz GEJKIWLFCAFERZ-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001400631810 901985209 /nfs/dbraw/zinc/98/52/09/901985209.db2.gz YNECIKNISBMMCX-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001400631810 901985215 /nfs/dbraw/zinc/98/52/15/901985215.db2.gz YNECIKNISBMMCX-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001400797828 902017023 /nfs/dbraw/zinc/01/70/23/902017023.db2.gz ROZBDUDMUZGIAX-CYBMUJFWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC ZINC001400805441 902022444 /nfs/dbraw/zinc/02/24/44/902022444.db2.gz UWXXGUOPMWPTEH-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC ZINC001400805441 902022460 /nfs/dbraw/zinc/02/24/60/902022460.db2.gz UWXXGUOPMWPTEH-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC ZINC001400873376 902033325 /nfs/dbraw/zinc/03/33/25/902033325.db2.gz ZRXHHPCGBJMFIY-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001401117832 902057637 /nfs/dbraw/zinc/05/76/37/902057637.db2.gz WZTWQVLBPFSMLN-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401117686 902057884 /nfs/dbraw/zinc/05/78/84/902057884.db2.gz WRLRDSJEIYQKCI-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001401190859 902076742 /nfs/dbraw/zinc/07/67/42/902076742.db2.gz ZKSHUJKNLILQEY-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001401190859 902076753 /nfs/dbraw/zinc/07/67/53/902076753.db2.gz ZKSHUJKNLILQEY-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001401236093 902087242 /nfs/dbraw/zinc/08/72/42/902087242.db2.gz GXBVYZVTOLYLBQ-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401598922 902181562 /nfs/dbraw/zinc/18/15/62/902181562.db2.gz CNBZRMUBMQOHKS-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401598922 902181568 /nfs/dbraw/zinc/18/15/68/902181568.db2.gz CNBZRMUBMQOHKS-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001401605494 902184124 /nfs/dbraw/zinc/18/41/24/902184124.db2.gz PSVNRCMXERXYHR-QWRGUYRKSA-N 1 3 272.393 -0.315 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001401604497 902184448 /nfs/dbraw/zinc/18/44/48/902184448.db2.gz VLSKNUFIZSQNDT-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CN1CCCC1 ZINC001401609025 902188132 /nfs/dbraw/zinc/18/81/32/902188132.db2.gz KWZBGYXFUGEZCI-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401610067 902190114 /nfs/dbraw/zinc/19/01/14/902190114.db2.gz MNEFEAQBKRWARV-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401610067 902190123 /nfs/dbraw/zinc/19/01/23/902190123.db2.gz MNEFEAQBKRWARV-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401640572 902205669 /nfs/dbraw/zinc/20/56/69/902205669.db2.gz QZTMASQDSUNPPA-WOPDTQHZSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401640572 902205689 /nfs/dbraw/zinc/20/56/89/902205689.db2.gz QZTMASQDSUNPPA-WOPDTQHZSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401686143 902230676 /nfs/dbraw/zinc/23/06/76/902230676.db2.gz NQLRQBZYCHPIPV-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401724209 902244807 /nfs/dbraw/zinc/24/48/07/902244807.db2.gz XPHCVWHTNALKHH-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401724209 902244822 /nfs/dbraw/zinc/24/48/22/902244822.db2.gz XPHCVWHTNALKHH-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001401847162 902287685 /nfs/dbraw/zinc/28/76/85/902287685.db2.gz VPEPHDFKTMPEQW-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001401847162 902287695 /nfs/dbraw/zinc/28/76/95/902287695.db2.gz VPEPHDFKTMPEQW-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO NC(=O)CN[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001402384631 902440035 /nfs/dbraw/zinc/44/00/35/902440035.db2.gz UPIUHGKAACDYOI-CYBMUJFWSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001402441009 902451639 /nfs/dbraw/zinc/45/16/39/902451639.db2.gz WEUNTTRXXPTCKR-XQQFMLRXSA-N 1 3 296.415 -0.408 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001402462032 902455458 /nfs/dbraw/zinc/45/54/58/902455458.db2.gz LGZRZPQSMNEQMK-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001402462032 902455467 /nfs/dbraw/zinc/45/54/67/902455467.db2.gz LGZRZPQSMNEQMK-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001402509898 902468209 /nfs/dbraw/zinc/46/82/09/902468209.db2.gz DCBWPXMKEDKTAZ-SRVKXCTJSA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001402514977 902469753 /nfs/dbraw/zinc/46/97/53/902469753.db2.gz JJROFXPLUNOACY-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402528181 902471954 /nfs/dbraw/zinc/47/19/54/902471954.db2.gz HZSQQSCZHGAWOA-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402528181 902471960 /nfs/dbraw/zinc/47/19/60/902471960.db2.gz HZSQQSCZHGAWOA-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402528181 902471969 /nfs/dbraw/zinc/47/19/69/902471969.db2.gz HZSQQSCZHGAWOA-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001402549665 902474983 /nfs/dbraw/zinc/47/49/83/902474983.db2.gz KBIFQOFHJUZOAA-HAQNSBGRSA-N 1 3 284.404 -0.301 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001402539513 902476450 /nfs/dbraw/zinc/47/64/50/902476450.db2.gz TZFPZXHDVIMSMR-JOCQHMNTSA-N 1 3 294.403 -0.143 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001402635157 902494444 /nfs/dbraw/zinc/49/44/44/902494444.db2.gz UCXUJWTZTUTZPV-WRWGMCAJSA-N 1 3 284.404 -0.173 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N1CCC1 ZINC001402801705 902522851 /nfs/dbraw/zinc/52/28/51/902522851.db2.gz ZQDYHZJDESTXCC-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402888789 902551808 /nfs/dbraw/zinc/55/18/08/902551808.db2.gz OUQPJZISVWWMGK-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402888789 902551817 /nfs/dbraw/zinc/55/18/17/902551817.db2.gz OUQPJZISVWWMGK-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001403032733 902598286 /nfs/dbraw/zinc/59/82/86/902598286.db2.gz JHGRJCFVOFIEMD-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001403040619 902598667 /nfs/dbraw/zinc/59/86/67/902598667.db2.gz JOGSIKYMYOJVTJ-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001403168063 902634278 /nfs/dbraw/zinc/63/42/78/902634278.db2.gz OYMKHXRZFGZKDF-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001403270996 902663089 /nfs/dbraw/zinc/66/30/89/902663089.db2.gz FKIKNZWWYJVFSI-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001403413765 902683432 /nfs/dbraw/zinc/68/34/32/902683432.db2.gz JHAQDBNXJHWMTD-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001403475763 902696639 /nfs/dbraw/zinc/69/66/39/902696639.db2.gz CJQRZLFMSGQUIE-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001403486967 902699397 /nfs/dbraw/zinc/69/93/97/902699397.db2.gz LXXUVKMSIODBSG-MNOVXSKESA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001458410843 914649228 /nfs/dbraw/zinc/64/92/28/914649228.db2.gz GZELUMCKVNDZHJ-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001458410843 914649235 /nfs/dbraw/zinc/64/92/35/914649235.db2.gz GZELUMCKVNDZHJ-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@@H](O)C[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001403573471 902738695 /nfs/dbraw/zinc/73/86/95/902738695.db2.gz DMSBPYGVRIWRMZ-LBPRGKRZSA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001403573471 902738708 /nfs/dbraw/zinc/73/87/08/902738708.db2.gz DMSBPYGVRIWRMZ-LBPRGKRZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001403751948 902836185 /nfs/dbraw/zinc/83/61/85/902836185.db2.gz NNBQQKMOHHFAIR-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001403766827 902843884 /nfs/dbraw/zinc/84/38/84/902843884.db2.gz KEWWCQKMKPQFSI-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1)N(C)C ZINC001403830735 902867115 /nfs/dbraw/zinc/86/71/15/902867115.db2.gz SPGQOGQEJRHZPU-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001404479139 902990876 /nfs/dbraw/zinc/99/08/76/902990876.db2.gz VKNQHNFWTJFWJV-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001405069420 903079467 /nfs/dbraw/zinc/07/94/67/903079467.db2.gz RNKYWSPMZMLAPU-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405069420 903079483 /nfs/dbraw/zinc/07/94/83/903079483.db2.gz RNKYWSPMZMLAPU-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405580148 903180941 /nfs/dbraw/zinc/18/09/41/903180941.db2.gz KWVNEAKRPRYZGF-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405580148 903180944 /nfs/dbraw/zinc/18/09/44/903180944.db2.gz KWVNEAKRPRYZGF-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001405598328 903186010 /nfs/dbraw/zinc/18/60/10/903186010.db2.gz SNJJKGVJNIKQDN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001405598328 903186020 /nfs/dbraw/zinc/18/60/20/903186020.db2.gz SNJJKGVJNIKQDN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405711158 903209363 /nfs/dbraw/zinc/20/93/63/903209363.db2.gz AFKAQXCEGZLVPZ-WDEREUQCSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001405798050 903221766 /nfs/dbraw/zinc/22/17/66/903221766.db2.gz RTJFJUCQAYYUDH-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405846634 903232208 /nfs/dbraw/zinc/23/22/08/903232208.db2.gz CSIHDHLCSDEJRO-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405845207 903232734 /nfs/dbraw/zinc/23/27/34/903232734.db2.gz ARQOFUSGGRLINY-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875511 903240038 /nfs/dbraw/zinc/24/00/38/903240038.db2.gz VALHBUKWMGRHKM-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C(N)=O ZINC001405884812 903244947 /nfs/dbraw/zinc/24/49/47/903244947.db2.gz HAJIAACVRHWYOL-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1)C(N)=O ZINC001405884804 903246837 /nfs/dbraw/zinc/24/68/37/903246837.db2.gz HAJIAACVRHWYOL-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001405956472 903248074 /nfs/dbraw/zinc/24/80/74/903248074.db2.gz BFWFMYBTXPMBMV-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001405971256 903249850 /nfs/dbraw/zinc/24/98/50/903249850.db2.gz MVBOEDFNXWCECH-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406301038 903345583 /nfs/dbraw/zinc/34/55/83/903345583.db2.gz ADCSSRBBMGSKOR-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406301038 903345593 /nfs/dbraw/zinc/34/55/93/903345593.db2.gz ADCSSRBBMGSKOR-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001406364318 903376759 /nfs/dbraw/zinc/37/67/59/903376759.db2.gz GIAQWBUDVFQKPF-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001406400773 903391797 /nfs/dbraw/zinc/39/17/97/903391797.db2.gz DPQKWTTWYDBUSY-VWYCJHECSA-N 1 3 270.377 -0.691 20 0 CBADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001406408011 903396362 /nfs/dbraw/zinc/39/63/62/903396362.db2.gz QOONQQCQGICDLF-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406433530 903400811 /nfs/dbraw/zinc/40/08/11/903400811.db2.gz SGDSNKHDACQEEK-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406796001 903477921 /nfs/dbraw/zinc/47/79/21/903477921.db2.gz WKKQKKYOLDFTHG-OLZOCXBDSA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406796001 903477930 /nfs/dbraw/zinc/47/79/30/903477930.db2.gz WKKQKKYOLDFTHG-OLZOCXBDSA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406796005 903480240 /nfs/dbraw/zinc/48/02/40/903480240.db2.gz WKKQKKYOLDFTHG-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406796005 903480247 /nfs/dbraw/zinc/48/02/47/903480247.db2.gz WKKQKKYOLDFTHG-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001406812736 903482430 /nfs/dbraw/zinc/48/24/30/903482430.db2.gz DAAAXWPPLKSEHB-DGCLKSJQSA-N 1 3 298.431 -0.055 20 0 CBADHO C[NH+](C)CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001407065761 903535060 /nfs/dbraw/zinc/53/50/60/903535060.db2.gz KIUAGJMMEPMTRJ-UHFFFAOYSA-N 1 3 296.415 -0.295 20 0 CBADHO CN(C)C1(C(=O)NCC2([NH2+]CCO)CCOCC2)CCC1 ZINC001407323456 903566702 /nfs/dbraw/zinc/56/67/02/903566702.db2.gz PSDQMFHGSMZPQM-UHFFFAOYSA-N 1 3 299.415 -0.282 20 0 CBADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)C1CCC1 ZINC001407343279 903574540 /nfs/dbraw/zinc/57/45/40/903574540.db2.gz GXZLCJNRRYWAHX-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)C1CCC1 ZINC001407343279 903574549 /nfs/dbraw/zinc/57/45/49/903574549.db2.gz GXZLCJNRRYWAHX-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001407537648 903625394 /nfs/dbraw/zinc/62/53/94/903625394.db2.gz HLXGWOSFHYKTNG-VXGBXAGGSA-N 1 3 284.404 -0.362 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001408097488 903709873 /nfs/dbraw/zinc/70/98/73/903709873.db2.gz JDOYHPPWKSWNOC-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001408097488 903709881 /nfs/dbraw/zinc/70/98/81/903709881.db2.gz JDOYHPPWKSWNOC-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409099919 903849831 /nfs/dbraw/zinc/84/98/31/903849831.db2.gz VRBAYCFHCJAFOP-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C ZINC001409425838 903903451 /nfs/dbraw/zinc/90/34/51/903903451.db2.gz LDASQBUQFKGEOC-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C ZINC001409425838 903903466 /nfs/dbraw/zinc/90/34/66/903903466.db2.gz LDASQBUQFKGEOC-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409844567 903974874 /nfs/dbraw/zinc/97/48/74/903974874.db2.gz OWSMBIUTWHLWSA-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409844567 903974881 /nfs/dbraw/zinc/97/48/81/903974881.db2.gz OWSMBIUTWHLWSA-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410227980 904048272 /nfs/dbraw/zinc/04/82/72/904048272.db2.gz GRJFANAGNATLDK-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001410329251 904066653 /nfs/dbraw/zinc/06/66/53/904066653.db2.gz WKLPWEOWFYSWFR-DGCLKSJQSA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001410329251 904066668 /nfs/dbraw/zinc/06/66/68/904066668.db2.gz WKLPWEOWFYSWFR-DGCLKSJQSA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410336833 904070450 /nfs/dbraw/zinc/07/04/50/904070450.db2.gz WGGGLHCKHOEXRM-CHWSQXEVSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410336833 904070460 /nfs/dbraw/zinc/07/04/60/904070460.db2.gz WGGGLHCKHOEXRM-CHWSQXEVSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001410392372 904084836 /nfs/dbraw/zinc/08/48/36/904084836.db2.gz TYKJNZSAZQXHRD-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410478866 904106258 /nfs/dbraw/zinc/10/62/58/904106258.db2.gz ATONQEJTTINSPH-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410478866 904106267 /nfs/dbraw/zinc/10/62/67/904106267.db2.gz ATONQEJTTINSPH-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001410652302 904150352 /nfs/dbraw/zinc/15/03/52/904150352.db2.gz JDLVKZHITVPNQZ-STQMWFEESA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410853727 904196019 /nfs/dbraw/zinc/19/60/19/904196019.db2.gz MPEHURQYCXEQON-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410853721 904196124 /nfs/dbraw/zinc/19/61/24/904196124.db2.gz MPEHURQYCXEQON-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865884 904199728 /nfs/dbraw/zinc/19/97/28/904199728.db2.gz OYTDSUFYBPJTOU-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO COCC[N@H+](CCNC(=O)[C@@H]1CCCN1C)C[C@H](C)O ZINC001411213309 904264199 /nfs/dbraw/zinc/26/41/99/904264199.db2.gz FOUNOMRFKVDCTH-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO COCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C[C@H](C)O ZINC001411213309 904264214 /nfs/dbraw/zinc/26/42/14/904264214.db2.gz FOUNOMRFKVDCTH-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001411251624 904273577 /nfs/dbraw/zinc/27/35/77/904273577.db2.gz CTBFXBLSMIKXCP-UHFFFAOYSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[N@@H+]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)[C@H](C)C1 ZINC001414557362 905450742 /nfs/dbraw/zinc/45/07/42/905450742.db2.gz NXGJJLJMYLAQMQ-KGLIPLIRSA-N 1 3 297.447 -0.032 20 0 CBADHO CC[N@H+]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)[C@H](C)C1 ZINC001414557362 905450752 /nfs/dbraw/zinc/45/07/52/905450752.db2.gz NXGJJLJMYLAQMQ-KGLIPLIRSA-N 1 3 297.447 -0.032 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001414933879 905527217 /nfs/dbraw/zinc/52/72/17/905527217.db2.gz IQCGVYSTOBUFAM-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001415259757 905592950 /nfs/dbraw/zinc/59/29/50/905592950.db2.gz YEQANDFQQICCMX-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001415616601 905648608 /nfs/dbraw/zinc/64/86/08/905648608.db2.gz YJSYWLJATLFIRV-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001416821856 905810612 /nfs/dbraw/zinc/81/06/12/905810612.db2.gz PPGFRXMVTQUECU-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416821856 905810622 /nfs/dbraw/zinc/81/06/22/905810622.db2.gz PPGFRXMVTQUECU-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418043139 906145678 /nfs/dbraw/zinc/14/56/78/906145678.db2.gz DPHIJNTWJURYSX-RYUDHWBXSA-N 1 3 282.388 -0.641 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001418052654 906152358 /nfs/dbraw/zinc/15/23/58/906152358.db2.gz ZNVNVIKSIBZTIP-MNOVXSKESA-N 1 3 270.377 -0.609 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001418065236 906153823 /nfs/dbraw/zinc/15/38/23/906153823.db2.gz UCXUJWTZTUTZPV-KKOKHZNYSA-N 1 3 284.404 -0.173 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001418114666 906172168 /nfs/dbraw/zinc/17/21/68/906172168.db2.gz UYTHKSSCBWIIJD-BETUJISGSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001418112063 906173306 /nfs/dbraw/zinc/17/33/06/906173306.db2.gz ZECGBALSDYCXOC-FRRDWIJNSA-N 1 3 294.403 -0.145 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001418232308 906230359 /nfs/dbraw/zinc/23/03/59/906230359.db2.gz CVUJDOVDCVLOSZ-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418347031 906292465 /nfs/dbraw/zinc/29/24/65/906292465.db2.gz CDIUIRHJVUYMLF-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418513241 906380251 /nfs/dbraw/zinc/38/02/51/906380251.db2.gz WFTUPYFHTNMFKK-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418513241 906380267 /nfs/dbraw/zinc/38/02/67/906380267.db2.gz WFTUPYFHTNMFKK-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001418817101 906485000 /nfs/dbraw/zinc/48/50/00/906485000.db2.gz QZAZVZKHTNVGCC-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418813219 906485246 /nfs/dbraw/zinc/48/52/46/906485246.db2.gz VAALKZVFFKBJQC-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418813219 906485250 /nfs/dbraw/zinc/48/52/50/906485250.db2.gz VAALKZVFFKBJQC-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001418814231 906486703 /nfs/dbraw/zinc/48/67/03/906486703.db2.gz XPVYNRMCGWUFHM-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418825930 906488645 /nfs/dbraw/zinc/48/86/45/906488645.db2.gz IKJBGMBRCPQHTR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418825930 906488655 /nfs/dbraw/zinc/48/86/55/906488655.db2.gz IKJBGMBRCPQHTR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001418832128 906490097 /nfs/dbraw/zinc/49/00/97/906490097.db2.gz RCZJYOTZSNSEIT-NWDGAFQWSA-N 1 3 286.420 -0.149 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001419224712 906641435 /nfs/dbraw/zinc/64/14/35/906641435.db2.gz RVRHVCJZEIZETB-CMPLNLGQSA-N 1 3 284.404 -0.314 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001419385361 906674360 /nfs/dbraw/zinc/67/43/60/906674360.db2.gz HPQDKAQFVJLXRD-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001419385361 906674372 /nfs/dbraw/zinc/67/43/72/906674372.db2.gz HPQDKAQFVJLXRD-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419472876 906698096 /nfs/dbraw/zinc/69/80/96/906698096.db2.gz AGFXIUGEYHLYFY-LOWVWBTDSA-N 1 3 284.404 -0.445 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001419493166 906704126 /nfs/dbraw/zinc/70/41/26/906704126.db2.gz LGRFPGZVZBHIBS-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419490984 906705517 /nfs/dbraw/zinc/70/55/17/906705517.db2.gz JJROFXPLUNOACY-UPJWGTAASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001419513968 906709208 /nfs/dbraw/zinc/70/92/08/906709208.db2.gz IUWPDNNZDAOQGM-YVECIDJPSA-N 1 3 296.415 -0.158 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419522481 906713267 /nfs/dbraw/zinc/71/32/67/906713267.db2.gz VRLZBPXMTXTMPM-NDBYEHHHSA-N 1 3 298.431 -0.056 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001419743768 906795683 /nfs/dbraw/zinc/79/56/83/906795683.db2.gz TYBXHRJWYDJYGV-DMDPSCGWSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001419743768 906795690 /nfs/dbraw/zinc/79/56/90/906795690.db2.gz TYBXHRJWYDJYGV-DMDPSCGWSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001419743775 906797252 /nfs/dbraw/zinc/79/72/52/906797252.db2.gz TYBXHRJWYDJYGV-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001419743775 906797259 /nfs/dbraw/zinc/79/72/59/906797259.db2.gz TYBXHRJWYDJYGV-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419749335 906800857 /nfs/dbraw/zinc/80/08/57/906800857.db2.gz RVKCKJXEQIWBMM-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419749335 906800875 /nfs/dbraw/zinc/80/08/75/906800875.db2.gz RVKCKJXEQIWBMM-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419890331 906850579 /nfs/dbraw/zinc/85/05/79/906850579.db2.gz ATGNTXROJICWTM-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419891722 906851719 /nfs/dbraw/zinc/85/17/19/906851719.db2.gz CNCWJDXDLWVVHP-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419891722 906851731 /nfs/dbraw/zinc/85/17/31/906851731.db2.gz CNCWJDXDLWVVHP-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001419955289 906871878 /nfs/dbraw/zinc/87/18/78/906871878.db2.gz QVOHANMLBUHKFH-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001419976053 906878514 /nfs/dbraw/zinc/87/85/14/906878514.db2.gz SNDLVJQGMIDWND-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001420142385 906964201 /nfs/dbraw/zinc/96/42/01/906964201.db2.gz QFXGDZPZXOZAJU-NEPJUHHUSA-N 1 3 287.404 -0.428 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420247315 907044922 /nfs/dbraw/zinc/04/49/22/907044922.db2.gz DPHJQUZPMFWUPJ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420247315 907044939 /nfs/dbraw/zinc/04/49/39/907044939.db2.gz DPHJQUZPMFWUPJ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001420298990 907084465 /nfs/dbraw/zinc/08/44/65/907084465.db2.gz KIWMRNIHKVXEGT-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420299346 907084496 /nfs/dbraw/zinc/08/44/96/907084496.db2.gz NQLRQBZYCHPIPV-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001420444585 907167584 /nfs/dbraw/zinc/16/75/84/907167584.db2.gz MSRYSXGOOVBKOV-QWRGUYRKSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420509686 907189490 /nfs/dbraw/zinc/18/94/90/907189490.db2.gz FLNDBURUDKBBPC-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420509686 907189500 /nfs/dbraw/zinc/18/95/00/907189500.db2.gz FLNDBURUDKBBPC-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001420521441 907192809 /nfs/dbraw/zinc/19/28/09/907192809.db2.gz ZZEVBCKPXXCCBW-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001420711478 907275587 /nfs/dbraw/zinc/27/55/87/907275587.db2.gz CRYMZRVGUKEBFW-NWDGAFQWSA-N 1 3 282.388 -0.641 20 0 CBADHO CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN1CCCC1 ZINC001420741618 907290396 /nfs/dbraw/zinc/29/03/96/907290396.db2.gz IWZWRWKDBSPXSX-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001420779298 907299384 /nfs/dbraw/zinc/29/93/84/907299384.db2.gz DQOHALOPMDMXGG-GHMZBOCLSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001420788383 907300203 /nfs/dbraw/zinc/30/02/03/907300203.db2.gz CMPRXCBVWLHSMB-DGCLKSJQSA-N 1 3 284.404 -0.458 20 0 CBADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001420952282 907370541 /nfs/dbraw/zinc/37/05/41/907370541.db2.gz WXQJNBZLANWNDG-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001421124905 907437955 /nfs/dbraw/zinc/43/79/55/907437955.db2.gz KBYYPHYUEPJBTA-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC1 ZINC001421443739 907547690 /nfs/dbraw/zinc/54/76/90/907547690.db2.gz RLTXXCQWAGRJPT-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001421759609 907635727 /nfs/dbraw/zinc/63/57/27/907635727.db2.gz OMRWNQQAMCJKMM-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)CC[NH+](C)C ZINC001421924096 907682987 /nfs/dbraw/zinc/68/29/87/907682987.db2.gz CAMWOLDCUVMJFD-NEPJUHHUSA-N 1 3 286.420 -0.149 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001422128096 907721776 /nfs/dbraw/zinc/72/17/76/907721776.db2.gz BQPLCDQUPFHNJK-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422385391 907836281 /nfs/dbraw/zinc/83/62/81/907836281.db2.gz AAOZIKAYPBHZNH-ONGXEEELSA-N 1 3 284.360 -0.638 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422389288 907838760 /nfs/dbraw/zinc/83/87/60/907838760.db2.gz IHRQVXYTJFSDAK-ONGXEEELSA-N 1 3 284.360 -0.638 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390307 907839641 /nfs/dbraw/zinc/83/96/41/907839641.db2.gz QYIWUZNDRGELRG-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)NC)C1 ZINC001422543891 907915421 /nfs/dbraw/zinc/91/54/21/907915421.db2.gz MDODZLYIABPXAZ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)NC)C1 ZINC001422543891 907915432 /nfs/dbraw/zinc/91/54/32/907915432.db2.gz MDODZLYIABPXAZ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422555551 907920672 /nfs/dbraw/zinc/92/06/72/907920672.db2.gz ZPSBULUDULEPQH-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001422554979 907921100 /nfs/dbraw/zinc/92/11/00/907921100.db2.gz YGDMAIDXUCTYJL-MXWKQRLJSA-N 1 3 272.393 -0.445 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001422587691 907935785 /nfs/dbraw/zinc/93/57/85/907935785.db2.gz YHSLJESTCCNOCZ-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422646956 907965039 /nfs/dbraw/zinc/96/50/39/907965039.db2.gz BVLFLALHCKFEOA-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001422693961 907977229 /nfs/dbraw/zinc/97/72/29/907977229.db2.gz AIHQKFJYBBKTSW-TUAOUCFPSA-N 1 3 286.420 -0.102 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001422733304 907988361 /nfs/dbraw/zinc/98/83/61/907988361.db2.gz ZFMYPSDGNLPMOD-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001422733304 907988368 /nfs/dbraw/zinc/98/83/68/907988368.db2.gz ZFMYPSDGNLPMOD-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001422858139 908038881 /nfs/dbraw/zinc/03/88/81/908038881.db2.gz XLBHNBVQIOOHEL-YIYPIFLZSA-N 1 3 283.416 -0.141 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001422858139 908038867 /nfs/dbraw/zinc/03/88/67/908038867.db2.gz XLBHNBVQIOOHEL-YIYPIFLZSA-N 1 3 283.416 -0.141 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001423078971 908101855 /nfs/dbraw/zinc/10/18/55/908101855.db2.gz PEFSJBNPKAXXJQ-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423173149 908128233 /nfs/dbraw/zinc/12/82/33/908128233.db2.gz YYPPFIIDFWEQRX-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423173149 908128241 /nfs/dbraw/zinc/12/82/41/908128241.db2.gz YYPPFIIDFWEQRX-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001423288916 908192629 /nfs/dbraw/zinc/19/26/29/908192629.db2.gz OVCYLLBATXKEQQ-NEPJUHHUSA-N 1 3 296.371 -0.636 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001423332084 908205142 /nfs/dbraw/zinc/20/51/42/908205142.db2.gz VKOACPGFGAKGGJ-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001423472594 908248892 /nfs/dbraw/zinc/24/88/92/908248892.db2.gz ZEVHWYFMUNYRHG-CMPLNLGQSA-N 1 3 284.360 -0.604 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC1 ZINC001423625676 908295456 /nfs/dbraw/zinc/29/54/56/908295456.db2.gz RAYIKYGAIJKCSQ-GFCCVEGCSA-N 1 3 298.431 -0.066 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001423967934 908375843 /nfs/dbraw/zinc/37/58/43/908375843.db2.gz XRIIKJTZVWLSLE-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001424492013 908464440 /nfs/dbraw/zinc/46/44/40/908464440.db2.gz UMHIVWDNADBXQP-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424488961 908464490 /nfs/dbraw/zinc/46/44/90/908464490.db2.gz UDUZNNZJDPTXIH-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)NCC(N)=O ZINC001424796107 908509821 /nfs/dbraw/zinc/50/98/21/908509821.db2.gz XDQIMSKHHAITJW-WDEREUQCSA-N 1 3 282.388 -0.417 20 0 CBADHO C[NH+](C)CCCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001505386261 921416703 /nfs/dbraw/zinc/41/67/03/921416703.db2.gz JFGBVGWGNJGLJV-UHFFFAOYSA-N 1 3 287.404 -0.736 20 0 CBADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001425316847 908616544 /nfs/dbraw/zinc/61/65/44/908616544.db2.gz AOZFXPLHTAQIIB-LPWJVIDDSA-N 1 3 296.415 -0.633 20 0 CBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001425580606 908677203 /nfs/dbraw/zinc/67/72/03/908677203.db2.gz PUZUMIOVJKUSLV-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001425663046 908687886 /nfs/dbraw/zinc/68/78/86/908687886.db2.gz PQONOSBZOGEFIP-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001425663046 908687887 /nfs/dbraw/zinc/68/78/87/908687887.db2.gz PQONOSBZOGEFIP-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678023 908690770 /nfs/dbraw/zinc/69/07/70/908690770.db2.gz CWJCBGMSHVHZTI-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678023 908690778 /nfs/dbraw/zinc/69/07/78/908690778.db2.gz CWJCBGMSHVHZTI-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001425917560 908781936 /nfs/dbraw/zinc/78/19/36/908781936.db2.gz ONPLISFYZCBUSY-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001425917560 908781940 /nfs/dbraw/zinc/78/19/40/908781940.db2.gz ONPLISFYZCBUSY-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001425970738 908790894 /nfs/dbraw/zinc/79/08/94/908790894.db2.gz JNGMOXVXDSDYDW-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001425970738 908790900 /nfs/dbraw/zinc/79/09/00/908790900.db2.gz JNGMOXVXDSDYDW-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505678616 921464559 /nfs/dbraw/zinc/46/45/59/921464559.db2.gz PEZUYARUBZBOBN-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001436877133 910499577 /nfs/dbraw/zinc/49/95/77/910499577.db2.gz LDKFONCWFIOSNH-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001437198739 910583841 /nfs/dbraw/zinc/58/38/41/910583841.db2.gz JAFVKBASQYOXPF-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437334709 910619446 /nfs/dbraw/zinc/61/94/46/910619446.db2.gz YAPIMZPRZZFTQV-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001437380479 910624819 /nfs/dbraw/zinc/62/48/19/910624819.db2.gz LBVLPITXUCUYBZ-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438381257 910886755 /nfs/dbraw/zinc/88/67/55/910886755.db2.gz WPHQUYFRSNXGCL-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438381257 910886759 /nfs/dbraw/zinc/88/67/59/910886759.db2.gz WPHQUYFRSNXGCL-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001438553752 910915312 /nfs/dbraw/zinc/91/53/12/910915312.db2.gz QNEFYCUPKPGIIW-LBPRGKRZSA-N 1 3 286.420 -0.243 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001438545757 910916713 /nfs/dbraw/zinc/91/67/13/910916713.db2.gz QWGRXTZDOJMJDG-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438650599 910947388 /nfs/dbraw/zinc/94/73/88/910947388.db2.gz ZYRSWDFFQXKLNF-PWSUYJOCSA-N 1 3 282.388 -0.750 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001439076293 911086591 /nfs/dbraw/zinc/08/65/91/911086591.db2.gz XNRXQFKSQGVMLK-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439083912 911096188 /nfs/dbraw/zinc/09/61/88/911096188.db2.gz MDXAVIVUWANGJZ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439083912 911096227 /nfs/dbraw/zinc/09/62/27/911096227.db2.gz MDXAVIVUWANGJZ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001439151044 911119186 /nfs/dbraw/zinc/11/91/86/911119186.db2.gz VDFRFIQGODHBJU-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001439169544 911126132 /nfs/dbraw/zinc/12/61/32/911126132.db2.gz YKWKUKFTOQNDMV-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439229151 911150586 /nfs/dbraw/zinc/15/05/86/911150586.db2.gz YTSKYEHVTCVDQS-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001439246430 911155747 /nfs/dbraw/zinc/15/57/47/911155747.db2.gz SIPYDNAOWNCVGG-JQWIXIFHSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439268044 911162038 /nfs/dbraw/zinc/16/20/38/911162038.db2.gz GBANBHAZNIOLEZ-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001439454970 911211590 /nfs/dbraw/zinc/21/15/90/911211590.db2.gz JOLPYSVVBROEIR-ZDUSSCGKSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001439782051 911286839 /nfs/dbraw/zinc/28/68/39/911286839.db2.gz GBRMOMHPMZVILQ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001439782051 911286854 /nfs/dbraw/zinc/28/68/54/911286854.db2.gz GBRMOMHPMZVILQ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001440300584 911423619 /nfs/dbraw/zinc/42/36/19/911423619.db2.gz GKVNFDSWIVJUQP-QNWHQSFQSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001440300582 911424243 /nfs/dbraw/zinc/42/42/43/911424243.db2.gz GKVNFDSWIVJUQP-LPWJVIDDSA-N 1 3 296.415 -0.314 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440373713 911440283 /nfs/dbraw/zinc/44/02/83/911440283.db2.gz XNLUCVPOWUWNEY-JOCQHMNTSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001440372428 911440350 /nfs/dbraw/zinc/44/03/50/911440350.db2.gz HFGGUEARSPBZED-WCQYABFASA-N 1 3 296.371 -0.196 20 0 CBADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(N)=O)C1 ZINC001440417548 911447081 /nfs/dbraw/zinc/44/70/81/911447081.db2.gz CGQCCXKEKKSZJV-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001440599104 911479671 /nfs/dbraw/zinc/47/96/71/911479671.db2.gz PRQJREDCEDXSFH-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)CC1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1 ZINC001441236533 911631475 /nfs/dbraw/zinc/63/14/75/911631475.db2.gz BINHOTFJKZXBBM-NSHDSACASA-N 1 3 282.388 -0.702 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001441422423 911666389 /nfs/dbraw/zinc/66/63/89/911666389.db2.gz VRLZBPXMTXTMPM-CYDGBPFRSA-N 1 3 298.431 -0.056 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441483930 911682376 /nfs/dbraw/zinc/68/23/76/911682376.db2.gz BUVMSBWDDJODEN-UTUOFQBUSA-N 1 3 296.415 -0.158 20 0 CBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001441771458 911795141 /nfs/dbraw/zinc/79/51/41/911795141.db2.gz WYYVUGVXCLJASJ-OLZOCXBDSA-N 1 3 287.404 -0.692 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001441937140 911860801 /nfs/dbraw/zinc/86/08/01/911860801.db2.gz KMISLZINEBGNRK-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(C)C1=O ZINC001442005610 911890795 /nfs/dbraw/zinc/89/07/95/911890795.db2.gz GCPTZHXFWLGBRO-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001442016798 911893102 /nfs/dbraw/zinc/89/31/02/911893102.db2.gz YMLBOUDZXGPEHC-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001442164378 911943284 /nfs/dbraw/zinc/94/32/84/911943284.db2.gz ZNEYEKBJMBHVAV-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001443073400 912148167 /nfs/dbraw/zinc/14/81/67/912148167.db2.gz DHUXPOMKYBDXEG-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001443073400 912148174 /nfs/dbraw/zinc/14/81/74/912148174.db2.gz DHUXPOMKYBDXEG-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443090029 912151316 /nfs/dbraw/zinc/15/13/16/912151316.db2.gz IOIPROSBISUOCF-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443090029 912151323 /nfs/dbraw/zinc/15/13/23/912151323.db2.gz IOIPROSBISUOCF-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001443093677 912155693 /nfs/dbraw/zinc/15/56/93/912155693.db2.gz AWYLFWZOFNCOHP-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001443100310 912156941 /nfs/dbraw/zinc/15/69/41/912156941.db2.gz UDVUFXOKIDAZCP-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001443100310 912156949 /nfs/dbraw/zinc/15/69/49/912156949.db2.gz UDVUFXOKIDAZCP-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCOC2CCC2)C1 ZINC001507261410 921792280 /nfs/dbraw/zinc/79/22/80/921792280.db2.gz SBTMXZSQOLVZTG-OLZOCXBDSA-N 1 3 299.415 -0.426 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001472626944 915756885 /nfs/dbraw/zinc/75/68/85/915756885.db2.gz OGZJDKKTZCLYJJ-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001472626944 915756896 /nfs/dbraw/zinc/75/68/96/915756896.db2.gz OGZJDKKTZCLYJJ-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCOC2CCC2)C1 ZINC001507261410 921792292 /nfs/dbraw/zinc/79/22/92/921792292.db2.gz SBTMXZSQOLVZTG-OLZOCXBDSA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317451 921807097 /nfs/dbraw/zinc/80/70/97/921807097.db2.gz GXAAKFKMSRJAMR-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001479322596 916117404 /nfs/dbraw/zinc/11/74/04/916117404.db2.gz WBIZXHLRGAQSLO-UTUOFQBUSA-N 1 3 282.388 -0.702 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001479337486 916117443 /nfs/dbraw/zinc/11/74/43/916117443.db2.gz ANOAVNSEKGWETH-PHIMTYICSA-N 1 3 270.377 -0.702 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001479923051 916219741 /nfs/dbraw/zinc/21/97/41/916219741.db2.gz OJVOPNOVOOMICX-CQSZACIVSA-N 1 3 298.431 -0.946 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001479923051 916219758 /nfs/dbraw/zinc/21/97/58/916219758.db2.gz OJVOPNOVOOMICX-CQSZACIVSA-N 1 3 298.431 -0.946 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001480141307 916307945 /nfs/dbraw/zinc/30/79/45/916307945.db2.gz BVVZTYFFEXKQFD-XYPYZODXSA-N 1 3 255.362 -0.300 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001480157165 916313736 /nfs/dbraw/zinc/31/37/36/916313736.db2.gz ISGHPUONYKMUOD-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001480173857 916318914 /nfs/dbraw/zinc/31/89/14/916318914.db2.gz OQFQEEWSOKGNKD-IJLUTSLNSA-N 1 3 284.404 -0.173 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001480301988 916355463 /nfs/dbraw/zinc/35/54/63/916355463.db2.gz DBLDJSGHNCETDZ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001480478491 916436745 /nfs/dbraw/zinc/43/67/45/916436745.db2.gz ZKGIHEAWPYXIPI-ZYHUDNBSSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)[NH+](C)C ZINC001480574628 916477890 /nfs/dbraw/zinc/47/78/90/916477890.db2.gz GSXZLUPXBZAMIZ-KOLCDFICSA-N 1 3 258.366 -0.848 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(N)=O)[NH+](C)C ZINC001480574603 916478787 /nfs/dbraw/zinc/47/87/87/916478787.db2.gz GSXZLUPXBZAMIZ-GXSJLCMTSA-N 1 3 258.366 -0.848 20 0 CBADHO COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001480612602 916494558 /nfs/dbraw/zinc/49/45/58/916494558.db2.gz AKJASYLYCNUSGG-KBPBESRZSA-N 1 3 299.415 -0.066 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001480639427 916506162 /nfs/dbraw/zinc/50/61/62/916506162.db2.gz ZNEYEKBJMBHVAV-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001480674374 916517926 /nfs/dbraw/zinc/51/79/26/916517926.db2.gz OSOVWWDFJCXCMP-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)N(C)C ZINC001480793029 916542349 /nfs/dbraw/zinc/54/23/49/916542349.db2.gz WKOSHEYFKNQZBG-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)NCC[N@H+](CCO)C1CC1 ZINC001481199443 916747287 /nfs/dbraw/zinc/74/72/87/916747287.db2.gz FUDSQWRZPRHJBJ-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001481199443 916747291 /nfs/dbraw/zinc/74/72/91/916747291.db2.gz FUDSQWRZPRHJBJ-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481228642 916776771 /nfs/dbraw/zinc/77/67/71/916776771.db2.gz HHJZCSQUAUERHW-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481228642 916776785 /nfs/dbraw/zinc/77/67/85/916776785.db2.gz HHJZCSQUAUERHW-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481228646 916777231 /nfs/dbraw/zinc/77/72/31/916777231.db2.gz HHJZCSQUAUERHW-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481228646 916777237 /nfs/dbraw/zinc/77/72/37/916777237.db2.gz HHJZCSQUAUERHW-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481273286 916799659 /nfs/dbraw/zinc/79/96/59/916799659.db2.gz QYSQUBOPESMQBX-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)CC[NH+](C)C ZINC001481276787 916801032 /nfs/dbraw/zinc/80/10/32/916801032.db2.gz GZOCGJXSVOHSCD-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CCN(CCO)C1 ZINC001481748539 916975985 /nfs/dbraw/zinc/97/59/85/916975985.db2.gz QNGCGDSVVOEFNW-ZDUSSCGKSA-N 1 3 299.415 -0.378 20 0 CBADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC ZINC001481828548 916999983 /nfs/dbraw/zinc/99/99/83/916999983.db2.gz DSOMLCNOLWLPBG-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001481874164 917013079 /nfs/dbraw/zinc/01/30/79/917013079.db2.gz FFLBWMOIZVXXJY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001481874164 917013099 /nfs/dbraw/zinc/01/30/99/917013099.db2.gz FFLBWMOIZVXXJY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394195 917142815 /nfs/dbraw/zinc/14/28/15/917142815.db2.gz OIFFHKZBNUHXAE-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495838 917151106 /nfs/dbraw/zinc/15/11/06/917151106.db2.gz STZFTGSFJDQYBL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001482764924 917263492 /nfs/dbraw/zinc/26/34/92/917263492.db2.gz ZASIBFZPQCNWIL-CYBMUJFWSA-N 1 3 280.372 -0.400 20 0 CBADHO C[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001482774110 917271727 /nfs/dbraw/zinc/27/17/27/917271727.db2.gz HCSGOMSCEZXHAI-CHWSQXEVSA-N 1 3 287.404 -0.690 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001482901026 917329148 /nfs/dbraw/zinc/32/91/48/917329148.db2.gz IKIJTILJHAKHSS-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCO ZINC001482990705 917360651 /nfs/dbraw/zinc/36/06/51/917360651.db2.gz GQYWSHZKWKTVDK-QAVQXKDTSA-N 1 3 255.362 -0.275 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192678 917455479 /nfs/dbraw/zinc/45/54/79/917455479.db2.gz CDWRNIAYBKHYQL-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483192678 917455490 /nfs/dbraw/zinc/45/54/90/917455490.db2.gz CDWRNIAYBKHYQL-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483193340 917458154 /nfs/dbraw/zinc/45/81/54/917458154.db2.gz XPHCVWHTNALKHH-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483193340 917458163 /nfs/dbraw/zinc/45/81/63/917458163.db2.gz XPHCVWHTNALKHH-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC ZINC001483232488 917488531 /nfs/dbraw/zinc/48/85/31/917488531.db2.gz DTHDQNMGRBZSII-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC ZINC001483232488 917488537 /nfs/dbraw/zinc/48/85/37/917488537.db2.gz DTHDQNMGRBZSII-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNCc1cncn1C)NC(=O)CC[NH+](C)C ZINC001483262070 917498620 /nfs/dbraw/zinc/49/86/20/917498620.db2.gz RKCZJBVLQNUCGP-NSHDSACASA-N 1 3 267.377 -0.034 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC)N(C)C ZINC001483473316 917573009 /nfs/dbraw/zinc/57/30/09/917573009.db2.gz AWOQOEWUACWUGC-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483945492 917712633 /nfs/dbraw/zinc/71/26/33/917712633.db2.gz ZCOMOKKIYVUKHC-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483945492 917712650 /nfs/dbraw/zinc/71/26/50/917712650.db2.gz ZCOMOKKIYVUKHC-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001484411696 917840780 /nfs/dbraw/zinc/84/07/80/917840780.db2.gz CYDMEVPXMRLAGR-RWMBFGLXSA-N 1 3 296.415 -0.537 20 0 CBADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471139 918126298 /nfs/dbraw/zinc/12/62/98/918126298.db2.gz CZGSUEWIELLTHY-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471139 918126304 /nfs/dbraw/zinc/12/63/04/918126304.db2.gz CZGSUEWIELLTHY-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H](C)C(N)=O ZINC001485916519 918224741 /nfs/dbraw/zinc/22/47/41/918224741.db2.gz STDNOPOICVWNKA-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001485856923 918214521 /nfs/dbraw/zinc/21/45/21/918214521.db2.gz WAPVMJZQGKZGFW-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916736 918229365 /nfs/dbraw/zinc/22/93/65/918229365.db2.gz WXZWGNWGIGUQPU-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001485940978 918234207 /nfs/dbraw/zinc/23/42/07/918234207.db2.gz MDIWOVRGEPDREQ-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001485940978 918234217 /nfs/dbraw/zinc/23/42/17/918234217.db2.gz MDIWOVRGEPDREQ-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001485954938 918241149 /nfs/dbraw/zinc/24/11/49/918241149.db2.gz BIHIHTOILRBCPT-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001485954938 918241169 /nfs/dbraw/zinc/24/11/69/918241169.db2.gz BIHIHTOILRBCPT-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002528 918294318 /nfs/dbraw/zinc/29/43/18/918294318.db2.gz RZDARDXRPOYHKZ-RYUDHWBXSA-N 1 3 287.404 -0.428 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC ZINC001486002008 918295077 /nfs/dbraw/zinc/29/50/77/918295077.db2.gz LMJGQRNOHFBCFI-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO COCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001486300588 918417713 /nfs/dbraw/zinc/41/77/13/918417713.db2.gz FNOWLUXCAKDZGO-LLVKDONJSA-N 1 3 270.333 -0.993 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001488803452 918768664 /nfs/dbraw/zinc/76/86/64/918768664.db2.gz FRUKKKRCINVGMT-UPJWGTAASA-N 1 3 298.431 -0.055 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001488793449 918770074 /nfs/dbraw/zinc/77/00/74/918770074.db2.gz XNLUCVPOWUWNEY-BETUJISGSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358247 918900079 /nfs/dbraw/zinc/90/00/79/918900079.db2.gz WXCWTSSOKDJBHL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358247 918900088 /nfs/dbraw/zinc/90/00/88/918900088.db2.gz WXCWTSSOKDJBHL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490925175 918993462 /nfs/dbraw/zinc/99/34/62/918993462.db2.gz YJZZUVFDLYBCEG-XYPYZODXSA-N 1 3 280.376 -0.496 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001491080526 919024829 /nfs/dbraw/zinc/02/48/29/919024829.db2.gz PARCWYNRQKGDDR-GARJFASQSA-N 1 3 270.377 -0.563 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001491080501 919026262 /nfs/dbraw/zinc/02/62/62/919026262.db2.gz OQFQEEWSOKGNKD-TUAOUCFPSA-N 1 3 284.404 -0.173 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001491080528 919026493 /nfs/dbraw/zinc/02/64/93/919026493.db2.gz PARCWYNRQKGDDR-MXWKQRLJSA-N 1 3 270.377 -0.563 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001491186338 919071999 /nfs/dbraw/zinc/07/19/99/919071999.db2.gz MUHIONRHKLWGMC-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001491455452 919169344 /nfs/dbraw/zinc/16/93/44/919169344.db2.gz RFMWAFYJIMSUIB-NWDGAFQWSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001491477653 919176565 /nfs/dbraw/zinc/17/65/65/919176565.db2.gz LHVFREVGZSBMKS-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671653 919248882 /nfs/dbraw/zinc/24/88/82/919248882.db2.gz BMZHEBQQDDTNPF-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671653 919248891 /nfs/dbraw/zinc/24/88/91/919248891.db2.gz BMZHEBQQDDTNPF-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672799 919250282 /nfs/dbraw/zinc/25/02/82/919250282.db2.gz JCKDACJDAOHRQJ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672799 919250292 /nfs/dbraw/zinc/25/02/92/919250292.db2.gz JCKDACJDAOHRQJ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)CC[NH+](C)C ZINC001491760584 919267232 /nfs/dbraw/zinc/26/72/32/919267232.db2.gz NYZATENGJSJUPO-UHFFFAOYSA-N 1 3 295.387 -0.165 20 0 CBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCO ZINC001492035198 919315159 /nfs/dbraw/zinc/31/51/59/919315159.db2.gz TWQASBPCAAQDMI-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCO ZINC001492035199 919315691 /nfs/dbraw/zinc/31/56/91/919315691.db2.gz TWQASBPCAAQDMI-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550839 919576676 /nfs/dbraw/zinc/57/66/76/919576676.db2.gz JZOIVJFYAODDNQ-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550839 919576684 /nfs/dbraw/zinc/57/66/84/919576684.db2.gz JZOIVJFYAODDNQ-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(=O)N(C)C ZINC001493600753 919588607 /nfs/dbraw/zinc/58/86/07/919588607.db2.gz RHTYUXHCMGUGJZ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495106986 919864041 /nfs/dbraw/zinc/86/40/41/919864041.db2.gz JKCQABIWGSYFIW-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001495106986 919864052 /nfs/dbraw/zinc/86/40/52/919864052.db2.gz JKCQABIWGSYFIW-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001495106050 919864895 /nfs/dbraw/zinc/86/48/95/919864895.db2.gz DXZGXGBIGYEOCL-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001495106050 919864906 /nfs/dbraw/zinc/86/49/06/919864906.db2.gz DXZGXGBIGYEOCL-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301404 919882328 /nfs/dbraw/zinc/88/23/28/919882328.db2.gz UHCSOQFEANHTKC-QMTHXVAHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301404 919882342 /nfs/dbraw/zinc/88/23/42/919882342.db2.gz UHCSOQFEANHTKC-QMTHXVAHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCNC1=O ZINC001495682557 919926796 /nfs/dbraw/zinc/92/67/96/919926796.db2.gz FKEFLWBPMMYACQ-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495682553 919928667 /nfs/dbraw/zinc/92/86/67/919928667.db2.gz FKEFLWBPMMYACQ-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082252 920024312 /nfs/dbraw/zinc/02/43/12/920024312.db2.gz SHIVXQQZBMPSEN-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144884 920032508 /nfs/dbraw/zinc/03/25/08/920032508.db2.gz NJZRQFSAAZOLGG-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001496141742 920032545 /nfs/dbraw/zinc/03/25/45/920032545.db2.gz BSLXJEVSSMACJO-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496145931 920036025 /nfs/dbraw/zinc/03/60/25/920036025.db2.gz VQQVUJAVHUOLTR-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[N@H+](C)CC ZINC001497478119 920312342 /nfs/dbraw/zinc/31/23/42/920312342.db2.gz RRZVMVDZHHMAFY-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[N@@H+](C)CC ZINC001497478119 920312363 /nfs/dbraw/zinc/31/23/63/920312363.db2.gz RRZVMVDZHHMAFY-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001497909881 920422759 /nfs/dbraw/zinc/42/27/59/920422759.db2.gz DZHRAOPEOOCYBV-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983506 920433583 /nfs/dbraw/zinc/43/35/83/920433583.db2.gz FEGBLWMVEAGONM-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983506 920433588 /nfs/dbraw/zinc/43/35/88/920433588.db2.gz FEGBLWMVEAGONM-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042787 920457950 /nfs/dbraw/zinc/45/79/50/920457950.db2.gz AMOBLWKLOZWIOQ-JQWIXIFHSA-N 1 3 282.388 -0.832 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001498053443 920463042 /nfs/dbraw/zinc/46/30/42/920463042.db2.gz NIJXKWLKXJYYIJ-CMPLNLGQSA-N 1 3 284.404 -0.171 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC)C1 ZINC001498099561 920478718 /nfs/dbraw/zinc/47/87/18/920478718.db2.gz MDODZLYIABPXAZ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC)C1 ZINC001498099561 920478730 /nfs/dbraw/zinc/47/87/30/920478730.db2.gz MDODZLYIABPXAZ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001498104583 920481900 /nfs/dbraw/zinc/48/19/00/920481900.db2.gz FVHKZRULMZYGRS-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001498198314 920514639 /nfs/dbraw/zinc/51/46/39/920514639.db2.gz HCCMPPGTIFJFGT-GXTWGEPZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001498198315 920516670 /nfs/dbraw/zinc/51/66/70/920516670.db2.gz HCCMPPGTIFJFGT-JSGCOSHPSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001498197384 920517417 /nfs/dbraw/zinc/51/74/17/920517417.db2.gz MMGIYVWRMWTIII-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001498771274 920639740 /nfs/dbraw/zinc/63/97/40/920639740.db2.gz VCQXBTJBORXBQX-LBPRGKRZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083424 920947043 /nfs/dbraw/zinc/94/70/43/920947043.db2.gz IDFVBRGOOSHXHI-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083425 920947233 /nfs/dbraw/zinc/94/72/33/920947233.db2.gz IDFVBRGOOSHXHI-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001501242308 920955937 /nfs/dbraw/zinc/95/59/37/920955937.db2.gz CPTHJEGBRJNEKC-BETUJISGSA-N 1 3 269.389 -0.291 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001501242308 920955948 /nfs/dbraw/zinc/95/59/48/920955948.db2.gz CPTHJEGBRJNEKC-BETUJISGSA-N 1 3 269.389 -0.291 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001507337349 921813088 /nfs/dbraw/zinc/81/30/88/921813088.db2.gz CTKYHPNYWANLCP-QWHCGFSZSA-N 1 3 298.431 -0.006 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507726805 921892418 /nfs/dbraw/zinc/89/24/18/921892418.db2.gz NBVLFVUJPUEJTN-STQMWFEESA-N 1 3 287.404 -0.664 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507726805 921892428 /nfs/dbraw/zinc/89/24/28/921892428.db2.gz NBVLFVUJPUEJTN-STQMWFEESA-N 1 3 287.404 -0.664 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001508155562 921917356 /nfs/dbraw/zinc/91/73/56/921917356.db2.gz PQXWFELNJMUQAS-UHFFFAOYSA-N 1 3 298.431 -0.006 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001521526727 922366166 /nfs/dbraw/zinc/36/61/66/922366166.db2.gz HCVJNHDRJBJDLX-DMDPSCGWSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+]C[C@@H](O)CNC(=O)c1cc2c(s1)CCNC2 ZINC001522028335 922394100 /nfs/dbraw/zinc/39/41/00/922394100.db2.gz JIBRAHXYYIHGBG-MRVPVSSYSA-N 1 3 255.343 -0.557 20 0 CBADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2COC3(CNC3)C2)CC1 ZINC001521974054 922394800 /nfs/dbraw/zinc/39/48/00/922394800.db2.gz MUOGAQWZWAXZSC-GMTAPVOTSA-N 1 3 253.346 -0.249 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1CC[NH3+] ZINC001522596077 922480650 /nfs/dbraw/zinc/48/06/50/922480650.db2.gz BILYRNJOUIJZQV-UTUOFQBUSA-N 1 3 255.362 -0.192 20 0 CBADHO CCCN(C)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001530887546 922974266 /nfs/dbraw/zinc/97/42/66/922974266.db2.gz UGOCLDVKPINGED-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001548552954 923374115 /nfs/dbraw/zinc/37/41/15/923374115.db2.gz MUORIWJCKATMGD-KBPBESRZSA-N 1 3 280.416 -0.166 20 0 CBADHO CN1CCN(c2ccncc2NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001548554289 923374603 /nfs/dbraw/zinc/37/46/03/923374603.db2.gz FQWYXCYLYDFXPT-NSHDSACASA-N 1 3 293.371 -0.518 20 0 CBADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC001548554557 923376263 /nfs/dbraw/zinc/37/62/63/923376263.db2.gz ALELIQUXEOGOIG-TVQRCGJNSA-N 1 3 278.356 -0.118 20 0 CBADHO COCC1(CNC(=O)[C@H]2CNCCN2C)CC[NH2+]CC1 ZINC001548558215 923383018 /nfs/dbraw/zinc/38/30/18/923383018.db2.gz NVKMOMBZEKFIKV-GFCCVEGCSA-N 1 3 284.404 -0.978 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCC[C@H]1CSCC[NH2+]1 ZINC001548562489 923386264 /nfs/dbraw/zinc/38/62/64/923386264.db2.gz DOWOPSUVEUNKSW-QWRGUYRKSA-N 1 3 273.402 -0.424 20 0 CBADHO CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC2(CNC2)O1 ZINC001548575803 923401085 /nfs/dbraw/zinc/40/10/85/923401085.db2.gz JFTLSIGATLPFRY-ABAIWWIYSA-N 1 3 295.383 -0.656 20 0 CBADHO COCCNCC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576228 923401243 /nfs/dbraw/zinc/40/12/43/923401243.db2.gz RYIRNFYXMXHHMD-UHFFFAOYSA-N 1 3 271.361 -0.798 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548578502 923404484 /nfs/dbraw/zinc/40/44/84/923404484.db2.gz MXDZDPHXFCRDMF-NXEZZACHSA-N 1 3 255.362 -0.051 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046920 923543203 /nfs/dbraw/zinc/54/32/03/923543203.db2.gz CZAUTBFVFMSADS-DGCLKSJQSA-N 1 3 296.350 -0.398 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046919 923543718 /nfs/dbraw/zinc/54/37/18/923543718.db2.gz CZAUTBFVFMSADS-AAEUAGOBSA-N 1 3 296.350 -0.398 20 0 CBADHO C[C@@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@H](C)[NH3+] ZINC001549047814 923546979 /nfs/dbraw/zinc/54/69/79/923546979.db2.gz ZQUQVZPRVCAXJJ-JFGNBEQYSA-N 1 3 280.376 -0.116 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@@H]2[NH3+])cn1 ZINC001549049067 923547578 /nfs/dbraw/zinc/54/75/78/923547578.db2.gz CEFUBGQKEWZBQF-AGIUHOORSA-N 1 3 293.371 -0.948 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001549048236 923547829 /nfs/dbraw/zinc/54/78/29/923547829.db2.gz BOWMVJTVSBUZSK-TZMCWYRMSA-N 1 3 282.388 -0.560 20 0 CBADHO [NH3+]C[C@@]12CCC[C@H]1CN(CC(=O)N1CCNCC1)C2 ZINC001549113687 923556905 /nfs/dbraw/zinc/55/69/05/923556905.db2.gz OUDNMIRXIWNZIL-GXTWGEPZSA-N 1 3 266.389 -0.521 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549212445 923569635 /nfs/dbraw/zinc/56/96/35/923569635.db2.gz FUWSAQSJARAZLG-BEVNXUHPSA-N 1 3 280.372 -0.801 20 0 CBADHO C[C@H](N)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549725785 923630518 /nfs/dbraw/zinc/63/05/18/923630518.db2.gz DGAMGAHFFIDZGE-UWVGGRQHSA-N 1 3 263.345 -0.418 20 0 CBADHO CCC[C@H](N)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728915 923632458 /nfs/dbraw/zinc/63/24/58/923632458.db2.gz TZLKOBGIHPMFCW-OUCADQQQSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H](N)C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729208 923632888 /nfs/dbraw/zinc/63/28/88/923632888.db2.gz PPQNYYAWCPHVOG-MWLCHTKSSA-N 1 3 264.329 -0.214 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087479 923671683 /nfs/dbraw/zinc/67/16/83/923671683.db2.gz VOJQEIRJVFXLHA-GHMZBOCLSA-N 1 3 280.376 -0.198 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087483 923672428 /nfs/dbraw/zinc/67/24/28/923672428.db2.gz VOJQEIRJVFXLHA-WDEREUQCSA-N 1 3 280.376 -0.198 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096312 923677615 /nfs/dbraw/zinc/67/76/15/923677615.db2.gz KFUPHUPMZHNLDA-ZMLRMANQSA-N 1 3 278.360 -0.492 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001550094580 923679033 /nfs/dbraw/zinc/67/90/33/923679033.db2.gz RORQSRZUSKBKNT-NSHDSACASA-N 1 3 264.333 -0.738 20 0 CBADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096105 923679304 /nfs/dbraw/zinc/67/93/04/923679304.db2.gz VTRRNYGJHKZMIP-MWLCHTKSSA-N 1 3 266.349 -0.492 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097505 923681205 /nfs/dbraw/zinc/68/12/05/923681205.db2.gz SFNBITCMRAUYMD-NEPJUHHUSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097492 923681820 /nfs/dbraw/zinc/68/18/20/923681820.db2.gz OURBWANQRJYTBH-ZYHUDNBSSA-N 1 3 278.360 -0.490 20 0 CBADHO [NH3+]CC12CC(NC(=O)c3[nH]nc4c3CNCC4)(C1)C2 ZINC001550119475 923690070 /nfs/dbraw/zinc/69/00/70/923690070.db2.gz UVPVQLPLHIXAQC-UHFFFAOYSA-N 1 3 261.329 -0.333 20 0 CBADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122415 923697055 /nfs/dbraw/zinc/69/70/55/923697055.db2.gz GHHINTHBZNZVKA-OLZOCXBDSA-N 1 3 292.387 -0.064 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001550186587 923706143 /nfs/dbraw/zinc/70/61/43/923706143.db2.gz IMMGPSFNZMWZFZ-ZDEQEGDKSA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550188773 923706526 /nfs/dbraw/zinc/70/65/26/923706526.db2.gz NUJZHTCMFQJEQK-CHWSQXEVSA-N 1 3 285.388 -0.423 20 0 CBADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H](N)CC3CC3)C[C@H]2[NH3+])c1 ZINC001550196628 923711347 /nfs/dbraw/zinc/71/13/47/923711347.db2.gz YDFDGVREBFGLQL-GRYCIOLGSA-N 1 3 277.372 -0.199 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550290427 923715617 /nfs/dbraw/zinc/71/56/17/923715617.db2.gz GCNOYBHECGXUTI-FLTXBFBQSA-N 1 3 296.415 -0.117 20 0 CBADHO CN1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]2C[C@H]1CO ZINC001550744584 923745092 /nfs/dbraw/zinc/74/50/92/923745092.db2.gz PHRUCBJVRAJDBB-NRYGQCTKSA-N 1 3 294.399 -0.555 20 0 CBADHO CNC(=O)[C@@]12CN(CC(C)(C)[NH3+])C[C@H]1COCC2 ZINC001551408401 923776065 /nfs/dbraw/zinc/77/60/65/923776065.db2.gz KKBWGHYPCFPFBH-GWCFXTLKSA-N 1 3 255.362 -0.192 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC001551501910 923800069 /nfs/dbraw/zinc/80/00/69/923800069.db2.gz FXLCFYDDVCLRAA-KWCYVHTRSA-N 1 3 290.367 -0.101 20 0 CBADHO CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CCN(C)CC1 ZINC001552087440 923829313 /nfs/dbraw/zinc/82/93/13/923829313.db2.gz WAFHBOXCIDNYGP-GFCCVEGCSA-N 1 3 292.387 -0.021 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CCN1 ZINC001552164488 923845707 /nfs/dbraw/zinc/84/57/07/923845707.db2.gz WGHCRMOMAOQJKQ-RYUDHWBXSA-N 1 3 255.362 -0.321 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200454 923856373 /nfs/dbraw/zinc/85/63/73/923856373.db2.gz CLKDGBLJAFYSMI-MISXGVKJSA-N 1 3 265.357 -0.425 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1CCN(C)C1 ZINC001552215368 923869168 /nfs/dbraw/zinc/86/91/68/923869168.db2.gz FZDJDOBDQHITEV-MDZLAQPJSA-N 1 3 253.346 -0.615 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552694972 923915729 /nfs/dbraw/zinc/91/57/29/923915729.db2.gz CKRZWKLPFALXIR-LLVKDONJSA-N 1 3 293.371 -0.405 20 0 CBADHO C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(C)CC3)CCN1 ZINC001553353525 923957392 /nfs/dbraw/zinc/95/73/92/923957392.db2.gz GAPFUADVAKGKSG-YRGRVCCFSA-N 1 3 266.389 -0.652 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553407118 923981174 /nfs/dbraw/zinc/98/11/74/923981174.db2.gz GUHNONVEMYDCFU-RHYQMDGZSA-N 1 3 253.346 -0.284 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553410366 923982837 /nfs/dbraw/zinc/98/28/37/923982837.db2.gz KXRHPDIZAWCPCY-ZOBORPQBSA-N 1 3 297.399 -0.267 20 0 CBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@H]21 ZINC001553429564 923995258 /nfs/dbraw/zinc/99/52/58/923995258.db2.gz RARBCKGWHWBMRG-WZBKEBKWSA-N 1 3 295.383 -0.971 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553439885 924003494 /nfs/dbraw/zinc/00/34/94/924003494.db2.gz WLIRDYVDTGRPDH-FIQHERPVSA-N 1 3 252.362 -0.073 20 0 CBADHO C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553497930 924012040 /nfs/dbraw/zinc/01/20/40/924012040.db2.gz RAMUJKXGEDHQQN-UTUOFQBUSA-N 1 3 270.377 -0.426 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553498339 924013184 /nfs/dbraw/zinc/01/31/84/924013184.db2.gz TXRVQEFKUGCGBD-UPJWGTAASA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC12CCOCC2 ZINC001553505864 924017241 /nfs/dbraw/zinc/01/72/41/924017241.db2.gz UFZJDNPLOQRZMG-VXGBXAGGSA-N 1 3 298.387 -0.876 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553504946 924017986 /nfs/dbraw/zinc/01/79/86/924017986.db2.gz SYFWLYFFYPZGBH-AGIUHOORSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553516118 924020954 /nfs/dbraw/zinc/02/09/54/924020954.db2.gz ZAGJWHMBOCDDBW-RWMBFGLXSA-N 1 3 284.404 -0.036 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553527099 924024531 /nfs/dbraw/zinc/02/45/31/924024531.db2.gz JJXZOFVSMIBBPY-RQJABVFESA-N 1 3 296.415 -0.165 20 0 CBADHO [NH3+]CC1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553534685 924025677 /nfs/dbraw/zinc/02/56/77/924025677.db2.gz YTXVUVIDTQJJJN-QWHCGFSZSA-N 1 3 296.415 -0.034 20 0 CBADHO [NH3+]C1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553541298 924027705 /nfs/dbraw/zinc/02/77/05/924027705.db2.gz XGKSFUHFPKYDGW-NWDGAFQWSA-N 1 3 282.388 -0.282 20 0 CBADHO CN(C)C[C@@H](NC(=O)CNC(=O)CN)c1ccccc1 ZINC000040809272 230165108 /nfs/dbraw/zinc/16/51/08/230165108.db2.gz PJCLIOSBWLKCFA-GFCCVEGCSA-N 1 3 278.356 -0.520 20 0 CBADHO CN(C)CCN(C)CCC[N@H+](C)CCC(=O)NC(N)=O ZINC000411739343 282092335 /nfs/dbraw/zinc/09/23/35/282092335.db2.gz WIGOHMOTHCTNSH-UHFFFAOYSA-N 1 3 287.408 -0.613 20 0 CBADHO CN(C)CCN(C)CCC[N@@H+](C)CCC(=O)NC(N)=O ZINC000411739343 282092339 /nfs/dbraw/zinc/09/23/39/282092339.db2.gz WIGOHMOTHCTNSH-UHFFFAOYSA-N 1 3 287.408 -0.613 20 0 CBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424193362 282094891 /nfs/dbraw/zinc/09/48/91/282094891.db2.gz QOWXIVIHILQIEF-UTUOFQBUSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337839895 214282047 /nfs/dbraw/zinc/28/20/47/214282047.db2.gz FPJYWWGGMQLOMN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331510899 282196070 /nfs/dbraw/zinc/19/60/70/282196070.db2.gz PNLXSZCRSWBTAU-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126150642 187221135 /nfs/dbraw/zinc/22/11/35/187221135.db2.gz WAQJXYMAYJBAAE-SCRDCRAPSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000126150642 187221136 /nfs/dbraw/zinc/22/11/36/187221136.db2.gz WAQJXYMAYJBAAE-SCRDCRAPSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[N@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126307812 187232063 /nfs/dbraw/zinc/23/20/63/187232063.db2.gz XERQOEUWLDYNRB-NSHDSACASA-N 1 3 258.366 -0.846 20 0 CBADHO CC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126307812 187232064 /nfs/dbraw/zinc/23/20/64/187232064.db2.gz XERQOEUWLDYNRB-NSHDSACASA-N 1 3 258.366 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000126316474 187232595 /nfs/dbraw/zinc/23/25/95/187232595.db2.gz ZSLVLJNTGWTDQK-AAEUAGOBSA-N 1 3 284.404 -0.362 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419431645 290675960 /nfs/dbraw/zinc/67/59/60/290675960.db2.gz XMQCQOMMTOWXHV-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423235467 282251238 /nfs/dbraw/zinc/25/12/38/282251238.db2.gz NBWJNCJOOYGQMM-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(C2CC2)C1 ZINC000351515877 219110640 /nfs/dbraw/zinc/11/06/40/219110640.db2.gz DCZACLWHIQSAAY-ZYHUDNBSSA-N 1 3 280.372 -0.793 20 0 CBADHO CCN1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351557935 219125262 /nfs/dbraw/zinc/12/52/62/219125262.db2.gz QMDKPSTVTPVRNU-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000351556398 219125303 /nfs/dbraw/zinc/12/53/03/219125303.db2.gz NZOLKQFZOQUPAO-WZRBSPASSA-N 1 3 294.399 -0.404 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423590439 290722531 /nfs/dbraw/zinc/72/25/31/290722531.db2.gz AZGCPPJVFFDJNC-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H](C[NH+](C)C)NC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000576459645 335206218 /nfs/dbraw/zinc/20/62/18/335206218.db2.gz IVIIIDUQQHUVCC-REWJHTLYSA-N 1 3 273.421 -0.004 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCCN(C)CC1 ZINC000339364947 215122808 /nfs/dbraw/zinc/12/28/08/215122808.db2.gz IWCQCIDOTZQSSF-UHFFFAOYSA-N 1 3 272.393 -0.088 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCCN(C)CC1 ZINC000339364947 215122809 /nfs/dbraw/zinc/12/28/09/215122809.db2.gz IWCQCIDOTZQSSF-UHFFFAOYSA-N 1 3 272.393 -0.088 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000351993837 219280563 /nfs/dbraw/zinc/28/05/63/219280563.db2.gz LANMXYCUWRVEIC-JSGCOSHPSA-N 1 3 286.420 -0.034 20 0 CBADHO COCCN(C)CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291159 180123099 /nfs/dbraw/zinc/12/30/99/180123099.db2.gz WRGSZKANFNSVMX-NSHDSACASA-N 1 3 275.418 -0.224 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000091299137 180125709 /nfs/dbraw/zinc/12/57/09/180125709.db2.gz UFGKYXCJHXBKBX-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000091299137 180125711 /nfs/dbraw/zinc/12/57/11/180125711.db2.gz UFGKYXCJHXBKBX-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091300372 180127616 /nfs/dbraw/zinc/12/76/16/180127616.db2.gz VISVJCYAWHDIRU-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091300372 180127618 /nfs/dbraw/zinc/12/76/18/180127618.db2.gz VISVJCYAWHDIRU-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH2+]CCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668821 180224034 /nfs/dbraw/zinc/22/40/34/180224034.db2.gz STQPLQXNOYTTFU-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1=O ZINC000128532171 282704332 /nfs/dbraw/zinc/70/43/32/282704332.db2.gz IXEUNOCBILPOIM-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO COCCNCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092495642 180396324 /nfs/dbraw/zinc/39/63/24/180396324.db2.gz JUMLVNILQWOJPW-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCNCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000092495642 180396326 /nfs/dbraw/zinc/39/63/26/180396326.db2.gz JUMLVNILQWOJPW-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCNCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092495641 180396607 /nfs/dbraw/zinc/39/66/07/180396607.db2.gz JUMLVNILQWOJPW-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO COCCNCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092495641 180396608 /nfs/dbraw/zinc/39/66/08/180396608.db2.gz JUMLVNILQWOJPW-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO COC[C@]1(CNC(=O)C[C@H]2CNCCO2)CCC[NH2+]1 ZINC000573844217 334971001 /nfs/dbraw/zinc/97/10/01/334971001.db2.gz QYGKOPBJKPOHCP-WCQYABFASA-N 1 3 271.361 -0.750 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C2CCN(C)CC2)C1 ZINC000042276764 351429054 /nfs/dbraw/zinc/42/90/54/351429054.db2.gz ZKUOONUNRGSGRZ-NWDGAFQWSA-N 1 3 255.362 -0.084 20 0 CBADHO CN1CCN(CCCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062899488 351576839 /nfs/dbraw/zinc/57/68/39/351576839.db2.gz CYGAJIBDEVAPKR-CQSZACIVSA-N 1 3 268.405 -0.260 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCn2cccn2)C1 ZINC000063179951 351580783 /nfs/dbraw/zinc/58/07/83/351580783.db2.gz NIYQAJDPOPOXMK-GFCCVEGCSA-N 1 3 265.361 -0.330 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000070171091 351635935 /nfs/dbraw/zinc/63/59/35/351635935.db2.gz AGJMWDSUYKLEDV-AWEZNQCLSA-N 1 3 296.415 -0.262 20 0 CBADHO C[C@@H]([NH3+])CCC(=O)NCCCN1CCN(C)CC1 ZINC000070317399 351639208 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ZINC000082258035 351711363 /nfs/dbraw/zinc/71/13/63/351711363.db2.gz HLNOHLHYGMOBLK-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC000114076521 351816040 /nfs/dbraw/zinc/81/60/40/351816040.db2.gz ZBHBNIROCTXJMC-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC[C@H]1CN(CCC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122808138 351853821 /nfs/dbraw/zinc/85/38/21/351853821.db2.gz VGMDWMVLHGDFNZ-UWVGGRQHSA-N 1 3 256.350 -0.109 20 0 CBADHO CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000130465836 351879404 /nfs/dbraw/zinc/87/94/04/351879404.db2.gz WMLUVKQTVSFSPB-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO CNC(=O)CN(C)CCCCN(C)CC(=O)NC ZINC000127436654 351862900 /nfs/dbraw/zinc/86/29/00/351862900.db2.gz NZRXSUDVHBCBKM-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CNC(=O)CN(C)CCCC[N@H+](C)CC(=O)NC ZINC000127436654 351862902 /nfs/dbraw/zinc/86/29/02/351862902.db2.gz NZRXSUDVHBCBKM-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CNC(=O)CN(C)CCCC[N@@H+](C)CC(=O)NC ZINC000127436654 351862905 /nfs/dbraw/zinc/86/29/05/351862905.db2.gz NZRXSUDVHBCBKM-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000132060372 351889431 /nfs/dbraw/zinc/88/94/31/351889431.db2.gz BZVSVOGRNTYCCG-RYUDHWBXSA-N 1 3 282.388 -0.558 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157780840 351958000 /nfs/dbraw/zinc/95/80/00/351958000.db2.gz XLLBQCFHNUCMPU-STQMWFEESA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157780840 351958003 /nfs/dbraw/zinc/95/80/03/351958003.db2.gz XLLBQCFHNUCMPU-STQMWFEESA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCCCN1CC[NH2+]CC1 ZINC000158789634 351960230 /nfs/dbraw/zinc/96/02/30/351960230.db2.gz PZJJMWIYHDHQQL-CYBMUJFWSA-N 1 3 284.404 -0.834 20 0 CBADHO COCCN(C)CCCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000165307044 351985543 /nfs/dbraw/zinc/98/55/43/351985543.db2.gz ZXORAMQNJOMHEA-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO COCCN1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000165856173 351986475 /nfs/dbraw/zinc/98/64/75/351986475.db2.gz ATFJPBHTHIQAMR-ZDUSSCGKSA-N 1 3 273.352 -0.085 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167213686 351988386 /nfs/dbraw/zinc/98/83/86/351988386.db2.gz FPJYWWGGMQLOMN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1=O ZINC000178753992 352083954 /nfs/dbraw/zinc/08/39/54/352083954.db2.gz ZUIMQQYGEPWEBZ-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CCN(CCC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000179196397 352088535 /nfs/dbraw/zinc/08/85/35/352088535.db2.gz YVYCHFNKRHQFFE-GFCCVEGCSA-N 1 3 256.394 -0.180 20 0 CBADHO CN(C)CCNC(=O)CCCC(=O)NCC[NH+](C)C ZINC000192460719 352197112 /nfs/dbraw/zinc/19/71/12/352197112.db2.gz ZIIIMFFJOPGBTL-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CN1CC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000227186943 352255669 /nfs/dbraw/zinc/25/56/69/352255669.db2.gz GBKRXNILBLYZMU-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO CC[N@H+](CCNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000226397966 352252085 /nfs/dbraw/zinc/25/20/85/352252085.db2.gz PTTQQPIGXTWLAT-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+](CCNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000226397966 352252088 /nfs/dbraw/zinc/25/20/88/352252088.db2.gz PTTQQPIGXTWLAT-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO CNC(=O)CC[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000234352755 352282146 /nfs/dbraw/zinc/28/21/46/352282146.db2.gz BQXITJCMPVHTQF-KBPBESRZSA-N 1 3 279.384 -0.015 20 0 CBADHO CNC(=O)CC[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000234352755 352282149 /nfs/dbraw/zinc/28/21/49/352282149.db2.gz BQXITJCMPVHTQF-KBPBESRZSA-N 1 3 279.384 -0.015 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236681917 352291967 /nfs/dbraw/zinc/29/19/67/352291967.db2.gz UDAZOJIVMCXEFZ-LBPRGKRZSA-N 1 3 256.394 -0.229 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000237502292 352305794 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CC[C@@H]1CN(CCC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251881983 352376558 /nfs/dbraw/zinc/37/65/58/352376558.db2.gz VGMDWMVLHGDFNZ-NXEZZACHSA-N 1 3 256.350 -0.109 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252580373 352378128 /nfs/dbraw/zinc/37/81/28/352378128.db2.gz QBFASUNBUKHKGP-GRYCIOLGSA-N 1 3 255.362 -0.348 20 0 CBADHO C[NH2+]CCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252556268 352378168 /nfs/dbraw/zinc/37/81/68/352378168.db2.gz STQPLQXNOYTTFU-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252539410 352378235 /nfs/dbraw/zinc/37/82/35/352378235.db2.gz BNXRJKWPXBCNNV-TUAOUCFPSA-N 1 3 255.362 -0.051 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252644486 352378253 /nfs/dbraw/zinc/37/82/53/352378253.db2.gz ORVOPKSZSDOTDX-SDDRHHMPSA-N 1 3 255.362 -0.179 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]2CCCN2C)CC[NH2+]C1 ZINC000261578423 352389282 /nfs/dbraw/zinc/38/92/82/352389282.db2.gz 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353231743 /nfs/dbraw/zinc/23/17/43/353231743.db2.gz XNYVNEZAHAXVKZ-GHMZBOCLSA-N 1 3 271.361 -0.181 20 0 CBADHO CC[N@H+](CCNC(=O)[C@@H](N)CCC(=O)OC)C1CC1 ZINC000342767009 353231765 /nfs/dbraw/zinc/23/17/65/353231765.db2.gz ZQDVKAPTYHUQCO-NSHDSACASA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@@H+](CCNC(=O)[C@@H](N)CCC(=O)OC)C1CC1 ZINC000342767009 353231767 /nfs/dbraw/zinc/23/17/67/353231767.db2.gz ZQDVKAPTYHUQCO-NSHDSACASA-N 1 3 271.361 -0.133 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CCC(=O)OC ZINC000342646354 353225372 /nfs/dbraw/zinc/22/53/72/353225372.db2.gz GMZXPTJCRHFXRY-JTQLQIEISA-N 1 3 259.350 -0.275 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CCC(=O)OC ZINC000342695882 353227857 /nfs/dbraw/zinc/22/78/57/353227857.db2.gz GLOPRDBWGOOILP-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CCC(=O)OC ZINC000342695882 353227860 /nfs/dbraw/zinc/22/78/60/353227860.db2.gz GLOPRDBWGOOILP-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342695931 353228208 /nfs/dbraw/zinc/22/82/08/353228208.db2.gz GXMHMZMXYLDZHK-QWRGUYRKSA-N 1 3 287.360 -0.896 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343130513 353255143 /nfs/dbraw/zinc/25/51/43/353255143.db2.gz PLLPQOBWAPIXFO-KGLIPLIRSA-N 1 3 282.432 -0.062 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343130513 353255146 /nfs/dbraw/zinc/25/51/46/353255146.db2.gz PLLPQOBWAPIXFO-KGLIPLIRSA-N 1 3 282.432 -0.062 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343179485 353257968 /nfs/dbraw/zinc/25/79/68/353257968.db2.gz LAQNBLKOJONMQF-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343179485 353257971 /nfs/dbraw/zinc/25/79/71/353257971.db2.gz LAQNBLKOJONMQF-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@H]1CC2(CN1CCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331698118 290363778 /nfs/dbraw/zinc/36/37/78/290363778.db2.gz 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/nfs/dbraw/zinc/26/13/37/353261337.db2.gz QDUYLTATXLPZFM-CHWSQXEVSA-N 1 3 266.389 -0.556 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245342 353261505 /nfs/dbraw/zinc/26/15/05/353261505.db2.gz CCEPONGOZFKMCZ-OCCSQVGLSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245342 353261507 /nfs/dbraw/zinc/26/15/07/353261507.db2.gz CCEPONGOZFKMCZ-OCCSQVGLSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245339 353261715 /nfs/dbraw/zinc/26/17/15/353261715.db2.gz CCEPONGOZFKMCZ-GXTWGEPZSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245339 353261718 /nfs/dbraw/zinc/26/17/18/353261718.db2.gz CCEPONGOZFKMCZ-GXTWGEPZSA-N 1 3 280.416 -0.025 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000188183528 137655835 /nfs/dbraw/zinc/65/58/35/137655835.db2.gz MNBHTEWEWPTOSW-SECBINFHSA-N 1 3 263.345 -0.215 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@@H+]1C ZINC000343298060 353264763 /nfs/dbraw/zinc/26/47/63/353264763.db2.gz NHJPMSDFJBRVFE-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@H+]1C ZINC000343298060 353264765 /nfs/dbraw/zinc/26/47/65/353264765.db2.gz NHJPMSDFJBRVFE-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343312859 353266858 /nfs/dbraw/zinc/26/68/58/353266858.db2.gz QWAXRYVKHWKABN-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343312859 353266860 /nfs/dbraw/zinc/26/68/60/353266860.db2.gz QWAXRYVKHWKABN-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(C)CCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766197 353290162 /nfs/dbraw/zinc/29/01/62/353290162.db2.gz DFJMLBVEFPDZOV-YOGCLGLASA-N 1 3 267.373 -0.131 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000343863180 353295356 /nfs/dbraw/zinc/29/53/56/353295356.db2.gz OTINSDMVTGDCSK-UWVGGRQHSA-N 1 3 257.334 -0.571 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000156752406 188280068 /nfs/dbraw/zinc/28/00/68/188280068.db2.gz NOZYZSMMIIIDEG-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000345717509 353344808 /nfs/dbraw/zinc/34/48/08/353344808.db2.gz OERAOVVMZLLBQB-RKDXNWHRSA-N 1 3 265.304 -0.194 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536692 353382282 /nfs/dbraw/zinc/38/22/82/353382282.db2.gz TXOOOBMLRVRDBN-AAEUAGOBSA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@@H+]1C ZINC000347993779 353404110 /nfs/dbraw/zinc/40/41/10/353404110.db2.gz BTDPZLCLHXQGMZ-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@H+]1C ZINC000347993779 353404112 /nfs/dbraw/zinc/40/41/12/353404112.db2.gz BTDPZLCLHXQGMZ-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348991363 353442917 /nfs/dbraw/zinc/44/29/17/353442917.db2.gz GMXYIDWAVGPONI-LLVKDONJSA-N 1 3 271.361 -0.798 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000351560097 353476080 /nfs/dbraw/zinc/47/60/80/353476080.db2.gz WBWGTAAUUJRXPC-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000351560099 353476088 /nfs/dbraw/zinc/47/60/88/353476088.db2.gz WBWGTAAUUJRXPC-UPJWGTAASA-N 1 3 296.415 -0.204 20 0 CBADHO CO[C@@H](CN)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353441990 353532103 /nfs/dbraw/zinc/53/21/03/353532103.db2.gz GBTNOXLAWNUNQE-YPMHNXCESA-N 1 3 287.404 -0.489 20 0 CBADHO CN1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354721126 353580230 /nfs/dbraw/zinc/58/02/30/353580230.db2.gz VWYPUZZDASRAQS-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000357249348 353602589 /nfs/dbraw/zinc/60/25/89/353602589.db2.gz SEIMIBBCWPACAT-KGLIPLIRSA-N 1 3 298.431 -0.635 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358504446 353648395 /nfs/dbraw/zinc/64/83/95/353648395.db2.gz ROESMUNFMNSARP-JQWIXIFHSA-N 1 3 258.366 -0.698 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCSC1 ZINC000357927636 353614961 /nfs/dbraw/zinc/61/49/61/353614961.db2.gz LPBAGFVWOHHGKF-SCVCMEIPSA-N 1 3 273.402 -0.737 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C1 ZINC000361710736 353663698 /nfs/dbraw/zinc/66/36/98/353663698.db2.gz LYIKCFLSELIPDW-KBPBESRZSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448772 353666711 /nfs/dbraw/zinc/66/67/11/353666711.db2.gz SHHKOBDHBUFJHK-KBPBESRZSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448772 353666714 /nfs/dbraw/zinc/66/67/14/353666714.db2.gz SHHKOBDHBUFJHK-KBPBESRZSA-N 1 3 282.432 -0.062 20 0 CBADHO O[C@H]1CN(CCOCC[N@@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000368793612 353686902 /nfs/dbraw/zinc/68/69/02/353686902.db2.gz YHRWRJYJANWEPP-KBPBESRZSA-N 1 3 296.411 -0.084 20 0 CBADHO O[C@H]1CN(CCOCC[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000368793612 353686903 /nfs/dbraw/zinc/68/69/03/353686903.db2.gz YHRWRJYJANWEPP-KBPBESRZSA-N 1 3 296.411 -0.084 20 0 CBADHO C[NH+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372366731 353715991 /nfs/dbraw/zinc/71/59/91/353715991.db2.gz CBTSXUVMBRSOAC-VXGBXAGGSA-N 1 3 270.377 -0.290 20 0 CBADHO C[C@@](C[NH3+])(NC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000372571425 353719222 /nfs/dbraw/zinc/71/92/22/353719222.db2.gz MSGHJUCPNFOPMB-ZDUSSCGKSA-N 1 3 263.345 -0.087 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1CNCCO1 ZINC000375071349 353753595 /nfs/dbraw/zinc/75/35/95/353753595.db2.gz NREOWDKWULPMAY-GARJFASQSA-N 1 3 259.325 -0.477 20 0 CBADHO C[C@@H](O)COC(=O)CC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000375627730 353765161 /nfs/dbraw/zinc/76/51/61/353765161.db2.gz KKYQIMXYSNEXOT-UTUOFQBUSA-N 1 3 256.346 -0.206 20 0 CBADHO C[C@@H](O)COC(=O)CC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000375627730 353765163 /nfs/dbraw/zinc/76/51/63/353765163.db2.gz KKYQIMXYSNEXOT-UTUOFQBUSA-N 1 3 256.346 -0.206 20 0 CBADHO CCC[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376156786 353771713 /nfs/dbraw/zinc/77/17/13/353771713.db2.gz OIJPSQKXFRQBPE-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO CCC[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376156780 353772274 /nfs/dbraw/zinc/77/22/74/353772274.db2.gz OIJPSQKXFRQBPE-NEPJUHHUSA-N 1 3 254.378 -0.380 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000400151965 353799790 /nfs/dbraw/zinc/79/97/90/353799790.db2.gz BWMBSXILQDQXSM-GARJFASQSA-N 1 3 261.391 -0.263 20 0 CBADHO CN1CCN(C)[C@H](CNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000388525285 353789622 /nfs/dbraw/zinc/78/96/22/353789622.db2.gz VMQJDUSPRGHYBQ-KGLIPLIRSA-N 1 3 270.421 -0.723 20 0 CBADHO CN1CCN(C)[C@H](CNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388525285 353789625 /nfs/dbraw/zinc/78/96/25/353789625.db2.gz VMQJDUSPRGHYBQ-KGLIPLIRSA-N 1 3 270.421 -0.723 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CN(C)CCN1C)C1CC1 ZINC000388525285 353789627 /nfs/dbraw/zinc/78/96/27/353789627.db2.gz VMQJDUSPRGHYBQ-KGLIPLIRSA-N 1 3 270.421 -0.723 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417443821 353977414 /nfs/dbraw/zinc/97/74/14/353977414.db2.gz AZZZUQNESUFRJH-NWDGAFQWSA-N 1 3 272.393 -0.057 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417442541 353977726 /nfs/dbraw/zinc/97/77/26/353977726.db2.gz VAMXFOBKNDYTIY-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417442541 353977730 /nfs/dbraw/zinc/97/77/30/353977730.db2.gz VAMXFOBKNDYTIY-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N2CCN[C@H](C)C2)C1 ZINC000417700713 353980600 /nfs/dbraw/zinc/98/06/00/353980600.db2.gz HGCZPNIXVZJROQ-VXGBXAGGSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN[C@H](C)C2)C1 ZINC000417700713 353980603 /nfs/dbraw/zinc/98/06/03/353980603.db2.gz HGCZPNIXVZJROQ-VXGBXAGGSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN[C@H](C)C2)C1 ZINC000417700713 353980606 /nfs/dbraw/zinc/98/06/06/353980606.db2.gz HGCZPNIXVZJROQ-VXGBXAGGSA-N 1 3 270.377 -0.290 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417698947 353980663 /nfs/dbraw/zinc/98/06/63/353980663.db2.gz FJTARZOMMCDWDS-VXGBXAGGSA-N 1 3 270.377 -0.256 20 0 CBADHO CN(CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000417622919 353980981 /nfs/dbraw/zinc/98/09/81/353980981.db2.gz IANDXEXVDVQSFF-PHIMTYICSA-N 1 3 252.362 -0.059 20 0 CBADHO CN(CCNC(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000417631224 353981230 /nfs/dbraw/zinc/98/12/30/353981230.db2.gz VRNXYYUQYXJHGR-UHFFFAOYSA-N 1 3 283.420 -0.325 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417698944 353981316 /nfs/dbraw/zinc/98/13/16/353981316.db2.gz FJTARZOMMCDWDS-NEPJUHHUSA-N 1 3 270.377 -0.256 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812531 353982963 /nfs/dbraw/zinc/98/29/63/353982963.db2.gz OLXDRPCIOUIQES-NEPJUHHUSA-N 1 3 254.378 -0.604 20 0 CBADHO C[C@H]1CCN[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817641 353983225 /nfs/dbraw/zinc/98/32/25/353983225.db2.gz VFATUMFIHASLET-QWHCGFSZSA-N 1 3 268.405 -0.214 20 0 CBADHO C[NH2+]CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000417812386 353983557 /nfs/dbraw/zinc/98/35/57/353983557.db2.gz FEXVOOIYKAQTTL-NSHDSACASA-N 1 3 260.407 -0.058 20 0 CBADHO CC1(C)CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCN1 ZINC000417847737 353985003 /nfs/dbraw/zinc/98/50/03/353985003.db2.gz ZOZMDGAGLNAIEJ-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418114796 353987654 /nfs/dbraw/zinc/98/76/54/353987654.db2.gz MRPMUOVTETYWGP-ZDUSSCGKSA-N 1 3 284.404 -0.034 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418293884 353991081 /nfs/dbraw/zinc/99/10/81/353991081.db2.gz GFCQAQMLADKTJK-UHFFFAOYSA-N 1 3 285.392 -0.859 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CNCCO1 ZINC000418442478 353997678 /nfs/dbraw/zinc/99/76/78/353997678.db2.gz NAFBPVGQAAFTAD-GHMZBOCLSA-N 1 3 258.366 -0.353 20 0 CBADHO C[NH2+]CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418320911 353994065 /nfs/dbraw/zinc/99/40/65/353994065.db2.gz WZYFLTRUGQTPCW-GFCCVEGCSA-N 1 3 272.393 -0.402 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418365189 353994603 /nfs/dbraw/zinc/99/46/03/353994603.db2.gz DVHSLPBZLRCMCL-CHWSQXEVSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CCC[NH2+]C1 ZINC000418379891 353995787 /nfs/dbraw/zinc/99/57/87/353995787.db2.gz JJTNCANVQJSSME-OLZOCXBDSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCCN1CCO ZINC000418379735 353996240 /nfs/dbraw/zinc/99/62/40/353996240.db2.gz WGNQEGUSKLZOGQ-STQMWFEESA-N 1 3 284.404 -0.116 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419233484 354040520 /nfs/dbraw/zinc/04/05/20/354040520.db2.gz HDDYKPSAZLSIDK-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492075 353999417 /nfs/dbraw/zinc/99/94/17/353999417.db2.gz PCJLBYVXYSOZEY-NSHDSACASA-N 1 3 260.382 -0.199 20 0 CBADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418665801 354005071 /nfs/dbraw/zinc/00/50/71/354005071.db2.gz CUSCQYIRLLLGIW-WUHRBBMRSA-N 1 3 282.388 -0.650 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418677698 354005105 /nfs/dbraw/zinc/00/51/05/354005105.db2.gz VBNULSOAGVSMKG-MQYQWHSLSA-N 1 3 296.415 -0.404 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418667844 354005320 /nfs/dbraw/zinc/00/53/20/354005320.db2.gz HALPZXJWPUQWSB-GDNZZTSVSA-N 1 3 252.362 -0.060 20 0 CBADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@H](C)[NH3+] ZINC000418704306 354006100 /nfs/dbraw/zinc/00/61/00/354006100.db2.gz RIFRPFHUSHXTCO-VHSXEESVSA-N 1 3 251.334 -0.050 20 0 CBADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CNCCO1 ZINC000418755177 354007344 /nfs/dbraw/zinc/00/73/44/354007344.db2.gz BSPGWPGLPSNPKO-LBPRGKRZSA-N 1 3 279.344 -0.797 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@H](C)CN1 ZINC000418767190 354008015 /nfs/dbraw/zinc/00/80/15/354008015.db2.gz NTDJORGUAPYEFT-GMTAPVOTSA-N 1 3 256.350 -0.633 20 0 CBADHO CCN1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418771377 354008856 /nfs/dbraw/zinc/00/88/56/354008856.db2.gz VPUBNUMHAXJVPZ-ZDUSSCGKSA-N 1 3 283.420 -0.373 20 0 CBADHO CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000418827202 354010582 /nfs/dbraw/zinc/01/05/82/354010582.db2.gz DHEMLEJZQZVKFL-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419020837 354024531 /nfs/dbraw/zinc/02/45/31/354024531.db2.gz GETPWUUZGUZQNH-RWMBFGLXSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032410 354025111 /nfs/dbraw/zinc/02/51/11/354025111.db2.gz WMQLSZWONGXIHN-XQQFMLRXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029680 354025347 /nfs/dbraw/zinc/02/53/47/354025347.db2.gz RTXLPUFYMNGGJM-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032919 354026270 /nfs/dbraw/zinc/02/62/70/354026270.db2.gz XPXVZSCFEAXUMU-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419283310 354043063 /nfs/dbraw/zinc/04/30/63/354043063.db2.gz JPUOOONRIHQWAL-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419100691 354028171 /nfs/dbraw/zinc/02/81/71/354028171.db2.gz JEJTVSHUFSUVIU-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419105892 354028821 /nfs/dbraw/zinc/02/88/21/354028821.db2.gz OCRIHAQHVZYWGL-JTQLQIEISA-N 1 3 268.361 -0.854 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419114445 354029386 /nfs/dbraw/zinc/02/93/86/354029386.db2.gz XGSVETBRJSFFBG-NSHDSACASA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN(C(=O)C(=O)NCCN(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000419113947 354029424 /nfs/dbraw/zinc/02/94/24/354029424.db2.gz WTMVVRGVPDTHEG-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419283582 354043259 /nfs/dbraw/zinc/04/32/59/354043259.db2.gz JQFMDIGHVDMHKR-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])N1CCC(C)CC1 ZINC000419142933 354031431 /nfs/dbraw/zinc/03/14/31/354031431.db2.gz CUZQKDRTJBXGBX-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419147157 354032668 /nfs/dbraw/zinc/03/26/68/354032668.db2.gz BRJHIJBABQVDGE-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000419159498 354033747 /nfs/dbraw/zinc/03/37/47/354033747.db2.gz ZIUJQFPLIACHAX-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1CN ZINC000419159497 354034283 /nfs/dbraw/zinc/03/42/83/354034283.db2.gz ZIUJQFPLIACHAX-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419576284 354062214 /nfs/dbraw/zinc/06/22/14/354062214.db2.gz BVXRYKWXXRDFEO-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419577372 354064257 /nfs/dbraw/zinc/06/42/57/354064257.db2.gz CYVCPKRDYVBXMC-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N(C)C1CC1 ZINC000419596387 354065221 /nfs/dbraw/zinc/06/52/21/354065221.db2.gz YAVQXBFWMQSICM-SKDRFNHKSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419662949 354068188 /nfs/dbraw/zinc/06/81/88/354068188.db2.gz ISUYTUNDIAVHOJ-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419696913 354070388 /nfs/dbraw/zinc/07/03/88/354070388.db2.gz PSIKXMVIAFDAEQ-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419696913 354070391 /nfs/dbraw/zinc/07/03/91/354070391.db2.gz PSIKXMVIAFDAEQ-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419716101 354071516 /nfs/dbraw/zinc/07/15/16/354071516.db2.gz QCUHZDDPWQVXHW-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419718039 354071961 /nfs/dbraw/zinc/07/19/61/354071961.db2.gz AKEUQKZFVAGRJB-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419718384 354072185 /nfs/dbraw/zinc/07/21/85/354072185.db2.gz ATVZDNUHNFQGIB-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419733009 354073797 /nfs/dbraw/zinc/07/37/97/354073797.db2.gz NNHIRUGXGYFVQO-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419736769 354073864 /nfs/dbraw/zinc/07/38/64/354073864.db2.gz SFICDXOIPRTRKT-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419739849 354074916 /nfs/dbraw/zinc/07/49/16/354074916.db2.gz WVTYPVVOGOUIBE-UHFFFAOYSA-N 1 3 296.415 -0.130 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419765192 354075755 /nfs/dbraw/zinc/07/57/55/354075755.db2.gz QCCYUKISHUFXHV-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419785073 354077366 /nfs/dbraw/zinc/07/73/66/354077366.db2.gz YHBMNFHIWDOZPU-NWDGAFQWSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419782602 354077510 /nfs/dbraw/zinc/07/75/10/354077510.db2.gz UJYHIMXZJOKCKB-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813590 354079396 /nfs/dbraw/zinc/07/93/96/354079396.db2.gz GXYLLDKYOKQFQU-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC[NH3+] ZINC000419823340 354080444 /nfs/dbraw/zinc/08/04/44/354080444.db2.gz XXRROZBDJIMJOX-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419837445 354082198 /nfs/dbraw/zinc/08/21/98/354082198.db2.gz MCUCUIXFXGQDQK-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419284244 354043711 /nfs/dbraw/zinc/04/37/11/354043711.db2.gz KWFRVVOIUJZPLI-UHFFFAOYSA-N 1 3 258.366 -0.701 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403018 354051396 /nfs/dbraw/zinc/05/13/96/354051396.db2.gz CZICLSGIMZUWIH-ZDUSSCGKSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419414704 354052293 /nfs/dbraw/zinc/05/22/93/354052293.db2.gz UHVHOPVOHVVDJF-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419408898 354052447 /nfs/dbraw/zinc/05/24/47/354052447.db2.gz MKVIFXNCBDHEDL-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419411506 354052653 /nfs/dbraw/zinc/05/26/53/354052653.db2.gz PWQFNLNLEIKKGS-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419416531 354053676 /nfs/dbraw/zinc/05/36/76/354053676.db2.gz WGRMIDGMXLZQHY-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419417658 354053742 /nfs/dbraw/zinc/05/37/42/354053742.db2.gz XKNJNTNCHILCGJ-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419416539 354053828 /nfs/dbraw/zinc/05/38/28/354053828.db2.gz WHJSYLZLBIQXQJ-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCN)C1 ZINC000419423442 354053832 /nfs/dbraw/zinc/05/38/32/354053832.db2.gz NJFLYWHGTJSUCV-RYUDHWBXSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCN)C1 ZINC000419474092 354055817 /nfs/dbraw/zinc/05/58/17/354055817.db2.gz BMMMIESPCVYNIQ-BETUJISGSA-N 1 3 298.431 -0.064 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCCN)C1 ZINC000419474092 354055821 /nfs/dbraw/zinc/05/58/21/354055821.db2.gz BMMMIESPCVYNIQ-BETUJISGSA-N 1 3 298.431 -0.064 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419529425 354058236 /nfs/dbraw/zinc/05/82/36/354058236.db2.gz XRYNHUOSIZQIDL-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419527431 354058477 /nfs/dbraw/zinc/05/84/77/354058477.db2.gz VBDJLYINHRQTJC-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1CC1 ZINC000419529391 354058548 /nfs/dbraw/zinc/05/85/48/354058548.db2.gz XNARMHLGNZRBQG-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419527548 354058810 /nfs/dbraw/zinc/05/88/10/354058810.db2.gz VJFBUZSWQSIFSJ-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000419872389 354087667 /nfs/dbraw/zinc/08/76/67/354087667.db2.gz LOBKJZZVCOZBNG-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](NC(=O)C(=O)N(C)CCN)C(C)(C)C[NH+](C)C ZINC000419549742 354059872 /nfs/dbraw/zinc/05/98/72/354059872.db2.gz UEZYDPBCEYUFEO-JTQLQIEISA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)C(C)(C)C[NH+](C)C ZINC000419548526 354059884 /nfs/dbraw/zinc/05/98/84/354059884.db2.gz RLYZUGQXTVKOCO-CMPLNLGQSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)(C)C[NH+](C)C ZINC000419548530 354060294 /nfs/dbraw/zinc/06/02/94/354060294.db2.gz RLYZUGQXTVKOCO-PWSUYJOCSA-N 1 3 298.431 -0.068 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419903781 354092052 /nfs/dbraw/zinc/09/20/52/354092052.db2.gz WXCUZGAQQNSYMT-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000419927456 354094395 /nfs/dbraw/zinc/09/43/95/354094395.db2.gz CSHWODFTCOHOHS-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419961052 354097288 /nfs/dbraw/zinc/09/72/88/354097288.db2.gz SWNQKVUGBKXCLP-UPJWGTAASA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000420008118 354101953 /nfs/dbraw/zinc/10/19/53/354101953.db2.gz UBVRIBVVPXZVGA-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N1CCC[C@H](C)C1 ZINC000420020998 354102679 /nfs/dbraw/zinc/10/26/79/354102679.db2.gz GRGPEWNTXIFGKK-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CN ZINC000420016988 354102736 /nfs/dbraw/zinc/10/27/36/354102736.db2.gz ULKBQOLKTSYIQA-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420018371 354103176 /nfs/dbraw/zinc/10/31/76/354103176.db2.gz XUUOQITVLQLBSH-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420018371 354103180 /nfs/dbraw/zinc/10/31/80/354103180.db2.gz XUUOQITVLQLBSH-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420024957 354103909 /nfs/dbraw/zinc/10/39/09/354103909.db2.gz ASDVTTHLQVWQKR-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420028344 354104363 /nfs/dbraw/zinc/10/43/63/354104363.db2.gz MGHZUXLWPIBHNR-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC1 ZINC000420060461 354106148 /nfs/dbraw/zinc/10/61/48/354106148.db2.gz KPEUCVVPQMEHNC-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420071952 354107458 /nfs/dbraw/zinc/10/74/58/354107458.db2.gz YOSCHOORRVBSBV-LBPRGKRZSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092905 354108410 /nfs/dbraw/zinc/10/84/10/354108410.db2.gz OVDBTRUEKJSPQD-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(CC[C@H]1CCC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000420270832 354120804 /nfs/dbraw/zinc/12/08/04/354120804.db2.gz JPJKKFWGIJPGIA-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO COC(=O)CN(C)C(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000420301187 354121881 /nfs/dbraw/zinc/12/18/81/354121881.db2.gz ILWHHGUNCSTWDA-ZDUSSCGKSA-N 1 3 273.377 -0.029 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C1(C[NH3+])CCC1 ZINC000420336009 354124166 /nfs/dbraw/zinc/12/41/66/354124166.db2.gz VIBQZKAEKSRXJP-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)C1(CN)CCC1 ZINC000420336009 354124167 /nfs/dbraw/zinc/12/41/67/354124167.db2.gz VIBQZKAEKSRXJP-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)C1(CN)CCC1 ZINC000420336009 354124171 /nfs/dbraw/zinc/12/41/71/354124171.db2.gz VIBQZKAEKSRXJP-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000423214022 354165565 /nfs/dbraw/zinc/16/55/65/354165565.db2.gz ODIQBPFKAMKIJH-GFCCVEGCSA-N 1 3 282.388 -0.639 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000423208389 354165771 /nfs/dbraw/zinc/16/57/71/354165771.db2.gz HUULRUNRWPFCED-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423494733 354177773 /nfs/dbraw/zinc/17/77/73/354177773.db2.gz DIFRSIFLMJUQIC-LLVKDONJSA-N 1 3 270.377 -0.655 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423383461 354173709 /nfs/dbraw/zinc/17/37/09/354173709.db2.gz FFKDHABMTOOAQL-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000422966751 354158309 /nfs/dbraw/zinc/15/83/09/354158309.db2.gz ANJDKRYEKUMKOQ-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422961635 354158325 /nfs/dbraw/zinc/15/83/25/354158325.db2.gz CPJAOUSKMQCGQS-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422975809 354158704 /nfs/dbraw/zinc/15/87/04/354158704.db2.gz UEZJZAHCZSXFNV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423592099 354182349 /nfs/dbraw/zinc/18/23/49/354182349.db2.gz DCECCMQLHTUOQJ-NSHDSACASA-N 1 3 270.377 -0.783 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000423625977 354186444 /nfs/dbraw/zinc/18/64/44/354186444.db2.gz RVIWNDUMMTVZTG-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000423638374 354187911 /nfs/dbraw/zinc/18/79/11/354187911.db2.gz DPNMJFBCIWYNPY-UTUOFQBUSA-N 1 3 282.388 -0.655 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000423716162 354193147 /nfs/dbraw/zinc/19/31/47/354193147.db2.gz IASDAMKCUSBIRY-RYUDHWBXSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1[NH3+] ZINC000423982619 354206075 /nfs/dbraw/zinc/20/60/75/354206075.db2.gz RTSHTXLXHATBSA-GRYCIOLGSA-N 1 3 282.388 -0.798 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC1=O ZINC000423941846 354206208 /nfs/dbraw/zinc/20/62/08/354206208.db2.gz DFBAQGFLJYHSNE-OLZOCXBDSA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1[NH3+] ZINC000423982620 354206336 /nfs/dbraw/zinc/20/63/36/354206336.db2.gz RTSHTXLXHATBSA-IJLUTSLNSA-N 1 3 282.388 -0.798 20 0 CBADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000424061316 354208175 /nfs/dbraw/zinc/20/81/75/354208175.db2.gz SCIOMRZRIPMWIT-WDEREUQCSA-N 1 3 261.329 -0.223 20 0 CBADHO C[C@@H]1CCN(C(=O)C2(N)CCOCC2)C[C@@H]1C[NH3+] ZINC000424187744 354216809 /nfs/dbraw/zinc/21/68/09/354216809.db2.gz BGMUQISAOSOCTI-MNOVXSKESA-N 1 3 255.362 -0.062 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)CN1CCN(C)CC1 ZINC000431016190 354251468 /nfs/dbraw/zinc/25/14/68/354251468.db2.gz YVUMLOZCEFMTFX-ZIAGYGMSSA-N 1 3 298.431 -0.635 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431059626 354251854 /nfs/dbraw/zinc/25/18/54/354251854.db2.gz WMCUNCMDQSWEJI-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO CS(=O)(=O)NCCN1CCC2(CC[NH2+]C2)CC1 ZINC000431025275 354251901 /nfs/dbraw/zinc/25/19/01/354251901.db2.gz YFGGDVHAZQZWQA-UHFFFAOYSA-N 1 3 261.391 -0.389 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444174196 354263327 /nfs/dbraw/zinc/26/33/27/354263327.db2.gz GAJYCJGIGABFKZ-GFCCVEGCSA-N 1 3 280.372 -0.885 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C3(N)CCCC3)C[C@H]2[NH3+])cn1 ZINC000424237802 354221149 /nfs/dbraw/zinc/22/11/49/354221149.db2.gz MLUSVHHTTOXHAR-NWDGAFQWSA-N 1 3 277.372 -0.055 20 0 CBADHO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424289212 354222710 /nfs/dbraw/zinc/22/27/10/354222710.db2.gz BQEUUVQFCAQZKA-GMTAPVOTSA-N 1 3 286.376 -0.293 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000447435654 354298459 /nfs/dbraw/zinc/29/84/59/354298459.db2.gz QCJHSCTUCUNCJH-QWRGUYRKSA-N 1 3 259.350 -0.813 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749895 354321733 /nfs/dbraw/zinc/32/17/33/354321733.db2.gz HDTWULNYJYGZGB-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000459901013 354392824 /nfs/dbraw/zinc/39/28/24/354392824.db2.gz TUXMQUMHCNNZIQ-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)CCOCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000471643689 354401231 /nfs/dbraw/zinc/40/12/31/354401231.db2.gz KFAFXLJKIKYDOT-CYBMUJFWSA-N 1 3 290.408 -0.824 20 0 CBADHO CN(C)C/C=C/C(=O)NCCCNC(=O)/C=C\C[NH+](C)C ZINC000492916246 354484969 /nfs/dbraw/zinc/48/49/69/354484969.db2.gz AMABWDRDAFHZLN-LDFAFZTOSA-N 1 3 296.415 -0.156 20 0 CBADHO CN(C)C/C=C\C(=O)NCCCNC(=O)/C=C/C[NH+](C)C ZINC000492916246 354484973 /nfs/dbraw/zinc/48/49/73/354484973.db2.gz AMABWDRDAFHZLN-LDFAFZTOSA-N 1 3 296.415 -0.156 20 0 CBADHO COCCN1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491904847 354462171 /nfs/dbraw/zinc/46/21/71/354462171.db2.gz LAMZGWBBHOAXLP-ITKZLYELSA-N 1 3 255.362 -0.059 20 0 CBADHO COCCN1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491904849 354462486 /nfs/dbraw/zinc/46/24/86/354462486.db2.gz LAMZGWBBHOAXLP-RXNFCKPNSA-N 1 3 255.362 -0.059 20 0 CBADHO C[C@@H](NC(=O)/C=C/C[NH+](C)C)C(=O)NCCN(C)C ZINC000493172475 354489389 /nfs/dbraw/zinc/48/93/89/354489389.db2.gz QVTMZOMIQQTKDI-XUIVZRPNSA-N 1 3 270.377 -0.713 20 0 CBADHO C[C@H](NC(=O)/C=C\C[NH+](C)C)C(=O)NCCN(C)C ZINC000493172476 354489843 /nfs/dbraw/zinc/48/98/43/354489843.db2.gz QVTMZOMIQQTKDI-ZADCQDASSA-N 1 3 270.377 -0.713 20 0 CBADHO CC(C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)S(C)(=O)=O ZINC000515165484 354555776 /nfs/dbraw/zinc/55/57/76/354555776.db2.gz LPVWZQREAZFFDE-LPEHRKFASA-N 1 3 260.359 -0.370 20 0 CBADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000535715296 354602275 /nfs/dbraw/zinc/60/22/75/354602275.db2.gz JXPLZVLJNYBKRU-UKRRQHHQSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000535715296 354602279 /nfs/dbraw/zinc/60/22/79/354602279.db2.gz JXPLZVLJNYBKRU-UKRRQHHQSA-N 1 3 292.427 -0.023 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000519548879 354563890 /nfs/dbraw/zinc/56/38/90/354563890.db2.gz MWJJPCOUFHHCEY-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[NH+](CC)CCCNC[C@@H](O)CN1CCN(C)CC1 ZINC000519601124 354564329 /nfs/dbraw/zinc/56/43/29/354564329.db2.gz ZWQZHDNJLQBTRD-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)C1CC1 ZINC000534266060 354595977 /nfs/dbraw/zinc/59/59/77/354595977.db2.gz GGRNFZVKNHOWTA-UONOGXRCSA-N 1 3 280.416 -0.167 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCCC1 ZINC000534268715 354596728 /nfs/dbraw/zinc/59/67/28/354596728.db2.gz UJRIBIUTYPJBIJ-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843212 354551395 /nfs/dbraw/zinc/55/13/95/354551395.db2.gz AFSUUMCUCRGPCN-ZWNOBZJWSA-N 1 3 291.392 -0.568 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590489 354653446 /nfs/dbraw/zinc/65/34/46/354653446.db2.gz BXFBFWMGJTWCQE-WFASDCNBSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590489 354653449 /nfs/dbraw/zinc/65/34/49/354653449.db2.gz BXFBFWMGJTWCQE-WFASDCNBSA-N 1 3 296.415 -0.164 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000537567801 354610077 /nfs/dbraw/zinc/61/00/77/354610077.db2.gz YPAAMQCFTRONAG-SOUVJXGZSA-N 1 3 285.432 -0.049 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000562829593 354689226 /nfs/dbraw/zinc/68/92/26/354689226.db2.gz URFYCHDGANKLHW-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CO[C@@H]1CN(CCCC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000563052342 354693409 /nfs/dbraw/zinc/69/34/09/354693409.db2.gz KSQXHLLTZPTPJT-AAVRWANBSA-N 1 3 288.388 -0.850 20 0 CBADHO CO[C@@H]1CN(CCCC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000563052342 354693412 /nfs/dbraw/zinc/69/34/12/354693412.db2.gz KSQXHLLTZPTPJT-AAVRWANBSA-N 1 3 288.388 -0.850 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)COC2CNC2)CC1 ZINC000563075740 354694804 /nfs/dbraw/zinc/69/48/04/354694804.db2.gz PHFAWKBKJSENFG-GFCCVEGCSA-N 1 3 285.388 -0.816 20 0 CBADHO NC(C(=O)N1CCCO[C@@H](C[NH3+])C1)C(F)(F)F ZINC000563112632 354697443 /nfs/dbraw/zinc/69/74/43/354697443.db2.gz HZPODJHLEYWKHL-NKWVEPMBSA-N 1 3 255.240 -0.548 20 0 CBADHO NC(C(=O)N1CCCO[C@H](C[NH3+])C1)C(F)(F)F ZINC000563112633 354697730 /nfs/dbraw/zinc/69/77/30/354697730.db2.gz HZPODJHLEYWKHL-RNFRBKRXSA-N 1 3 255.240 -0.548 20 0 CBADHO COC[C@](C)(CC(=O)OC)NCCN1CC[NH2+]CC1 ZINC000563811772 354706307 /nfs/dbraw/zinc/70/63/07/354706307.db2.gz NQVILSJEJRXMJN-ZDUSSCGKSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCC(C)CC1 ZINC000563946439 354708035 /nfs/dbraw/zinc/70/80/35/354708035.db2.gz HGLDHQKIAZLAFW-NSHDSACASA-N 1 3 282.388 -0.689 20 0 CBADHO N[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956485 354708118 /nfs/dbraw/zinc/70/81/18/354708118.db2.gz SSOMDUOGJMYAFX-QWHCGFSZSA-N 1 3 266.389 -0.380 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563956367 354708259 /nfs/dbraw/zinc/70/82/59/354708259.db2.gz NXDRDWNCZSMAPE-KBPBESRZSA-N 1 3 296.415 -0.739 20 0 CBADHO CN1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](CN)C1 ZINC000564798041 354717383 /nfs/dbraw/zinc/71/73/83/354717383.db2.gz QBSOSIRAJBPMAQ-OTTFEQOBSA-N 1 3 284.404 -0.626 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000564841332 354718634 /nfs/dbraw/zinc/71/86/34/354718634.db2.gz DQSGBCUJPVASCM-OLZOCXBDSA-N 1 3 263.341 -0.339 20 0 CBADHO COCCN(C)CCCNC(=O)COC1CC[NH2+]CC1 ZINC000564910053 354720528 /nfs/dbraw/zinc/72/05/28/354720528.db2.gz VNZJWFYURRXMTH-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932843 354721409 /nfs/dbraw/zinc/72/14/09/354721409.db2.gz JRWASVHVKJXRAG-KBPBESRZSA-N 1 3 296.415 -0.739 20 0 CBADHO [NH3+]CC[C@H](NC(=O)CNC[C@H]1CCCO1)C(F)F ZINC000565891037 354747389 /nfs/dbraw/zinc/74/73/89/354747389.db2.gz HHMIPCPPXOBQIJ-BDAKNGLRSA-N 1 3 265.304 -0.146 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930929 354748432 /nfs/dbraw/zinc/74/84/32/354748432.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930929 354748436 /nfs/dbraw/zinc/74/84/36/354748436.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000565930929 354748441 /nfs/dbraw/zinc/74/84/41/354748441.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000565930929 354748444 /nfs/dbraw/zinc/74/84/44/354748444.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566189637 354756199 /nfs/dbraw/zinc/75/61/99/354756199.db2.gz RVKIKOBZVMJKQT-GRYCIOLGSA-N 1 3 253.346 -0.567 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000567613900 354791412 /nfs/dbraw/zinc/79/14/12/354791412.db2.gz SSUNPSPVUAQLHY-XQHKEYJVSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)O ZINC000566792101 354774674 /nfs/dbraw/zinc/77/46/74/354774674.db2.gz KLVAUBSGPYSZHI-WOPDTQHZSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)O ZINC000566792101 354774675 /nfs/dbraw/zinc/77/46/75/354774675.db2.gz KLVAUBSGPYSZHI-WOPDTQHZSA-N 1 3 257.378 -0.067 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000566858952 354776120 /nfs/dbraw/zinc/77/61/20/354776120.db2.gz JEXURISTIXVKFE-GUBZILKMSA-N 1 3 257.334 -0.524 20 0 CBADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000566859140 354776148 /nfs/dbraw/zinc/77/61/48/354776148.db2.gz NLBVQMYUYGZIJK-MNOVXSKESA-N 1 3 270.377 -0.430 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)CCN1CCN(CC)CC1 ZINC000566916890 354777203 /nfs/dbraw/zinc/77/72/03/354777203.db2.gz CYNQAZWPSZVPSA-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567096266 354780721 /nfs/dbraw/zinc/78/07/21/354780721.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 1 3 295.431 -0.247 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000567111502 354781551 /nfs/dbraw/zinc/78/15/51/354781551.db2.gz CAKBVNUJMLUZHS-GRYCIOLGSA-N 1 3 283.372 -0.181 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567168686 354782500 /nfs/dbraw/zinc/78/25/00/354782500.db2.gz TWZVHSLHNJAVJR-NGZCFLSTSA-N 1 3 258.366 -0.672 20 0 CBADHO C[C@H](NC(=O)C[C@H]1CNCCO1)[C@H]1CCC[NH2+]C1 ZINC000567267811 354784649 /nfs/dbraw/zinc/78/46/49/354784649.db2.gz QCRGFHOKFILCFQ-SRVKXCTJSA-N 1 3 255.362 -0.131 20 0 CBADHO CCC[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+](C)C ZINC000567292422 354785077 /nfs/dbraw/zinc/78/50/77/354785077.db2.gz PROVWMXYNMIUDF-IJLUTSLNSA-N 1 3 282.388 -0.513 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000565302722 354735675 /nfs/dbraw/zinc/73/56/75/354735675.db2.gz NHYQZVJOHWHOPW-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000565373129 354737222 /nfs/dbraw/zinc/73/72/22/354737222.db2.gz NKZFOOOVADLCAL-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO COCC[NH2+]C1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000565487614 354739861 /nfs/dbraw/zinc/73/98/61/354739861.db2.gz YICZLSKOJMKTDH-UHFFFAOYSA-N 1 3 298.431 -0.491 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000565712556 354743975 /nfs/dbraw/zinc/74/39/75/354743975.db2.gz RQVWFKKWZKGHHR-ZDUSSCGKSA-N 1 3 259.394 -0.391 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567817159 354799030 /nfs/dbraw/zinc/79/90/30/354799030.db2.gz UUTWASZUDMCZLK-MNOVXSKESA-N 1 3 253.346 -0.567 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCCCN1CCO)C1CC1 ZINC000567872825 354802017 /nfs/dbraw/zinc/80/20/17/354802017.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@@H](O)CNC[C@H]1CCCCN1CCO)C1CC1 ZINC000567872825 354802018 /nfs/dbraw/zinc/80/20/18/354802018.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC[C@H]1CCCCN1CCO)C1CC1 ZINC000567872825 354802019 /nfs/dbraw/zinc/80/20/19/354802019.db2.gz IBHAWZXRWAWCNR-CABCVRRESA-N 1 3 285.432 -0.122 20 0 CBADHO c1cncc([C@@H]2CNCCN2CCN2CC[NH2+]CC2)c1 ZINC000567889249 354802953 /nfs/dbraw/zinc/80/29/53/354802953.db2.gz FSFGCOJNELDZIQ-HNNXBMFYSA-N 1 3 275.400 -0.067 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567983179 354807115 /nfs/dbraw/zinc/80/71/15/354807115.db2.gz WPKAPSYQGFXCRE-BETUJISGSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)CN1CCN(C)CC1 ZINC000568095065 354810532 /nfs/dbraw/zinc/81/05/32/354810532.db2.gz XSLBHLANEMVKAJ-GUTXKFCHSA-N 1 3 280.416 -0.262 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293820 354821167 /nfs/dbraw/zinc/82/11/67/354821167.db2.gz GCKQQEDUIWQFOG-KGLIPLIRSA-N 1 3 297.447 -0.079 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000568401158 354823334 /nfs/dbraw/zinc/82/33/34/354823334.db2.gz FLBQUAMWIGKDPO-OAHLLOKOSA-N 1 3 298.431 -0.803 20 0 CBADHO C[C@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)CC[NH2+]1 ZINC000568391624 354823606 /nfs/dbraw/zinc/82/36/06/354823606.db2.gz HKUHWRCKJCNLGX-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568750018 354830561 /nfs/dbraw/zinc/83/05/61/354830561.db2.gz RNHXUNLXXQPTME-MGPQQGTHSA-N 1 3 280.416 -0.275 20 0 CBADHO COC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000567689081 354793741 /nfs/dbraw/zinc/79/37/41/354793741.db2.gz BWXZTYXXRJJXRS-MCIONIFRSA-N 1 3 272.389 -0.039 20 0 CBADHO CCOC[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000567694058 354794778 /nfs/dbraw/zinc/79/47/78/354794778.db2.gz GWJABLXLBPPJDZ-CQSZACIVSA-N 1 3 273.421 -0.001 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCCNc1cc[nH+]cc1 ZINC000567786908 354797415 /nfs/dbraw/zinc/79/74/15/354797415.db2.gz UHBHVTAWQLQWPK-LBPRGKRZSA-N 1 3 264.329 -0.590 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000570666011 354867338 /nfs/dbraw/zinc/86/73/38/354867338.db2.gz SKXKQVNUPRVBTN-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570799290 354869462 /nfs/dbraw/zinc/86/94/62/354869462.db2.gz LGQDKBPYYXGIOE-QWRGUYRKSA-N 1 3 260.382 -0.010 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570799289 354869649 /nfs/dbraw/zinc/86/96/49/354869649.db2.gz LGQDKBPYYXGIOE-MNOVXSKESA-N 1 3 260.382 -0.010 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000571047365 354876080 /nfs/dbraw/zinc/87/60/80/354876080.db2.gz VAFLOCMOXHSTNJ-QWHCGFSZSA-N 1 3 268.405 -0.180 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000571678522 354877818 /nfs/dbraw/zinc/87/78/18/354877818.db2.gz RCCQXWDGFWQZLN-GUBZILKMSA-N 1 3 257.334 -0.524 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2C[NH2+]CCO2)C1(C)C ZINC000569240490 354841226 /nfs/dbraw/zinc/84/12/26/354841226.db2.gz DSDNMYDPCGGJSK-JTNHKYCSSA-N 1 3 285.388 -0.377 20 0 CBADHO COCCNC(=O)CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569726356 354845414 /nfs/dbraw/zinc/84/54/14/354845414.db2.gz KYBPBXJAPBSARO-AWEZNQCLSA-N 1 3 298.431 -0.634 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000569821687 354847298 /nfs/dbraw/zinc/84/72/98/354847298.db2.gz IHQZEVWIQLQANE-URBCHYCLSA-N 1 3 284.404 -0.411 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000570426624 354861131 /nfs/dbraw/zinc/86/11/31/354861131.db2.gz KSEXKMZVRKPQNL-NSHDSACASA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC000570424683 354861226 /nfs/dbraw/zinc/86/12/26/354861226.db2.gz GENXVEILAASDBI-GFCCVEGCSA-N 1 3 269.393 -0.635 20 0 CBADHO Cc1nc2n(n1)C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437789 354862054 /nfs/dbraw/zinc/86/20/54/354862054.db2.gz CASAUAQIHQCGSW-AAEUAGOBSA-N 1 3 279.388 -0.054 20 0 CBADHO Cc1nc2n(n1)C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437789 354862055 /nfs/dbraw/zinc/86/20/55/354862055.db2.gz CASAUAQIHQCGSW-AAEUAGOBSA-N 1 3 279.388 -0.054 20 0 CBADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)CN1CCOCC1 ZINC000570444897 354862292 /nfs/dbraw/zinc/86/22/92/354862292.db2.gz ZLFPSKFQGPUTPP-HNNXBMFYSA-N 1 3 283.416 -0.104 20 0 CBADHO C[C@@H](CN(C)C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000570509892 354862850 /nfs/dbraw/zinc/86/28/50/354862850.db2.gz LFBTUADWSQXRHV-STQMWFEESA-N 1 3 258.410 -0.866 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@@H](C)C1 ZINC000570580457 354864933 /nfs/dbraw/zinc/86/49/33/354864933.db2.gz XDUBJHRCGKKYAA-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000570580457 354864935 /nfs/dbraw/zinc/86/49/35/354864935.db2.gz XDUBJHRCGKKYAA-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CNS(=O)(=O)[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000570632618 354866135 /nfs/dbraw/zinc/86/61/35/354866135.db2.gz UXKPXZDDUZMSFU-GFCCVEGCSA-N 1 3 275.418 0.000 20 0 CBADHO C[NH2+]CCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000570630575 354866161 /nfs/dbraw/zinc/86/61/61/354866161.db2.gz BSRXFFKAPPIFTQ-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572134356 354887411 /nfs/dbraw/zinc/88/74/11/354887411.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 1 3 269.393 -0.635 20 0 CBADHO CN1CCN(CC[NH2+]CCC(=O)NC(N)=O)CC1(C)C ZINC000572753081 354897093 /nfs/dbraw/zinc/89/70/93/354897093.db2.gz XBAUCFFBBBQKAK-UHFFFAOYSA-N 1 3 285.392 -0.813 20 0 CBADHO c1cnc(N[C@H]2CCN(CCN3CC[NH2+]CC3)C2)nc1 ZINC000573091740 354905167 /nfs/dbraw/zinc/90/51/67/354905167.db2.gz UEOWWXOHOYCYMR-ZDUSSCGKSA-N 1 3 276.388 -0.132 20 0 CBADHO N[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000573117672 354905694 /nfs/dbraw/zinc/90/56/94/354905694.db2.gz LSZBIHDTJJXMSY-NEPJUHHUSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCCO1 ZINC000573119332 354905743 /nfs/dbraw/zinc/90/57/43/354905743.db2.gz OILDNEXSXPVGBM-NEPJUHHUSA-N 1 3 271.361 -0.669 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573723969 354919587 /nfs/dbraw/zinc/91/95/87/354919587.db2.gz JCRHQOGNYLBGNH-WOPDTQHZSA-N 1 3 284.404 -0.327 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577621386 354938364 /nfs/dbraw/zinc/93/83/64/354938364.db2.gz ARIRHVQDMUXMFW-AWEZNQCLSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H]1C ZINC000578490142 354946361 /nfs/dbraw/zinc/94/63/61/354946361.db2.gz NVPDUGFIBJAVPV-SRVKXCTJSA-N 1 3 269.393 -0.718 20 0 CBADHO NC(C(=O)NCCNc1cc[nH+]cc1)C(F)(F)F ZINC000578646002 354950488 /nfs/dbraw/zinc/95/04/88/354950488.db2.gz HBEUPZIJTCZRBV-MRVPVSSYSA-N 1 3 262.235 -0.079 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579109885 354962132 /nfs/dbraw/zinc/96/21/32/354962132.db2.gz SZNWUMKFJBIFFB-XQQFMLRXSA-N 1 3 294.399 -0.783 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(C)CC1 ZINC000579122739 354962939 /nfs/dbraw/zinc/96/29/39/354962939.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122739 354962943 /nfs/dbraw/zinc/96/29/43/354962943.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122739 354962948 /nfs/dbraw/zinc/96/29/48/354962948.db2.gz KTXVMFDBACACNZ-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO COC[C@@]1(CNC(=O)CNC[C@H]2CCCO2)CCC[NH2+]1 ZINC000579464296 354970370 /nfs/dbraw/zinc/97/03/70/354970370.db2.gz JWPXDCTUVFLONC-OCCSQVGLSA-N 1 3 285.388 -0.360 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692526 354977040 /nfs/dbraw/zinc/97/70/40/354977040.db2.gz GAGOHXHEUXZHLD-JQWIXIFHSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692526 354977042 /nfs/dbraw/zinc/97/70/42/354977042.db2.gz GAGOHXHEUXZHLD-JQWIXIFHSA-N 1 3 280.372 -0.983 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000579837772 354980923 /nfs/dbraw/zinc/98/09/23/354980923.db2.gz QAAVIQPWEPUQCG-OCCSQVGLSA-N 1 3 292.383 -0.098 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000579837488 354981168 /nfs/dbraw/zinc/98/11/68/354981168.db2.gz FNOWHRBIGLXMLE-ZJUUUORDSA-N 1 3 258.366 -0.752 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1(C)C ZINC000581011443 355003400 /nfs/dbraw/zinc/00/34/00/355003400.db2.gz QRUNANVPLOZDAA-YWPYICTPSA-N 1 3 298.431 -0.461 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214133 354990637 /nfs/dbraw/zinc/99/06/37/354990637.db2.gz LIIPCVHFLXKQMK-MCYUEQNJSA-N 1 3 292.383 -0.854 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1cnn(C)c1 ZINC000580218855 354991633 /nfs/dbraw/zinc/99/16/33/354991633.db2.gz AQECNDMUUUPGDV-UHFFFAOYSA-N 1 3 297.403 -0.249 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](CN)C1 ZINC000580299702 354991697 /nfs/dbraw/zinc/99/16/97/354991697.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 1 3 295.431 -0.103 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](CN)C1 ZINC000580299702 354991698 /nfs/dbraw/zinc/99/16/98/354991698.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 1 3 295.431 -0.103 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000580942128 355001757 /nfs/dbraw/zinc/00/17/57/355001757.db2.gz LFNAFGHGZAABIT-MWLCHTKSSA-N 1 3 268.361 -0.937 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000584541288 355032042 /nfs/dbraw/zinc/03/20/42/355032042.db2.gz BSGDRHJQBSANGL-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+](CC)CC ZINC000582073419 355007573 /nfs/dbraw/zinc/00/75/73/355007573.db2.gz CYCLILNOYQRRDE-YNEHKIRRSA-N 1 3 296.415 -0.123 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240780 355012033 /nfs/dbraw/zinc/01/20/33/355012033.db2.gz LTFBQRKKAOPRAX-NRWJCBQCSA-N 1 3 279.384 -0.147 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000582600928 355017068 /nfs/dbraw/zinc/01/70/68/355017068.db2.gz JGZTZCAOSHZUEH-WDEREUQCSA-N 1 3 255.362 -0.001 20 0 CBADHO CCCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000583679338 355022508 /nfs/dbraw/zinc/02/25/08/355022508.db2.gz LCUJILBWNMFEDM-UHFFFAOYSA-N 1 3 286.420 -0.193 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000584002097 355027220 /nfs/dbraw/zinc/02/72/20/355027220.db2.gz LZOPQEWRQKIYON-FRRDWIJNSA-N 1 3 260.378 -0.229 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000584002097 355027223 /nfs/dbraw/zinc/02/72/23/355027223.db2.gz LZOPQEWRQKIYON-FRRDWIJNSA-N 1 3 260.378 -0.229 20 0 CBADHO CSC[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734983 355112334 /nfs/dbraw/zinc/11/23/34/355112334.db2.gz FYAOQXGFEHITEZ-NEPJUHHUSA-N 1 3 289.445 -0.113 20 0 CBADHO CSC[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734983 355112338 /nfs/dbraw/zinc/11/23/38/355112338.db2.gz FYAOQXGFEHITEZ-NEPJUHHUSA-N 1 3 289.445 -0.113 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000592471045 355155604 /nfs/dbraw/zinc/15/56/04/355155604.db2.gz KNWORFDVUTWENP-GARJFASQSA-N 1 3 271.361 -0.147 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CCSC)C[C@H]1C[NH3+] ZINC000593914180 355229992 /nfs/dbraw/zinc/22/99/92/355229992.db2.gz AJXMCDOVKSXPEM-OUAUKWLOSA-N 1 3 275.418 -0.111 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873870 355265941 /nfs/dbraw/zinc/26/59/41/355265941.db2.gz OQILBKZJZIJWAL-UWVGGRQHSA-N 1 3 266.345 -0.972 20 0 CBADHO CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594873945 355266048 /nfs/dbraw/zinc/26/60/48/355266048.db2.gz WEQLJNHWHXUFET-VHSXEESVSA-N 1 3 268.361 -0.726 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@@H+]1C ZINC000594877966 355266753 /nfs/dbraw/zinc/26/67/53/355266753.db2.gz ITOWAGBRVOUPGX-KKOKHZNYSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@H+]1C ZINC000594877966 355266756 /nfs/dbraw/zinc/26/67/56/355266756.db2.gz ITOWAGBRVOUPGX-KKOKHZNYSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594877940 355267172 /nfs/dbraw/zinc/26/71/72/355267172.db2.gz FMMXIXFFOGTEPZ-WHOHXGKFSA-N 1 3 280.372 -0.855 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879716 355267777 /nfs/dbraw/zinc/26/77/77/355267777.db2.gz KZPCEBNSQMQTJC-QJPTWQEYSA-N 1 3 280.372 -0.711 20 0 CBADHO CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594879701 355268054 /nfs/dbraw/zinc/26/80/54/355268054.db2.gz JUABFKROHFQQMV-WDEREUQCSA-N 1 3 282.388 -0.478 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879715 355268094 /nfs/dbraw/zinc/26/80/94/355268094.db2.gz KZPCEBNSQMQTJC-IJLUTSLNSA-N 1 3 280.372 -0.711 20 0 CBADHO COC(=O)[C@H]1C[C@@H](N(C)CCN2CC[NH2+]CC2)C1 ZINC000595905575 355317635 /nfs/dbraw/zinc/31/76/35/355317635.db2.gz VTQOBFYAAWCBAV-TXEJJXNPSA-N 1 3 255.362 -0.225 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000595944527 355324427 /nfs/dbraw/zinc/32/44/27/355324427.db2.gz MDEGUYFSPSDXFE-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000595944527 355324428 /nfs/dbraw/zinc/32/44/28/355324428.db2.gz MDEGUYFSPSDXFE-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264543 355276114 /nfs/dbraw/zinc/27/61/14/355276114.db2.gz BNNJQJHDANKRKU-GRYCIOLGSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264546 355276395 /nfs/dbraw/zinc/27/63/95/355276395.db2.gz BNNJQJHDANKRKU-SDDRHHMPSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266077 355276593 /nfs/dbraw/zinc/27/65/93/355276593.db2.gz YYLLRKWOBMPCSW-KXNHARMFSA-N 1 3 295.387 -0.790 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270843 355277038 /nfs/dbraw/zinc/27/70/38/355277038.db2.gz MMYZJOGZIZYCSC-QWRGUYRKSA-N 1 3 295.387 -0.789 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595274626 355278112 /nfs/dbraw/zinc/27/81/12/355278112.db2.gz YLLATUAXQJXFLG-IJLUTSLNSA-N 1 3 297.403 -0.687 20 0 CBADHO CSC1(CNc2nc(N)nc(N)n2)CC[NH+](C)CC1 ZINC000599084328 355462587 /nfs/dbraw/zinc/46/25/87/355462587.db2.gz APYHSFMPZGIIKN-UHFFFAOYSA-N 1 3 283.405 -0.642 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[NH2+]1 ZINC000599933398 355519102 /nfs/dbraw/zinc/51/91/02/355519102.db2.gz JECKMRUBDXVTBH-WRWGMCAJSA-N 1 3 295.387 -0.920 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000599936618 355519965 /nfs/dbraw/zinc/51/99/65/355519965.db2.gz YICVVANITBOGQS-SRVKXCTJSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000599936618 355519970 /nfs/dbraw/zinc/51/99/70/355519970.db2.gz YICVVANITBOGQS-SRVKXCTJSA-N 1 3 295.387 -0.966 20 0 CBADHO COC(=O)COCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000600761585 355566116 /nfs/dbraw/zinc/56/61/16/355566116.db2.gz MFBMLOHWIFDZTR-LLVKDONJSA-N 1 3 260.334 -0.778 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000602532569 355658390 /nfs/dbraw/zinc/65/83/90/355658390.db2.gz YJPHNYJJARPEFA-QWRGUYRKSA-N 1 3 271.361 -0.277 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000602532565 355658428 /nfs/dbraw/zinc/65/84/28/355658428.db2.gz YJPHNYJJARPEFA-GHMZBOCLSA-N 1 3 271.361 -0.277 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974060 355623745 /nfs/dbraw/zinc/62/37/45/355623745.db2.gz LIIPCVHFLXKQMK-ASHKBJFXSA-N 1 3 292.383 -0.854 20 0 CBADHO CN(C)CCOCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612905295 355855893 /nfs/dbraw/zinc/85/58/93/355855893.db2.gz RSGYBMHIQOQONN-LBPRGKRZSA-N 1 3 258.366 -0.384 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000614853467 355991987 /nfs/dbraw/zinc/99/19/87/355991987.db2.gz WSOJBIKSZNHPPF-LBPRGKRZSA-N 1 3 280.372 -0.053 20 0 CBADHO C[C@@H](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000617752082 356154878 /nfs/dbraw/zinc/15/48/78/356154878.db2.gz JBCVQJAFNYEPTB-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CC1CN(C)C1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000618191896 356179719 /nfs/dbraw/zinc/17/97/19/356179719.db2.gz WMUJNWUOOIPJCM-CYBMUJFWSA-N 1 3 266.389 -0.604 20 0 CBADHO CN(CC1CN(C)C1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000618191896 356179722 /nfs/dbraw/zinc/17/97/22/356179722.db2.gz WMUJNWUOOIPJCM-CYBMUJFWSA-N 1 3 266.389 -0.604 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC000617507411 356139027 /nfs/dbraw/zinc/13/90/27/356139027.db2.gz VTADKZJLQJPGKO-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC000617507411 356139030 /nfs/dbraw/zinc/13/90/30/356139030.db2.gz VTADKZJLQJPGKO-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N1 ZINC000617502576 356139060 /nfs/dbraw/zinc/13/90/60/356139060.db2.gz UZYKCRGCYZTRLY-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N1 ZINC000617502576 356139063 /nfs/dbraw/zinc/13/90/63/356139063.db2.gz UZYKCRGCYZTRLY-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC000617507410 356139259 /nfs/dbraw/zinc/13/92/59/356139259.db2.gz VTADKZJLQJPGKO-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC000617507410 356139263 /nfs/dbraw/zinc/13/92/63/356139263.db2.gz VTADKZJLQJPGKO-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(N)=O ZINC000617503704 356139518 /nfs/dbraw/zinc/13/95/18/356139518.db2.gz VOCZVBGOYJEBGV-JTQLQIEISA-N 1 3 273.381 -0.957 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(N)=O ZINC000617503704 356139522 /nfs/dbraw/zinc/13/95/22/356139522.db2.gz VOCZVBGOYJEBGV-JTQLQIEISA-N 1 3 273.381 -0.957 20 0 CBADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@H+](C)C1 ZINC000617553679 356141459 /nfs/dbraw/zinc/14/14/59/356141459.db2.gz NXZJSFVEYOIWHC-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@@H+](C)C1 ZINC000617553679 356141460 /nfs/dbraw/zinc/14/14/60/356141460.db2.gz NXZJSFVEYOIWHC-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000618305862 356185174 /nfs/dbraw/zinc/18/51/74/356185174.db2.gz KEPACDSOEHOUHE-GFCCVEGCSA-N 1 3 284.404 -0.584 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000618305862 356185179 /nfs/dbraw/zinc/18/51/79/356185179.db2.gz KEPACDSOEHOUHE-GFCCVEGCSA-N 1 3 284.404 -0.584 20 0 CBADHO CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000621624746 356278120 /nfs/dbraw/zinc/27/81/20/356278120.db2.gz WASYUAJZYYOIEN-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621846005 356290436 /nfs/dbraw/zinc/29/04/36/356290436.db2.gz SWAHGPVPLZEWFQ-SWLSCSKDSA-N 1 3 296.415 -0.216 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003950 356298814 /nfs/dbraw/zinc/29/88/14/356298814.db2.gz IFMNFOWONKIANZ-NFAWXSAZSA-N 1 3 280.416 -0.003 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622003949 356298876 /nfs/dbraw/zinc/29/88/76/356298876.db2.gz IFMNFOWONKIANZ-IPYPFGDCSA-N 1 3 280.416 -0.003 20 0 CBADHO Nc1cc[nH+]c2c1CN(c1nc(N)nc(N)n1)CC2 ZINC000623283480 356359230 /nfs/dbraw/zinc/35/92/30/356359230.db2.gz YJSAQRNWXMXWFW-UHFFFAOYSA-N 1 3 258.289 -0.763 20 0 CBADHO C[C@@H](CNc1nc(N)nc(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000623845485 356379613 /nfs/dbraw/zinc/37/96/13/356379613.db2.gz FZVCOKSGDDNNHG-JTQLQIEISA-N 1 3 299.382 -0.023 20 0 CBADHO C[C@@H](CNc1nc(N)nc(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000623845485 356379614 /nfs/dbraw/zinc/37/96/14/356379614.db2.gz FZVCOKSGDDNNHG-JTQLQIEISA-N 1 3 299.382 -0.023 20 0 CBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623864306 356380478 /nfs/dbraw/zinc/38/04/78/356380478.db2.gz LNQJOQWJZBPNNV-NXEZZACHSA-N 1 3 279.392 -0.101 20 0 CBADHO C[NH+]1CCC(CCNc2nc(N)nc(N)n2)CC1 ZINC000623915011 356382375 /nfs/dbraw/zinc/38/23/75/356382375.db2.gz REOFOZSCEQKFDL-UHFFFAOYSA-N 1 3 251.338 -0.738 20 0 CBADHO C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623991986 356386602 /nfs/dbraw/zinc/38/66/02/356386602.db2.gz YIDAIAWDPFAGMB-SFYZADRCSA-N 1 3 251.338 -0.384 20 0 CBADHO C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623991986 356386603 /nfs/dbraw/zinc/38/66/03/356386603.db2.gz YIDAIAWDPFAGMB-SFYZADRCSA-N 1 3 251.338 -0.384 20 0 CBADHO CCC[N@H+](C)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624005566 356387915 /nfs/dbraw/zinc/38/79/15/356387915.db2.gz UZCKYJXWFAZLTK-SECBINFHSA-N 1 3 265.365 -0.135 20 0 CBADHO CCC[N@@H+](C)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624005566 356387917 /nfs/dbraw/zinc/38/79/17/356387917.db2.gz UZCKYJXWFAZLTK-SECBINFHSA-N 1 3 265.365 -0.135 20 0 CBADHO C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc(N)nc(N)n1 ZINC000624088658 356396764 /nfs/dbraw/zinc/39/67/64/356396764.db2.gz QHAHNHCLFDVLKE-QMMMGPOBSA-N 1 3 265.365 -0.137 20 0 CBADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000625891301 356496879 /nfs/dbraw/zinc/49/68/79/356496879.db2.gz SCEJCOINGHISCL-SNVBAGLBSA-N 1 3 266.349 -0.072 20 0 CBADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626980510 356562685 /nfs/dbraw/zinc/56/26/85/356562685.db2.gz IOGBNDKGPKOADK-CYBMUJFWSA-N 1 3 283.420 -0.325 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000626978642 356562533 /nfs/dbraw/zinc/56/25/33/356562533.db2.gz HNYZGNNDNGNVQZ-LLVKDONJSA-N 1 3 270.377 -0.242 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000627158559 356591101 /nfs/dbraw/zinc/59/11/01/356591101.db2.gz YFJXFNUKUZCTDY-WDEREUQCSA-N 1 3 268.361 -0.489 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000627171391 356593032 /nfs/dbraw/zinc/59/30/32/356593032.db2.gz UZWRAMHGZIQAEG-GHMZBOCLSA-N 1 3 258.366 -0.386 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000627116195 356586157 /nfs/dbraw/zinc/58/61/57/356586157.db2.gz GPQWVEZHHSXZKU-OLZOCXBDSA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@](C)(O)CN(C)C ZINC000627241451 356610803 /nfs/dbraw/zinc/61/08/03/356610803.db2.gz GWQVARYVMDSLNW-UMNHJUIQSA-N 1 3 258.366 -0.651 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(CCCO)C1 ZINC000627251755 356613878 /nfs/dbraw/zinc/61/38/78/356613878.db2.gz ZIOKEEBWPUHPFM-VXGBXAGGSA-N 1 3 270.377 -0.506 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)C[NH2+]1 ZINC000627205203 356604672 /nfs/dbraw/zinc/60/46/72/356604672.db2.gz NXFOXALNHJQOJS-NQBHXWOUSA-N 1 3 270.377 -0.507 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2CN)C[NH2+]1 ZINC000627208018 356605081 /nfs/dbraw/zinc/60/50/81/356605081.db2.gz VOSVOXPMYLJOAW-GRYCIOLGSA-N 1 3 269.393 -0.589 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000627357637 356631348 /nfs/dbraw/zinc/63/13/48/356631348.db2.gz LMCDVSNDTPCORH-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000627357252 356631656 /nfs/dbraw/zinc/63/16/56/356631656.db2.gz BGIXYSVYUKQRFU-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000627357860 356631711 /nfs/dbraw/zinc/63/17/11/356631711.db2.gz SRVSGVQFNKTMQU-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627367371 356633557 /nfs/dbraw/zinc/63/35/57/356633557.db2.gz RMNGLCJIQSIMRR-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000627372154 356634901 /nfs/dbraw/zinc/63/49/01/356634901.db2.gz DQQLXPIGLJWCJR-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1=CCN(C)CC1 ZINC000627376409 356635254 /nfs/dbraw/zinc/63/52/54/356635254.db2.gz ARZVQZJFTMOBER-ZYHUDNBSSA-N 1 3 280.372 -0.769 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000627294469 356621166 /nfs/dbraw/zinc/62/11/66/356621166.db2.gz BEEQCYDQAZGESR-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627295001 356621655 /nfs/dbraw/zinc/62/16/55/356621655.db2.gz RCORKTVHBINBHR-GRYCIOLGSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000627372883 356635357 /nfs/dbraw/zinc/63/53/57/356635357.db2.gz ZHTKTGXSQWGNLR-KGYLQXTDSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000627319015 356625909 /nfs/dbraw/zinc/62/59/09/356625909.db2.gz HNYMCGUVWOZUSA-NWDGAFQWSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000627341933 356629309 /nfs/dbraw/zinc/62/93/09/356629309.db2.gz RYMKEVCVBWJQQY-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627346549 356629820 /nfs/dbraw/zinc/62/98/20/356629820.db2.gz VTBGQOOMKOPKMC-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000627457248 356649259 /nfs/dbraw/zinc/64/92/59/356649259.db2.gz PAGUQKBOGWHRTA-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627389731 356637406 /nfs/dbraw/zinc/63/74/06/356637406.db2.gz NPUDSDQDEQBODO-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627389729 356637450 /nfs/dbraw/zinc/63/74/50/356637450.db2.gz NPUDSDQDEQBODO-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505975 356660846 /nfs/dbraw/zinc/66/08/46/356660846.db2.gz SAWMJRCKEZVBMD-GFCCVEGCSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507575 356661667 /nfs/dbraw/zinc/66/16/67/356661667.db2.gz YHSOBOAUIXWUOA-GHMZBOCLSA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[NH2+]1 ZINC000627477420 356653634 /nfs/dbraw/zinc/65/36/34/356653634.db2.gz VMSNZTWVRHHRPZ-UPJWGTAASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[NH2+]1 ZINC000627477417 356653828 /nfs/dbraw/zinc/65/38/28/356653828.db2.gz VMSNZTWVRHHRPZ-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)C[NH2+]1 ZINC000627484364 356655438 /nfs/dbraw/zinc/65/54/38/356655438.db2.gz WWSBLUBTRFYHRE-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000627499139 356657205 /nfs/dbraw/zinc/65/72/05/356657205.db2.gz APUUEJBKBSXELH-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000627499138 356657242 /nfs/dbraw/zinc/65/72/42/356657242.db2.gz APUUEJBKBSXELH-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000627499444 356658253 /nfs/dbraw/zinc/65/82/53/356658253.db2.gz NCGOVOOMLHCINK-RWMBFGLXSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000627502624 356659002 /nfs/dbraw/zinc/65/90/02/356659002.db2.gz FCIQYRGTOUFHJI-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000627503760 356659900 /nfs/dbraw/zinc/65/99/00/356659900.db2.gz ZXSFIEFETZZSFD-QJPTWQEYSA-N 1 3 282.388 -0.594 20 0 CBADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@H]21 ZINC000627653365 356667515 /nfs/dbraw/zinc/66/75/15/356667515.db2.gz MPRMKSRZIXNXKZ-RFQIPJPRSA-N 1 3 278.400 -0.605 20 0 CBADHO OCCN(CCO)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000628370319 356695636 /nfs/dbraw/zinc/69/56/36/356695636.db2.gz JEDXBWWOIZRHIB-AWEZNQCLSA-N 1 3 272.389 -0.084 20 0 CBADHO NC(=O)C[C@@H]1CN([C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000629545440 356778767 /nfs/dbraw/zinc/77/87/67/356778767.db2.gz MIDTZDUSIWXCFA-WUHRBBMRSA-N 1 3 267.373 -0.049 20 0 CBADHO c1cnc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000629552491 356778887 /nfs/dbraw/zinc/77/88/87/356778887.db2.gz KXLGGIWASQGYLW-LBPRGKRZSA-N 1 3 262.361 -0.007 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000629787787 356792411 /nfs/dbraw/zinc/79/24/11/356792411.db2.gz LCUNILTZRGANHG-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000629796394 356794483 /nfs/dbraw/zinc/79/44/83/356794483.db2.gz QIQOXCXADQUDGA-UHFFFAOYSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629801586 356795966 /nfs/dbraw/zinc/79/59/66/356795966.db2.gz AUBGGPMPBHYBSM-STQMWFEESA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000629801586 356795971 /nfs/dbraw/zinc/79/59/71/356795971.db2.gz AUBGGPMPBHYBSM-STQMWFEESA-N 1 3 296.415 -0.264 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000630074438 356823565 /nfs/dbraw/zinc/82/35/65/356823565.db2.gz AOBAWUJRAXIUHR-RFQIPJPRSA-N 1 3 281.400 -0.006 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000630074438 356823567 /nfs/dbraw/zinc/82/35/67/356823567.db2.gz AOBAWUJRAXIUHR-RFQIPJPRSA-N 1 3 281.400 -0.006 20 0 CBADHO CS(=O)(=O)NC1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629576674 356781371 /nfs/dbraw/zinc/78/13/71/356781371.db2.gz BRUCOVDWMKFPKS-HTAVTVPLSA-N 1 3 291.417 -0.887 20 0 CBADHO OCCN1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629585035 356784152 /nfs/dbraw/zinc/78/41/52/356784152.db2.gz YKCIRKOJKCHCDY-GJZGRUSLSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000629585035 356784155 /nfs/dbraw/zinc/78/41/55/356784155.db2.gz YKCIRKOJKCHCDY-GJZGRUSLSA-N 1 3 285.432 -0.121 20 0 CBADHO O[C@H](C[NH2+]C[C@@H](O)[C@@H]1CCCO1)CN1CCCC1 ZINC000629590341 356784189 /nfs/dbraw/zinc/78/41/89/356784189.db2.gz VGBLKUOCFVVYKC-UPJWGTAASA-N 1 3 258.362 -0.427 20 0 CBADHO CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629600079 356785146 /nfs/dbraw/zinc/78/51/46/356785146.db2.gz RHLVXQSGWKWINI-QWHCGFSZSA-N 1 3 257.378 -0.637 20 0 CBADHO C[NH+](C)CCCn1cc(Cn2cc(CN)cn2)nn1 ZINC000630586482 356853903 /nfs/dbraw/zinc/85/39/03/356853903.db2.gz YBDRQACYFHQDBI-UHFFFAOYSA-N 1 3 263.349 -0.067 20 0 CBADHO c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CNCCO1 ZINC000630616305 356855172 /nfs/dbraw/zinc/85/51/72/356855172.db2.gz IDKWQYMSMOSRGX-YPMHNXCESA-N 1 3 265.361 -0.191 20 0 CBADHO C[NH2+]CCOCCN(C)C[C@@H]1CCc2ncnn21 ZINC000631830496 356909714 /nfs/dbraw/zinc/90/97/14/356909714.db2.gz UFKCYRSEXMASNB-NSHDSACASA-N 1 3 253.350 -0.067 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631841902 356910719 /nfs/dbraw/zinc/91/07/19/356910719.db2.gz ROMCDOUNTDLSNM-VXGBXAGGSA-N 1 3 255.362 -0.238 20 0 CBADHO C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1CN ZINC000631841902 356910722 /nfs/dbraw/zinc/91/07/22/356910722.db2.gz ROMCDOUNTDLSNM-VXGBXAGGSA-N 1 3 255.362 -0.238 20 0 CBADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1CN ZINC000631841902 356910724 /nfs/dbraw/zinc/91/07/24/356910724.db2.gz ROMCDOUNTDLSNM-VXGBXAGGSA-N 1 3 255.362 -0.238 20 0 CBADHO CS(=O)(=O)N[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000631867336 356914303 /nfs/dbraw/zinc/91/43/03/356914303.db2.gz QWWJICQMYBOJLC-NWDGAFQWSA-N 1 3 275.418 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000631900181 356917106 /nfs/dbraw/zinc/91/71/06/356917106.db2.gz JUYBBYRCKJDLFQ-UHFFFAOYSA-N 1 3 292.449 -0.847 20 0 CBADHO C[NH2+]C[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631904553 356920482 /nfs/dbraw/zinc/92/04/82/356920482.db2.gz QYWGQWXOQLIKKH-NSHDSACASA-N 1 3 263.407 -0.191 20 0 CBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000631929939 356924939 /nfs/dbraw/zinc/92/49/39/356924939.db2.gz RPYVTGVSSMINCY-GFCCVEGCSA-N 1 3 291.417 -0.538 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631932548 356926071 /nfs/dbraw/zinc/92/60/71/356926071.db2.gz WFAUHTPWQUXWIT-MNOVXSKESA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@@H]1CCNC[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935737 356928236 /nfs/dbraw/zinc/92/82/36/356928236.db2.gz ZEKZSMLYYZAVLE-ZYHUDNBSSA-N 1 3 290.433 -0.497 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000631945192 356930870 /nfs/dbraw/zinc/93/08/70/356930870.db2.gz QWYKIIAUDAKPHM-NSHDSACASA-N 1 3 279.406 -0.683 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)CCOCC[NH3+] ZINC000631955384 356934771 /nfs/dbraw/zinc/93/47/71/356934771.db2.gz JEWMNVNCEOCKTC-UHFFFAOYSA-N 1 3 267.395 -0.825 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@H]1C[NH3+] ZINC000631965851 356935560 /nfs/dbraw/zinc/93/55/60/356935560.db2.gz IUKXPWNCENQPDB-GHMZBOCLSA-N 1 3 263.407 -0.206 20 0 CBADHO COCCNCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860113 357029104 /nfs/dbraw/zinc/02/91/04/357029104.db2.gz FBRHUDCIPSWYCL-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632878302 357029819 /nfs/dbraw/zinc/02/98/19/357029819.db2.gz OUZSTXYOGZYSOF-AAEUAGOBSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC[N@@H+]1C ZINC000633072542 357039516 /nfs/dbraw/zinc/03/95/16/357039516.db2.gz PFANPNNLFFMZEZ-GRYCIOLGSA-N 1 3 257.378 -0.245 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC[N@H+]1C ZINC000633072542 357039517 /nfs/dbraw/zinc/03/95/17/357039517.db2.gz PFANPNNLFFMZEZ-GRYCIOLGSA-N 1 3 257.378 -0.245 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633079331 357040668 /nfs/dbraw/zinc/04/06/68/357040668.db2.gz VYDKBLRBEMKJGQ-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H](N2CCCC2)C1 ZINC000633083761 357041728 /nfs/dbraw/zinc/04/17/28/357041728.db2.gz ICMLMLBPUZMRBC-XQQFMLRXSA-N 1 3 292.383 -0.744 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000633099641 357045213 /nfs/dbraw/zinc/04/52/13/357045213.db2.gz VDEJMEYDWJUVSK-VXGBXAGGSA-N 1 3 296.415 -0.408 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633107372 357046916 /nfs/dbraw/zinc/04/69/16/357046916.db2.gz PTPVMSPJROTZRH-TUAOUCFPSA-N 1 3 280.372 -0.888 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1C[NH3+] ZINC000633106791 357047076 /nfs/dbraw/zinc/04/70/76/357047076.db2.gz MQNWXXFQUNZDSJ-UPJWGTAASA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000633120854 357050672 /nfs/dbraw/zinc/05/06/72/357050672.db2.gz VEWCJGAKHFHNBP-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CC1(OCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CNC1 ZINC000634744218 357132564 /nfs/dbraw/zinc/13/25/64/357132564.db2.gz RCOBFJQCAGJAJG-BETUJISGSA-N 1 3 267.373 -0.177 20 0 CBADHO O=C(CN1CCCC1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992086 357141494 /nfs/dbraw/zinc/14/14/94/357141494.db2.gz COCOOMNUTVVWII-UHFFFAOYSA-N 1 3 292.427 -0.022 20 0 CBADHO CNS(=O)(=O)CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000635003663 357142395 /nfs/dbraw/zinc/14/23/95/357142395.db2.gz APSVRCSPMISJNS-MNOVXSKESA-N 1 3 263.407 -0.097 20 0 CBADHO CNS(=O)(=O)CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000635003663 357142397 /nfs/dbraw/zinc/14/23/97/357142397.db2.gz APSVRCSPMISJNS-MNOVXSKESA-N 1 3 263.407 -0.097 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992934 357142506 /nfs/dbraw/zinc/14/25/06/357142506.db2.gz GFBAUTKLEHKBTL-NPCAHTBFSA-N 1 3 292.427 -0.023 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000635001752 357142641 /nfs/dbraw/zinc/14/26/41/357142641.db2.gz CEJIVQWQJCJKAN-UPJWGTAASA-N 1 3 266.389 -0.380 20 0 CBADHO CCN(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635809505 357211145 /nfs/dbraw/zinc/21/11/45/357211145.db2.gz JTGKLRVDRWBACV-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CCN(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635809505 357211149 /nfs/dbraw/zinc/21/11/49/357211149.db2.gz JTGKLRVDRWBACV-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907199 357310006 /nfs/dbraw/zinc/31/00/06/357310006.db2.gz LUXPAJSWVRIAQY-BZPMIXESSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000636907199 357310010 /nfs/dbraw/zinc/31/00/10/357310010.db2.gz LUXPAJSWVRIAQY-BZPMIXESSA-N 1 3 296.415 -0.023 20 0 CBADHO C[N@@H+](CCNC(=O)NCCN1CC[C@H](O)C1)C1CC1 ZINC000636777016 357302852 /nfs/dbraw/zinc/30/28/52/357302852.db2.gz LDZQJHXSGGTQMO-LBPRGKRZSA-N 1 3 270.377 -0.554 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636075748 357261244 /nfs/dbraw/zinc/26/12/44/357261244.db2.gz DCXWOSQRRGKITE-CHWSQXEVSA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636075748 357261249 /nfs/dbraw/zinc/26/12/49/357261249.db2.gz DCXWOSQRRGKITE-CHWSQXEVSA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636075764 357261302 /nfs/dbraw/zinc/26/13/02/357261302.db2.gz DCXWOSQRRGKITE-STQMWFEESA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636075764 357261306 /nfs/dbraw/zinc/26/13/06/357261306.db2.gz DCXWOSQRRGKITE-STQMWFEESA-N 1 3 296.415 -0.093 20 0 CBADHO COC[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCCN1 ZINC000637822902 357371634 /nfs/dbraw/zinc/37/16/34/357371634.db2.gz OCKITUUFQMBBSW-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cn1 ZINC000637827034 357371664 /nfs/dbraw/zinc/37/16/64/357371664.db2.gz MGEMKTKSHBMNON-LBPRGKRZSA-N 1 3 265.361 -0.074 20 0 CBADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000637832535 357372676 /nfs/dbraw/zinc/37/26/76/357372676.db2.gz IJIZBYMEFMIMFD-XQQFMLRXSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637002662 357316467 /nfs/dbraw/zinc/31/64/67/357316467.db2.gz UGIANRQUVQGDLQ-GFCCVEGCSA-N 1 3 272.393 -0.258 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H](C)N1 ZINC000637841147 357374628 /nfs/dbraw/zinc/37/46/28/357374628.db2.gz RAYPTJMQRPQSNB-NTZNESFSSA-N 1 3 255.362 -0.049 20 0 CBADHO COC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCCCN1 ZINC000637838087 357375230 /nfs/dbraw/zinc/37/52/30/357375230.db2.gz QQZIXENLMFRURG-WCQYABFASA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@@H](C)N1 ZINC000637841148 357375360 /nfs/dbraw/zinc/37/53/60/357375360.db2.gz RAYPTJMQRPQSNB-WZRBSPASSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CN1CCNCC1 ZINC000637852730 357377037 /nfs/dbraw/zinc/37/70/37/357377037.db2.gz HSHSRRBONGDUKD-NWDGAFQWSA-N 1 3 254.378 -0.475 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CN1CCNCC1 ZINC000637852729 357377364 /nfs/dbraw/zinc/37/73/64/357377364.db2.gz HSHSRRBONGDUKD-NEPJUHHUSA-N 1 3 254.378 -0.475 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798365 357365465 /nfs/dbraw/zinc/36/54/65/357365465.db2.gz XECIXYMIQJVMQK-CYBMUJFWSA-N 1 3 287.404 -0.079 20 0 CBADHO CN(C)CCn1cc(C(=O)NC2CC[NH2+]CC2)cn1 ZINC000637799203 357365595 /nfs/dbraw/zinc/36/55/95/357365595.db2.gz VEYDGAOBDHGUAC-UHFFFAOYSA-N 1 3 265.361 -0.074 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637804562 357366849 /nfs/dbraw/zinc/36/68/49/357366849.db2.gz DLOZTXWISGJWHG-CYBMUJFWSA-N 1 3 287.404 -0.161 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638078156 357412686 /nfs/dbraw/zinc/41/26/86/357412686.db2.gz DVIORVTYXGBYBQ-DZGCQCFKSA-N 1 3 299.415 -0.020 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCN(C)C2CC2)C1 ZINC000638081635 357412885 /nfs/dbraw/zinc/41/28/85/357412885.db2.gz BAKIKJAWVDGFBC-YPMHNXCESA-N 1 3 255.362 -0.036 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCN(C)C2CC2)C1 ZINC000638081633 357412905 /nfs/dbraw/zinc/41/29/05/357412905.db2.gz BAKIKJAWVDGFBC-DGCLKSJQSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCN(C)CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638092333 357414907 /nfs/dbraw/zinc/41/49/07/357414907.db2.gz XAGSUYIPAOGDAJ-AWEZNQCLSA-N 1 3 287.404 -0.161 20 0 CBADHO COCCN1CC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638098912 357417216 /nfs/dbraw/zinc/41/72/16/357417216.db2.gz FAYFOTAWEJBBML-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000638099642 357417574 /nfs/dbraw/zinc/41/75/74/357417574.db2.gz IGWJDRCEIPWORH-ZDUSSCGKSA-N 1 3 266.389 -0.413 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638121668 357421464 /nfs/dbraw/zinc/42/14/64/357421464.db2.gz HTMQVSAQRRQJOM-GXTWGEPZSA-N 1 3 287.404 -0.162 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120730 357422100 /nfs/dbraw/zinc/42/21/00/357422100.db2.gz CAQBKOWRHCPDDT-AWEZNQCLSA-N 1 3 280.416 -0.164 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638130548 357422818 /nfs/dbraw/zinc/42/28/18/357422818.db2.gz JWSFYNPROHSBMR-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638130548 357422823 /nfs/dbraw/zinc/42/28/23/357422823.db2.gz JWSFYNPROHSBMR-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000638137620 357423880 /nfs/dbraw/zinc/42/38/80/357423880.db2.gz XDRJRNZNSBWHPW-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CCN1CCN(CCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638138016 357424224 /nfs/dbraw/zinc/42/42/24/357424224.db2.gz SYAWTJXAMNBLQL-ZDUSSCGKSA-N 1 3 266.389 -0.212 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137820 357424421 /nfs/dbraw/zinc/42/44/21/357424421.db2.gz OVGRBAVNCZSCLD-HNNXBMFYSA-N 1 3 298.431 -0.504 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000638138133 357424786 /nfs/dbraw/zinc/42/47/86/357424786.db2.gz WFLIMUFVEOLLJY-CHWSQXEVSA-N 1 3 270.421 -0.016 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000638138135 357425469 /nfs/dbraw/zinc/42/54/69/357425469.db2.gz WFLIMUFVEOLLJY-QWHCGFSZSA-N 1 3 270.421 -0.016 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000638151876 357426617 /nfs/dbraw/zinc/42/66/17/357426617.db2.gz GGIUTEXRVSTDFA-NEPJUHHUSA-N 1 3 271.361 -0.798 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000638151885 357426642 /nfs/dbraw/zinc/42/66/42/357426642.db2.gz GGIUTEXRVSTDFA-VXGBXAGGSA-N 1 3 271.361 -0.798 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638146589 357426649 /nfs/dbraw/zinc/42/66/49/357426649.db2.gz UUDABNVGWZPKHC-KGLIPLIRSA-N 1 3 280.416 -0.118 20 0 CBADHO C[C@@]1(CNC(=O)CN2CCNCC2)CCC[NH2+]C1 ZINC000638162166 357428320 /nfs/dbraw/zinc/42/83/20/357428320.db2.gz DPRDEPVJIIBNQR-CYBMUJFWSA-N 1 3 254.378 -0.603 20 0 CBADHO [NH3+]CCOc1ccc(NC(=O)CN2CCNCC2)cc1 ZINC000638160348 357428547 /nfs/dbraw/zinc/42/85/47/357428547.db2.gz FPZXYIBMTVULMW-UHFFFAOYSA-N 1 3 278.356 -0.132 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCNCC3)C[C@H]21 ZINC000638164983 357429085 /nfs/dbraw/zinc/42/90/85/357429085.db2.gz LBSAHBXVWJRKOP-YNEHKIRRSA-N 1 3 266.389 -0.523 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246691 357443424 /nfs/dbraw/zinc/44/34/24/357443424.db2.gz DGCNNSJWKNHVRM-QFOLPQNPSA-N 1 3 259.325 -0.430 20 0 CBADHO CC(C)CC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637864158 357379482 /nfs/dbraw/zinc/37/94/82/357379482.db2.gz NTQKNYHRHXMLBR-RYUDHWBXSA-N 1 3 256.394 -0.149 20 0 CBADHO COC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CCCCN1 ZINC000637868667 357380478 /nfs/dbraw/zinc/38/04/78/357380478.db2.gz YQUVIEVZLUHPOT-SCRDCRAPSA-N 1 3 285.388 -0.280 20 0 CBADHO CO[C@@]1(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571634 357495409 /nfs/dbraw/zinc/49/54/09/357495409.db2.gz NQDBEFVAQUYFAN-UKRRQHHQSA-N 1 3 299.415 -0.031 20 0 CBADHO CO[C@@]1(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571634 357495412 /nfs/dbraw/zinc/49/54/12/357495412.db2.gz NQDBEFVAQUYFAN-UKRRQHHQSA-N 1 3 299.415 -0.031 20 0 CBADHO CO[C@@]1(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571632 357495776 /nfs/dbraw/zinc/49/57/76/357495776.db2.gz NQDBEFVAQUYFAN-DZGCQCFKSA-N 1 3 299.415 -0.031 20 0 CBADHO CO[C@@]1(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571632 357495780 /nfs/dbraw/zinc/49/57/80/357495780.db2.gz NQDBEFVAQUYFAN-DZGCQCFKSA-N 1 3 299.415 -0.031 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579084 357497652 /nfs/dbraw/zinc/49/76/52/357497652.db2.gz LZCMAWQLHGYSPL-RISCZKNCSA-N 1 3 287.404 -0.129 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000638585159 357498800 /nfs/dbraw/zinc/49/88/00/357498800.db2.gz UMVWDPWEJOWXDO-ZDUSSCGKSA-N 1 3 265.357 -0.091 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000638587470 357499052 /nfs/dbraw/zinc/49/90/52/357499052.db2.gz OBYMPTYBYHZKFC-SECBINFHSA-N 1 3 266.363 -0.886 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000638594858 357500279 /nfs/dbraw/zinc/50/02/79/357500279.db2.gz NLVCNUNGUUEZDB-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO C[C@@H](NC(=O)c1cnn(CCN(C)C)c1)[C@H](C)[NH3+] ZINC000638257793 357445491 /nfs/dbraw/zinc/44/54/91/357445491.db2.gz WWLBXNSYLILEPV-VHSXEESVSA-N 1 3 253.350 -0.090 20 0 CBADHO O=C(CN1CCNCC1)NCCC[C@H]1CCC[NH2+]1 ZINC000638267750 357445989 /nfs/dbraw/zinc/44/59/89/357445989.db2.gz UOHRAJAXYXZVCS-GFCCVEGCSA-N 1 3 254.378 -0.460 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCCN1 ZINC000638263759 357446414 /nfs/dbraw/zinc/44/64/14/357446414.db2.gz CMWIZGRVWKWRCT-OCCSQVGLSA-N 1 3 285.388 -0.360 20 0 CBADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CNCCO2)cn1 ZINC000638338360 357460367 /nfs/dbraw/zinc/46/03/67/357460367.db2.gz WOUNHFCJRYSAFW-GFCCVEGCSA-N 1 3 281.360 -0.837 20 0 CBADHO COC[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCCCN1 ZINC000638341873 357460855 /nfs/dbraw/zinc/46/08/55/357460855.db2.gz CPEIWFBWOCURBN-TZMCWYRMSA-N 1 3 285.388 -0.279 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@]2(COC)CCCCN2)C[C@H]1C[NH3+] ZINC000638392602 357466968 /nfs/dbraw/zinc/46/69/68/357466968.db2.gz ZVQNHIIBGSTVII-UMVBOHGHSA-N 1 3 299.415 -0.033 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000638414377 357472169 /nfs/dbraw/zinc/47/21/69/357472169.db2.gz OVITXHPUOWDUSK-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cn1 ZINC000638441647 357477687 /nfs/dbraw/zinc/47/76/87/357477687.db2.gz YKNMBVMCZLYMSQ-ZDUSSCGKSA-N 1 3 265.361 -0.074 20 0 CBADHO CC(C)[C@@H]1CNCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638484123 357482951 /nfs/dbraw/zinc/48/29/51/357482951.db2.gz OLSIWTPYJYPMDA-NEPJUHHUSA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)[C@H]1CNCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638492376 357484034 /nfs/dbraw/zinc/48/40/34/357484034.db2.gz OREPZTPZYNXJSM-VXGBXAGGSA-N 1 3 256.394 -0.278 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540341 357493476 /nfs/dbraw/zinc/49/34/76/357493476.db2.gz ORMFPWDTEPPWJV-GHMZBOCLSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540342 357493616 /nfs/dbraw/zinc/49/36/16/357493616.db2.gz ORMFPWDTEPPWJV-MNOVXSKESA-N 1 3 255.362 -0.001 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCCN2C)C1 ZINC000638536657 357493636 /nfs/dbraw/zinc/49/36/36/357493636.db2.gz RRFNEXPLKSGVJO-NQBHXWOUSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]CCCOCCNC(=O)CNC[C@@H]1CCCO1 ZINC000638656634 357516274 /nfs/dbraw/zinc/51/62/74/357516274.db2.gz IUQMSNBYFLWCPO-NSHDSACASA-N 1 3 259.350 -0.763 20 0 CBADHO NC1(C(=O)NCCOCCC[NH3+])Cc2ccccc2C1 ZINC000638656161 357516375 /nfs/dbraw/zinc/51/63/75/357516375.db2.gz DPAVDYYGKYAKPL-UHFFFAOYSA-N 1 3 277.368 -0.036 20 0 CBADHO [NH3+]CCCOCCNC(=O)C[C@H]1CSCCN1 ZINC000638663322 357518194 /nfs/dbraw/zinc/51/81/94/357518194.db2.gz LUTSINXOAUVXRV-JTQLQIEISA-N 1 3 261.391 -0.437 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@@H](N)Cc1ccccc1 ZINC000638680610 357520948 /nfs/dbraw/zinc/52/09/48/357520948.db2.gz UQXMXKZNSJQRBG-ZDUSSCGKSA-N 1 3 265.357 -0.010 20 0 CBADHO NCc1ccc2c(c1)N(C(=O)COCC[NH3+])CCO2 ZINC000638803808 357532973 /nfs/dbraw/zinc/53/29/73/357532973.db2.gz OYYYOSLQDIIADU-UHFFFAOYSA-N 1 3 265.313 -0.154 20 0 CBADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCNCC1 ZINC000638910453 357541880 /nfs/dbraw/zinc/54/18/80/357541880.db2.gz REIRFVHSKKRSKJ-QWRGUYRKSA-N 1 3 252.362 -0.757 20 0 CBADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNCC1 ZINC000638918639 357544579 /nfs/dbraw/zinc/54/45/79/357544579.db2.gz BALRYWGTFVFTSP-TXEJJXNPSA-N 1 3 266.389 -0.367 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933709 357545352 /nfs/dbraw/zinc/54/53/52/357545352.db2.gz ZDMZJLCCVQMHEX-CHWSQXEVSA-N 1 3 287.404 -0.081 20 0 CBADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638983489 357549194 /nfs/dbraw/zinc/54/91/94/357549194.db2.gz AUCLULXNGRCDQB-IMRBUKKESA-N 1 3 287.367 -0.105 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028241 357554961 /nfs/dbraw/zinc/55/49/61/357554961.db2.gz XQOGDUZFFDFUPO-XQQFMLRXSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)C[C@@]1(O)CCCN(CC2(O)CCOCC2)C1 ZINC000639760984 357596481 /nfs/dbraw/zinc/59/64/81/357596481.db2.gz JUKFSRCDUVQXTC-AWEZNQCLSA-N 1 3 272.389 -0.084 20 0 CBADHO NC(=O)[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1C(N)=O ZINC000639843382 357603335 /nfs/dbraw/zinc/60/33/35/357603335.db2.gz FGUMCFCNTRVCCT-RYUDHWBXSA-N 1 3 282.388 -0.619 20 0 CBADHO CCN(CC)CCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845472 357604357 /nfs/dbraw/zinc/60/43/57/357604357.db2.gz LXTVEJXFUAFYPO-GHMZBOCLSA-N 1 3 270.377 -0.763 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943840 357620050 /nfs/dbraw/zinc/62/00/50/357620050.db2.gz GJYVRMDTALGWPB-BPNCWPANSA-N 1 3 283.372 -0.716 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943840 357620053 /nfs/dbraw/zinc/62/00/53/357620053.db2.gz GJYVRMDTALGWPB-BPNCWPANSA-N 1 3 283.372 -0.716 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943842 357620223 /nfs/dbraw/zinc/62/02/23/357620223.db2.gz GJYVRMDTALGWPB-LEWSCRJBSA-N 1 3 283.372 -0.716 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943842 357620226 /nfs/dbraw/zinc/62/02/26/357620226.db2.gz GJYVRMDTALGWPB-LEWSCRJBSA-N 1 3 283.372 -0.716 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](CN)C1 ZINC000641194525 357678443 /nfs/dbraw/zinc/67/84/43/357678443.db2.gz NSXYFCNMJCIKRT-TUAOUCFPSA-N 1 3 269.393 -0.459 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000641425252 357704620 /nfs/dbraw/zinc/70/46/20/357704620.db2.gz NPNVOXKRRNZFON-GFCCVEGCSA-N 1 3 297.403 -0.717 20 0 CBADHO CN(C)CC[N@H+](C)CCCNCc1cnc(N)nc1N ZINC000641775096 357741606 /nfs/dbraw/zinc/74/16/06/357741606.db2.gz KSWWDDPNQDTUFA-UHFFFAOYSA-N 1 3 281.408 -0.725 20 0 CBADHO CN(C)CC[N@@H+](C)CCCNCc1cnc(N)nc1N ZINC000641775096 357741612 /nfs/dbraw/zinc/74/16/12/357741612.db2.gz KSWWDDPNQDTUFA-UHFFFAOYSA-N 1 3 281.408 -0.725 20 0 CBADHO NS(=O)(=O)CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798639 357743337 /nfs/dbraw/zinc/74/33/37/357743337.db2.gz PAMNNRPTOWNENK-GARJFASQSA-N 1 3 261.391 -0.276 20 0 CBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCC(=O)N1CCNCC1 ZINC000641802091 357743989 /nfs/dbraw/zinc/74/39/89/357743989.db2.gz HWMUYBRAZWIMPX-QWRGUYRKSA-N 1 3 254.378 -0.476 20 0 CBADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000641802091 357743994 /nfs/dbraw/zinc/74/39/94/357743994.db2.gz HWMUYBRAZWIMPX-QWRGUYRKSA-N 1 3 254.378 -0.476 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642431140 357754002 /nfs/dbraw/zinc/75/40/02/357754002.db2.gz FHPUDYXIRMLGBY-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642431208 357754359 /nfs/dbraw/zinc/75/43/59/357754359.db2.gz WOYZXRIWIZBLBO-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642439936 357755196 /nfs/dbraw/zinc/75/51/96/357755196.db2.gz SIBRXZKRYVRAPY-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642439402 357755375 /nfs/dbraw/zinc/75/53/75/357755375.db2.gz FTKWEIPOKSRMRO-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000642439662 357755392 /nfs/dbraw/zinc/75/53/92/357755392.db2.gz NCUWNCSOBUAAQO-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000642644466 357758040 /nfs/dbraw/zinc/75/80/40/357758040.db2.gz MRULRRHKUMCCRA-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642712986 357759104 /nfs/dbraw/zinc/75/91/04/357759104.db2.gz ANBXBVUMVMFZQF-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642773291 357761548 /nfs/dbraw/zinc/76/15/48/357761548.db2.gz JXOJHXXYYJZSOH-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785843 357762644 /nfs/dbraw/zinc/76/26/44/357762644.db2.gz MSNWDOWVSBVUAS-OLZOCXBDSA-N 1 3 294.399 -0.560 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642801227 357763852 /nfs/dbraw/zinc/76/38/52/357763852.db2.gz JSJLWUZBBIMBIO-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902394 357765860 /nfs/dbraw/zinc/76/58/60/357765860.db2.gz RJRSDQCCMNBHMZ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642909754 357767595 /nfs/dbraw/zinc/76/75/95/357767595.db2.gz STIAIBHUFBBNIS-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000642909329 357767669 /nfs/dbraw/zinc/76/76/69/357767669.db2.gz KTRWIBOKFGAIFZ-QJPTWQEYSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642909928 357768524 /nfs/dbraw/zinc/76/85/24/357768524.db2.gz XPUIQYSMCODDLE-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642910503 357768929 /nfs/dbraw/zinc/76/89/29/357768929.db2.gz HPSRGBCDOGEFAX-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919126 357770355 /nfs/dbraw/zinc/77/03/55/357770355.db2.gz OZGBCWMISXHAQD-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642925944 357771670 /nfs/dbraw/zinc/77/16/70/357771670.db2.gz ZZYJJKQWOITEDJ-LBPRGKRZSA-N 1 3 280.372 -0.839 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000642954377 357773876 /nfs/dbraw/zinc/77/38/76/357773876.db2.gz QKPVTWXQODNVND-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000643471959 357784279 /nfs/dbraw/zinc/78/42/79/357784279.db2.gz XTZREIBCBOVNME-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419414615 283385071 /nfs/dbraw/zinc/38/50/71/283385071.db2.gz TZSGOHJVYGBSSH-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574084000 334991074 /nfs/dbraw/zinc/99/10/74/334991074.db2.gz KETMJZIVPQYRTH-SECBINFHSA-N 1 3 259.350 -0.290 20 0 CBADHO C[C@@H](CC(N)=O)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000341907358 216148099 /nfs/dbraw/zinc/14/80/99/216148099.db2.gz ZNWYEXNTILNMOF-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423677496 296026772 /nfs/dbraw/zinc/02/67/72/296026772.db2.gz KFGDKRCLMLUGDX-VXGBXAGGSA-N 1 3 284.404 -0.265 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000574276339 335006146 /nfs/dbraw/zinc/00/61/46/335006146.db2.gz XLYMBOBXGFRHTL-NEPJUHHUSA-N 1 3 271.361 -0.750 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288657 335007263 /nfs/dbraw/zinc/00/72/63/335007263.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 1 3 271.405 -0.296 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288657 335007265 /nfs/dbraw/zinc/00/72/65/335007265.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 1 3 271.405 -0.296 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC1 ZINC000331886929 204263539 /nfs/dbraw/zinc/26/35/39/204263539.db2.gz OUXXGDOAVKKHDR-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CNC(=O)NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174613 372767211 /nfs/dbraw/zinc/76/72/11/372767211.db2.gz YVUAMQCMEJMXFQ-UWVGGRQHSA-N 1 3 256.350 -0.109 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000166612150 372825994 /nfs/dbraw/zinc/82/59/94/372825994.db2.gz DTYIEBBCLNODOJ-KBPBESRZSA-N 1 3 280.416 -0.166 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000166612150 372825997 /nfs/dbraw/zinc/82/59/97/372825997.db2.gz DTYIEBBCLNODOJ-KBPBESRZSA-N 1 3 280.416 -0.166 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353446499 220089334 /nfs/dbraw/zinc/08/93/34/220089334.db2.gz JWPRCAGFIIARHT-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331665406 372998349 /nfs/dbraw/zinc/99/83/49/372998349.db2.gz QXAFOYUHQWYAPQ-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000333422284 373009809 /nfs/dbraw/zinc/00/98/09/373009809.db2.gz SRIHMWXKBNWBAB-QWHCGFSZSA-N 1 3 295.431 -0.184 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430223 205312478 /nfs/dbraw/zinc/31/24/78/205312478.db2.gz UKYMFWUVUNNATP-RYDUCSDGSA-N 1 3 282.388 -0.557 20 0 CBADHO C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N(C)C1CC1 ZINC000333458107 205336578 /nfs/dbraw/zinc/33/65/78/205336578.db2.gz YPZVJYJTMQDVAM-DLOVCJGASA-N 1 3 270.377 -0.557 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343616046 373050851 /nfs/dbraw/zinc/05/08/51/373050851.db2.gz KAOAVXFIXFXDME-CHWSQXEVSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333490469 205368417 /nfs/dbraw/zinc/36/84/17/205368417.db2.gz DFEMGRQAMUUCNL-QJPTWQEYSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029325 373086812 /nfs/dbraw/zinc/08/68/12/373086812.db2.gz QLTSJAQAXIMMOT-ZWNOBZJWSA-N 1 3 267.373 -0.036 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000353553274 220154289 /nfs/dbraw/zinc/15/42/89/220154289.db2.gz QURMMSWGPDIBEB-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351541011 373098231 /nfs/dbraw/zinc/09/82/31/373098231.db2.gz PAJYJBXDJROKBG-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](CC(N)=O)[NH2+]CCCN1CCCN(C)CC1 ZINC000361183399 373265149 /nfs/dbraw/zinc/26/51/49/373265149.db2.gz UVCWYXOIAAVCSF-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000362066425 373364007 /nfs/dbraw/zinc/36/40/07/373364007.db2.gz NJHHYBFCTGCNLB-GFCCVEGCSA-N 1 3 268.405 -0.119 20 0 CBADHO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000362066428 373364547 /nfs/dbraw/zinc/36/45/47/373364547.db2.gz NJHHYBFCTGCNLB-LBPRGKRZSA-N 1 3 268.405 -0.119 20 0 CBADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291995 373575966 /nfs/dbraw/zinc/57/59/66/373575966.db2.gz OLJFBDSPLKMBKL-LOWDOPEQSA-N 1 3 267.373 -0.206 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417442551 373628385 /nfs/dbraw/zinc/62/83/85/373628385.db2.gz VBNDEMPBFFWZND-CQSZACIVSA-N 1 3 284.404 -0.040 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCN[C@H](C)C1 ZINC000417438624 373629652 /nfs/dbraw/zinc/62/96/52/373629652.db2.gz JXRXCKIWDCOQIG-LLVKDONJSA-N 1 3 258.366 -0.432 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCN[C@H](C)C1 ZINC000417438624 373629657 /nfs/dbraw/zinc/62/96/57/373629657.db2.gz JXRXCKIWDCOQIG-LLVKDONJSA-N 1 3 258.366 -0.432 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417440844 373629674 /nfs/dbraw/zinc/62/96/74/373629674.db2.gz PDXPMNQJKULKRM-NEPJUHHUSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417438626 373629759 /nfs/dbraw/zinc/62/97/59/373629759.db2.gz JXSRRDQQMYMZSC-LLVKDONJSA-N 1 3 258.366 -0.399 20 0 CBADHO [NH3+][C@H](CNC(=O)NC[C@H]1CCCCN1CCO)C1CC1 ZINC000418494362 373631604 /nfs/dbraw/zinc/63/16/04/373631604.db2.gz XSZZPDNRPRICAU-CHWSQXEVSA-N 1 3 284.404 -0.130 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419586411 373640911 /nfs/dbraw/zinc/64/09/11/373640911.db2.gz MWIUAUHUNYADOT-ZYHUDNBSSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419874532 373642856 /nfs/dbraw/zinc/64/28/56/373642856.db2.gz WBWJLTDZVFGUQS-STQMWFEESA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419999775 373645844 /nfs/dbraw/zinc/64/58/44/373645844.db2.gz SMAZCOWJZLKNNU-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)N(C)C ZINC000433376693 373675161 /nfs/dbraw/zinc/67/51/61/373675161.db2.gz OKMODAQFVDZMLW-QWRGUYRKSA-N 1 3 280.376 -0.118 20 0 CBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479276760 373698507 /nfs/dbraw/zinc/69/85/07/373698507.db2.gz YQOCELAMSDVQCB-IRCOFANPSA-N 1 3 253.346 -0.596 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000514596463 373755667 /nfs/dbraw/zinc/75/56/67/373755667.db2.gz VGCYDZTWKYLHAX-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000514673725 373759934 /nfs/dbraw/zinc/75/99/34/373759934.db2.gz JLWXPRZZIOJICD-ONGXEEELSA-N 1 3 270.377 -0.657 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000516285755 373809420 /nfs/dbraw/zinc/80/94/20/373809420.db2.gz YGNVSCQHRIEEQS-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000516285754 373809582 /nfs/dbraw/zinc/80/95/82/373809582.db2.gz YGNVSCQHRIEEQS-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO O=C(CC1CC[NH2+]CC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000516287697 373809946 /nfs/dbraw/zinc/80/99/46/373809946.db2.gz LLJWZWDYXVBDGM-UHFFFAOYSA-N 1 3 293.375 -0.458 20 0 CBADHO C[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1[NH3+] ZINC000516650515 373817713 /nfs/dbraw/zinc/81/77/13/373817713.db2.gz ORGDCSPGAOGKFN-IJLUTSLNSA-N 1 3 254.378 -0.537 20 0 CBADHO O=C(C[C@@H]1CSCCN1)NC[C@H]1C[NH2+]CCCO1 ZINC000520228436 373829914 /nfs/dbraw/zinc/82/99/14/373829914.db2.gz MAFLZMOEZAVCRE-GHMZBOCLSA-N 1 3 273.402 -0.424 20 0 CBADHO O=C(C[C@H]1CSCCN1)NC[C@H]1C[NH2+]CCCO1 ZINC000520228439 373830360 /nfs/dbraw/zinc/83/03/60/373830360.db2.gz MAFLZMOEZAVCRE-WDEREUQCSA-N 1 3 273.402 -0.424 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000520219124 373830507 /nfs/dbraw/zinc/83/05/07/373830507.db2.gz VREIQQGXYLICCJ-KBPBESRZSA-N 1 3 276.384 -0.424 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380721 373787097 /nfs/dbraw/zinc/78/70/97/373787097.db2.gz FOHUDEQIDIRALM-JQWIXIFHSA-N 1 3 292.387 -0.161 20 0 CBADHO C[C@@H]1C[NH2+]CCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000515845428 373798373 /nfs/dbraw/zinc/79/83/73/373798373.db2.gz GEHYDSYKLKVFDC-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000521441376 373841411 /nfs/dbraw/zinc/84/14/11/373841411.db2.gz NNTWKWSZWVRCPN-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CN1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](CN)C1 ZINC000521986469 373853113 /nfs/dbraw/zinc/85/31/13/373853113.db2.gz HFWGIHKHBYPKQO-OCCSQVGLSA-N 1 3 283.420 -0.340 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOC2(CNC2)C1 ZINC000529351207 374008230 /nfs/dbraw/zinc/00/82/30/374008230.db2.gz RDMPGYNAJIHNDF-LLVKDONJSA-N 1 3 280.372 -0.345 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529343592 374008575 /nfs/dbraw/zinc/00/85/75/374008575.db2.gz QFFWQPHQOXIBAJ-QWRGUYRKSA-N 1 3 268.361 -0.441 20 0 CBADHO O=C(N1CCNCC1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000530221522 374066483 /nfs/dbraw/zinc/06/64/83/374066483.db2.gz FRQWYCFRWNEWHQ-CQSZACIVSA-N 1 3 295.431 -0.371 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COCCO1 ZINC000531118516 374117519 /nfs/dbraw/zinc/11/75/19/374117519.db2.gz GRNCCGKKOQYGNW-LBPRGKRZSA-N 1 3 273.377 -0.646 20 0 CBADHO CC(=O)N1CC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530680587 374093319 /nfs/dbraw/zinc/09/33/19/374093319.db2.gz NMNRCGZJCXMRQJ-AWEZNQCLSA-N 1 3 298.431 -0.193 20 0 CBADHO COC[C@@]1(C(=O)N[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000583262909 374357233 /nfs/dbraw/zinc/35/72/33/374357233.db2.gz UYEHQAIWQYDPMA-GXSJLCMTSA-N 1 3 277.315 -0.274 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@H]2C1 ZINC000583320413 374361576 /nfs/dbraw/zinc/36/15/76/374361576.db2.gz SJDHNZUCBGZMQR-YPMHNXCESA-N 1 3 267.373 -0.083 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000583753155 374365537 /nfs/dbraw/zinc/36/55/37/374365537.db2.gz PRWXJBOFPDNMOB-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583764175 374366806 /nfs/dbraw/zinc/36/68/06/374366806.db2.gz ZHGXCUCTXTZNCM-SRVKXCTJSA-N 1 3 254.378 -0.396 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000583811085 374367428 /nfs/dbraw/zinc/36/74/28/374367428.db2.gz AHGYYYXAPFRHAD-SNVBAGLBSA-N 1 3 268.361 -0.948 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000644141989 374492257 /nfs/dbraw/zinc/49/22/57/374492257.db2.gz XOAHICJHJBZYCX-GARJFASQSA-N 1 3 296.350 -0.368 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000574524531 335026863 /nfs/dbraw/zinc/02/68/63/335026863.db2.gz DQSNKPIEVZDNTB-KBPBESRZSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000574524531 335026864 /nfs/dbraw/zinc/02/68/64/335026864.db2.gz DQSNKPIEVZDNTB-KBPBESRZSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000574524531 335026865 /nfs/dbraw/zinc/02/68/65/335026865.db2.gz DQSNKPIEVZDNTB-KBPBESRZSA-N 1 3 271.405 -0.389 20 0 CBADHO CN(CC[NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CC1 ZINC000644527970 374591023 /nfs/dbraw/zinc/59/10/23/374591023.db2.gz HSRDGOLTWMYQGC-CQSZACIVSA-N 1 3 270.421 -0.722 20 0 CBADHO COCCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000644554023 374592362 /nfs/dbraw/zinc/59/23/62/374592362.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554023 374592368 /nfs/dbraw/zinc/59/23/68/374592368.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554023 374592375 /nfs/dbraw/zinc/59/23/75/374592375.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000644548886 374593288 /nfs/dbraw/zinc/59/32/88/374593288.db2.gz UHKGZQNYNMNYBY-ZFWWWQNUSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000644548886 374593290 /nfs/dbraw/zinc/59/32/90/374593290.db2.gz UHKGZQNYNMNYBY-ZFWWWQNUSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000644548886 374593294 /nfs/dbraw/zinc/59/32/94/374593294.db2.gz UHKGZQNYNMNYBY-ZFWWWQNUSA-N 1 3 284.448 -0.333 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000644556623 374594737 /nfs/dbraw/zinc/59/47/37/374594737.db2.gz HQDWBSKLKPKULI-JKSUJKDBSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000644556623 374594745 /nfs/dbraw/zinc/59/47/45/374594745.db2.gz HQDWBSKLKPKULI-JKSUJKDBSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000644556623 374594751 /nfs/dbraw/zinc/59/47/51/374594751.db2.gz HQDWBSKLKPKULI-JKSUJKDBSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000644556616 374595167 /nfs/dbraw/zinc/59/51/67/374595167.db2.gz HQDWBSKLKPKULI-CVEARBPZSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000644556616 374595170 /nfs/dbraw/zinc/59/51/70/374595170.db2.gz HQDWBSKLKPKULI-CVEARBPZSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000644556616 374595174 /nfs/dbraw/zinc/59/51/74/374595174.db2.gz HQDWBSKLKPKULI-CVEARBPZSA-N 1 3 296.459 -0.331 20 0 CBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602938 374600680 /nfs/dbraw/zinc/60/06/80/374600680.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602938 374600687 /nfs/dbraw/zinc/60/06/87/374600687.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602938 374600694 /nfs/dbraw/zinc/60/06/94/374600694.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 1 3 271.405 -0.250 20 0 CBADHO CC[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646002862 374724565 /nfs/dbraw/zinc/72/45/65/374724565.db2.gz HTNNIGDGAPAWLK-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO CC[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002862 374724572 /nfs/dbraw/zinc/72/45/72/374724572.db2.gz HTNNIGDGAPAWLK-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)COCC[NH3+])CC2)C1 ZINC000646002757 374725060 /nfs/dbraw/zinc/72/50/60/374725060.db2.gz BSWZBVQHRLJCCO-ZDUSSCGKSA-N 1 3 284.404 -0.800 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)C1 ZINC000646003127 374725309 /nfs/dbraw/zinc/72/53/09/374725309.db2.gz SVPXLQZNELRBIA-CHWSQXEVSA-N 1 3 266.389 -0.413 20 0 CBADHO CN(C)C[C@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646116445 374741999 /nfs/dbraw/zinc/74/19/99/374741999.db2.gz WYQWDOYSNZOQTN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](CN)C1 ZINC000646833253 374821913 /nfs/dbraw/zinc/82/19/13/374821913.db2.gz XSAHSPCFHDRGCZ-NTZNESFSSA-N 1 3 252.362 -0.913 20 0 CBADHO CC(C)[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)CCN1 ZINC000646329472 374771083 /nfs/dbraw/zinc/77/10/83/374771083.db2.gz DNVJLIMANPDERZ-LLVKDONJSA-N 1 3 280.376 -0.303 20 0 CBADHO CC1(C)CN[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363890 374774437 /nfs/dbraw/zinc/77/44/37/374774437.db2.gz KCRCKGYLJKRKNX-VXGBXAGGSA-N 1 3 266.389 -0.510 20 0 CBADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000646408241 374776504 /nfs/dbraw/zinc/77/65/04/374776504.db2.gz VSVOZVMSNPQVGT-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO NCc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000646578818 374790503 /nfs/dbraw/zinc/79/05/03/374790503.db2.gz GNLVXNWAKOHFJP-GFCCVEGCSA-N 1 3 276.340 -0.048 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000647058145 374877057 /nfs/dbraw/zinc/87/70/57/374877057.db2.gz QGJJUJNJFFCLDF-AXFHLTTASA-N 1 3 296.350 -0.540 20 0 CBADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CCNCC1 ZINC000647082841 374882650 /nfs/dbraw/zinc/88/26/50/374882650.db2.gz NUYKDXRTVHQLLU-NWDGAFQWSA-N 1 3 268.405 -0.086 20 0 CBADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CNCCO1 ZINC000647086635 374883937 /nfs/dbraw/zinc/88/39/37/374883937.db2.gz NYZPFHFZXXWQCY-LBPRGKRZSA-N 1 3 255.362 -0.129 20 0 CBADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CNCCO1 ZINC000647086474 374884355 /nfs/dbraw/zinc/88/43/55/374884355.db2.gz QBKMAUNNPAVOPG-IJLUTSLNSA-N 1 3 255.362 -0.001 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CC3(C)C)C[C@H]2N)cn1 ZINC000647096390 374886259 /nfs/dbraw/zinc/88/62/59/374886259.db2.gz PSYOGMDYHQNGGZ-TUAOUCFPSA-N 1 3 277.372 -0.329 20 0 CBADHO NCc1nnc(-c2ccc(NC(=O)COCC[NH3+])cc2)[nH]1 ZINC000647001651 374858807 /nfs/dbraw/zinc/85/88/07/374858807.db2.gz HOXBLPZWUYXVQV-UHFFFAOYSA-N 1 3 290.327 -0.156 20 0 CBADHO C[C@H]1CN(CCOCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000357082085 248319402 /nfs/dbraw/zinc/31/94/02/248319402.db2.gz OOCJJNKGPYKNPE-STQMWFEESA-N 1 3 257.378 -0.386 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[NH2+]C)CC1 ZINC000357236357 248337635 /nfs/dbraw/zinc/33/76/35/248337635.db2.gz CTEZYNJCIYVQFH-UHFFFAOYSA-N 1 3 284.404 -0.392 20 0 CBADHO CCN1CCN(CCCNC(=O)CC[NH2+]C)CC1 ZINC000357237248 248338401 /nfs/dbraw/zinc/33/84/01/248338401.db2.gz GWYJZDKEFTVZFI-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CC[NH+]1CCN(CCCNC(=O)C[C@@H]2COCCN2)CC1 ZINC000357246088 248341065 /nfs/dbraw/zinc/34/10/65/248341065.db2.gz XCQSIRSULNJGAZ-CQSZACIVSA-N 1 3 298.431 -0.491 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419741290 284627471 /nfs/dbraw/zinc/62/74/71/284627471.db2.gz YYNCYPVGVMHWJP-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CN1CCC(O)(CNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000492040245 248883526 /nfs/dbraw/zinc/88/35/26/248883526.db2.gz KYMBWALOIGIYKG-SNAWJCMRSA-N 1 3 255.362 -0.323 20 0 CBADHO CC(C)([NH3+])CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000347128245 218130863 /nfs/dbraw/zinc/13/08/63/218130863.db2.gz PDZCBWCIDKUMNR-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000279080673 194275653 /nfs/dbraw/zinc/27/56/53/194275653.db2.gz VCXLVMYALBKVLH-SNVBAGLBSA-N 1 3 263.345 -0.126 20 0 CBADHO CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000279080672 194275816 /nfs/dbraw/zinc/27/58/16/194275816.db2.gz VCXLVMYALBKVLH-JTQLQIEISA-N 1 3 263.345 -0.126 20 0 CBADHO O=C1CCN(CCCCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000157873572 296322913 /nfs/dbraw/zinc/32/29/13/296322913.db2.gz SMLUGALINGROMM-UHFFFAOYSA-N 1 3 296.415 -0.200 20 0 CBADHO O=C1CCN(CCCCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000157873572 296322916 /nfs/dbraw/zinc/32/29/16/296322916.db2.gz SMLUGALINGROMM-UHFFFAOYSA-N 1 3 296.415 -0.200 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H](C)N1 ZINC000153578940 207381625 /nfs/dbraw/zinc/38/16/25/207381625.db2.gz GJWPRVTWUUZURM-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)(C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167409568 207397181 /nfs/dbraw/zinc/39/71/81/207397181.db2.gz CBSJLBHBVCKIAU-UHFFFAOYSA-N 1 3 296.415 -0.262 20 0 CBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCCNCC1 ZINC000418998507 207631392 /nfs/dbraw/zinc/63/13/92/207631392.db2.gz MQEOHOAVUZDASU-UHFFFAOYSA-N 1 3 296.415 -0.200 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1[NH3+] ZINC000419065554 207639224 /nfs/dbraw/zinc/63/92/24/207639224.db2.gz AIFFCGBMIXSVOV-MWLCHTKSSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)C[C@H]1[NH3+] ZINC000419415039 207689236 /nfs/dbraw/zinc/68/92/36/207689236.db2.gz ULZZUFSWUUBYCI-CHWSQXEVSA-N 1 3 296.415 -0.360 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417567430 285025113 /nfs/dbraw/zinc/02/51/13/285025113.db2.gz NNUVYHRGZBXABY-GHMZBOCLSA-N 1 3 258.366 -0.256 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419936871 207762764 /nfs/dbraw/zinc/76/27/64/207762764.db2.gz LVMPGLYDLRNROV-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000419978168 207770869 /nfs/dbraw/zinc/77/08/69/207770869.db2.gz NUVZWBIOISDFON-TUAOUCFPSA-N 1 3 284.404 -0.633 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000262823023 285031750 /nfs/dbraw/zinc/03/17/50/285031750.db2.gz GZZHSGBVDVILDM-RYUDHWBXSA-N 1 3 273.377 -0.423 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000246218375 285036622 /nfs/dbraw/zinc/03/66/22/285036622.db2.gz GLBYHYRVGNYARK-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422967721 207867571 /nfs/dbraw/zinc/86/75/71/207867571.db2.gz CHNRPGCRAIEZDS-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCC[C@H](N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424233800 207976650 /nfs/dbraw/zinc/97/66/50/207976650.db2.gz JMOFTYZXJSEAHD-SDDRHHMPSA-N 1 3 265.361 -0.199 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427270795 208058124 /nfs/dbraw/zinc/05/81/24/208058124.db2.gz XZCJLJPGXDTFKU-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[C@@H]1[NH3+] ZINC000429166131 208112181 /nfs/dbraw/zinc/11/21/81/208112181.db2.gz UGCZKEIEPHMTBY-AGIUHOORSA-N 1 3 296.415 -0.408 20 0 CBADHO CNS(=O)(=O)CCCN[C@](C)(C[NH3+])C(C)C ZINC000430578790 208165400 /nfs/dbraw/zinc/16/54/00/208165400.db2.gz FRAWANDEJZZHIR-SNVBAGLBSA-N 1 3 251.396 -0.111 20 0 CBADHO O=C(COC1CNC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000430673483 208170823 /nfs/dbraw/zinc/17/08/23/208170823.db2.gz CYAFUPLPVQTLTK-NWDGAFQWSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(COC1CNC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430673483 208170828 /nfs/dbraw/zinc/17/08/28/208170828.db2.gz CYAFUPLPVQTLTK-NWDGAFQWSA-N 1 3 253.346 -0.282 20 0 CBADHO C[N@@H+]1CC[C@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430695275 208171329 /nfs/dbraw/zinc/17/13/29/208171329.db2.gz MPAKNIYRVWKMMR-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CC[C@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430695275 208171336 /nfs/dbraw/zinc/17/13/36/208171336.db2.gz MPAKNIYRVWKMMR-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO O=C(COC1CNC1)NC1CC[NH+](CC2CC2)CC1 ZINC000430694731 208172557 /nfs/dbraw/zinc/17/25/57/208172557.db2.gz LCLOXRJSSDVMJY-UHFFFAOYSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CN)cc1 ZINC000430706623 208173557 /nfs/dbraw/zinc/17/35/57/208173557.db2.gz DKTBBSFMUDFYCX-UHFFFAOYSA-N 1 3 278.356 -0.447 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430711721 208176193 /nfs/dbraw/zinc/17/61/93/208176193.db2.gz GCDSCGUREZAPRX-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000368617142 285075328 /nfs/dbraw/zinc/07/53/28/285075328.db2.gz YLYOFDNVZHXWMF-SDDRHHMPSA-N 1 3 255.362 -0.192 20 0 CBADHO CC[C@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000430792597 208180537 /nfs/dbraw/zinc/18/05/37/208180537.db2.gz RXCGLUBBCLNSTP-NSHDSACASA-N 1 3 296.375 -0.763 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000430920823 208189638 /nfs/dbraw/zinc/18/96/38/208189638.db2.gz QGWFEUAXUHVMNZ-RYUDHWBXSA-N 1 3 255.362 -0.096 20 0 CBADHO CNS(=O)(=O)CCCN1CCC(C[NH2+]C)CC1 ZINC000430968904 208194641 /nfs/dbraw/zinc/19/46/41/208194641.db2.gz XUZRFBSUQFVDHL-UHFFFAOYSA-N 1 3 263.407 -0.143 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H]1CNCCO1 ZINC000431017346 208198072 /nfs/dbraw/zinc/19/80/72/208198072.db2.gz PUTKSEROVOFIJA-OLZOCXBDSA-N 1 3 287.404 -0.162 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000431007975 208198815 /nfs/dbraw/zinc/19/88/15/208198815.db2.gz WZKOTVQKYJKXDZ-QWHCGFSZSA-N 1 3 270.421 -0.031 20 0 CBADHO CN1CC[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375254 208243883 /nfs/dbraw/zinc/24/38/83/208243883.db2.gz HCZPYJGXSJVWDX-NEPJUHHUSA-N 1 3 292.387 -0.116 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434876557 208271303 /nfs/dbraw/zinc/27/13/03/208271303.db2.gz YSHDDNPTTGHEMC-RYUDHWBXSA-N 1 3 287.429 -0.082 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434876548 208273033 /nfs/dbraw/zinc/27/30/33/208273033.db2.gz YSHDDNPTTGHEMC-NEPJUHHUSA-N 1 3 287.429 -0.082 20 0 CBADHO CN(C)CCNC(=O)C1(C(=O)NCC[NH+](C)C)CCC1 ZINC000443389208 208387268 /nfs/dbraw/zinc/38/72/68/208387268.db2.gz REYDGASHKLLYQJ-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CC1[C@@H](C(=O)NCCN(C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000449078078 208495588 /nfs/dbraw/zinc/49/55/88/208495588.db2.gz UGMGQWPVOCZBPV-VXGBXAGGSA-N 1 3 284.404 -0.776 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1CN ZINC000574862100 335052932 /nfs/dbraw/zinc/05/29/32/335052932.db2.gz CPPMGIVNBIHIDX-RYUDHWBXSA-N 1 3 271.409 -0.356 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419985127 285232821 /nfs/dbraw/zinc/23/28/21/285232821.db2.gz WLGMHARYVVYOAJ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011283 285256171 /nfs/dbraw/zinc/25/61/71/285256171.db2.gz YQJTXITZNLIWDO-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000420172441 285611648 /nfs/dbraw/zinc/61/16/48/285611648.db2.gz PLBLIXNZGNYWPX-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](C(N)=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370415 289392877 /nfs/dbraw/zinc/39/28/77/289392877.db2.gz RHZAOOBIHCVSNX-DGCLKSJQSA-N 1 3 268.405 -0.040 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417748079 292337312 /nfs/dbraw/zinc/33/73/12/292337312.db2.gz HYRDJDZISGQFFW-GFCCVEGCSA-N 1 3 272.393 -0.009 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@H]1[NH+](C)C ZINC000124718777 296775268 /nfs/dbraw/zinc/77/52/68/296775268.db2.gz IVPBLLOWFNAMES-VXGBXAGGSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C(=O)CN1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000020521294 171234287 /nfs/dbraw/zinc/23/42/87/171234287.db2.gz IUKPDBIJICTBAR-UHFFFAOYSA-N 1 3 254.378 -0.556 20 0 CBADHO N[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662749098 413991140 /nfs/dbraw/zinc/99/11/40/413991140.db2.gz KDNWUNKFDUAZCE-GMTAPVOTSA-N 1 3 286.351 -0.858 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751284 413993415 /nfs/dbraw/zinc/99/34/15/413993415.db2.gz YPIOJKUIEJNFSI-ZJUUUORDSA-N 1 3 279.344 -0.355 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419412065 287348871 /nfs/dbraw/zinc/34/88/71/287348871.db2.gz QLCZTSSZKDZJTP-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(C2CC2)C1 ZINC000354694009 227074372 /nfs/dbraw/zinc/07/43/72/227074372.db2.gz PSTGQGIQYXMZBW-YPMHNXCESA-N 1 3 294.399 -0.402 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089698823 544436887 /nfs/dbraw/zinc/43/68/87/544436887.db2.gz IUWCQQGJFSQLMI-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO C[N@@H+]1CCC[C@@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061727 544447131 /nfs/dbraw/zinc/44/71/31/544447131.db2.gz UQMBKRMGEKSLDD-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061727 544447134 /nfs/dbraw/zinc/44/71/34/544447134.db2.gz UQMBKRMGEKSLDD-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH+]1CCC(CNC(=O)COC2(C)CNC2)CC1 ZINC000098061726 544447232 /nfs/dbraw/zinc/44/72/32/544447232.db2.gz XSGMROJRMGCJKK-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH+]1CCC(NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000109041863 544448393 /nfs/dbraw/zinc/44/83/93/544448393.db2.gz DLHYLBHCEALSBH-UHFFFAOYSA-N 1 3 263.407 -0.002 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000226868559 544493456 /nfs/dbraw/zinc/49/34/56/544493456.db2.gz WTKZZIXMQNCYNR-WHOHXGKFSA-N 1 3 255.362 -0.038 20 0 CBADHO CC(C)NC(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000228361356 544497024 /nfs/dbraw/zinc/49/70/24/544497024.db2.gz IZGDUIIDWTVREI-LBPRGKRZSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)CCN1C ZINC000156146398 544472573 /nfs/dbraw/zinc/47/25/73/544472573.db2.gz LOHCEORHQOZSRB-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000262210383 544519238 /nfs/dbraw/zinc/51/92/38/544519238.db2.gz SYWDEELWKYJZMW-MDZLAQPJSA-N 1 3 284.404 -0.328 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037631644 419409867 /nfs/dbraw/zinc/40/98/67/419409867.db2.gz QDGCCLRCNYENGY-OLZOCXBDSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037631644 419409882 /nfs/dbraw/zinc/40/98/82/419409882.db2.gz QDGCCLRCNYENGY-OLZOCXBDSA-N 1 3 266.389 -0.365 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000061645135 419456812 /nfs/dbraw/zinc/45/68/12/419456812.db2.gz PVXMOTWURLEHDP-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000062973522 419458041 /nfs/dbraw/zinc/45/80/41/419458041.db2.gz VIPJYKOJHJERSD-AWEZNQCLSA-N 1 3 280.416 -0.022 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000061645136 419458420 /nfs/dbraw/zinc/45/84/20/419458420.db2.gz PVXMOTWURLEHDP-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO CCN1CCN(CCCNC(=O)CCC[NH3+])CC1 ZINC000082257104 419466495 /nfs/dbraw/zinc/46/64/95/419466495.db2.gz LGLKAZXZZWWYAX-UHFFFAOYSA-N 1 3 256.394 -0.131 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000082258032 419471388 /nfs/dbraw/zinc/47/13/88/419471388.db2.gz AMDVHNPYMNYZCY-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO CNCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000193129874 419542728 /nfs/dbraw/zinc/54/27/28/419542728.db2.gz KWWKVKVCWBKDLW-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CNCC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000193129874 419542739 /nfs/dbraw/zinc/54/27/39/419542739.db2.gz KWWKVKVCWBKDLW-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262944 419568130 /nfs/dbraw/zinc/56/81/30/419568130.db2.gz YLDVTRUSECFPTM-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO CCN1CC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244513 419556579 /nfs/dbraw/zinc/55/65/79/419556579.db2.gz RAFGYSHIIASIGT-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO O=C([C@@H]1CCC[N@H+](C[C@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243513 419557827 /nfs/dbraw/zinc/55/78/27/419557827.db2.gz MKUZDCKRDNITRL-ZIAGYGMSSA-N 1 3 296.415 -0.881 20 0 CBADHO O=C([C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243513 419557834 /nfs/dbraw/zinc/55/78/34/419557834.db2.gz MKUZDCKRDNITRL-ZIAGYGMSSA-N 1 3 296.415 -0.881 20 0 CBADHO CCN1CC[C@@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244517 419559858 /nfs/dbraw/zinc/55/98/58/419559858.db2.gz RAFGYSHIIASIGT-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO [NH3+]CCCOC1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662247676 419561160 /nfs/dbraw/zinc/56/11/60/419561160.db2.gz JAMURTLVLKQPIB-ZDUSSCGKSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@H](CNC(=O)COC1(C)CNC1)[N@H+](C)C1CC1 ZINC000219044080 419565060 /nfs/dbraw/zinc/56/50/60/419565060.db2.gz FUZNFTVXTGQYNJ-SNVBAGLBSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](CNC(=O)COC1(C)CNC1)[N@@H+](C)C1CC1 ZINC000219044080 419565067 /nfs/dbraw/zinc/56/50/67/419565067.db2.gz FUZNFTVXTGQYNJ-SNVBAGLBSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CN1C1CC1 ZINC000662539651 419633556 /nfs/dbraw/zinc/63/35/56/419633556.db2.gz GWAOCUOFAWPTBB-NXEZZACHSA-N 1 3 278.360 -0.408 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC[NH3+] ZINC000237027616 419575349 /nfs/dbraw/zinc/57/53/49/419575349.db2.gz WNWKUBHIFFMRDL-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662314321 419585186 /nfs/dbraw/zinc/58/51/86/419585186.db2.gz DVPHOPQOMHBKAK-JQWIXIFHSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662314321 419585190 /nfs/dbraw/zinc/58/51/90/419585190.db2.gz DVPHOPQOMHBKAK-JQWIXIFHSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(C)C(=O)N(C)[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000662317207 419587394 /nfs/dbraw/zinc/58/73/94/419587394.db2.gz NREBDFOLEQQEPY-LLVKDONJSA-N 1 3 258.366 -0.351 20 0 CBADHO CN[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662340754 419588318 /nfs/dbraw/zinc/58/83/18/419588318.db2.gz HOCNMTQQXWEQNR-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CCC[C@@H]([NH3+])C2)C1 ZINC000647482262 419592201 /nfs/dbraw/zinc/59/22/01/419592201.db2.gz RFXWWTOYCUAWOB-VXGBXAGGSA-N 1 3 254.378 -0.393 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534024 419601627 /nfs/dbraw/zinc/60/16/27/419601627.db2.gz DREBDJNWPWKAAV-RDBSUJKOSA-N 1 3 280.416 -0.133 20 0 CBADHO C[NH2+]C[C@H](O)CNC[C@H](O)CN(C)Cc1ccccc1 ZINC000647526525 419601707 /nfs/dbraw/zinc/60/17/07/419601707.db2.gz APXABEDMIXEIAE-GJZGRUSLSA-N 1 3 281.400 -0.351 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542308 419606292 /nfs/dbraw/zinc/60/62/92/419606292.db2.gz OGUBTHNPDAYHLJ-MGPQQGTHSA-N 1 3 280.416 -0.133 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662441604 419606982 /nfs/dbraw/zinc/60/69/82/419606982.db2.gz KSOCAJDYIHYYPF-LLVKDONJSA-N 1 3 296.375 -0.923 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662453646 419609727 /nfs/dbraw/zinc/60/97/27/419609727.db2.gz DAHQVAPMMDYEQV-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@H](NC(=O)COC1(C)CNC1)[C@@H]1CCC[NH2+]C1 ZINC000647723928 419640315 /nfs/dbraw/zinc/64/03/15/419640315.db2.gz AUWSDAQNLVMPFW-WDEREUQCSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443109 419612936 /nfs/dbraw/zinc/61/29/36/419612936.db2.gz LWPUVFXJPYMWRB-DGCLKSJQSA-N 1 3 294.399 -0.144 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443109 419612941 /nfs/dbraw/zinc/61/29/41/419612941.db2.gz LWPUVFXJPYMWRB-DGCLKSJQSA-N 1 3 294.399 -0.144 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000647595163 419619286 /nfs/dbraw/zinc/61/92/86/419619286.db2.gz QXFWTSHKBWNOKP-LOWVWBTDSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000647594965 419620682 /nfs/dbraw/zinc/62/06/82/419620682.db2.gz BFNXUASTMRCRFD-HBNTYKKESA-N 1 3 284.404 -0.173 20 0 CBADHO COC1(C(=O)NCCOCCN(C)C)CC[NH2+]CC1 ZINC000311548417 419621124 /nfs/dbraw/zinc/62/11/24/419621124.db2.gz KYZBMNVEFDUYJU-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000647606008 419623797 /nfs/dbraw/zinc/62/37/97/419623797.db2.gz XEPJKSASDUUOIR-YPMHNXCESA-N 1 3 284.404 -0.456 20 0 CBADHO COCCN(C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000311854134 419625969 /nfs/dbraw/zinc/62/59/69/419625969.db2.gz JBCIFLGMQARQBG-ZDUSSCGKSA-N 1 3 273.377 -0.693 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000647640507 419627493 /nfs/dbraw/zinc/62/74/93/419627493.db2.gz OBBCSTZMYCSFMT-MNOVXSKESA-N 1 3 268.361 -0.806 20 0 CBADHO C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N(C)C ZINC000662527669 419629936 /nfs/dbraw/zinc/62/99/36/419629936.db2.gz XRDZBEWAZXPEBP-SNVBAGLBSA-N 1 3 280.376 -0.118 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000662640604 419661570 /nfs/dbraw/zinc/66/15/70/419661570.db2.gz TUZYRNGAJNIIKY-OXIWPEFWSA-N 1 3 267.373 -0.003 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647818207 419661603 /nfs/dbraw/zinc/66/16/03/419661603.db2.gz CTEBZNCEUVJFDM-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@H](C[NH3+])C2)CC1 ZINC000647830265 419664148 /nfs/dbraw/zinc/66/41/48/419664148.db2.gz FCSYPAJOJPHFKT-GFCCVEGCSA-N 1 3 254.378 -0.569 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659223 419672967 /nfs/dbraw/zinc/67/29/67/419672967.db2.gz JSHDTIIBIZBYQK-SNVBAGLBSA-N 1 3 258.366 -0.798 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000662659556 419675792 /nfs/dbraw/zinc/67/57/92/419675792.db2.gz NJCCYDUCURPCLH-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)[C@H](C[NH3+])C1 ZINC000647874211 419680766 /nfs/dbraw/zinc/68/07/66/419680766.db2.gz IMHAKJVDTTXVLD-ZJUUUORDSA-N 1 3 276.331 -0.668 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)NCCCN2CCC(O)CC2)C1 ZINC000662680531 419681030 /nfs/dbraw/zinc/68/10/30/419681030.db2.gz IRYARYZAOIVOAL-XYPYZODXSA-N 1 3 255.362 -0.313 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC[N@@H+]1C ZINC000647874486 419681609 /nfs/dbraw/zinc/68/16/09/419681609.db2.gz ZSXAAOBIVIZQEM-IJLUTSLNSA-N 1 3 254.378 -0.572 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC[N@H+]1C ZINC000647874486 419681615 /nfs/dbraw/zinc/68/16/15/419681615.db2.gz ZSXAAOBIVIZQEM-IJLUTSLNSA-N 1 3 254.378 -0.572 20 0 CBADHO COCCN(C)CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662685879 419682658 /nfs/dbraw/zinc/68/26/58/419682658.db2.gz ZYHVHEBTHDMUHS-RYUDHWBXSA-N 1 3 273.377 -0.565 20 0 CBADHO [NH3+]CCOCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882233 419683105 /nfs/dbraw/zinc/68/31/05/419683105.db2.gz ZICWKJKKUCDJFR-LLVKDONJSA-N 1 3 256.350 -0.549 20 0 CBADHO CC1([NH3+])CCN(CCC(=O)N2CCNCC2)CC1 ZINC000647924930 419694495 /nfs/dbraw/zinc/69/44/95/419694495.db2.gz WDVBGRAOSMENMG-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO C[NH2+]CCN(C)C(=O)NC[C@@H]1CCCN1CCOC ZINC000417559921 544591139 /nfs/dbraw/zinc/59/11/39/544591139.db2.gz ATEFFDYISHJRSK-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CCCN1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662704035 419695108 /nfs/dbraw/zinc/69/51/08/419695108.db2.gz SBLHZOQEYYNUGE-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(C[C@H]1CSCCN1)NCC12CC(C1)C[NH2+]2 ZINC000662718992 419698009 /nfs/dbraw/zinc/69/80/09/419698009.db2.gz UAFZYEHEGBSPQY-YZRBJQDESA-N 1 3 255.387 -0.050 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662721165 419700603 /nfs/dbraw/zinc/70/06/03/419700603.db2.gz KNVFCPZPOLVEPU-TUAOUCFPSA-N 1 3 271.361 -0.813 20 0 CBADHO C[C@H]1CCN(CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662745102 419705463 /nfs/dbraw/zinc/70/54/63/419705463.db2.gz FNDXHGDNRRZLJM-JTQLQIEISA-N 1 3 266.349 -0.692 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662754121 419709426 /nfs/dbraw/zinc/70/94/26/419709426.db2.gz DMZOPIWXBFLRBJ-XEZLXBQYSA-N 1 3 267.373 -0.051 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662758389 419711580 /nfs/dbraw/zinc/71/15/80/419711580.db2.gz RFUZRXMHWDNJIN-AVGNSLFASA-N 1 3 268.405 -0.134 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000405408303 544588050 /nfs/dbraw/zinc/58/80/50/544588050.db2.gz SMLMJCVCHNBVNX-SDDRHHMPSA-N 1 3 253.346 -0.785 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000405408303 544588054 /nfs/dbraw/zinc/58/80/54/544588054.db2.gz SMLMJCVCHNBVNX-SDDRHHMPSA-N 1 3 253.346 -0.785 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779190 419653218 /nfs/dbraw/zinc/65/32/18/419653218.db2.gz VDTLFRTZJNHEOQ-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662619458 419655088 /nfs/dbraw/zinc/65/50/88/419655088.db2.gz LTUZGSZXHZDVCT-SNVBAGLBSA-N 1 3 280.376 -0.161 20 0 CBADHO C[C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CCN1 ZINC000647807488 419657273 /nfs/dbraw/zinc/65/72/73/419657273.db2.gz CHPQINFRFKRXBI-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO CC(C)[C@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632604 419660144 /nfs/dbraw/zinc/66/01/44/419660144.db2.gz REDFSKUYLGOFGF-LBPRGKRZSA-N 1 3 258.410 -0.031 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000648108897 419730556 /nfs/dbraw/zinc/73/05/56/419730556.db2.gz AYVUTWPPRLNBIL-FMSGJZPZSA-N 1 3 296.415 -0.328 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000648108900 419731729 /nfs/dbraw/zinc/73/17/29/419731729.db2.gz AYVUTWPPRLNBIL-SFTQSGBHSA-N 1 3 296.415 -0.328 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000648108898 419731993 /nfs/dbraw/zinc/73/19/93/419731993.db2.gz AYVUTWPPRLNBIL-MNXVOIDGSA-N 1 3 296.415 -0.328 20 0 CBADHO CC1(OCC(=O)NC[C@]2(C)CCC[NH2+]C2)CNC1 ZINC000648109030 419732462 /nfs/dbraw/zinc/73/24/62/419732462.db2.gz OJURJLHSFZZYIC-GFCCVEGCSA-N 1 3 255.362 -0.129 20 0 CBADHO CC(C)(N)c1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)on1 ZINC000662816690 419736694 /nfs/dbraw/zinc/73/66/94/419736694.db2.gz YJYFOEDRUBRLSI-QMMMGPOBSA-N 1 3 268.317 -0.413 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000648121954 419740278 /nfs/dbraw/zinc/74/02/78/419740278.db2.gz CIXUFSNGQFFDRC-NHCYSSNCSA-N 1 3 270.377 -0.528 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000648121955 419740462 /nfs/dbraw/zinc/74/04/62/419740462.db2.gz CIXUFSNGQFFDRC-SCVCMEIPSA-N 1 3 270.377 -0.528 20 0 CBADHO O=C([C@@H]1CNCCOC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648124106 419740495 /nfs/dbraw/zinc/74/04/95/419740495.db2.gz QZGUJBNRQLIALT-QJPTWQEYSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CC[C@](N)(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124343 419741497 /nfs/dbraw/zinc/74/14/97/419741497.db2.gz XWPRABGMAWEYST-DMDPSCGWSA-N 1 3 252.362 -0.770 20 0 CBADHO CC1(OCC(=O)N2CCC[C@@H](CC[NH3+])C2)CNC1 ZINC000648130109 419746309 /nfs/dbraw/zinc/74/63/09/419746309.db2.gz IVJREKOCOLAMCS-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO COC1(C(=O)N[C@H]2CNCCC2(F)F)CC[NH2+]CC1 ZINC000648146872 419755302 /nfs/dbraw/zinc/75/53/02/419755302.db2.gz OHXMDNXDIBGKNO-VIFPVBQESA-N 1 3 277.315 -0.132 20 0 CBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)C1(C[NH3+])CCC1 ZINC000648147434 419755946 /nfs/dbraw/zinc/75/59/46/419755946.db2.gz YLXAPLSTWAQHGI-NSHDSACASA-N 1 3 282.388 -0.334 20 0 CBADHO C[C@@H]1CCN(C(=O)COC2(C)CNC2)C[C@H]1C[NH3+] ZINC000648177702 419769072 /nfs/dbraw/zinc/76/90/72/419769072.db2.gz OXEIJUPNEABWIQ-GHMZBOCLSA-N 1 3 255.362 -0.192 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCCO1 ZINC000648177564 419770051 /nfs/dbraw/zinc/77/00/51/419770051.db2.gz HNIIKUBYDJIUAY-VHSXEESVSA-N 1 3 277.315 -0.193 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000662929752 419780425 /nfs/dbraw/zinc/78/04/25/419780425.db2.gz IXVOHLQHMYBKDM-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)[C@H](N)CC(F)F)n1 ZINC000345819212 419782604 /nfs/dbraw/zinc/78/26/04/419782604.db2.gz SSKRVHDXZMROAI-MRVPVSSYSA-N 1 3 275.303 0.366 20 0 CBADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936732 419783984 /nfs/dbraw/zinc/78/39/84/419783984.db2.gz BLRUHLAWUMAZPN-RYUDHWBXSA-N 1 3 298.431 -0.019 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000649274450 419858335 /nfs/dbraw/zinc/85/83/35/419858335.db2.gz LUCWPRGHRVJWLB-JHJVBQTASA-N 1 3 268.405 -0.040 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC1=O ZINC000663010178 419810170 /nfs/dbraw/zinc/81/01/70/419810170.db2.gz IMAVVYVMNXYXPV-BXUZGUMPSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000516492703 544601441 /nfs/dbraw/zinc/60/14/41/544601441.db2.gz SGOCNASUDSQVLH-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663217029 419828521 /nfs/dbraw/zinc/82/85/21/419828521.db2.gz AIRIAWHGARGPBB-DGCLKSJQSA-N 1 3 265.357 -0.423 20 0 CBADHO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663218053 419830522 /nfs/dbraw/zinc/83/05/22/419830522.db2.gz YBPWCNIEOZLNMH-VXGBXAGGSA-N 1 3 265.357 -0.282 20 0 CBADHO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663218051 419830604 /nfs/dbraw/zinc/83/06/04/419830604.db2.gz YBPWCNIEOZLNMH-NWDGAFQWSA-N 1 3 265.357 -0.282 20 0 CBADHO [NH3+]CC1(C(=O)N2CCOC3(CNC3)C2)CCCC1 ZINC000663492440 419843700 /nfs/dbraw/zinc/84/37/00/419843700.db2.gz UEWPUYUSHKDKQZ-UHFFFAOYSA-N 1 3 253.346 -0.294 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000663718185 419856783 /nfs/dbraw/zinc/85/67/83/419856783.db2.gz ZMHXQTQYWBKDEK-RFGFWPKPSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000663718185 419856787 /nfs/dbraw/zinc/85/67/87/419856787.db2.gz ZMHXQTQYWBKDEK-RFGFWPKPSA-N 1 3 296.415 -0.071 20 0 CBADHO CC[NH+](CC)CCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649275117 419856767 /nfs/dbraw/zinc/85/67/67/419856767.db2.gz CPZAIHGTDLRNMX-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN1CCN(CCC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274628 419857121 /nfs/dbraw/zinc/85/71/21/419857121.db2.gz SGSYVVRVMKZRNV-KGLIPLIRSA-N 1 3 298.431 -0.411 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946728 419790368 /nfs/dbraw/zinc/79/03/68/419790368.db2.gz YMDVTWOICYDNPN-LBPRGKRZSA-N 1 3 284.404 -0.265 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000662971522 419797349 /nfs/dbraw/zinc/79/73/49/419797349.db2.gz BDVHWXPNVDUBJE-UONOGXRCSA-N 1 3 299.415 -0.066 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)COC2(C)CNC2)CC1 ZINC000649318858 419877429 /nfs/dbraw/zinc/87/74/29/419877429.db2.gz PTNWKAWZLLYFKZ-UHFFFAOYSA-N 1 3 299.415 -0.018 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318861 419877840 /nfs/dbraw/zinc/87/78/40/419877840.db2.gz QHJXBQXMVOJEQB-LPWJVIDDSA-N 1 3 267.373 -0.036 20 0 CBADHO [NH3+]CCCCn1cc(C(=O)NCCN2CCCC2)nn1 ZINC000649280716 419862637 /nfs/dbraw/zinc/86/26/37/419862637.db2.gz GWMJCNHWYQNVEF-UHFFFAOYSA-N 1 3 280.376 -0.157 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811782 544674291 /nfs/dbraw/zinc/67/42/91/544674291.db2.gz WDVWJBIAPDZRIM-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811782 544674293 /nfs/dbraw/zinc/67/42/93/544674293.db2.gz WDVWJBIAPDZRIM-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350686 419903088 /nfs/dbraw/zinc/90/30/88/419903088.db2.gz YSKOXBMUZIYNNG-MQYQWHSLSA-N 1 3 280.416 -0.406 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)CN1CCN(C)CC1 ZINC000649351268 419903585 /nfs/dbraw/zinc/90/35/85/419903585.db2.gz DSZYAFPGRJVQLO-SYQHCUMBSA-N 1 3 280.416 -0.264 20 0 CBADHO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664384010 419904100 /nfs/dbraw/zinc/90/41/00/419904100.db2.gz AEQAPUBFFYPWHC-NDBYEHHHSA-N 1 3 284.404 -0.357 20 0 CBADHO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664384010 419904107 /nfs/dbraw/zinc/90/41/07/419904107.db2.gz AEQAPUBFFYPWHC-NDBYEHHHSA-N 1 3 284.404 -0.357 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000649350611 419904757 /nfs/dbraw/zinc/90/47/57/419904757.db2.gz SHQLYZFUHUYFLI-GFCCVEGCSA-N 1 3 272.393 -0.896 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000649352950 419905102 /nfs/dbraw/zinc/90/51/02/419905102.db2.gz WROHEQWDCHBRRL-HZSPNIEDSA-N 1 3 280.416 -0.038 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668362329 544696190 /nfs/dbraw/zinc/69/61/90/544696190.db2.gz WNWBMVHEBIWCCO-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOC2(CNC2)C1 ZINC000664727750 419914091 /nfs/dbraw/zinc/91/40/91/419914091.db2.gz PQVLDORWCBLPKL-VIFPVBQESA-N 1 3 275.299 -0.568 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402976 544749344 /nfs/dbraw/zinc/74/93/44/544749344.db2.gz CNKDWAGIZNOXLQ-UONOGXRCSA-N 1 3 295.431 -0.230 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CCO1 ZINC000669403283 544749411 /nfs/dbraw/zinc/74/94/11/544749411.db2.gz RHVSDZIJFZFPIS-SDDRHHMPSA-N 1 3 270.377 -0.162 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 ZINC000669491117 544750787 /nfs/dbraw/zinc/75/07/87/544750787.db2.gz MJBCDUVREGBCEK-OLZOCXBDSA-N 1 3 282.388 -0.160 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCN(C)C2CC2)CCO1 ZINC000669477831 544751264 /nfs/dbraw/zinc/75/12/64/544751264.db2.gz JJUHUQNKOHUPSE-ZYHUDNBSSA-N 1 3 270.377 -0.162 20 0 CBADHO CC(C)[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1 ZINC000669514812 544752875 /nfs/dbraw/zinc/75/28/75/544752875.db2.gz LHWBKZYMQOJTLY-NWDGAFQWSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637674 419959360 /nfs/dbraw/zinc/95/93/60/419959360.db2.gz KWDRCBITBAYFAU-NWDGAFQWSA-N 1 3 274.409 -0.062 20 0 CBADHO C[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637674 419959366 /nfs/dbraw/zinc/95/93/66/419959366.db2.gz KWDRCBITBAYFAU-NWDGAFQWSA-N 1 3 274.409 -0.062 20 0 CBADHO [NH3+]CC1(CCNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000652224095 420053149 /nfs/dbraw/zinc/05/31/49/420053149.db2.gz TUQLWHGEOBXZQW-SNVBAGLBSA-N 1 3 256.350 -0.597 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365320862 420059283 /nfs/dbraw/zinc/05/92/83/420059283.db2.gz OSAURQQLFGKNPN-RFQIPJPRSA-N 1 3 299.415 -0.285 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653109659 420116180 /nfs/dbraw/zinc/11/61/80/420116180.db2.gz IVYWQYLMEIEZFZ-WFASDCNBSA-N 1 3 297.399 -0.815 20 0 CBADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117334 420119444 /nfs/dbraw/zinc/11/94/44/420119444.db2.gz IUYYYTWCIDDARZ-YDHLFZDLSA-N 1 3 279.384 -0.177 20 0 CBADHO CCN(CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653115427 420119583 /nfs/dbraw/zinc/11/95/83/420119583.db2.gz OPDWKPWZFZCUTL-FZMZJTMJSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653115552 420120161 /nfs/dbraw/zinc/12/01/61/420120161.db2.gz SNVZKNSCNKJFGO-OBJOEFQTSA-N 1 3 267.373 -0.225 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1C1CC1 ZINC000653123750 420120219 /nfs/dbraw/zinc/12/02/19/420120219.db2.gz GAVLWSYINNVWLP-YXMPFFBPSA-N 1 3 279.384 -0.036 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653148752 420122642 /nfs/dbraw/zinc/12/26/42/420122642.db2.gz KCRMUSQGZAYHIP-RYUDHWBXSA-N 1 3 256.394 -0.182 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653163229 420124570 /nfs/dbraw/zinc/12/45/70/420124570.db2.gz MUDRJLPTVMQGFJ-SRVKXCTJSA-N 1 3 253.346 -0.378 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CNCCO1)C2 ZINC000653197430 420127616 /nfs/dbraw/zinc/12/76/16/420127616.db2.gz FHDYMRQXSQGPRP-OBJOEFQTSA-N 1 3 267.373 -0.048 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCCC2(C[NH3+])CC2)CC1=O ZINC000653221211 420128418 /nfs/dbraw/zinc/12/84/18/420128418.db2.gz NAEYIAHRWHWNQC-GFCCVEGCSA-N 1 3 296.415 -0.358 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)C[C@H]1C[NH3+] ZINC000653247695 420130227 /nfs/dbraw/zinc/13/02/27/420130227.db2.gz NNDATHXNBGXKBP-HRDYMLBCSA-N 1 3 265.304 -0.209 20 0 CBADHO CCO[C@@H]1CN(C(=O)CNCCOC)C[C@H]1C[NH3+] ZINC000653243692 420130281 /nfs/dbraw/zinc/13/02/81/420130281.db2.gz KJZRVTFVYIBVBI-GHMZBOCLSA-N 1 3 259.350 -0.955 20 0 CBADHO CN(C)CCN1C(=O)C[C@H](NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000653285117 420136908 /nfs/dbraw/zinc/13/69/08/420136908.db2.gz DFNKTIYDEQQAKA-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN1C(=O)C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285117 420136913 /nfs/dbraw/zinc/13/69/13/420136913.db2.gz DFNKTIYDEQQAKA-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN1CCC[C@H](N[C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283970 420137315 /nfs/dbraw/zinc/13/73/15/420137315.db2.gz UTEUBTBAZRQVHT-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)CCn1cc(NC(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000652612036 420070867 /nfs/dbraw/zinc/07/08/67/420070867.db2.gz FSEHVYOVCPGODO-JTQLQIEISA-N 1 3 266.349 -0.072 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000652697880 420074236 /nfs/dbraw/zinc/07/42/36/420074236.db2.gz PWBYZYQZJJQRNB-UHFFFAOYSA-N 1 3 282.388 -0.734 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000652700490 420076075 /nfs/dbraw/zinc/07/60/75/420076075.db2.gz SLNDFXYXFYNMRW-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713285 420077423 /nfs/dbraw/zinc/07/74/23/420077423.db2.gz LBMFMTUFWRDHGN-UHFFFAOYSA-N 1 3 270.377 -0.748 20 0 CBADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558620 420089368 /nfs/dbraw/zinc/08/93/68/420089368.db2.gz WIGSKSKQKJITLE-GUBZILKMSA-N 1 3 261.366 -0.102 20 0 CBADHO O=C(NCCNc1ccncc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346384 420141643 /nfs/dbraw/zinc/14/16/43/420141643.db2.gz SCPBTDWQOJDVGE-FZMZJTMJSA-N 1 3 276.340 -0.732 20 0 CBADHO NC1(C(=O)NCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000370593212 420183366 /nfs/dbraw/zinc/18/33/66/420183366.db2.gz LZRJIHHXQFWFDV-UHFFFAOYSA-N 1 3 288.395 -0.496 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)n1 ZINC000372106347 420190423 /nfs/dbraw/zinc/19/04/23/420190423.db2.gz YSMZWPDZFDCJGO-GFCCVEGCSA-N 1 3 269.324 0.085 20 0 CBADHO CC[C@H](N)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776469 420204260 /nfs/dbraw/zinc/20/42/60/420204260.db2.gz MPJAQGATCMHSNM-QWRGUYRKSA-N 1 3 271.365 -0.373 20 0 CBADHO CC[C@H](N)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776469 420204264 /nfs/dbraw/zinc/20/42/64/420204264.db2.gz MPJAQGATCMHSNM-QWRGUYRKSA-N 1 3 271.365 -0.373 20 0 CBADHO C[NH+](C)[C@H]1CCCN(S(=O)(=O)C[C@H]2CNCCO2)C1 ZINC000388502738 420205173 /nfs/dbraw/zinc/20/51/73/420205173.db2.gz HPACNBVQCDCKHO-NWDGAFQWSA-N 1 3 291.417 -0.669 20 0 CBADHO CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CN2CCC1CC2 ZINC000388927885 420205256 /nfs/dbraw/zinc/20/52/56/420205256.db2.gz XBDYAYDNNILXSV-CYBMUJFWSA-N 1 3 266.389 -0.556 20 0 CBADHO O=C(NCCC[NH+]1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653478480 420144581 /nfs/dbraw/zinc/14/45/81/420144581.db2.gz FMYGZTXPPCQYNK-UONOGXRCSA-N 1 3 296.415 -0.067 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000653542040 420149495 /nfs/dbraw/zinc/14/94/95/420149495.db2.gz DKRNQNAYSUFCKG-SOUVJXGZSA-N 1 3 285.432 -0.170 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000653542040 420149498 /nfs/dbraw/zinc/14/94/98/420149498.db2.gz DKRNQNAYSUFCKG-SOUVJXGZSA-N 1 3 285.432 -0.170 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000653663789 420154237 /nfs/dbraw/zinc/15/42/37/420154237.db2.gz KAMLTAXHXFWGKZ-GHMZBOCLSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000653663789 420154240 /nfs/dbraw/zinc/15/42/40/420154240.db2.gz KAMLTAXHXFWGKZ-GHMZBOCLSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654408727 420178158 /nfs/dbraw/zinc/17/81/58/420178158.db2.gz GASJZPIMMAZDAJ-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418568859 420241837 /nfs/dbraw/zinc/24/18/37/420241837.db2.gz BPCRKPRQINCVOS-NEPJUHHUSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418949230 420243263 /nfs/dbraw/zinc/24/32/63/420243263.db2.gz ROWUJABJMVPAKE-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419862996 420246362 /nfs/dbraw/zinc/24/63/62/420246362.db2.gz DKQFJGKVXBEIEF-FRRDWIJNSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419431251 420246405 /nfs/dbraw/zinc/24/64/05/420246405.db2.gz WYMYWCAGPIMEGW-AVGNSLFASA-N 1 3 298.431 -0.066 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](CN)C1 ZINC000655418511 420247485 /nfs/dbraw/zinc/24/74/85/420247485.db2.gz ACYKPRYTHYRHGW-DYEKYZERSA-N 1 3 266.389 -0.523 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419901829 420247690 /nfs/dbraw/zinc/24/76/90/420247690.db2.gz VDLDYYGRZRVBDT-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423203892 420255989 /nfs/dbraw/zinc/25/59/89/420255989.db2.gz AKVQVHURVAESGM-ZDUSSCGKSA-N 1 3 296.415 -0.121 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000655488466 420256071 /nfs/dbraw/zinc/25/60/71/420256071.db2.gz APUCFBQFSJWGDY-TUAOUCFPSA-N 1 3 255.362 -0.179 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000655488465 420256164 /nfs/dbraw/zinc/25/61/64/420256164.db2.gz APUCFBQFSJWGDY-GRYCIOLGSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000422972987 420256200 /nfs/dbraw/zinc/25/62/00/420256200.db2.gz NJSQPEVSPQMDLB-AGIUHOORSA-N 1 3 296.415 -0.075 20 0 CBADHO [NH3+]C[C@@H](NC(=O)CNC[C@@H]1CCCO1)C(F)(F)F ZINC000655505285 420259197 /nfs/dbraw/zinc/25/91/97/420259197.db2.gz VHUXIRDZGMNBSD-JGVFFNPUSA-N 1 3 269.267 -0.239 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C[C@@H]1CNCCO1)C(F)(F)F ZINC000655505301 420259974 /nfs/dbraw/zinc/25/99/74/420259974.db2.gz VUOWMTUTAAIHFI-RNFRBKRXSA-N 1 3 255.240 -0.629 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C[C@H]1CNCCO1)C(F)(F)F ZINC000655505300 420260031 /nfs/dbraw/zinc/26/00/31/420260031.db2.gz VUOWMTUTAAIHFI-NKWVEPMBSA-N 1 3 255.240 -0.629 20 0 CBADHO NC[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514869 420261619 /nfs/dbraw/zinc/26/16/19/420261619.db2.gz FMIJKMNCFWNUQV-YUMQZZPRSA-N 1 3 296.293 -0.750 20 0 CBADHO NC[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C(F)(F)F ZINC000655514842 420262289 /nfs/dbraw/zinc/26/22/89/420262289.db2.gz DMNCXBPNNQGQAL-FJXKBIBVSA-N 1 3 251.252 -0.008 20 0 CBADHO CC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430886524 420272414 /nfs/dbraw/zinc/27/24/14/420272414.db2.gz AOTGVWZHVJYUJO-MNOVXSKESA-N 1 3 270.377 -0.573 20 0 CBADHO CC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430886524 420272417 /nfs/dbraw/zinc/27/24/17/420272417.db2.gz AOTGVWZHVJYUJO-MNOVXSKESA-N 1 3 270.377 -0.573 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)C[C@H]2CNCCO2)n1 ZINC000430871739 420273217 /nfs/dbraw/zinc/27/32/17/420273217.db2.gz FJONUFOULKVVES-NSHDSACASA-N 1 3 281.360 -0.238 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924813 420277530 /nfs/dbraw/zinc/27/75/30/420277530.db2.gz QXAQSKOVPSKSAN-QMMMGPOBSA-N 1 3 286.298 -0.511 20 0 CBADHO Cn1cnnc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000655947297 420282068 /nfs/dbraw/zinc/28/20/68/420282068.db2.gz QRSDRXNYMDBAKG-LBPRGKRZSA-N 1 3 264.377 -0.063 20 0 CBADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000655962064 420282302 /nfs/dbraw/zinc/28/23/02/420282302.db2.gz HTEWWMNSZYINCM-YIYPIFLZSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@]1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000655965447 420284149 /nfs/dbraw/zinc/28/41/49/420284149.db2.gz UQWRZYDITWVMOQ-GUTXKFCHSA-N 1 3 296.415 -0.164 20 0 CBADHO [NH3+]C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655965067 420284395 /nfs/dbraw/zinc/28/43/95/420284395.db2.gz MKXIYJIKEUKVNM-WDEREUQCSA-N 1 3 268.361 -0.672 20 0 CBADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968002 420284448 /nfs/dbraw/zinc/28/44/48/420284448.db2.gz KNFOIKDRGBGMOS-RWMBFGLXSA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000655967641 420284969 /nfs/dbraw/zinc/28/49/69/420284969.db2.gz ZVQHZUAHZDZKMX-MJBXVCDLSA-N 1 3 296.415 -0.036 20 0 CBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655968909 420285741 /nfs/dbraw/zinc/28/57/41/420285741.db2.gz AWRCOBSCEDGSDN-FVCCEPFGSA-N 1 3 282.388 -0.426 20 0 CBADHO [NH3+]C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000655967640 420285757 /nfs/dbraw/zinc/28/57/57/420285757.db2.gz ZVQHZUAHZDZKMX-BFHYXJOUSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@@H](Cn1cncn1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873046 420363813 /nfs/dbraw/zinc/36/38/13/420363813.db2.gz QXLANAYGROFRPD-QWHCGFSZSA-N 1 3 294.403 -0.156 20 0 CBADHO C[C@@H](Cn1cncn1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873046 420363818 /nfs/dbraw/zinc/36/38/18/420363818.db2.gz QXLANAYGROFRPD-QWHCGFSZSA-N 1 3 294.403 -0.156 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000505899980 420353949 /nfs/dbraw/zinc/35/39/49/420353949.db2.gz BVBXREPAGPOEAT-NHCYSSNCSA-N 1 3 270.377 -0.705 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022120 420293201 /nfs/dbraw/zinc/29/32/01/420293201.db2.gz BYNNOMFIQOONJA-UPJWGTAASA-N 1 3 296.415 -0.027 20 0 CBADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022965 420293708 /nfs/dbraw/zinc/29/37/08/420293708.db2.gz PUSDIRLGGXFYLB-STQMWFEESA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000517570240 420378617 /nfs/dbraw/zinc/37/86/17/420378617.db2.gz VMDXBBXMSPFEOF-FOGDFJRCSA-N 1 3 270.377 -0.800 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000518769232 420382289 /nfs/dbraw/zinc/38/22/89/420382289.db2.gz ICAKWXVZKFPZAK-SECBINFHSA-N 1 3 257.334 -0.523 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000659458816 420422218 /nfs/dbraw/zinc/42/22/18/420422218.db2.gz UKDKQTPXHQDNEL-GHMZBOCLSA-N 1 3 258.366 -0.386 20 0 CBADHO CN(C)CCOCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659484265 420422613 /nfs/dbraw/zinc/42/26/13/420422613.db2.gz HVYVTAPUMVLGTP-UHFFFAOYSA-N 1 3 270.377 -0.384 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659356932 420413833 /nfs/dbraw/zinc/41/38/33/420413833.db2.gz AKYUHBWRUOQOCI-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357990 420414971 /nfs/dbraw/zinc/41/49/71/420414971.db2.gz FFAMLGJXJRKQLQ-QWRGUYRKSA-N 1 3 272.393 -0.552 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[C@H]1F ZINC000659388314 420417905 /nfs/dbraw/zinc/41/79/05/420417905.db2.gz BIPHLPOTERBZOL-GMTAPVOTSA-N 1 3 296.350 -0.459 20 0 CBADHO COC1CCN(CCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659567977 420434705 /nfs/dbraw/zinc/43/47/05/420434705.db2.gz WAKXKZGVKBCWSJ-NSHDSACASA-N 1 3 270.377 -0.242 20 0 CBADHO CN1CCN(C(=O)NCC2([NH3+])CCCC2)[C@@H](CN)C1 ZINC000659575545 420434980 /nfs/dbraw/zinc/43/49/80/420434980.db2.gz PLQIOLYLFLTCKS-NSHDSACASA-N 1 3 269.393 -0.458 20 0 CBADHO CCCN1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436857 /nfs/dbraw/zinc/43/68/57/420436857.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 1 3 283.420 -0.245 20 0 CBADHO O=C(NC[C@H]1CCCN1CCCO)NCC12CC(C1)C[NH2+]2 ZINC000659613446 420436903 /nfs/dbraw/zinc/43/69/03/420436903.db2.gz GWLWGVPTDPVFSG-JVWICGRDSA-N 1 3 296.415 -0.116 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000659519530 420426775 /nfs/dbraw/zinc/42/67/75/420426775.db2.gz RPTYBYCVFKOYCZ-GFCCVEGCSA-N 1 3 299.419 -0.615 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659527258 420428087 /nfs/dbraw/zinc/42/80/87/420428087.db2.gz KIJWQCNLPWYJFG-GFCCVEGCSA-N 1 3 299.419 -0.615 20 0 CBADHO COCCNCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659527518 420428746 /nfs/dbraw/zinc/42/87/46/420428746.db2.gz NKTRDDSIGSDDRX-UHFFFAOYSA-N 1 3 258.366 -0.207 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000659537962 420431601 /nfs/dbraw/zinc/43/16/01/420431601.db2.gz MYVKVUTYBFEQGQ-IUCAKERBSA-N 1 3 294.359 -0.290 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562203 230294350 /nfs/dbraw/zinc/29/43/50/230294350.db2.gz JSAJXCMWNOKXLE-OLZOCXBDSA-N 1 3 298.456 -0.412 20 0 CBADHO CN1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000680833514 545041207 /nfs/dbraw/zinc/04/12/07/545041207.db2.gz ZMTHAZRLPVZEIB-DGCLKSJQSA-N 1 3 270.377 -0.554 20 0 CBADHO CN1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000680833514 545041208 /nfs/dbraw/zinc/04/12/08/545041208.db2.gz ZMTHAZRLPVZEIB-DGCLKSJQSA-N 1 3 270.377 -0.554 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000659754320 420468333 /nfs/dbraw/zinc/46/83/33/420468333.db2.gz DUYKXEORLKTDNG-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000659753651 420468392 /nfs/dbraw/zinc/46/83/92/420468392.db2.gz QZWVHYBDHVLOSO-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000659758030 420469423 /nfs/dbraw/zinc/46/94/23/420469423.db2.gz XFVPZUROGADKLP-LBPRGKRZSA-N 1 3 286.420 -0.243 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000659758025 420469507 /nfs/dbraw/zinc/46/95/07/420469507.db2.gz XFRSDHXQRUNLSL-SRVKXCTJSA-N 1 3 284.404 -0.491 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000659641845 420442672 /nfs/dbraw/zinc/44/26/72/420442672.db2.gz ISGLXTULKMZKAT-NWDGAFQWSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659679563 420447905 /nfs/dbraw/zinc/44/79/05/420447905.db2.gz ZLLLFECZEJJACO-DILZAHMFSA-N 1 3 294.399 -0.547 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000659684694 420448418 /nfs/dbraw/zinc/44/84/18/420448418.db2.gz JDRFJSZQRHOHRV-SNVBAGLBSA-N 1 3 282.388 -0.547 20 0 CBADHO CN(CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659685778 420448582 /nfs/dbraw/zinc/44/85/82/420448582.db2.gz VASPLAGCBGKJQM-UHFFFAOYSA-N 1 3 280.372 -0.935 20 0 CBADHO CN(CCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659685219 420448817 /nfs/dbraw/zinc/44/88/17/420448817.db2.gz PFBQWOSTAYFSOD-UHFFFAOYSA-N 1 3 282.388 -0.416 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000659694936 420451079 /nfs/dbraw/zinc/45/10/79/420451079.db2.gz TWEWOBLPYWGKFX-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N(C)C1CC1 ZINC000659702888 420452601 /nfs/dbraw/zinc/45/26/01/420452601.db2.gz SJCJIFGXHTZGHO-NLTNOIMHSA-N 1 3 294.399 -0.465 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659704606 420453481 /nfs/dbraw/zinc/45/34/81/420453481.db2.gz MKDGBNHDCLWVHQ-RYUDHWBXSA-N 1 3 280.372 -0.935 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)[C@H](N)C2CCC2)n1 ZINC000570573583 420453608 /nfs/dbraw/zinc/45/36/08/420453608.db2.gz UWAZITPPURUIKS-GFCCVEGCSA-N 1 3 265.361 0.511 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659708822 420453721 /nfs/dbraw/zinc/45/37/21/420453721.db2.gz ABZBRKPVICSRRI-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]CC)C1 ZINC000659709213 420454344 /nfs/dbraw/zinc/45/43/44/420454344.db2.gz ADQNIZDHSHWEOO-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711720 420455118 /nfs/dbraw/zinc/45/51/18/420455118.db2.gz CQCZFNUCKQCHMI-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659714645 420456908 /nfs/dbraw/zinc/45/69/08/420456908.db2.gz OBAZNDHXCQZOCA-SECBINFHSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000659714613 420457006 /nfs/dbraw/zinc/45/70/06/420457006.db2.gz NQBDCNHKJZWVQC-GFCCVEGCSA-N 1 3 296.415 -0.441 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715955 420457235 /nfs/dbraw/zinc/45/72/35/420457235.db2.gz UBDGNDAYGWXTJD-NEPJUHHUSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715469 420457283 /nfs/dbraw/zinc/45/72/83/420457283.db2.gz VHVUFHLXSZZKDI-NSHDSACASA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718117 420457712 /nfs/dbraw/zinc/45/77/12/420457712.db2.gz NIBSQHOXFGEGMN-LLVKDONJSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659718399 420457882 /nfs/dbraw/zinc/45/78/82/420457882.db2.gz NXOQNEYGCGUHGT-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659718358 420458269 /nfs/dbraw/zinc/45/82/69/420458269.db2.gz PRVREBXYMASPTD-NWDGAFQWSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659716609 420458473 /nfs/dbraw/zinc/45/84/73/420458473.db2.gz XNFUBTWCOLZUFH-BPCQOVAHSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659719469 420458704 /nfs/dbraw/zinc/45/87/04/420458704.db2.gz YMOCJJIVWCTECW-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720863 420459264 /nfs/dbraw/zinc/45/92/64/420459264.db2.gz FXLNHBOFOKGJOB-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659719471 420459402 /nfs/dbraw/zinc/45/94/02/420459402.db2.gz YMOCJJIVWCTECW-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725712 420459918 /nfs/dbraw/zinc/45/99/18/420459918.db2.gz YKQJDPLLSKEZBD-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659725987 420460175 /nfs/dbraw/zinc/46/01/75/420460175.db2.gz GJCXNSSNYOHXFQ-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000659729692 420461202 /nfs/dbraw/zinc/46/12/02/420461202.db2.gz TUMCILMMKIHNCS-UTUOFQBUSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000659738306 420463048 /nfs/dbraw/zinc/46/30/48/420463048.db2.gz DMMIOZPRDLNDDE-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659738482 420463657 /nfs/dbraw/zinc/46/36/57/420463657.db2.gz FDIRRPZRYOLOOH-AVERBVTBSA-N 1 3 294.399 -0.463 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000659738279 420463766 /nfs/dbraw/zinc/46/37/66/420463766.db2.gz DGKIDVFMPMNNHF-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000659738282 420463941 /nfs/dbraw/zinc/46/39/41/420463941.db2.gz DGZVYXTZNWPHJU-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659739237 420464205 /nfs/dbraw/zinc/46/42/05/420464205.db2.gz OKRJTRNHIMGKDB-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659739380 420465025 /nfs/dbraw/zinc/46/50/25/420465025.db2.gz SGCJDVWXSQFTCS-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659739383 420465268 /nfs/dbraw/zinc/46/52/68/420465268.db2.gz SGCJDVWXSQFTCS-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744419 420466134 /nfs/dbraw/zinc/46/61/34/420466134.db2.gz VNXCIXSMYJZDPQ-MQYJIDSJSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000659749208 420466325 /nfs/dbraw/zinc/46/63/25/420466325.db2.gz FWZKYWKYKCHEOT-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO [NH3+][C@@H]1C[C@H]2CN(CC[C@@H]3CCOC3)CCN2C1=O ZINC000521646509 260198637 /nfs/dbraw/zinc/19/86/37/260198637.db2.gz VYAKQBQTBKGTLG-GRYCIOLGSA-N 1 3 253.346 -0.343 20 0 CBADHO [NH3+][C@@H]1C[C@@H]2CN(CC[C@H]3CCOC3)CCN2C1=O ZINC000521646511 260198719 /nfs/dbraw/zinc/19/87/19/260198719.db2.gz VYAKQBQTBKGTLG-QJPTWQEYSA-N 1 3 253.346 -0.343 20 0 CBADHO C[NH2+]CCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000517932116 260319967 /nfs/dbraw/zinc/31/99/67/260319967.db2.gz CCLKRCRZORROLI-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CC(C)[C@@](C)(CN)[NH2+]CCC(=O)N1CCNCC1 ZINC000517937578 260322229 /nfs/dbraw/zinc/32/22/29/260322229.db2.gz YGIIMYWGYSMFKN-CYBMUJFWSA-N 1 3 256.394 -0.229 20 0 CBADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N1CCNCC1 ZINC000517937578 260322230 /nfs/dbraw/zinc/32/22/30/260322230.db2.gz YGIIMYWGYSMFKN-CYBMUJFWSA-N 1 3 256.394 -0.229 20 0 CBADHO C[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000192753971 269572706 /nfs/dbraw/zinc/57/27/06/269572706.db2.gz ZMFODVCWQZQGCW-NSHDSACASA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](CNC(=O)N(C)CCC[NH3+])CN1CCN(C)CC1 ZINC000517042296 269595398 /nfs/dbraw/zinc/59/53/98/269595398.db2.gz QINVJWAHDVPWJM-CYBMUJFWSA-N 1 3 285.436 -0.140 20 0 CBADHO [NH3+]C[C@H](C(=O)NC[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000522000168 269605338 /nfs/dbraw/zinc/60/53/38/269605338.db2.gz KORRPINCVVFNMW-OLZOCXBDSA-N 1 3 281.331 -0.027 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088878 276378411 /nfs/dbraw/zinc/37/84/11/276378411.db2.gz ISRVSXMEKVDAJU-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO CN(C)C1CN(c2cc(N3CC([NH+](C)C)C3)ncn2)C1 ZINC000128641301 276755566 /nfs/dbraw/zinc/75/55/66/276755566.db2.gz INGGEWUNVWECBJ-UHFFFAOYSA-N 1 3 276.388 -0.023 20 0 CBADHO C[N@H+](C[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562521 545081877 /nfs/dbraw/zinc/08/18/77/545081877.db2.gz RBBROGDYIKBNLC-ARFHVFGLSA-N 1 3 297.443 -0.028 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562521 545081878 /nfs/dbraw/zinc/08/18/78/545081878.db2.gz RBBROGDYIKBNLC-ARFHVFGLSA-N 1 3 297.443 -0.028 20 0 CBADHO CNC(=O)C[C@@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175625 277001131 /nfs/dbraw/zinc/00/11/31/277001131.db2.gz QLBJJBCQLPLBCO-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)C[C@@H](C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175625 277001133 /nfs/dbraw/zinc/00/11/33/277001133.db2.gz QLBJJBCQLPLBCO-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419033212 277024150 /nfs/dbraw/zinc/02/41/50/277024150.db2.gz YFEPTQHKKQZHIT-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)C[C@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175637 277232623 /nfs/dbraw/zinc/23/26/23/277232623.db2.gz QLBJJBCQLPLBCO-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)C[C@H](C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175637 277232624 /nfs/dbraw/zinc/23/26/24/277232624.db2.gz QLBJJBCQLPLBCO-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)CN)C1 ZINC000419150216 277390226 /nfs/dbraw/zinc/39/02/26/277390226.db2.gz KYBUXMJTZXKWKP-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)CN)C1 ZINC000419150216 277390227 /nfs/dbraw/zinc/39/02/27/277390227.db2.gz KYBUXMJTZXKWKP-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[C@H](CN(C)C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516669 277477742 /nfs/dbraw/zinc/47/77/42/277477742.db2.gz HEECTOOWBOEZDJ-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1[NH3+] ZINC000331515459 277816108 /nfs/dbraw/zinc/81/61/08/277816108.db2.gz BYBNPHBTVUOGFS-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](CC(N)=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061044 278224217 /nfs/dbraw/zinc/22/42/17/278224217.db2.gz FHVFQVZAONJTNA-WDEREUQCSA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@@H](CC(N)=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061044 278224219 /nfs/dbraw/zinc/22/42/19/278224219.db2.gz FHVFQVZAONJTNA-WDEREUQCSA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419576806 278268672 /nfs/dbraw/zinc/26/86/72/278268672.db2.gz CKGGVORZRTZWKX-JFGNBEQYSA-N 1 3 282.388 -0.609 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000514670825 278545858 /nfs/dbraw/zinc/54/58/58/278545858.db2.gz KTQKSHHUOJARLJ-STQMWFEESA-N 1 3 269.389 -0.053 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418389545 278547281 /nfs/dbraw/zinc/54/72/81/278547281.db2.gz UAONRLSJQSDPOL-QWHCGFSZSA-N 1 3 284.404 -0.260 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418952170 279114495 /nfs/dbraw/zinc/11/44/95/279114495.db2.gz VGZPDLHLXYDHPT-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343616090 279176014 /nfs/dbraw/zinc/17/60/14/279176014.db2.gz KAOAVXFIXFXDME-STQMWFEESA-N 1 3 268.405 -0.134 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351517515 279269304 /nfs/dbraw/zinc/26/93/04/279269304.db2.gz ANKZBBJJYHTVMN-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419882011 279499171 /nfs/dbraw/zinc/49/91/71/279499171.db2.gz BWCSOZVSDHUMHH-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)COC2CNC2)C1 ZINC000424080447 279682157 /nfs/dbraw/zinc/68/21/57/279682157.db2.gz TZHIFDUOXVVVOF-LLVKDONJSA-N 1 3 261.325 -0.109 20 0 CBADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180553 /nfs/dbraw/zinc/18/05/53/288180553.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180554 /nfs/dbraw/zinc/18/05/54/288180554.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180556 /nfs/dbraw/zinc/18/05/56/288180556.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351774908 288180558 /nfs/dbraw/zinc/18/05/58/288180558.db2.gz PHAYFZWVNWIYNU-LVEBTZEWSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332234091 288300172 /nfs/dbraw/zinc/30/01/72/288300172.db2.gz NAOXMLQFHYXYFQ-GRYCIOLGSA-N 1 3 280.372 -0.759 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227455464 288303643 /nfs/dbraw/zinc/30/36/43/288303643.db2.gz YQOCELAMSDVQCB-KKOKHZNYSA-N 1 3 253.346 -0.596 20 0 CBADHO C[NH+](C)C/C=C\C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000493320922 282023454 /nfs/dbraw/zinc/02/34/54/282023454.db2.gz MWWPFVOVKJTREB-VQTKUKTRSA-N 1 3 267.373 -0.323 20 0 CBADHO CN(C)C1(C[NH2+]C[C@H](O)CN2CCN(C)CC2)CCC1 ZINC000516051981 282043278 /nfs/dbraw/zinc/04/32/78/282043278.db2.gz KJJXZIBHTWBHGD-AWEZNQCLSA-N 1 3 284.448 -0.331 20 0 CBADHO CN1CCN(C[C@@H](O)CNCC2([NH+](C)C)CCC2)CC1 ZINC000516051981 282043288 /nfs/dbraw/zinc/04/32/88/282043288.db2.gz KJJXZIBHTWBHGD-AWEZNQCLSA-N 1 3 284.448 -0.331 20 0 CBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261749158 288944588 /nfs/dbraw/zinc/94/45/88/288944588.db2.gz PZCOIVPKQZAANX-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1([NH3+])CC1 ZINC000237027326 289018728 /nfs/dbraw/zinc/01/87/28/289018728.db2.gz UFJGGCNCAYXMQG-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH+](C)C1(CNC(=O)C[C@@H]2CNCCO2)CCOCC1 ZINC000430705602 289045420 /nfs/dbraw/zinc/04/54/20/289045420.db2.gz LJRHXVBAWAVPKX-GFCCVEGCSA-N 1 3 285.388 -0.408 20 0 CBADHO CN(C)C1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000170928123 289067611 /nfs/dbraw/zinc/06/76/11/289067611.db2.gz QLKYSANAFIBRGK-UHFFFAOYSA-N 1 3 256.350 -0.013 20 0 CBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424193361 289138925 /nfs/dbraw/zinc/13/89/25/289138925.db2.gz QOWXIVIHILQIEF-TUAOUCFPSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000423754831 289214873 /nfs/dbraw/zinc/21/48/73/289214873.db2.gz IRIFLYFVUHFDQT-LBPRGKRZSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N(C)CCCN(C)CC[NH+](C)C ZINC000344031060 289338890 /nfs/dbraw/zinc/33/88/90/289338890.db2.gz OZNLNWWRJLXQNJ-LLVKDONJSA-N 1 3 287.408 -0.615 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423647025 289367534 /nfs/dbraw/zinc/36/75/34/289367534.db2.gz MQRHBSMNYQREDV-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COC2CNC2)C1 ZINC000430775747 289375108 /nfs/dbraw/zinc/37/51/08/289375108.db2.gz MDKDHWAWHQWTKC-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424153891 295324692 /nfs/dbraw/zinc/32/46/92/295324692.db2.gz LVNVBJHSLNZIED-XQHKEYJVSA-N 1 3 294.399 -0.560 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CN1C1CC1 ZINC000346124556 297267859 /nfs/dbraw/zinc/26/78/59/297267859.db2.gz XPEZNIFTIYESMT-VXGBXAGGSA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419126022 298579199 /nfs/dbraw/zinc/57/91/99/298579199.db2.gz VEVUYWDXTXZKOZ-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N(C)C ZINC000354700564 298686396 /nfs/dbraw/zinc/68/63/96/298686396.db2.gz WYIUIMRODNYGPP-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000359200720 300254634 /nfs/dbraw/zinc/25/46/34/300254634.db2.gz GXJRCDWQWQJJHN-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NCCCN1CCN(C)CC1 ZINC000040808783 528497754 /nfs/dbraw/zinc/49/77/54/528497754.db2.gz YPGLBAFWWFMESU-GFCCVEGCSA-N 1 3 256.394 -0.277 20 0 CBADHO NC1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000368559983 303354048 /nfs/dbraw/zinc/35/40/48/303354048.db2.gz AMGWPCWIIPYLLD-LBPRGKRZSA-N 1 3 266.389 -0.236 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000132200680 303382685 /nfs/dbraw/zinc/38/26/85/303382685.db2.gz JHGYFHMQYBOIPF-MFKMUULPSA-N 1 3 286.351 -0.999 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368561132 303645549 /nfs/dbraw/zinc/64/55/49/303645549.db2.gz JZGAEQRMHZPWLV-OCCSQVGLSA-N 1 3 267.373 -0.033 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1=O ZINC000570805010 327620517 /nfs/dbraw/zinc/62/05/17/327620517.db2.gz JAIHXVRPLLHYPI-XQQFMLRXSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)NCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000570817997 327621336 /nfs/dbraw/zinc/62/13/36/327621336.db2.gz CJXFIICQQDZDRS-DOMZBBRYSA-N 1 3 296.415 -0.253 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000574907310 327637991 /nfs/dbraw/zinc/63/79/91/327637991.db2.gz SNORILKXFHANAG-LBPRGKRZSA-N 1 3 280.372 -0.839 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582312537 328959382 /nfs/dbraw/zinc/95/93/82/328959382.db2.gz AYOJJKZIKSGDIJ-LBPRGKRZSA-N 1 3 271.409 -0.517 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368010 328061082 /nfs/dbraw/zinc/06/10/82/328061082.db2.gz JGUWDOWHJSWXMG-YNEHKIRRSA-N 1 3 294.399 -0.463 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563451201 328066229 /nfs/dbraw/zinc/06/62/29/328066229.db2.gz JZFQPVUAEBNWME-RYUDHWBXSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CCN2C1=O ZINC000563451720 328066266 /nfs/dbraw/zinc/06/62/66/328066266.db2.gz MJTUVLCYPWNMCO-WRWGMCAJSA-N 1 3 295.387 -0.933 20 0 CBADHO Cc1nccn1CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563444002 328067090 /nfs/dbraw/zinc/06/70/90/328067090.db2.gz ZYLIKEGNSQOBAZ-OLZOCXBDSA-N 1 3 277.372 -0.175 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000563529462 328072002 /nfs/dbraw/zinc/07/20/02/328072002.db2.gz LKMUUMXQJXPYFR-LBPRGKRZSA-N 1 3 271.409 -0.388 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000563597508 328076218 /nfs/dbraw/zinc/07/62/18/328076218.db2.gz XSKWOPKYIXYZCX-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000563597508 328076219 /nfs/dbraw/zinc/07/62/19/328076219.db2.gz XSKWOPKYIXYZCX-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000563599318 328076371 /nfs/dbraw/zinc/07/63/71/328076371.db2.gz VGHWGZTYAKLIJO-STQMWFEESA-N 1 3 283.420 -0.340 20 0 CBADHO CN1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000563599317 328076388 /nfs/dbraw/zinc/07/63/88/328076388.db2.gz VGHWGZTYAKLIJO-QWHCGFSZSA-N 1 3 283.420 -0.340 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572839611 328101012 /nfs/dbraw/zinc/10/10/12/328101012.db2.gz WEOLVRKPJHNKRI-AGIUHOORSA-N 1 3 267.373 -0.035 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)C[C@H]1CNCCO1)C(F)F ZINC000571325947 328107488 /nfs/dbraw/zinc/10/74/88/328107488.db2.gz XZKQLCRCLGMGDV-JGVFFNPUSA-N 1 3 251.277 -0.536 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000571423367 328120972 /nfs/dbraw/zinc/12/09/72/328120972.db2.gz QFPOLLRBLZFSRG-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000571562343 328133991 /nfs/dbraw/zinc/13/39/91/328133991.db2.gz FUCJMFIEHSWLKH-JQWIXIFHSA-N 1 3 270.377 -0.704 20 0 CBADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@@H]1CNCCO1 ZINC000583024201 329299313 /nfs/dbraw/zinc/29/93/13/329299313.db2.gz NJJOAESWZZKZSF-JASNWFPJSA-N 1 3 267.373 -0.003 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265147 326999475 /nfs/dbraw/zinc/99/94/75/326999475.db2.gz AFDKLHAZIAWMLM-IJLUTSLNSA-N 1 3 296.415 -0.443 20 0 CBADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565727177 327001077 /nfs/dbraw/zinc/00/10/77/327001077.db2.gz CLJALARKNDGZTK-XQQFMLRXSA-N 1 3 296.415 -0.232 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000568552667 327003029 /nfs/dbraw/zinc/00/30/29/327003029.db2.gz ABGCFOJWSRVYMQ-CQSZACIVSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000564450572 327099445 /nfs/dbraw/zinc/09/94/45/327099445.db2.gz KELXESQTEMAFIQ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000564931330 327160540 /nfs/dbraw/zinc/16/05/40/327160540.db2.gz GAYBFRAGGQZHEB-WDEREUQCSA-N 1 3 280.376 -0.161 20 0 CBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1CNC1)C(C)(C)C ZINC000569558995 327197573 /nfs/dbraw/zinc/19/75/73/327197573.db2.gz AVGGZLNMXMSVSJ-LLVKDONJSA-N 1 3 284.404 -0.443 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000569592466 327202147 /nfs/dbraw/zinc/20/21/47/327202147.db2.gz YGPRONNNMUZCEW-UPJWGTAASA-N 1 3 294.399 -0.641 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000584294252 327224670 /nfs/dbraw/zinc/22/46/70/327224670.db2.gz KSOHRYQZUQZQMX-BFHYXJOUSA-N 1 3 298.431 -0.637 20 0 CBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)N)CC1 ZINC000577277976 327248378 /nfs/dbraw/zinc/24/83/78/327248378.db2.gz IWYHEXXQOQTPKE-NSHDSACASA-N 1 3 257.378 -0.067 20 0 CBADHO [NH3+]CCc1nc(C(=O)NC[C@@H]2CNCCO2)cs1 ZINC000566249840 327260802 /nfs/dbraw/zinc/26/08/02/327260802.db2.gz OAGWHMISGLJZNC-QMMMGPOBSA-N 1 3 270.358 -0.638 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566252561 327263042 /nfs/dbraw/zinc/26/30/42/327263042.db2.gz BLLZOJJMMZBANO-JSGCOSHPSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)C[C@@H](C)[NH2+]1 ZINC000564969599 327290206 /nfs/dbraw/zinc/29/02/06/327290206.db2.gz VEHYTKCJDCSYDA-UPJWGTAASA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])N(C)C1CC1 ZINC000574413093 327330962 /nfs/dbraw/zinc/33/09/62/327330962.db2.gz HMFVQAZEESKRQR-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000564991411 327343364 /nfs/dbraw/zinc/34/33/64/327343364.db2.gz TYAKHIBADQISDY-MDZLAQPJSA-N 1 3 284.404 -0.328 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1C[NH2+]C1 ZINC000561256977 327380214 /nfs/dbraw/zinc/38/02/14/327380214.db2.gz OBJBUXXDPGFMIJ-NEPJUHHUSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCCN(C)C ZINC000569623086 327383663 /nfs/dbraw/zinc/38/36/63/327383663.db2.gz JPLDCIVYTUXZDQ-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+](C)C ZINC000566497117 327399655 /nfs/dbraw/zinc/39/96/55/327399655.db2.gz XBTOBGWYDVHWFG-TUAOUCFPSA-N 1 3 282.388 -0.657 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566984605 327515171 /nfs/dbraw/zinc/51/51/71/327515171.db2.gz MYIJZEGZOZHICR-OUAUKWLOSA-N 1 3 280.372 -0.855 20 0 CBADHO CC1(CNC(=O)CCOC2CNC2)CC[NH2+]CC1 ZINC000570037448 327564254 /nfs/dbraw/zinc/56/42/54/327564254.db2.gz ZRYRUVFANACCDM-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CCC(=O)OC)C1 ZINC000584350118 328730516 /nfs/dbraw/zinc/73/05/16/328730516.db2.gz OZMMKSLBGDIXBG-VHSXEESVSA-N 1 3 257.334 -0.523 20 0 CBADHO COC[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582541872 329109107 /nfs/dbraw/zinc/10/91/07/329109107.db2.gz RARVEHNJWUFEQT-NWDGAFQWSA-N 1 3 273.377 -0.829 20 0 CBADHO COC[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000582541872 329109109 /nfs/dbraw/zinc/10/91/09/329109109.db2.gz RARVEHNJWUFEQT-NWDGAFQWSA-N 1 3 273.377 -0.829 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582604806 329114703 /nfs/dbraw/zinc/11/47/03/329114703.db2.gz GCDOBTFUULDGBU-IJLUTSLNSA-N 1 3 255.362 -0.192 20 0 CBADHO COC(=O)C1CC[NH+](CCCNC(=O)CN)CC1 ZINC000582846901 329279305 /nfs/dbraw/zinc/27/93/05/329279305.db2.gz UGTUEVYYLWOYAR-UHFFFAOYSA-N 1 3 257.334 -0.664 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000582894795 329282224 /nfs/dbraw/zinc/28/22/24/329282224.db2.gz POCXMSLSSWLTAH-WDEREUQCSA-N 1 3 255.366 -0.977 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000583145931 329322428 /nfs/dbraw/zinc/32/24/28/329322428.db2.gz CVLAEBFKMIMLBE-BETUJISGSA-N 1 3 294.399 -0.510 20 0 CBADHO CCC[C@](C)([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583214716 329370370 /nfs/dbraw/zinc/37/03/70/329370370.db2.gz JFFPMAPJPDAVRJ-KWBADKCTSA-N 1 3 268.361 -0.726 20 0 CBADHO NC[C@H]1C[N@H+](CCCN2CCOCC2)CCCO1 ZINC000572410380 330064414 /nfs/dbraw/zinc/06/44/14/330064414.db2.gz YHCNWGMBXUNHJO-ZDUSSCGKSA-N 1 3 257.378 -0.242 20 0 CBADHO NC[C@H]1C[N@@H+](CCCN2CCOCC2)CCCO1 ZINC000572410380 330064415 /nfs/dbraw/zinc/06/44/15/330064415.db2.gz YHCNWGMBXUNHJO-ZDUSSCGKSA-N 1 3 257.378 -0.242 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569240039 334863358 /nfs/dbraw/zinc/86/33/58/334863358.db2.gz GIHKBTINJIYRLC-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000575869637 335126564 /nfs/dbraw/zinc/12/65/64/335126564.db2.gz FGTRKUGRIVIEJY-AAEUAGOBSA-N 1 3 284.404 -0.266 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576092315 335152117 /nfs/dbraw/zinc/15/21/17/335152117.db2.gz HLMXRUPAASQVGR-GRYCIOLGSA-N 1 3 254.378 -0.606 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000576220067 335172242 /nfs/dbraw/zinc/17/22/42/335172242.db2.gz BRYZDSNVPWBRIL-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC)C[C@@H](C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000576220067 335172243 /nfs/dbraw/zinc/17/22/43/335172243.db2.gz BRYZDSNVPWBRIL-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO COCCN1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000564326009 334103793 /nfs/dbraw/zinc/10/37/93/334103793.db2.gz DDLFWPSAWAYWRW-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000567573505 334359861 /nfs/dbraw/zinc/35/98/61/334359861.db2.gz ILHJUACESYKJNS-CMPLNLGQSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000567573505 334359862 /nfs/dbraw/zinc/35/98/62/334359862.db2.gz ILHJUACESYKJNS-CMPLNLGQSA-N 1 3 280.372 -0.983 20 0 CBADHO C[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000564981254 334532193 /nfs/dbraw/zinc/53/21/93/334532193.db2.gz ONGMJEITKVIHAB-QMMMGPOBSA-N 1 3 286.357 -0.791 20 0 CBADHO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3C[C@H](O)CN3)cc2C1 ZINC000564992731 334533051 /nfs/dbraw/zinc/53/30/51/334533051.db2.gz BLJUTUJXCZPNOX-SUZMYJTESA-N 1 3 276.340 -0.441 20 0 CBADHO CCN(CC)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565237040 334547283 /nfs/dbraw/zinc/54/72/83/334547283.db2.gz AZJAAOWGCPLULJ-WDEREUQCSA-N 1 3 268.361 -0.901 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566188712 334634094 /nfs/dbraw/zinc/63/40/94/334634094.db2.gz GPAOAZGBDKPJAO-NEPJUHHUSA-N 1 3 286.445 -0.427 20 0 CBADHO CCCN(C(=O)[C@@H](N)CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC000566237183 334637615 /nfs/dbraw/zinc/63/76/15/334637615.db2.gz MJTDNSNZQCCVSQ-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566236620 334637741 /nfs/dbraw/zinc/63/77/41/334637741.db2.gz HQHGRAZXGBPEEN-MNOVXSKESA-N 1 3 272.393 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566247092 334638492 /nfs/dbraw/zinc/63/84/92/334638492.db2.gz RCRAKCMYEOJWTN-AAEUAGOBSA-N 1 3 272.393 -0.425 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000567112003 334682252 /nfs/dbraw/zinc/68/22/52/334682252.db2.gz JJBQLHCRHIUHHY-IUCAKERBSA-N 1 3 257.334 -0.476 20 0 CBADHO O=C(C[C@H]1C[NH2+]CCO1)N1CCN2CCC1CC2 ZINC000567822728 334764867 /nfs/dbraw/zinc/76/48/67/334764867.db2.gz OGMCFTUYHKUKIJ-LBPRGKRZSA-N 1 3 253.346 -0.329 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567900026 334773566 /nfs/dbraw/zinc/77/35/66/334773566.db2.gz HRXVSHVKDYVLNP-MDZLAQPJSA-N 1 3 284.404 -0.280 20 0 CBADHO NC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCCC1 ZINC000572763177 334876554 /nfs/dbraw/zinc/87/65/54/334876554.db2.gz RFSDULZKYZPJFP-LBPRGKRZSA-N 1 3 296.415 -0.039 20 0 CBADHO C[C@@H](NC(=O)C1(C)C[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000576463869 335206994 /nfs/dbraw/zinc/20/69/94/335206994.db2.gz WGLYYUBZNZBJOF-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000576826875 335252968 /nfs/dbraw/zinc/25/29/68/335252968.db2.gz UYVMHOFSEUMBHC-WZRBSPASSA-N 1 3 282.388 -0.846 20 0 CBADHO [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3CCCC[C@H]3O)CCN2C1=O ZINC000576837238 335254364 /nfs/dbraw/zinc/25/43/64/335254364.db2.gz GJDBXUMZQZFLDQ-UMSGYPCISA-N 1 3 267.373 -0.219 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000576943368 335267233 /nfs/dbraw/zinc/26/72/33/335267233.db2.gz FILREGIJNKYZPG-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580775403 335273405 /nfs/dbraw/zinc/27/34/05/335273405.db2.gz VECCSQXSUOERQQ-WZRBSPASSA-N 1 3 282.388 -0.704 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000577062361 335293565 /nfs/dbraw/zinc/29/35/65/335293565.db2.gz HOAIRPAMXMIYFR-NSHDSACASA-N 1 3 271.361 -0.274 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NCCNc1ccncc1 ZINC000580643551 335309964 /nfs/dbraw/zinc/30/99/64/335309964.db2.gz FTHBHIWSWWCQHR-UHFFFAOYSA-N 1 3 278.356 -0.200 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000580650198 335311691 /nfs/dbraw/zinc/31/16/91/335311691.db2.gz RJTRKIBAXGBJGA-FOGDFJRCSA-N 1 3 270.377 -0.657 20 0 CBADHO C[C@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)C1C[NH2+]C1 ZINC000577219883 335324868 /nfs/dbraw/zinc/32/48/68/335324868.db2.gz HUGGLPVREOLQRF-QMMMGPOBSA-N 1 3 279.348 -0.992 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+](C)C ZINC000577232147 335327765 /nfs/dbraw/zinc/32/77/65/335327765.db2.gz XBTOBGWYDVHWFG-QJPTWQEYSA-N 1 3 282.388 -0.657 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577270577 335332497 /nfs/dbraw/zinc/33/24/97/335332497.db2.gz NEFKJEMIQRAJBL-WXHSDQCUSA-N 1 3 294.399 -0.465 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CSCCN2)[C@@H](C[NH3+])C1 ZINC000577371417 335342204 /nfs/dbraw/zinc/34/22/04/335342204.db2.gz BAJSVWQMNDXRLF-MNOVXSKESA-N 1 3 272.418 -0.817 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CCCN1CCC(O)CC1)C1CC1 ZINC000577493174 335358842 /nfs/dbraw/zinc/35/88/42/335358842.db2.gz WIZXFAHCGPLDQX-HNNXBMFYSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000577509712 335362513 /nfs/dbraw/zinc/36/25/13/335362513.db2.gz UDBBQGRPVCLKCV-NEPJUHHUSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000577509712 335362515 /nfs/dbraw/zinc/36/25/15/335362515.db2.gz UDBBQGRPVCLKCV-NEPJUHHUSA-N 1 3 295.387 -0.966 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)CCC[NH3+])CC1 ZINC000577607484 335377362 /nfs/dbraw/zinc/37/73/62/335377362.db2.gz SAUBXALNABHOHI-GFCCVEGCSA-N 1 3 257.378 -0.066 20 0 CBADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579252865 335728262 /nfs/dbraw/zinc/72/82/62/335728262.db2.gz GOEKERHVEMNNAA-OXIQGZBJSA-N 1 3 294.399 -0.336 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000581193980 336022743 /nfs/dbraw/zinc/02/27/43/336022743.db2.gz ZCUKCAIDMUNJGT-GVXVVHGQSA-N 1 3 284.404 -0.471 20 0 CBADHO Cn1ccnc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1=O ZINC000581194240 336022809 /nfs/dbraw/zinc/02/28/09/336022809.db2.gz XYBUGQOLVCGNDT-ZDUSSCGKSA-N 1 3 291.399 -0.098 20 0 CBADHO [NH3+]C[C@H](NC(=O)C[C@@H]1CNCCO1)C1CCCC1 ZINC000581309812 336045433 /nfs/dbraw/zinc/04/54/33/336045433.db2.gz SBRRFBCXTQORJM-NEPJUHHUSA-N 1 3 255.362 -0.001 20 0 CBADHO COC(=O)CCN(CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000581370579 336063038 /nfs/dbraw/zinc/06/30/38/336063038.db2.gz DEDCEXGFXWCZLO-CQSZACIVSA-N 1 3 299.415 -0.064 20 0 CBADHO CS(=O)(=O)NCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581608498 336111666 /nfs/dbraw/zinc/11/16/66/336111666.db2.gz OWBSSZHIMQGYAL-RYUDHWBXSA-N 1 3 275.418 -0.143 20 0 CBADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998023 336187769 /nfs/dbraw/zinc/18/77/69/336187769.db2.gz PLJUPRHRPXTCTR-CVEARBPZSA-N 1 3 298.475 -0.084 20 0 CBADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998023 336187770 /nfs/dbraw/zinc/18/77/70/336187770.db2.gz PLJUPRHRPXTCTR-CVEARBPZSA-N 1 3 298.475 -0.084 20 0 CBADHO COCCN(C)CCNC(=S)NCCC[NH+](C)C ZINC000726907398 582139448 /nfs/dbraw/zinc/13/94/48/582139448.db2.gz IYARUJUIVSCVRL-UHFFFAOYSA-N 1 3 276.450 -0.020 20 0 CBADHO C[C@H](C(N)=O)N(C)CCCC[N@H+](C)[C@H](C)C(N)=O ZINC000735672373 582187354 /nfs/dbraw/zinc/18/73/54/582187354.db2.gz PETZVIUIXWLHPV-NXEZZACHSA-N 1 3 258.366 -0.622 20 0 CBADHO C[C@H](C(N)=O)N(C)CCCC[N@@H+](C)[C@H](C)C(N)=O ZINC000735672373 582187355 /nfs/dbraw/zinc/18/73/55/582187355.db2.gz PETZVIUIXWLHPV-NXEZZACHSA-N 1 3 258.366 -0.622 20 0 CBADHO C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176312 524161273 /nfs/dbraw/zinc/16/12/73/524161273.db2.gz SRHYEMINTYZBQQ-WDEREUQCSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@H](CC[NH+](C)C)NS(=O)(=O)N1CCNCC1 ZINC000049560542 524164003 /nfs/dbraw/zinc/16/40/03/524164003.db2.gz PWCQSRZERLOMFU-SNVBAGLBSA-N 1 3 264.395 -0.934 20 0 CBADHO CC[C@H]1CN(CCOCC[NH3+])CCN1C[C@@H](C)O ZINC000357077967 536150947 /nfs/dbraw/zinc/15/09/47/536150947.db2.gz JOPUVZVYDIVBGN-OLZOCXBDSA-N 1 3 259.394 -0.261 20 0 CBADHO C[NH+](C)CCOCCNC(=O)COC1(C)CNC1 ZINC000234261580 582129967 /nfs/dbraw/zinc/12/99/67/582129967.db2.gz OVXPWRJYQLXMBV-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO O[C@@H](CN1CCN([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871544 582161236 /nfs/dbraw/zinc/16/12/36/582161236.db2.gz JZITVLMVJBDFBB-OWCLPIDISA-N 1 3 297.443 -0.026 20 0 CBADHO NC(=O)C[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498527 582299527 /nfs/dbraw/zinc/29/95/27/582299527.db2.gz LQGPGWUIOUGNBG-UONOGXRCSA-N 1 3 299.415 -0.297 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000783919016 582373047 /nfs/dbraw/zinc/37/30/47/582373047.db2.gz WSHLJMNXNLEOMV-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000783919016 582373048 /nfs/dbraw/zinc/37/30/48/582373048.db2.gz WSHLJMNXNLEOMV-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000783919015 582373059 /nfs/dbraw/zinc/37/30/59/582373059.db2.gz WSHLJMNXNLEOMV-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000783919015 582373060 /nfs/dbraw/zinc/37/30/60/582373060.db2.gz WSHLJMNXNLEOMV-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO C[NH+]1CCC(CN2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000788480039 582386235 /nfs/dbraw/zinc/38/62/35/582386235.db2.gz GNTVKGFUKSHSAC-GFCCVEGCSA-N 1 3 275.418 -0.048 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N1CCCCC1 ZINC000793704631 582398393 /nfs/dbraw/zinc/39/83/93/582398393.db2.gz YZRPLHGPWQJJGL-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@]1(C(N)=O)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796581448 582412038 /nfs/dbraw/zinc/41/20/38/582412038.db2.gz QGSCYFFHHIPUPY-DGCLKSJQSA-N 1 3 255.362 -0.360 20 0 CBADHO O=C1N[C@H]2CC[N@@H+](C[C@H](O)CN3CCCC3)C[C@@H]2CO1 ZINC000799180174 582419371 /nfs/dbraw/zinc/41/93/71/582419371.db2.gz QCHXVJXQZWRBHS-UPJWGTAASA-N 1 3 283.372 -0.127 20 0 CBADHO O=C1N[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3)C[C@@H]2CO1 ZINC000799180174 582419372 /nfs/dbraw/zinc/41/93/72/582419372.db2.gz QCHXVJXQZWRBHS-UPJWGTAASA-N 1 3 283.372 -0.127 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnn(C)n1 ZINC000807571201 582439932 /nfs/dbraw/zinc/43/99/32/582439932.db2.gz SDMGJXRDKZNRKV-UHFFFAOYSA-N 1 3 297.407 -0.550 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnnn1C ZINC000809909256 582447260 /nfs/dbraw/zinc/44/72/60/582447260.db2.gz VGFUVSMGTSIZSM-UHFFFAOYSA-N 1 3 283.380 -0.228 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000816619083 582478005 /nfs/dbraw/zinc/47/80/05/582478005.db2.gz SHHRXMWGWOYPLO-GFCCVEGCSA-N 1 3 269.389 -0.101 20 0 CBADHO CCNCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000818594358 582512436 /nfs/dbraw/zinc/51/24/36/582512436.db2.gz MISCJIKYPCPEIH-SECBINFHSA-N 1 3 282.310 -0.452 20 0 CBADHO CN(CCO)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC000825526520 582738897 /nfs/dbraw/zinc/73/88/97/582738897.db2.gz IKZFCEPTEUZWOM-UHFFFAOYSA-N 1 3 287.404 -0.520 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828956271 582878265 /nfs/dbraw/zinc/87/82/65/582878265.db2.gz LFLQEMUKESXJKC-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716117 582896009 /nfs/dbraw/zinc/89/60/09/582896009.db2.gz VQESVUOEVMMDIB-UKRRQHHQSA-N 1 3 298.406 -0.074 20 0 CBADHO CN(CCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000829750249 582897828 /nfs/dbraw/zinc/89/78/28/582897828.db2.gz QFSMSNWFKQGUQW-UHFFFAOYSA-N 1 3 273.377 -0.863 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000830240016 582927548 /nfs/dbraw/zinc/92/75/48/582927548.db2.gz FVPATBZCZQHMCN-AWEZNQCLSA-N 1 3 286.395 -0.216 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000830240017 582927611 /nfs/dbraw/zinc/92/76/11/582927611.db2.gz FVPATBZCZQHMCN-CQSZACIVSA-N 1 3 286.395 -0.216 20 0 CBADHO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@]1(F)CCNC1 ZINC000831683660 582993802 /nfs/dbraw/zinc/99/38/02/582993802.db2.gz XUBQQBRMAVYYPQ-YPMHNXCESA-N 1 3 270.352 -0.806 20 0 CBADHO CCO[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000831737119 582999791 /nfs/dbraw/zinc/99/97/91/582999791.db2.gz CPYCBASAEAFCAE-KGLIPLIRSA-N 1 3 298.431 -0.541 20 0 CBADHO CCO[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000831737120 582999818 /nfs/dbraw/zinc/99/98/18/582999818.db2.gz CPYCBASAEAFCAE-UONOGXRCSA-N 1 3 298.431 -0.541 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000831822643 583004117 /nfs/dbraw/zinc/00/41/17/583004117.db2.gz JYSARUDFPUBLCT-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H](CCC[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000834813741 583136937 /nfs/dbraw/zinc/13/69/37/583136937.db2.gz VTVOIUNNOCVPHV-MRVPVSSYSA-N 1 3 251.334 -0.087 20 0 CBADHO O=C(NC[C@H]1C[NH2+]CCCO1)c1[nH]nc2c1CNCC2 ZINC000834862680 583138002 /nfs/dbraw/zinc/13/80/02/583138002.db2.gz WEFINRFRYDTBRH-SECBINFHSA-N 1 3 279.344 -0.836 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841790823 583174342 /nfs/dbraw/zinc/17/43/42/583174342.db2.gz KSGOXHPYIKRGJG-RWMBFGLXSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790759 583174460 /nfs/dbraw/zinc/17/44/60/583174460.db2.gz JDIBMNFFJJBZMD-RWMBFGLXSA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@@H](C)N1 ZINC000841854706 583175169 /nfs/dbraw/zinc/17/51/69/583175169.db2.gz GJYMTPMDRQDKQY-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)N(CC[NH3+])CCO ZINC000841857380 583175346 /nfs/dbraw/zinc/17/53/46/583175346.db2.gz XHLNKVDJEYQABW-LBPRGKRZSA-N 1 3 272.393 -0.177 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842014290 583177784 /nfs/dbraw/zinc/17/77/84/583177784.db2.gz BTARHBCISALHNN-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016914 583177987 /nfs/dbraw/zinc/17/79/87/583177987.db2.gz ZNZLGMSLSUUCQB-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCCCC1 ZINC000842016534 583178065 /nfs/dbraw/zinc/17/80/65/583178065.db2.gz WUPVNURUEWVDEQ-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015575 583178128 /nfs/dbraw/zinc/17/81/28/583178128.db2.gz LYZRUVYYQJQWQS-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCCCC1 ZINC000842016530 583178236 /nfs/dbraw/zinc/17/82/36/583178236.db2.gz WUPVNURUEWVDEQ-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000842255029 583182177 /nfs/dbraw/zinc/18/21/77/583182177.db2.gz QKPVTWXQODNVND-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CON(C)C(=O)CC[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000843061808 583199127 /nfs/dbraw/zinc/19/91/27/583199127.db2.gz IKVJSTGNTKSPIA-GFCCVEGCSA-N 1 3 273.377 -0.167 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843489436 583227894 /nfs/dbraw/zinc/22/78/94/583227894.db2.gz OFANLNRBOYIRAT-LBPRGKRZSA-N 1 3 261.341 -0.275 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181279 583258428 /nfs/dbraw/zinc/25/84/28/583258428.db2.gz WYNYVKGFQBZHGF-OBPIAQAESA-N 1 3 265.357 -0.569 20 0 CBADHO COCCN(C)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844182604 583259025 /nfs/dbraw/zinc/25/90/25/583259025.db2.gz UGDLCASCYRUUJQ-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO CC[NH2+]CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000844192052 583259885 /nfs/dbraw/zinc/25/98/85/583259885.db2.gz GCCPDABEBRGREL-GFCCVEGCSA-N 1 3 256.394 -0.404 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674477 583382195 /nfs/dbraw/zinc/38/21/95/583382195.db2.gz YZBMLYSFEJYXCR-XPCVCDNBSA-N 1 3 295.383 -0.798 20 0 CBADHO CN(C)CCONC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848160287 583434873 /nfs/dbraw/zinc/43/48/73/583434873.db2.gz SAAUZFGXWAKXCN-UHFFFAOYSA-N 1 3 269.349 -0.332 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCN1C ZINC000849008015 583467441 /nfs/dbraw/zinc/46/74/41/583467441.db2.gz LRJZGMOZWLQRMF-ZIAGYGMSSA-N 1 3 296.463 -0.170 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCN1C ZINC000849008014 583467499 /nfs/dbraw/zinc/46/74/99/583467499.db2.gz LRJZGMOZWLQRMF-UONOGXRCSA-N 1 3 296.463 -0.170 20 0 CBADHO COCCNC(=[NH2+])NCCCN(C)CCN(C)C ZINC000849028283 583469576 /nfs/dbraw/zinc/46/95/76/583469576.db2.gz OOAYRXWQCDSLJR-UHFFFAOYSA-N 1 3 259.398 -0.370 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849041098 583471022 /nfs/dbraw/zinc/47/10/22/583471022.db2.gz KCOHRHVVZKFSDW-VXGBXAGGSA-N 1 3 295.391 -0.763 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CNC(=O)C1 ZINC000849041473 583471360 /nfs/dbraw/zinc/47/13/60/583471360.db2.gz GMXSGOBONMJEEO-MNOVXSKESA-N 1 3 267.377 -0.279 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000851656433 583518272 /nfs/dbraw/zinc/51/82/72/583518272.db2.gz LCTUZZQFZVWCTC-QJPTWQEYSA-N 1 3 270.377 -0.243 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000851668161 583519348 /nfs/dbraw/zinc/51/93/48/583519348.db2.gz RYOOYVPOSAXODH-HTQZYQBOSA-N 1 3 250.293 -0.109 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000851687287 583521476 /nfs/dbraw/zinc/52/14/76/583521476.db2.gz PTIDIDRLQZYHTM-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000851690495 583522255 /nfs/dbraw/zinc/52/22/55/583522255.db2.gz DIIGWCSVBSDQGS-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852790054 583552700 /nfs/dbraw/zinc/55/27/00/583552700.db2.gz NRRFLRZYARSVFR-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO NC[C@@H]1CC(C(=O)NCCC[NH2+]Cc2cccnc2)=NO1 ZINC000852792801 583552709 /nfs/dbraw/zinc/55/27/09/583552709.db2.gz CZXQXFUOQUXQHJ-LBPRGKRZSA-N 1 3 291.355 -0.219 20 0 CBADHO C[C@H](NC(=O)C1=NO[C@H](CN)C1)[C@@H]1CCC[NH2+]C1 ZINC000852794877 583553033 /nfs/dbraw/zinc/55/30/33/583553033.db2.gz SVGOFAICTXTCOB-AEJSXWLSSA-N 1 3 254.334 -0.406 20 0 CBADHO CCCN(C(=O)C1=NO[C@H](CN)C1)[C@@H]1CC[NH2+]C1 ZINC000852796746 583553043 /nfs/dbraw/zinc/55/30/43/583553043.db2.gz WZEDJQZTMXIAMJ-ZJUUUORDSA-N 1 3 254.334 -0.310 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@H](C)N1 ZINC000852824684 583556491 /nfs/dbraw/zinc/55/64/91/583556491.db2.gz DWVJZXZTNPBJRH-TUAOUCFPSA-N 1 3 267.373 -0.036 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@H]1NCC12CCOCC2 ZINC000852825686 583556892 /nfs/dbraw/zinc/55/68/92/583556892.db2.gz NQQCZRLBSZORDH-LLVKDONJSA-N 1 3 255.362 -0.129 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(F)CCNC1 ZINC000852846909 583559889 /nfs/dbraw/zinc/55/98/89/583559889.db2.gz LMMIBXVJFQMMSX-ZDUSSCGKSA-N 1 3 274.384 -0.312 20 0 CBADHO NC[C@@H]1CC(C(=O)NC2CC[NH+](C3CC3)CC2)=NO1 ZINC000852857246 583561739 /nfs/dbraw/zinc/56/17/39/583561739.db2.gz NBYPVIUXGNCQPC-NSHDSACASA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859317 583562061 /nfs/dbraw/zinc/56/20/61/583562061.db2.gz RMCQVMPKXMNIKC-AXFHLTTASA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859317 583562062 /nfs/dbraw/zinc/56/20/62/583562062.db2.gz RMCQVMPKXMNIKC-AXFHLTTASA-N 1 3 266.345 -0.167 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852860373 583562435 /nfs/dbraw/zinc/56/24/35/583562435.db2.gz DBSFIXQWGFJVBR-KOLCDFICSA-N 1 3 254.334 -0.454 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)=NO1 ZINC000852860604 583562538 /nfs/dbraw/zinc/56/25/38/583562538.db2.gz SRGWYTPRRDLZSY-HOSYDEDBSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)=NO1 ZINC000852860604 583562540 /nfs/dbraw/zinc/56/25/40/583562540.db2.gz SRGWYTPRRDLZSY-HOSYDEDBSA-N 1 3 266.345 -0.167 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852861784 583562916 /nfs/dbraw/zinc/56/29/16/583562916.db2.gz JPDWONYSXHDOIV-ZJUUUORDSA-N 1 3 256.350 -0.064 20 0 CBADHO [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCN(C3CC3)C2)=NO1 ZINC000852863120 583563325 /nfs/dbraw/zinc/56/33/25/583563325.db2.gz QPLCMYYMZFSRKK-WCBMZHEXSA-N 1 3 252.318 -0.557 20 0 CBADHO C[NH+]1CCC(CNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852863391 583563340 /nfs/dbraw/zinc/56/33/40/583563340.db2.gz MZFOFQARQMFGRL-SNVBAGLBSA-N 1 3 254.334 -0.452 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000852864296 583563668 /nfs/dbraw/zinc/56/36/68/583563668.db2.gz RJOGELXTWSXJRT-NDBYEHHHSA-N 1 3 283.372 -0.670 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)C2=NO[C@H](CN)C2)n1 ZINC000852864501 583563750 /nfs/dbraw/zinc/56/37/50/583563750.db2.gz XVPNYHBFMZHOIT-VIFPVBQESA-N 1 3 280.332 -0.513 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865621 583564150 /nfs/dbraw/zinc/56/41/50/583564150.db2.gz JZUCHMBUROYGQY-QWRGUYRKSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865621 583564151 /nfs/dbraw/zinc/56/41/51/583564151.db2.gz JZUCHMBUROYGQY-QWRGUYRKSA-N 1 3 266.345 -0.310 20 0 CBADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000852865418 583564156 /nfs/dbraw/zinc/56/41/56/583564156.db2.gz BVAVKELATLHRIE-WDEREUQCSA-N 1 3 266.345 -0.215 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC000852873122 583565505 /nfs/dbraw/zinc/56/55/05/583565505.db2.gz PNFNGXIJWBWYBA-NWDGAFQWSA-N 1 3 297.403 -0.910 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852878013 583566332 /nfs/dbraw/zinc/56/63/32/583566332.db2.gz LFWWCZIDONQVFG-XHNCKOQMSA-N 1 3 258.297 -0.752 20 0 CBADHO CC[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CC[C@H]1[NH3+] ZINC000852879209 583566451 /nfs/dbraw/zinc/56/64/51/583566451.db2.gz RUAKIDOWIPKAGM-KXUCPTDWSA-N 1 3 254.334 -0.324 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H](CC[NH3+])C2)=NO1 ZINC000852879796 583566903 /nfs/dbraw/zinc/56/69/03/583566903.db2.gz ZMWVDNKHNWMBCY-UWVGGRQHSA-N 1 3 254.334 -0.323 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCCC[C@H]2CC[NH3+])=NO1 ZINC000852881689 583567117 /nfs/dbraw/zinc/56/71/17/583567117.db2.gz ZOOQMARDQBJXJB-VHSXEESVSA-N 1 3 254.334 -0.180 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000852881543 583567166 /nfs/dbraw/zinc/56/71/66/583567166.db2.gz MHOLHWTUKHECKS-XHNCKOQMSA-N 1 3 263.288 -0.536 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882647 583567458 /nfs/dbraw/zinc/56/74/58/583567458.db2.gz NRPIFXJMUYTREE-WOPDTQHZSA-N 1 3 280.372 -0.062 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884553 583568069 /nfs/dbraw/zinc/56/80/69/583568069.db2.gz HRVWOFKGEPKQAJ-LBPRGKRZSA-N 1 3 297.403 -0.814 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852886175 583568782 /nfs/dbraw/zinc/56/87/82/583568782.db2.gz YTYPYVJCMWWFSE-NXEZZACHSA-N 1 3 254.334 -0.357 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H](C[NH3+])C2CCCC2)=NO1 ZINC000852889519 583569745 /nfs/dbraw/zinc/56/97/45/583569745.db2.gz FGWCRAUEBZKPIV-KOLCDFICSA-N 1 3 254.334 -0.276 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892320 583570322 /nfs/dbraw/zinc/57/03/22/583570322.db2.gz DKRFBTXVDOKPEH-VHSXEESVSA-N 1 3 266.345 -0.119 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893778 583570666 /nfs/dbraw/zinc/57/06/66/583570666.db2.gz JUTSAHIHACYSEF-ONGXEEELSA-N 1 3 266.345 -0.119 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC(CC[NH3+])CC2)=NO1 ZINC000852896237 583571259 /nfs/dbraw/zinc/57/12/59/583571259.db2.gz WAMSIQDKIWVTNV-SNVBAGLBSA-N 1 3 254.334 -0.323 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000857107237 583664980 /nfs/dbraw/zinc/66/49/80/583664980.db2.gz PIQIFALQQLZMIK-NSHDSACASA-N 1 3 287.408 -0.615 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000861740785 583782649 /nfs/dbraw/zinc/78/26/49/583782649.db2.gz VNISEAGIIXBYPZ-VIFPVBQESA-N 1 3 256.350 -0.998 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000861756643 583784542 /nfs/dbraw/zinc/78/45/42/583784542.db2.gz FMEQHWTYRSFWHZ-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000861763230 583785104 /nfs/dbraw/zinc/78/51/04/583785104.db2.gz MGEKIAYFUYGOKH-ZJUUUORDSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000861765245 583785372 /nfs/dbraw/zinc/78/53/72/583785372.db2.gz OZMRPULKKVNDMA-CMPLNLGQSA-N 1 3 282.388 -0.608 20 0 CBADHO CCOC(=O)[C@@H]1NCC[C@H]1NCCOCCC[NH3+] ZINC000863548228 583846142 /nfs/dbraw/zinc/84/61/42/583846142.db2.gz VYAVICJISCFBSI-GHMZBOCLSA-N 1 3 259.350 -0.765 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000863753895 583852794 /nfs/dbraw/zinc/85/27/94/583852794.db2.gz KQUFAKFAJKWNSM-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000863767100 583855228 /nfs/dbraw/zinc/85/52/28/583855228.db2.gz JMGSOSICHOVFAJ-SNVBAGLBSA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000863769562 583855685 /nfs/dbraw/zinc/85/56/85/583855685.db2.gz LFZYVCFOQDYKGD-MNOVXSKESA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nccc(N)n1 ZINC000866019886 583914711 /nfs/dbraw/zinc/91/47/11/583914711.db2.gz WMXKXIRNLVQCDW-NSHDSACASA-N 1 3 294.403 -0.109 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nccc(N)n1 ZINC000866019886 583914712 /nfs/dbraw/zinc/91/47/12/583914712.db2.gz WMXKXIRNLVQCDW-NSHDSACASA-N 1 3 294.403 -0.109 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554164 583924076 /nfs/dbraw/zinc/92/40/76/583924076.db2.gz GAZPJVIPFBMPAU-IPYPFGDCSA-N 1 3 297.399 -0.314 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554164 583924079 /nfs/dbraw/zinc/92/40/79/583924079.db2.gz GAZPJVIPFBMPAU-IPYPFGDCSA-N 1 3 297.399 -0.314 20 0 CBADHO Cn1nnnc1CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000866661210 583926257 /nfs/dbraw/zinc/92/62/57/583926257.db2.gz QFIKGPYJUSCNME-AXFHLTTASA-N 1 3 250.350 -0.188 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702044 583927715 /nfs/dbraw/zinc/92/77/15/583927715.db2.gz SQPKLEXRNZAEID-MXWKQRLJSA-N 1 3 251.330 -0.467 20 0 CBADHO CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@H]2C1=O ZINC000866702044 583927717 /nfs/dbraw/zinc/92/77/17/583927717.db2.gz SQPKLEXRNZAEID-MXWKQRLJSA-N 1 3 251.330 -0.467 20 0 CBADHO CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@H]2C1=O ZINC000866702044 583927720 /nfs/dbraw/zinc/92/77/20/583927720.db2.gz SQPKLEXRNZAEID-MXWKQRLJSA-N 1 3 251.330 -0.467 20 0 CBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000866708162 583927871 /nfs/dbraw/zinc/92/78/71/583927871.db2.gz DCDWEKNLFHJSSB-FVCCEPFGSA-N 1 3 281.356 -0.110 20 0 CBADHO COC[C@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711048 583928060 /nfs/dbraw/zinc/92/80/60/583928060.db2.gz AOAPJIFRUFRUSB-XQHKEYJVSA-N 1 3 299.371 -0.485 20 0 CBADHO COCCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711288 583928086 /nfs/dbraw/zinc/92/80/86/583928086.db2.gz HBHQGRXCYDYOSF-UTUOFQBUSA-N 1 3 269.345 -0.110 20 0 CBADHO O=C1NCCO[C@H]2CCCN(CC3CC[NH2+]CC3)[C@@H]12 ZINC000866717463 583928714 /nfs/dbraw/zinc/92/87/14/583928714.db2.gz GFDSAXLPKUVQQE-QWHCGFSZSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868395140 583977383 /nfs/dbraw/zinc/97/73/83/583977383.db2.gz HBDOOLURMLLEIX-VXGBXAGGSA-N 1 3 282.388 -0.654 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868395140 583977385 /nfs/dbraw/zinc/97/73/85/583977385.db2.gz HBDOOLURMLLEIX-VXGBXAGGSA-N 1 3 282.388 -0.654 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868403956 583977794 /nfs/dbraw/zinc/97/77/94/583977794.db2.gz BLXXMCIBANNFCY-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1(C)C ZINC000868405765 583977940 /nfs/dbraw/zinc/97/79/40/583977940.db2.gz KFRPTUSPTGDGEP-RYUDHWBXSA-N 1 3 294.399 -0.498 20 0 CBADHO CN1CCN(C(=O)CC[NH2+]CC2CC2)[C@H](CN)C1 ZINC000870938913 584022344 /nfs/dbraw/zinc/02/23/44/584022344.db2.gz WHGLBWNZJQOXTO-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C1OC[C@]2(C[NH2+]C[C@@H](O)CN3CCCC3)COCCN12 ZINC000872227456 584051521 /nfs/dbraw/zinc/05/15/21/584051521.db2.gz FHPYSCQBEZMTAL-OCCSQVGLSA-N 1 3 299.371 -0.746 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1=NO[C@@H](CN)C1)C2 ZINC000872263375 584052663 /nfs/dbraw/zinc/05/26/63/584052663.db2.gz DCFOLCPDEFNXRQ-WQAKAFBOSA-N 1 3 266.345 -0.452 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518009 584130891 /nfs/dbraw/zinc/13/08/91/584130891.db2.gz JNXXQNKUNFCQIB-ZDUSSCGKSA-N 1 3 264.373 -0.307 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](CN)C1 ZINC000876542318 584132318 /nfs/dbraw/zinc/13/23/18/584132318.db2.gz NXRUHLOOTKARMA-DCAQKATOSA-N 1 3 254.378 -0.539 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](CN)C1 ZINC000876542320 584132386 /nfs/dbraw/zinc/13/23/86/584132386.db2.gz NXRUHLOOTKARMA-GARJFASQSA-N 1 3 254.378 -0.539 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](CN)C1 ZINC000876542336 584132491 /nfs/dbraw/zinc/13/24/91/584132491.db2.gz NXRUHLOOTKARMA-VWYCJHECSA-N 1 3 254.378 -0.539 20 0 CBADHO CN1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](CN)C1 ZINC000876542014 584132560 /nfs/dbraw/zinc/13/25/60/584132560.db2.gz JFNCPVQYIKIWLJ-SCRDCRAPSA-N 1 3 266.389 -0.380 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)NCCCN2CCC(O)CC2)C1(F)F ZINC000876724201 584141026 /nfs/dbraw/zinc/14/10/26/584141026.db2.gz QFSIBMHQCZBWHI-GHMZBOCLSA-N 1 3 291.342 -0.211 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000876749606 584142490 /nfs/dbraw/zinc/14/24/90/584142490.db2.gz AQFAJEYODLZIOA-ZDUSSCGKSA-N 1 3 286.420 -0.508 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](N)CN(C)C ZINC000876777341 584143783 /nfs/dbraw/zinc/14/37/83/584143783.db2.gz VRJZQHOCKQTNAY-NEPJUHHUSA-N 1 3 274.409 -0.652 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(CN)cnn1C ZINC000876775755 584143993 /nfs/dbraw/zinc/14/39/93/584143993.db2.gz FLHNCIUFQVXNLK-GFCCVEGCSA-N 1 3 297.403 -0.035 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876791786 584144806 /nfs/dbraw/zinc/14/48/06/584144806.db2.gz NQRZKHDWAKWUEQ-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO COCCNCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876792868 584145082 /nfs/dbraw/zinc/14/50/82/584145082.db2.gz WRIBWCHAUMRRFV-YPMHNXCESA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(CN1CCNCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793001 584145260 /nfs/dbraw/zinc/14/52/60/584145260.db2.gz COKFHOLHUHFJCD-UHFFFAOYSA-N 1 3 266.389 -0.506 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876837326 584148502 /nfs/dbraw/zinc/14/85/02/584148502.db2.gz AVGKVPGEVUBUSB-MJBXVCDLSA-N 1 3 276.384 -0.171 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876878547 584152530 /nfs/dbraw/zinc/15/25/30/584152530.db2.gz GDTUZLIEFQPTPQ-VXGBXAGGSA-N 1 3 275.368 -0.029 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876890389 584153692 /nfs/dbraw/zinc/15/36/92/584153692.db2.gz XVKSYEWBBZZIIE-MNOVXSKESA-N 1 3 261.341 -0.372 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876916318 584155109 /nfs/dbraw/zinc/15/51/09/584155109.db2.gz AESCTCUROAMYQO-LOWVWBTDSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000876916439 584155174 /nfs/dbraw/zinc/15/51/74/584155174.db2.gz BMTNRVXJAZXWLX-QSKOYVBTSA-N 1 3 253.346 -0.353 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876916320 584155239 /nfs/dbraw/zinc/15/52/39/584155239.db2.gz AESCTCUROAMYQO-WZRBSPASSA-N 1 3 253.346 -0.377 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876917679 584155533 /nfs/dbraw/zinc/15/55/33/584155533.db2.gz AYHSPZSHBYWEDI-IHRRRGAJSA-N 1 3 298.431 -0.380 20 0 CBADHO C[C@@H]1CC2(CN1C(=O)[C@@H](N)CN(C)C)CC[NH2+]CC2 ZINC000876933274 584156399 /nfs/dbraw/zinc/15/63/99/584156399.db2.gz KYZXUKCXPGQYLE-NEPJUHHUSA-N 1 3 268.405 -0.134 20 0 CBADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000876946849 584157321 /nfs/dbraw/zinc/15/73/21/584157321.db2.gz WKBAYBHMRGHFGG-ZDUSSCGKSA-N 1 3 264.373 -0.089 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876965637 584158702 /nfs/dbraw/zinc/15/87/02/584158702.db2.gz JGOVJTUJHDFCIL-VXGBXAGGSA-N 1 3 298.431 -0.162 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006258 584161416 /nfs/dbraw/zinc/16/14/16/584161416.db2.gz ZCCMNMSNPANCPL-SCZZXKLOSA-N 1 3 252.318 -0.509 20 0 CBADHO C[NH2+]CC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877208310 584170567 /nfs/dbraw/zinc/17/05/67/584170567.db2.gz YCOWPMKRJWWUBB-UHFFFAOYSA-N 1 3 274.328 -0.438 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331954 584178824 /nfs/dbraw/zinc/17/88/24/584178824.db2.gz TVTAXFRTNDAFFN-WDEREUQCSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CN1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877338714 584179051 /nfs/dbraw/zinc/17/90/51/584179051.db2.gz KSDOHHJUFVBNFE-HNNXBMFYSA-N 1 3 288.395 -0.278 20 0 CBADHO NC1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000877336322 584179164 /nfs/dbraw/zinc/17/91/64/584179164.db2.gz JOSRWYQYIUEBKJ-SNVBAGLBSA-N 1 3 253.346 -0.247 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390094 584180555 /nfs/dbraw/zinc/18/05/55/584180555.db2.gz HUROBEAVRCJPCB-CWSCBRNRSA-N 1 3 269.345 -0.332 20 0 CBADHO CN1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000877982541 584189792 /nfs/dbraw/zinc/18/97/92/584189792.db2.gz WNGKVBFETFKRHD-VXGBXAGGSA-N 1 3 266.389 -0.652 20 0 CBADHO COCC[C@]1(NCC(=O)NC2CC[NH+](C)CC2)CCOC1 ZINC000878520196 584206599 /nfs/dbraw/zinc/20/65/99/584206599.db2.gz DCRZTTAXVKWWDF-HNNXBMFYSA-N 1 3 299.415 -0.018 20 0 CBADHO COC[C@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000883187053 584338983 /nfs/dbraw/zinc/33/89/83/584338983.db2.gz FEBUZYGRIWHBQZ-XQQFMLRXSA-N 1 3 260.378 -0.060 20 0 CBADHO O=C(NC1CC[NH2+]CC1)c1ccnc(N2CCNCC2)c1 ZINC000884005303 584355220 /nfs/dbraw/zinc/35/52/20/584355220.db2.gz BLSLCDVIWXFIHF-UHFFFAOYSA-N 1 3 289.383 -0.027 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)CC1CC1 ZINC000884027803 584356426 /nfs/dbraw/zinc/35/64/26/584356426.db2.gz NSGKLNCCNYJHHX-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@@H](NC(=O)c1ccnc(N2CCNCC2)c1)C1CC1 ZINC000884036879 584357054 /nfs/dbraw/zinc/35/70/54/584357054.db2.gz JQHPIPGRAMLASH-CYBMUJFWSA-N 1 3 289.383 -0.042 20 0 CBADHO CN1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@@H](CN)C1 ZINC000884042058 584357397 /nfs/dbraw/zinc/35/73/97/584357397.db2.gz PACLUCAXMMAICB-WDEREUQCSA-N 1 3 254.378 -0.667 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884234220 584368839 /nfs/dbraw/zinc/36/88/39/584368839.db2.gz MKODKGXEEVVWGH-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]CCN(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884243211 584369621 /nfs/dbraw/zinc/36/96/21/584369621.db2.gz YLDDAMDAJDAEMG-UHFFFAOYSA-N 1 3 277.372 -0.217 20 0 CBADHO N[C@H](CC1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285998 584372156 /nfs/dbraw/zinc/37/21/56/584372156.db2.gz WBLMQSXMXCKAAD-QWHCGFSZSA-N 1 3 266.389 -0.380 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300719 584372789 /nfs/dbraw/zinc/37/27/89/584372789.db2.gz GCDOBTFUULDGBU-UTUOFQBUSA-N 1 3 255.362 -0.192 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328613 584374682 /nfs/dbraw/zinc/37/46/82/584374682.db2.gz ULQBURJLSDKKHO-UTUOFQBUSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328613 584374683 /nfs/dbraw/zinc/37/46/83/584374683.db2.gz ULQBURJLSDKKHO-UTUOFQBUSA-N 1 3 255.362 -0.097 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000884348091 584375729 /nfs/dbraw/zinc/37/57/29/584375729.db2.gz NTEUYDUFBFAFIS-HBNTYKKESA-N 1 3 255.362 -0.003 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000884348089 584375757 /nfs/dbraw/zinc/37/57/57/584375757.db2.gz NTEUYDUFBFAFIS-AXFHLTTASA-N 1 3 255.362 -0.003 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884366131 584377031 /nfs/dbraw/zinc/37/70/31/584377031.db2.gz URMGWJJDVQTVNW-IUCAKERBSA-N 1 3 251.334 -0.266 20 0 CBADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](CN)OC ZINC000884384016 584377929 /nfs/dbraw/zinc/37/79/29/584377929.db2.gz BFCBCQDNFMTXOF-LBPRGKRZSA-N 1 3 251.330 -0.004 20 0 CBADHO O=C(c1ccnc(N2CCNCC2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457600 584382698 /nfs/dbraw/zinc/38/26/98/584382698.db2.gz HIJGDKWXMOQVOU-STQMWFEESA-N 1 3 287.367 -0.323 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000884529645 584386717 /nfs/dbraw/zinc/38/67/17/584386717.db2.gz SLIIEEWCPIDNTJ-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884555313 584387865 /nfs/dbraw/zinc/38/78/65/584387865.db2.gz ONGABHACFMFRNJ-CYZMBNFOSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C1=CCN(C)CC1 ZINC000884623726 584391437 /nfs/dbraw/zinc/39/14/37/584391437.db2.gz MPSYAHJJNMSTPV-GVXVVHGQSA-N 1 3 294.399 -0.299 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884626889 584391606 /nfs/dbraw/zinc/39/16/06/584391606.db2.gz YNKLDJFLNVMEBF-FRRDWIJNSA-N 1 3 294.399 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/nfs/dbraw/zinc/39/92/39/584399239.db2.gz PFJVQKYSFISWNM-OUAUKWLOSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884704688 584399241 /nfs/dbraw/zinc/39/92/41/584399241.db2.gz PFJVQKYSFISWNM-OUAUKWLOSA-N 1 3 268.361 -0.998 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@@H]21 ZINC000884706675 584399579 /nfs/dbraw/zinc/39/95/79/584399579.db2.gz KQMHIJNHBAGJEC-AGIUHOORSA-N 1 3 294.399 -0.608 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@@H]21 ZINC000884706675 584399580 /nfs/dbraw/zinc/39/95/80/584399580.db2.gz KQMHIJNHBAGJEC-AGIUHOORSA-N 1 3 294.399 -0.608 20 0 CBADHO CCN(C(=O)C(=O)N(C)CCN(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000887068025 584461239 /nfs/dbraw/zinc/46/12/39/584461239.db2.gz DMDBOBMDGHLDSG-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@@H]21 ZINC000887089773 584463246 /nfs/dbraw/zinc/46/32/46/584463246.db2.gz STBBUPSZFJWYFR-XQQFMLRXSA-N 1 3 294.399 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/nfs/dbraw/zinc/59/92/13/584599213.db2.gz HRSKISZKNNVQJK-NEPJUHHUSA-N 1 3 284.404 -0.117 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892055621 584602334 /nfs/dbraw/zinc/60/23/34/584602334.db2.gz KQFAUTFYXLZDQO-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@H]([NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892097846 584604488 /nfs/dbraw/zinc/60/44/88/584604488.db2.gz SHCLFZWVIUNEOS-UWVGGRQHSA-N 1 3 258.366 -0.522 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892183113 584608052 /nfs/dbraw/zinc/60/80/52/584608052.db2.gz BURGXJUGFSHCDP-SRVKXCTJSA-N 1 3 268.361 -0.489 20 0 CBADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@H]1CNCCO1 ZINC000892182057 584608057 /nfs/dbraw/zinc/60/80/57/584608057.db2.gz WUHBDHFUMGCIGY-QWKFWESOSA-N 1 3 268.361 -0.360 20 0 CBADHO [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000892187384 584608336 /nfs/dbraw/zinc/60/83/36/584608336.db2.gz AODKUFPFNMYAJG-WDEREUQCSA-N 1 3 256.350 -0.502 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892188984 584608819 /nfs/dbraw/zinc/60/88/19/584608819.db2.gz KYEIBQKBERPIFN-ZJUUUORDSA-N 1 3 292.330 -0.481 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000892551837 584618354 /nfs/dbraw/zinc/61/83/54/584618354.db2.gz NIEAFCSPDRGHQT-XQQFMLRXSA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000892551912 584618432 /nfs/dbraw/zinc/61/84/32/584618432.db2.gz PPYAKCJKUXUMEN-FRRDWIJNSA-N 1 3 284.404 -0.130 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560916 584618987 /nfs/dbraw/zinc/61/89/87/584618987.db2.gz WCIBOQGQUXHAQO-UMNHJUIQSA-N 1 3 258.366 -0.665 20 0 CBADHO CN1CCC(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000897053033 584707737 /nfs/dbraw/zinc/70/77/37/584707737.db2.gz QGTOCWIQRXOTLR-LBPRGKRZSA-N 1 3 275.418 -0.061 20 0 CBADHO CN1CCC(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000897053033 584707738 /nfs/dbraw/zinc/70/77/38/584707738.db2.gz QGTOCWIQRXOTLR-LBPRGKRZSA-N 1 3 275.418 -0.061 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@@H]2C1 ZINC000898166384 584732446 /nfs/dbraw/zinc/73/24/46/584732446.db2.gz SCCPKPXQSRTYGQ-QLFBSQMISA-N 1 3 292.427 -0.214 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@@H]2C1 ZINC000898166384 584732447 /nfs/dbraw/zinc/73/24/47/584732447.db2.gz SCCPKPXQSRTYGQ-QLFBSQMISA-N 1 3 292.427 -0.214 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@H]1CCCC[NH2+]C1 ZINC000899630088 584761762 /nfs/dbraw/zinc/76/17/62/584761762.db2.gz OTOAMEKLVDTAHY-ZJUUUORDSA-N 1 3 275.374 -0.217 20 0 CBADHO CN(C)CCn1nccc1C(=O)NCC[NH+](C)C ZINC000899920638 584784927 /nfs/dbraw/zinc/78/49/27/584784927.db2.gz RFJDOYYZFMIGGK-UHFFFAOYSA-N 1 3 253.350 -0.264 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000900306263 584799106 /nfs/dbraw/zinc/79/91/06/584799106.db2.gz QDQNDITXSORPFT-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000900306263 584799108 /nfs/dbraw/zinc/79/91/08/584799108.db2.gz QDQNDITXSORPFT-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000900306261 584799125 /nfs/dbraw/zinc/79/91/25/584799125.db2.gz QDQNDITXSORPFT-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000900306261 584799127 /nfs/dbraw/zinc/79/91/27/584799127.db2.gz QDQNDITXSORPFT-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@@](O)(CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000900306267 584799400 /nfs/dbraw/zinc/79/94/00/584799400.db2.gz QDQNDITXSORPFT-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@@](O)(CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000900306267 584799402 /nfs/dbraw/zinc/79/94/02/584799402.db2.gz QDQNDITXSORPFT-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C)CCN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900926356 584833252 /nfs/dbraw/zinc/83/32/52/584833252.db2.gz GMLQOLDFPLLGFV-ZDUSSCGKSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(C)CCN(C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900926356 584833254 /nfs/dbraw/zinc/83/32/54/584833254.db2.gz GMLQOLDFPLLGFV-ZDUSSCGKSA-N 1 3 257.378 -0.147 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903452318 584890644 /nfs/dbraw/zinc/89/06/44/584890644.db2.gz LARGCMBSVKRYMD-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903494737 584891811 /nfs/dbraw/zinc/89/18/11/584891811.db2.gz MJEVPZXVFQTYKA-TZMCWYRMSA-N 1 3 296.415 -0.406 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000903529284 584892574 /nfs/dbraw/zinc/89/25/74/584892574.db2.gz UJKLJKNFZFRIFX-VXGBXAGGSA-N 1 3 275.418 0.000 20 0 CBADHO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)N1CCNCC1 ZINC000903531442 584892734 /nfs/dbraw/zinc/89/27/34/584892734.db2.gz MBVXDXSFRDWRAX-RYUDHWBXSA-N 1 3 288.417 -0.660 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)[C@@H]1CCCNC1 ZINC000903550437 584892905 /nfs/dbraw/zinc/89/29/05/584892905.db2.gz GAUYYABTMPTUTJ-NXEZZACHSA-N 1 3 261.391 -0.344 20 0 CBADHO CC1(C)C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1N ZINC000903552531 584893005 /nfs/dbraw/zinc/89/30/05/584893005.db2.gz HDBVRWPHDUVFIV-LLVKDONJSA-N 1 3 255.362 -0.096 20 0 CBADHO CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1N ZINC000903552531 584893006 /nfs/dbraw/zinc/89/30/06/584893006.db2.gz HDBVRWPHDUVFIV-LLVKDONJSA-N 1 3 255.362 -0.096 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903735128 584896477 /nfs/dbraw/zinc/89/64/77/584896477.db2.gz IBNJAIACZUDCMR-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO CN(C)C(=O)[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756450 584897691 /nfs/dbraw/zinc/89/76/91/584897691.db2.gz RUGYCPYMYBTXDG-VNHYZAJKSA-N 1 3 296.415 -0.883 20 0 CBADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC(O)(C[NH3+])CC1 ZINC000903761493 584897836 /nfs/dbraw/zinc/89/78/36/584897836.db2.gz UWNFGXSFHGBESH-WDEREUQCSA-N 1 3 256.346 -0.029 20 0 CBADHO CC(=O)NCCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764710 584897960 /nfs/dbraw/zinc/89/79/60/584897960.db2.gz VGVZYFUMRZTRPG-STQMWFEESA-N 1 3 255.362 -0.177 20 0 CBADHO CC(=O)N[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903768652 584897992 /nfs/dbraw/zinc/89/79/92/584897992.db2.gz OHZDIXBXQWIGEC-RDBSUJKOSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903768045 584898121 /nfs/dbraw/zinc/89/81/21/584898121.db2.gz PWBUHZQDMXIZJI-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO CNC(=O)[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903903964 584904375 /nfs/dbraw/zinc/90/43/75/584904375.db2.gz YTRIQKXCJICPFE-WVMKXHBISA-N 1 3 267.373 -0.036 20 0 CBADHO NS(=O)(=O)[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908919 584904465 /nfs/dbraw/zinc/90/44/65/584904465.db2.gz PYSPBJHPYYXBIP-FGNRJIRKSA-N 1 3 273.402 -0.120 20 0 CBADHO F[C@@H]1CN[C@H](CNCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903918829 584904706 /nfs/dbraw/zinc/90/47/06/584904706.db2.gz JBQVYGFLSQHMOU-SDDRHHMPSA-N 1 3 282.367 -0.008 20 0 CBADHO CC(C)[C@@H](CN)C[NH2+]CC[C@H]1CNCCS1(=O)=O 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ZINC000930806008 659340505 /nfs/dbraw/zinc/34/05/05/659340505.db2.gz LWCVKSDBPGBDTG-CYBMUJFWSA-N 1 3 251.330 -0.053 20 0 CBADHO C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)N1CCCCC1 ZINC000089699863 656056056 /nfs/dbraw/zinc/05/60/56/656056056.db2.gz PZMACLIEWVTDFG-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091667912 656059211 /nfs/dbraw/zinc/05/92/11/656059211.db2.gz BNXRJKWPXBCNNV-IJLUTSLNSA-N 1 3 255.362 -0.051 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392837 656108378 /nfs/dbraw/zinc/10/83/78/656108378.db2.gz ULQBURJLSDKKHO-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392837 656108382 /nfs/dbraw/zinc/10/83/82/656108382.db2.gz ULQBURJLSDKKHO-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CC[NH3+])C1 ZINC000229256332 656110824 /nfs/dbraw/zinc/11/08/24/656110824.db2.gz QWCGAEVYDLILAN-VHSXEESVSA-N 1 3 256.350 -0.109 20 0 CBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)CC[C@H]1C[NH3+] ZINC000251768661 656122602 /nfs/dbraw/zinc/12/26/02/656122602.db2.gz MFZNCADMCQOQMV-NEPJUHHUSA-N 1 3 255.362 -0.238 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000252600329 656122888 /nfs/dbraw/zinc/12/28/88/656122888.db2.gz LMIDITYHLLQYSN-RNJOBUHISA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000252539987 656123005 /nfs/dbraw/zinc/12/30/05/656123005.db2.gz CBQORJXYPGISQS-SCRDCRAPSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000261921490 656127354 /nfs/dbraw/zinc/12/73/54/656127354.db2.gz XRLWWBDZOVFIAD-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@]2(C)C1 ZINC000702395729 656180649 /nfs/dbraw/zinc/18/06/49/656180649.db2.gz WHODFJTVAOTJQU-KOLCDFICSA-N 1 3 259.375 -0.829 20 0 CBADHO C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@]2(C)C1 ZINC000702395729 656180651 /nfs/dbraw/zinc/18/06/51/656180651.db2.gz 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ZINC000702424655 656181562 /nfs/dbraw/zinc/18/15/62/656181562.db2.gz ZCTOAGALRHJOFH-SRVKXCTJSA-N 1 3 254.378 -0.382 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000703153687 656183155 /nfs/dbraw/zinc/18/31/55/656183155.db2.gz RCPYMTQHLFWJIF-KKOKHZNYSA-N 1 3 269.345 -0.918 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000707966060 656190796 /nfs/dbraw/zinc/19/07/96/656190796.db2.gz KRGSHRXXCBEITG-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CCC1C[NH2+]C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000709443197 656195692 /nfs/dbraw/zinc/19/56/92/656195692.db2.gz CDWPVGJZHNEUMB-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCC1C[NH2+]C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000709443193 656195756 /nfs/dbraw/zinc/19/57/56/656195756.db2.gz CDWPVGJZHNEUMB-QWHCGFSZSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)CC1(O)CCN(C[C@@H]2COCCO2)CC1 ZINC000710607298 656199055 /nfs/dbraw/zinc/19/90/55/656199055.db2.gz OBQIQCSJAVICPV-GFCCVEGCSA-N 1 3 258.362 -0.210 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711396130 656208329 /nfs/dbraw/zinc/20/83/29/656208329.db2.gz RXBODCQEJFINND-NSHDSACASA-N 1 3 257.378 -0.074 20 0 CBADHO [NH3+]CCCOC1CCN(CCn2cnnn2)CC1 ZINC000712614331 656210863 /nfs/dbraw/zinc/21/08/63/656210863.db2.gz IBAMYRCHRYJBHB-UHFFFAOYSA-N 1 3 254.338 -0.497 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715579879 656220174 /nfs/dbraw/zinc/22/01/74/656220174.db2.gz RPFXPEGQROWMEQ-UTUOFQBUSA-N 1 3 256.394 -0.136 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000715540945 656220347 /nfs/dbraw/zinc/22/03/47/656220347.db2.gz URWQDUIGUPAELQ-VHSXEESVSA-N 1 3 261.391 -0.250 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199515 656245833 /nfs/dbraw/zinc/24/58/33/656245833.db2.gz UNWJFTYNHVUAMB-LBPRGKRZSA-N 1 3 292.387 -0.681 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000897764837 656294928 /nfs/dbraw/zinc/29/49/28/656294928.db2.gz PXTKDCGEILYRSD-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000897764837 656294934 /nfs/dbraw/zinc/29/49/34/656294934.db2.gz PXTKDCGEILYRSD-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO Cc1nccn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900813478 656312356 /nfs/dbraw/zinc/31/23/56/656312356.db2.gz ZLLBAKPEMDAIKD-WCQYABFASA-N 1 3 279.388 -0.058 20 0 CBADHO Cc1nccn1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900813478 656312358 /nfs/dbraw/zinc/31/23/58/656312358.db2.gz ZLLBAKPEMDAIKD-WCQYABFASA-N 1 3 279.388 -0.058 20 0 CBADHO CCNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329720 656324951 /nfs/dbraw/zinc/32/49/51/656324951.db2.gz RTQKSAIDHXFACE-OUAUKWLOSA-N 1 3 261.391 -0.263 20 0 CBADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)C[C@H]21 ZINC000904378963 656326280 /nfs/dbraw/zinc/32/62/80/656326280.db2.gz NYOPJMBXMLTLKX-MJDLHHQISA-N 1 3 274.386 -0.533 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904972552 656331414 /nfs/dbraw/zinc/33/14/14/656331414.db2.gz LNIFAGJNQNZCQC-DOMZBBRYSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[NH+]1CCC(NC[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905028893 656334754 /nfs/dbraw/zinc/33/47/54/656334754.db2.gz WPNLZRJAUKGTFL-ZIAGYGMSSA-N 1 3 272.389 -0.037 20 0 CBADHO CC[NH+]1CCC(NC[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905028891 656335085 /nfs/dbraw/zinc/33/50/85/656335085.db2.gz WPNLZRJAUKGTFL-KGLIPLIRSA-N 1 3 272.389 -0.037 20 0 CBADHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)CC1(CO)CCCC1 ZINC000905345535 656351474 /nfs/dbraw/zinc/35/14/74/656351474.db2.gz NLSQVERHYSUXKD-STQMWFEESA-N 1 3 274.405 -0.198 20 0 CBADHO O[C@@H](CN[C@@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467167 656358649 /nfs/dbraw/zinc/35/86/49/656358649.db2.gz TUWSYOWGFVSUMC-XDQVBPFNSA-N 1 3 272.389 -0.303 20 0 CBADHO O[C@@H](C[NH2+]CCO[C@@H]1CCOC1)CN1CCCC1 ZINC000905606164 656363547 /nfs/dbraw/zinc/36/35/47/656363547.db2.gz DEJDHCFPASWDGT-QWHCGFSZSA-N 1 3 258.362 -0.162 20 0 CBADHO C[NH+]1CCC(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996249660 656405490 /nfs/dbraw/zinc/40/54/90/656405490.db2.gz QGADODCUWLAZIX-LBPRGKRZSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300191 656407694 /nfs/dbraw/zinc/40/76/94/656407694.db2.gz KDLDJBBHLFQFHG-NEPJUHHUSA-N 1 3 296.415 -0.360 20 0 CBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCO ZINC000996356244 656408774 /nfs/dbraw/zinc/40/87/74/656408774.db2.gz RAASZYMUXIAHNS-LLVKDONJSA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC000996663699 656449921 /nfs/dbraw/zinc/44/99/21/656449921.db2.gz JAOAZWWOPUDXPM-NSHDSACASA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)C1CC1 ZINC000996680723 656451153 /nfs/dbraw/zinc/45/11/53/656451153.db2.gz UOSNBNJKNCYEMO-ZDUSSCGKSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC000996692686 656452814 /nfs/dbraw/zinc/45/28/14/656452814.db2.gz ODOOAENGBLYTQO-ZDUSSCGKSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996993839 656463577 /nfs/dbraw/zinc/46/35/77/656463577.db2.gz GCCPNBNBESFBHF-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC000997008006 656463677 /nfs/dbraw/zinc/46/36/77/656463677.db2.gz SVSWAPVATGKIHB-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997007884 656463724 /nfs/dbraw/zinc/46/37/24/656463724.db2.gz RGIMMFSCFWZVLJ-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996996990 656463818 /nfs/dbraw/zinc/46/38/18/656463818.db2.gz BBYDBHVCHGSCNH-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997039311 656464470 /nfs/dbraw/zinc/46/44/70/656464470.db2.gz BSCQHPOKTTVBQD-GFCCVEGCSA-N 1 3 291.355 -0.579 20 0 CBADHO CN(C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907389309 656499646 /nfs/dbraw/zinc/49/96/46/656499646.db2.gz RSYDEHJAGKGNIF-AWEZNQCLSA-N 1 3 295.387 -0.759 20 0 CBADHO CN(C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907389309 656499651 /nfs/dbraw/zinc/49/96/51/656499651.db2.gz RSYDEHJAGKGNIF-AWEZNQCLSA-N 1 3 295.387 -0.759 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC000999208226 656617369 /nfs/dbraw/zinc/61/73/69/656617369.db2.gz MFGQHECDKVWOHI-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC000999208226 656617374 /nfs/dbraw/zinc/61/73/74/656617374.db2.gz MFGQHECDKVWOHI-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCO)C1 ZINC000999473552 656630536 /nfs/dbraw/zinc/63/05/36/656630536.db2.gz OTJZXDRLEKTXQQ-UHFFFAOYSA-N 1 3 252.318 -0.477 20 0 CBADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000196795 656700778 /nfs/dbraw/zinc/70/07/78/656700778.db2.gz GRUJKRSSJFVVLA-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003636856 656865559 /nfs/dbraw/zinc/86/55/59/656865559.db2.gz XNWWQBPDEZFVPP-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003636856 656865563 /nfs/dbraw/zinc/86/55/63/656865563.db2.gz XNWWQBPDEZFVPP-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001004146900 656881097 /nfs/dbraw/zinc/88/10/97/656881097.db2.gz BPXWEEHPRFABJE-LLVKDONJSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001004146900 656881099 /nfs/dbraw/zinc/88/10/99/656881099.db2.gz BPXWEEHPRFABJE-LLVKDONJSA-N 1 3 255.362 -0.489 20 0 CBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCO)CC1 ZINC001005183839 656894775 /nfs/dbraw/zinc/89/47/75/656894775.db2.gz KQILYGPQNLGQOY-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911163788 656967952 /nfs/dbraw/zinc/96/79/52/656967952.db2.gz YPYWASCEGKUHDH-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911212479 656986608 /nfs/dbraw/zinc/98/66/08/656986608.db2.gz ZPOBOMRKMYMDNK-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911338112 657022390 /nfs/dbraw/zinc/02/23/90/657022390.db2.gz XXFLAMIDRATPJY-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911338110 657023268 /nfs/dbraw/zinc/02/32/68/657023268.db2.gz XXFLAMIDRATPJY-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911369964 657028812 /nfs/dbraw/zinc/02/88/12/657028812.db2.gz JCZHCZNYLUZPGP-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000911370193 657029598 /nfs/dbraw/zinc/02/95/98/657029598.db2.gz RLXBHPNAGKFYQR-FVCCEPFGSA-N 1 3 294.399 -0.594 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911375374 657031000 /nfs/dbraw/zinc/03/10/00/657031000.db2.gz VOLQJFZNUTUKFW-FRRDWIJNSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000911502371 657057273 /nfs/dbraw/zinc/05/72/73/657057273.db2.gz GDTCDPKMCJOIBK-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506405 657060939 /nfs/dbraw/zinc/06/09/39/657060939.db2.gz MZACCKJGEVTSRM-NEPJUHHUSA-N 1 3 294.399 -0.321 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527633 657067218 /nfs/dbraw/zinc/06/72/18/657067218.db2.gz JAPMLHOFCCXDSC-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000911531474 657068668 /nfs/dbraw/zinc/06/86/68/657068668.db2.gz HIMRNVWBDCACEM-GFCCVEGCSA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911534074 657069990 /nfs/dbraw/zinc/06/99/90/657069990.db2.gz RQKGIRLSWWWUHA-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542166 657073883 /nfs/dbraw/zinc/07/38/83/657073883.db2.gz LRRJHPOSZUWBKZ-WUHRBBMRSA-N 1 3 294.399 -0.452 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000911547681 657074734 /nfs/dbraw/zinc/07/47/34/657074734.db2.gz YYICXWMYCFPBKY-GFCCVEGCSA-N 1 3 294.399 -0.339 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911562395 657078677 /nfs/dbraw/zinc/07/86/77/657078677.db2.gz AZTYAOOKZOOXHU-JOCQHMNTSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911563774 657078851 /nfs/dbraw/zinc/07/88/51/657078851.db2.gz RHIMVIHLNSKGLR-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563825 657080178 /nfs/dbraw/zinc/08/01/78/657080178.db2.gz STPGXKKVSUZDRY-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911633295 657090668 /nfs/dbraw/zinc/09/06/68/657090668.db2.gz GOARKKSTLZKYQS-VXGBXAGGSA-N 1 3 254.378 -0.652 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000911646794 657094457 /nfs/dbraw/zinc/09/44/57/657094457.db2.gz AOSUJRZPMLAUFD-NSHDSACASA-N 1 3 254.378 -0.332 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911667758 657099896 /nfs/dbraw/zinc/09/98/96/657099896.db2.gz SBBCRPVBMUKDNB-IXPVHAAZSA-N 1 3 293.367 -0.076 20 0 CBADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000911777430 657126783 /nfs/dbraw/zinc/12/67/83/657126783.db2.gz KSOQDCFFYGCYLD-LBPRGKRZSA-N 1 3 254.378 -0.652 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCNCC1(C)C ZINC000911848225 657147120 /nfs/dbraw/zinc/14/71/20/657147120.db2.gz WGMUOHGSTGEANN-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(C(=O)[C@H]1CNCCN1C)C1CCC([NH3+])CC1 ZINC000911869591 657150295 /nfs/dbraw/zinc/15/02/95/657150295.db2.gz XURVIAIOQSXBAP-HTAVTVPLSA-N 1 3 254.378 -0.382 20 0 CBADHO CN1CCC(N(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000911939268 657169917 /nfs/dbraw/zinc/16/99/17/657169917.db2.gz TVHSRDWKFYJRKU-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC(N(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000911939268 657169927 /nfs/dbraw/zinc/16/99/27/657169927.db2.gz TVHSRDWKFYJRKU-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014457101 657361816 /nfs/dbraw/zinc/36/18/16/657361816.db2.gz OZCXYOGUPZHUTE-KGLIPLIRSA-N 1 3 281.400 -0.099 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001018962940 657856273 /nfs/dbraw/zinc/85/62/73/657856273.db2.gz QXWZDSXWUSRETF-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001019033342 657859162 /nfs/dbraw/zinc/85/91/62/657859162.db2.gz JSSDKTBMGZOCKM-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001019030718 657859379 /nfs/dbraw/zinc/85/93/79/657859379.db2.gz QHCGYMQEPRQSBO-LBPRGKRZSA-N 1 3 294.399 -0.462 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001019231293 657874334 /nfs/dbraw/zinc/87/43/34/657874334.db2.gz WOIAGJDDODPAON-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001019241628 657875750 /nfs/dbraw/zinc/87/57/50/657875750.db2.gz PJVIQIXOJGCJJT-RWMBFGLXSA-N 1 3 294.399 -0.498 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019261055 657877150 /nfs/dbraw/zinc/87/71/50/657877150.db2.gz GRWWAVIIZKDJGD-AVGNSLFASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)C(N)=O ZINC001019258675 657877260 /nfs/dbraw/zinc/87/72/60/657877260.db2.gz MDACAZGGPPBLMV-SRVKXCTJSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001019560405 657912629 /nfs/dbraw/zinc/91/26/29/657912629.db2.gz DTFDLKFCIZMHMN-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001019660824 657926542 /nfs/dbraw/zinc/92/65/42/657926542.db2.gz NQGTVGZWEHCYMD-NWDGAFQWSA-N 1 3 294.399 -0.463 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019775867 657936441 /nfs/dbraw/zinc/93/64/41/657936441.db2.gz KGUJPRSLKANTEQ-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001019774678 657937900 /nfs/dbraw/zinc/93/79/00/657937900.db2.gz DAADZVHLRSAYIC-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020178871 658021203 /nfs/dbraw/zinc/02/12/03/658021203.db2.gz HQMVDZHXBSNZFF-CYDGBPFRSA-N 1 3 283.372 -0.921 20 0 CBADHO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001020178872 658021598 /nfs/dbraw/zinc/02/15/98/658021598.db2.gz HQMVDZHXBSNZFF-FDYHWXHSSA-N 1 3 283.372 -0.921 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020589140 658075637 /nfs/dbraw/zinc/07/56/37/658075637.db2.gz XTMUOYFIAFKVPT-LPWJVIDDSA-N 1 3 294.399 -0.547 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020589828 658077371 /nfs/dbraw/zinc/07/73/71/658077371.db2.gz DJMIOVXUAHXKJE-IJLUTSLNSA-N 1 3 255.362 -0.443 20 0 CBADHO CN1C[C@@H](O)C[C@H]1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000922982669 658116793 /nfs/dbraw/zinc/11/67/93/658116793.db2.gz DGHQVUYGUDCHEM-QWRGUYRKSA-N 1 3 270.377 -0.555 20 0 CBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000922982665 658118476 /nfs/dbraw/zinc/11/84/76/658118476.db2.gz DGHQVUYGUDCHEM-GHMZBOCLSA-N 1 3 270.377 -0.555 20 0 CBADHO C[NH+](C)C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000922985712 658119483 /nfs/dbraw/zinc/11/94/83/658119483.db2.gz HOZNIKDEUDIONC-NWDGAFQWSA-N 1 3 282.388 -0.459 20 0 CBADHO NC[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923291613 658195942 /nfs/dbraw/zinc/19/59/42/658195942.db2.gz DRVRNLICTDMSKX-RWMBFGLXSA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923291613 658195944 /nfs/dbraw/zinc/19/59/44/658195944.db2.gz DRVRNLICTDMSKX-RWMBFGLXSA-N 1 3 258.362 -0.034 20 0 CBADHO Cc1cccc(OC[C@H](O)CNC(CN)C[NH3+])c1 ZINC000923356615 658229208 /nfs/dbraw/zinc/22/92/08/658229208.db2.gz NWWGSNLSOXGKQP-GFCCVEGCSA-N 1 3 253.346 -0.390 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373300 658242612 /nfs/dbraw/zinc/24/26/12/658242612.db2.gz MGDNZGXQUIMZIB-LLVKDONJSA-N 1 3 270.377 -0.432 20 0 CBADHO CN(C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1COCCO1 ZINC000923391754 658253597 /nfs/dbraw/zinc/25/35/97/658253597.db2.gz POYITMNTFPHIJB-VXGBXAGGSA-N 1 3 256.346 -0.288 20 0 CBADHO Cn1nnnc1C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923419716 658269662 /nfs/dbraw/zinc/26/96/62/658269662.db2.gz FWKSHSNTZPMSDQ-GFCCVEGCSA-N 1 3 292.387 -0.232 20 0 CBADHO Cn1nnnc1C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923419718 658269814 /nfs/dbraw/zinc/26/98/14/658269814.db2.gz FWKSHSNTZPMSDQ-LBPRGKRZSA-N 1 3 292.387 -0.232 20 0 CBADHO O=S1(=O)NC[C@H]2CN(CC[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550415 658318689 /nfs/dbraw/zinc/31/86/89/658318689.db2.gz XMLUHYUBMBRGAZ-RYUDHWBXSA-N 1 3 288.417 -0.790 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923575519 658335995 /nfs/dbraw/zinc/33/59/95/658335995.db2.gz DNIXNFCBPXAJBG-PWSUYJOCSA-N 1 3 273.402 -0.248 20 0 CBADHO C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@@H]1C[NH3+] ZINC000923573795 658336575 /nfs/dbraw/zinc/33/65/75/658336575.db2.gz RQTXLLUIDGXRJS-GHMZBOCLSA-N 1 3 276.406 -0.804 20 0 CBADHO CN(CC(C)(C)C[NH3+])S(=O)(=O)N1CCNCC1 ZINC000923575017 658336707 /nfs/dbraw/zinc/33/67/07/658336707.db2.gz BCBSBBFHPIWOCA-UHFFFAOYSA-N 1 3 264.395 -0.947 20 0 CBADHO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610712 658348557 /nfs/dbraw/zinc/34/85/57/658348557.db2.gz WAXRGBJHAAGKMS-RYUDHWBXSA-N 1 3 273.402 -0.153 20 0 CBADHO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610712 658348568 /nfs/dbraw/zinc/34/85/68/658348568.db2.gz WAXRGBJHAAGKMS-RYUDHWBXSA-N 1 3 273.402 -0.153 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)C2CNC2)C1 ZINC000923630365 658363277 /nfs/dbraw/zinc/36/32/77/658363277.db2.gz XCWIYMLFLSZXKK-PWSUYJOCSA-N 1 3 273.402 -0.296 20 0 CBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)C2CNC2)C1 ZINC000923630365 658363291 /nfs/dbraw/zinc/36/32/91/658363291.db2.gz XCWIYMLFLSZXKK-PWSUYJOCSA-N 1 3 273.402 -0.296 20 0 CBADHO C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923647580 658372385 /nfs/dbraw/zinc/37/23/85/658372385.db2.gz NDDBNTQEPNFLOG-WDEREUQCSA-N 1 3 276.406 -0.947 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923646349 658372503 /nfs/dbraw/zinc/37/25/03/658372503.db2.gz QNYPGFWBSUYZCZ-QWRGUYRKSA-N 1 3 273.402 -0.391 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923645956 658373827 /nfs/dbraw/zinc/37/38/27/658373827.db2.gz QEERPDUEZITKJT-NEPJUHHUSA-N 1 3 287.429 0.000 20 0 CBADHO CC(C)[C@H]([NH3+])CCNS(=O)(=O)N1CCNCC1 ZINC000923659267 658383284 /nfs/dbraw/zinc/38/32/84/658383284.db2.gz TYTSXWNJHBMDFS-SNVBAGLBSA-N 1 3 264.395 -0.901 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923668479 658389641 /nfs/dbraw/zinc/38/96/41/658389641.db2.gz VZASEHNNTMAVNJ-LLVKDONJSA-N 1 3 290.433 -0.496 20 0 CBADHO CN(C)CCCS(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719035 658412571 /nfs/dbraw/zinc/41/25/71/658412571.db2.gz ICSAEJPBINEXCC-NWDGAFQWSA-N 1 3 275.418 -0.191 20 0 CBADHO O=C(NC[C@H]1CN(CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214928 658591178 /nfs/dbraw/zinc/59/11/78/658591178.db2.gz OSSVGURRCJMOGM-QWHCGFSZSA-N 1 3 297.399 -0.984 20 0 CBADHO C[C@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582187 658616745 /nfs/dbraw/zinc/61/67/45/658616745.db2.gz JBUVLFYQRNHPEN-KOLCDFICSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582187 658616766 /nfs/dbraw/zinc/61/67/66/658616766.db2.gz JBUVLFYQRNHPEN-KOLCDFICSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341779 658830909 /nfs/dbraw/zinc/83/09/09/658830909.db2.gz JPFLLQRZCGKEOZ-XQHKEYJVSA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341779 658830910 /nfs/dbraw/zinc/83/09/10/658830910.db2.gz JPFLLQRZCGKEOZ-XQHKEYJVSA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)N1CCO ZINC000925428655 658849326 /nfs/dbraw/zinc/84/93/26/658849326.db2.gz DDXJNEGLJLAPOR-XQQFMLRXSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H](C)N1CCO ZINC000925428655 658849329 /nfs/dbraw/zinc/84/93/29/658849329.db2.gz DDXJNEGLJLAPOR-XQQFMLRXSA-N 1 3 284.404 -0.213 20 0 CBADHO CCN1CCN([C@@H](C)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925546783 658858374 /nfs/dbraw/zinc/85/83/74/658858374.db2.gz KPTLNDBEKLUQCN-KBPBESRZSA-N 1 3 270.421 -0.410 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925719023 658867979 /nfs/dbraw/zinc/86/79/79/658867979.db2.gz PVHHQNBGAUVFRM-GHMZBOCLSA-N 1 3 283.372 -0.085 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000926335105 658893261 /nfs/dbraw/zinc/89/32/61/658893261.db2.gz PVSWWGCJFRTEQX-QWHCGFSZSA-N 1 3 294.399 -0.510 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926359587 658896944 /nfs/dbraw/zinc/89/69/44/658896944.db2.gz JCWPRHIYKJYDMW-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCN1CCNC1=O ZINC000926872189 658916947 /nfs/dbraw/zinc/91/69/47/658916947.db2.gz AMNATSCLIXKUDV-FOSCPWQOSA-N 1 3 252.362 -0.059 20 0 CBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCNC1=O ZINC000926872189 658916938 /nfs/dbraw/zinc/91/69/38/658916938.db2.gz AMNATSCLIXKUDV-FOSCPWQOSA-N 1 3 252.362 -0.059 20 0 CBADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCN1CCNC1=O ZINC000926872189 658916942 /nfs/dbraw/zinc/91/69/42/658916942.db2.gz AMNATSCLIXKUDV-FOSCPWQOSA-N 1 3 252.362 -0.059 20 0 CBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(CO)COCCN1C ZINC000926890793 658918122 /nfs/dbraw/zinc/91/81/22/658918122.db2.gz 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C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333114 659379138 /nfs/dbraw/zinc/37/91/38/659379138.db2.gz XRQRAZPYGFDRCC-AAEUAGOBSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(N)=O)CC2)C1 ZINC000985653187 659394986 /nfs/dbraw/zinc/39/49/86/659394986.db2.gz JCUBWGCYRMQFRR-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)CC(N)=O)CC2)C1 ZINC000985653187 659394992 /nfs/dbraw/zinc/39/49/92/659394992.db2.gz JCUBWGCYRMQFRR-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985647006 659395772 /nfs/dbraw/zinc/39/57/72/659395772.db2.gz NBMWEFVIBFMRDW-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985647006 659395782 /nfs/dbraw/zinc/39/57/82/659395782.db2.gz NBMWEFVIBFMRDW-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO CN1C[C@]2(C)C[N@H+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311102 659431661 /nfs/dbraw/zinc/43/16/61/659431661.db2.gz 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801369334 /nfs/dbraw/zinc/36/93/34/801369334.db2.gz UCYQJTSHUDPRFW-DZGCQCFKSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142114 801369339 /nfs/dbraw/zinc/36/93/39/801369339.db2.gz UCYQJTSHUDPRFW-DZGCQCFKSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041142115 801369373 /nfs/dbraw/zinc/36/93/73/801369373.db2.gz UCYQJTSHUDPRFW-HIFRSBDPSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142115 801369381 /nfs/dbraw/zinc/36/93/81/801369381.db2.gz UCYQJTSHUDPRFW-HIFRSBDPSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001044629687 801660209 /nfs/dbraw/zinc/66/02/09/801660209.db2.gz ONYPWUDOSUYZFF-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001044629685 801661195 /nfs/dbraw/zinc/66/11/95/801661195.db2.gz ONYPWUDOSUYZFF-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045310903 801692691 /nfs/dbraw/zinc/69/26/91/801692691.db2.gz WBETXARWMODFDP-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(CCO)C2)CC1 ZINC001046589001 801778030 /nfs/dbraw/zinc/77/80/30/801778030.db2.gz WTIQGCXQOHBNGY-AWEZNQCLSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047627679 801913220 /nfs/dbraw/zinc/91/32/20/801913220.db2.gz TZLLPRRCZPHQEN-AGIUHOORSA-N 1 3 287.379 -0.199 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047627679 801913227 /nfs/dbraw/zinc/91/32/27/801913227.db2.gz TZLLPRRCZPHQEN-AGIUHOORSA-N 1 3 287.379 -0.199 20 0 CBADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047629155 801914121 /nfs/dbraw/zinc/91/41/21/801914121.db2.gz RZFSNMCABFFTGS-AGIUHOORSA-N 1 3 269.389 -0.150 20 0 CBADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047629155 801914125 /nfs/dbraw/zinc/91/41/25/801914125.db2.gz RZFSNMCABFFTGS-AGIUHOORSA-N 1 3 269.389 -0.150 20 0 CBADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)N(C)C ZINC001048875846 801976320 /nfs/dbraw/zinc/97/63/20/801976320.db2.gz QEZLFHUSXUGWRV-MJBXVCDLSA-N 1 3 283.416 -0.045 20 0 CBADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N(C)C ZINC001048875846 801976329 /nfs/dbraw/zinc/97/63/29/801976329.db2.gz QEZLFHUSXUGWRV-MJBXVCDLSA-N 1 3 283.416 -0.045 20 0 CBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)N(C)C ZINC001049039447 801992636 /nfs/dbraw/zinc/99/26/36/801992636.db2.gz QEZLFHUSXUGWRV-HZSPNIEDSA-N 1 3 283.416 -0.045 20 0 CBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N(C)C ZINC001049039447 801992639 /nfs/dbraw/zinc/99/26/39/801992639.db2.gz QEZLFHUSXUGWRV-HZSPNIEDSA-N 1 3 283.416 -0.045 20 0 CBADHO CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001051848329 802170059 /nfs/dbraw/zinc/17/00/59/802170059.db2.gz PFJRHILQKMCDJP-LLVKDONJSA-N 1 3 252.318 -0.211 20 0 CBADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(N)=O ZINC001054853316 802375791 /nfs/dbraw/zinc/37/57/91/802375791.db2.gz FZOLIVDNKOLGLW-VXGBXAGGSA-N 1 3 294.399 -0.463 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121928591 813091304 /nfs/dbraw/zinc/09/13/04/813091304.db2.gz RCNXKVRMYWIMAZ-ZIAGYGMSSA-N 1 3 297.447 -0.968 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001122103587 813117739 /nfs/dbraw/zinc/11/77/39/813117739.db2.gz OUXMSLVLOGKUKT-RYUDHWBXSA-N 1 3 268.405 -0.216 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001122103588 813117896 /nfs/dbraw/zinc/11/78/96/813117896.db2.gz OUXMSLVLOGKUKT-VXGBXAGGSA-N 1 3 268.405 -0.216 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122131644 813121403 /nfs/dbraw/zinc/12/14/03/813121403.db2.gz BDHCFOIBLKVNRZ-TUAOUCFPSA-N 1 3 254.378 -0.654 20 0 CBADHO COCC[C@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001122400342 813159440 /nfs/dbraw/zinc/15/94/40/813159440.db2.gz AOOZQBNHZUSJNZ-DTWKUNHWSA-N 1 3 265.304 -0.194 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001129328233 813837374 /nfs/dbraw/zinc/83/73/74/813837374.db2.gz NKMZSZAVRIFZBF-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001129328233 813837386 /nfs/dbraw/zinc/83/73/86/813837386.db2.gz NKMZSZAVRIFZBF-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001129356780 813837407 /nfs/dbraw/zinc/83/74/07/813837407.db2.gz HXHBCMFGMAGSNR-VIFPVBQESA-N 1 3 256.350 -0.950 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133294363 814237819 /nfs/dbraw/zinc/23/78/19/814237819.db2.gz FQUYGPWVQAFEAW-UHFFFAOYSA-N 1 3 298.309 -0.678 20 0 CBADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291269 814237870 /nfs/dbraw/zinc/23/78/70/814237870.db2.gz NODZWHGIHIWGNN-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133290793 814237950 /nfs/dbraw/zinc/23/79/50/814237950.db2.gz CIHSMVUMLZKISF-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCC[C@H](NCCNC(=O)CC[NH+](C)C)C(N)=O ZINC001133291514 814238085 /nfs/dbraw/zinc/23/80/85/814238085.db2.gz SSUIVUQBHBHCGE-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO Cn1cc(CNCCNC(=O)CC[NH+](C)C)cn1 ZINC001133294688 814238469 /nfs/dbraw/zinc/23/84/69/814238469.db2.gz PBKKGUFSNDRUGN-UHFFFAOYSA-N 1 3 253.350 -0.422 20 0 CBADHO CC[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148365204 814941393 /nfs/dbraw/zinc/94/13/93/814941393.db2.gz LBAQVBIWTNGFAA-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001148578959 814951571 /nfs/dbraw/zinc/95/15/71/814951571.db2.gz XWWQXGWHZUANLL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001148578959 814951575 /nfs/dbraw/zinc/95/15/75/814951575.db2.gz XWWQXGWHZUANLL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001148642889 814954332 /nfs/dbraw/zinc/95/43/32/814954332.db2.gz PLLYVPZACKGVNZ-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001148642890 814954650 /nfs/dbraw/zinc/95/46/50/814954650.db2.gz PLLYVPZACKGVNZ-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001148643427 814954684 /nfs/dbraw/zinc/95/46/84/814954684.db2.gz ZZNBZEHQEVNUGM-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001148643186 814954858 /nfs/dbraw/zinc/95/48/58/814954858.db2.gz UDIFWZBBTLITCB-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001148638636 814955020 /nfs/dbraw/zinc/95/50/20/814955020.db2.gz KXDROSKEIITHEM-UHFFFAOYSA-N 1 3 296.419 -0.057 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001148655006 814955906 /nfs/dbraw/zinc/95/59/06/814955906.db2.gz FFXNAWQKFMSUOH-CYBMUJFWSA-N 1 3 297.403 -0.708 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001148655625 814956363 /nfs/dbraw/zinc/95/63/63/814956363.db2.gz QCRJHVSAVLLVPP-UHFFFAOYSA-N 1 3 298.387 -0.817 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001321967964 803844905 /nfs/dbraw/zinc/84/49/05/803844905.db2.gz CRRMTRLDVNJSSW-JTQLQIEISA-N 1 3 258.366 -0.879 20 0 CBADHO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCCN1C ZINC001322442859 803896740 /nfs/dbraw/zinc/89/67/40/803896740.db2.gz PFBPDSSJKJKIAV-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322684842 803927511 /nfs/dbraw/zinc/92/75/11/803927511.db2.gz CPWHOLGESAYNNF-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001322698762 803929052 /nfs/dbraw/zinc/92/90/52/803929052.db2.gz BPTCEWPKHOGODU-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC001325386475 804282692 /nfs/dbraw/zinc/28/26/92/804282692.db2.gz QEVVZLUXULDMJZ-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC001325429076 804286912 /nfs/dbraw/zinc/28/69/12/804286912.db2.gz VUNMTLMIGJDIJI-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150547553 815035802 /nfs/dbraw/zinc/03/58/02/815035802.db2.gz VUNVNPTYXVZWFY-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150547553 815035810 /nfs/dbraw/zinc/03/58/10/815035810.db2.gz VUNVNPTYXVZWFY-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001150598350 815037103 /nfs/dbraw/zinc/03/71/03/815037103.db2.gz ZTHDVMBIZMLJOB-UONOGXRCSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001150598350 815037109 /nfs/dbraw/zinc/03/71/09/815037109.db2.gz ZTHDVMBIZMLJOB-UONOGXRCSA-N 1 3 299.415 -0.472 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001151049187 815051559 /nfs/dbraw/zinc/05/15/59/815051559.db2.gz JLKSJXBIGFMFKW-LBPRGKRZSA-N 1 3 265.361 -0.422 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001151049187 815051564 /nfs/dbraw/zinc/05/15/64/815051564.db2.gz JLKSJXBIGFMFKW-LBPRGKRZSA-N 1 3 265.361 -0.422 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001151043592 815051748 /nfs/dbraw/zinc/05/17/48/815051748.db2.gz GOXZMIQGDWNEGX-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001151043592 815051755 /nfs/dbraw/zinc/05/17/55/815051755.db2.gz GOXZMIQGDWNEGX-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066154 815056794 /nfs/dbraw/zinc/05/67/94/815056794.db2.gz RBQQVDHDBHKDIP-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066154 815056799 /nfs/dbraw/zinc/05/67/99/815056799.db2.gz RBQQVDHDBHKDIP-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070284469 805179344 /nfs/dbraw/zinc/17/93/44/805179344.db2.gz FDMOJIPQJOMVBO-NEPJUHHUSA-N 1 3 289.343 -0.395 20 0 CBADHO CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151049687 815055767 /nfs/dbraw/zinc/05/57/67/815055767.db2.gz WBYDZZNODGABAN-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151049687 815055773 /nfs/dbraw/zinc/05/57/73/815055773.db2.gz WBYDZZNODGABAN-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072940 815057535 /nfs/dbraw/zinc/05/75/35/815057535.db2.gz ATSXJPXGJKEMTE-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072940 815057542 /nfs/dbraw/zinc/05/75/42/815057542.db2.gz ATSXJPXGJKEMTE-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066978 815057905 /nfs/dbraw/zinc/05/79/05/815057905.db2.gz ZQEPMEGNYCHMHR-LBPRGKRZSA-N 1 3 284.404 -0.584 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066978 815057911 /nfs/dbraw/zinc/05/79/11/815057911.db2.gz ZQEPMEGNYCHMHR-LBPRGKRZSA-N 1 3 284.404 -0.584 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073459 815059131 /nfs/dbraw/zinc/05/91/31/815059131.db2.gz LPLDORUUFRXPHB-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073459 815059135 /nfs/dbraw/zinc/05/91/35/815059135.db2.gz LPLDORUUFRXPHB-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)CC[N@@H+]1C ZINC001073610805 805399532 /nfs/dbraw/zinc/39/95/32/805399532.db2.gz DOISDLHZHLZFEM-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)CC[N@H+]1C ZINC001073610805 805399541 /nfs/dbraw/zinc/39/95/41/805399541.db2.gz DOISDLHZHLZFEM-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001073755934 805412920 /nfs/dbraw/zinc/41/29/20/805412920.db2.gz NYQRBYBEBLXERE-AWEZNQCLSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001074562675 805457055 /nfs/dbraw/zinc/45/70/55/805457055.db2.gz DFAMWDWDTHICCU-DCAQKATOSA-N 1 3 268.361 -0.855 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCCN1C ZINC001074564891 805457137 /nfs/dbraw/zinc/45/71/37/805457137.db2.gz IMIPFGGFGPMAMR-SDDRHHMPSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564892 805457665 /nfs/dbraw/zinc/45/76/65/805457665.db2.gz IMIPFGGFGPMAMR-SRVKXCTJSA-N 1 3 255.362 -0.348 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001074663153 805464515 /nfs/dbraw/zinc/46/45/15/805464515.db2.gz KYBBNLKGIYRKAY-ZDEQEGDKSA-N 1 3 296.415 -0.219 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001074663153 805464519 /nfs/dbraw/zinc/46/45/19/805464519.db2.gz KYBBNLKGIYRKAY-ZDEQEGDKSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(N)=O ZINC001074792960 805472175 /nfs/dbraw/zinc/47/21/75/805472175.db2.gz OFRUFWHNZMPQON-FIQHERPVSA-N 1 3 282.388 -0.467 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001074852940 805474069 /nfs/dbraw/zinc/47/40/69/805474069.db2.gz DCDSHVDIIITJHQ-GVXVVHGQSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106885 805483290 /nfs/dbraw/zinc/48/32/90/805483290.db2.gz OHCOGRWGXSKHGG-AXFHLTTASA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106885 805483293 /nfs/dbraw/zinc/48/32/93/805483293.db2.gz OHCOGRWGXSKHGG-AXFHLTTASA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076241486 805562502 /nfs/dbraw/zinc/56/25/02/805562502.db2.gz QHJLMTKXFOKNEZ-MELADBBJSA-N 1 3 281.400 -0.004 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076241486 805562506 /nfs/dbraw/zinc/56/25/06/805562506.db2.gz QHJLMTKXFOKNEZ-MELADBBJSA-N 1 3 281.400 -0.004 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076244555 805563360 /nfs/dbraw/zinc/56/33/60/805563360.db2.gz SRGGUDSKJJHORC-MELADBBJSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076244555 805563364 /nfs/dbraw/zinc/56/33/64/805563364.db2.gz SRGGUDSKJJHORC-MELADBBJSA-N 1 3 281.400 -0.147 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC1CC1 ZINC001152223141 815111176 /nfs/dbraw/zinc/11/11/76/815111176.db2.gz GMQMJKBTAKNAIO-UHFFFAOYSA-N 1 3 296.415 -0.153 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152347354 815116546 /nfs/dbraw/zinc/11/65/46/815116546.db2.gz DQDRUVSIECKPGC-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001152433164 815121733 /nfs/dbraw/zinc/12/17/33/815121733.db2.gz VYXRZNZBSAZHHK-GFCCVEGCSA-N 1 3 294.403 -0.189 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001152458020 815124253 /nfs/dbraw/zinc/12/42/53/815124253.db2.gz KTYIVQPKKDLNTB-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001152458351 815124417 /nfs/dbraw/zinc/12/44/17/815124417.db2.gz NYTKJMXGZBHREO-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH+](C)C[C@H]1COCCN1c1cc2c(nn1)CCNC2 ZINC001154976646 815255459 /nfs/dbraw/zinc/25/54/59/815255459.db2.gz JNXQVTGWSFDNJE-LBPRGKRZSA-N 1 3 277.372 -0.111 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155789925 815311200 /nfs/dbraw/zinc/31/12/00/815311200.db2.gz HZABVJIJQOQEEJ-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155789196 815311791 /nfs/dbraw/zinc/31/17/91/815311791.db2.gz BIBGRSSJIKNMQV-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CN(c1nccc(C2CC[NH2+]CC2)n1)S(=O)(=O)CCN ZINC001156237852 815349435 /nfs/dbraw/zinc/34/94/35/815349435.db2.gz AKRNMANMOQUZCQ-UHFFFAOYSA-N 1 3 299.400 -0.332 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558888 810280775 /nfs/dbraw/zinc/28/07/75/810280775.db2.gz ZDHLEDKXORRMJG-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCO ZINC001088836227 810363793 /nfs/dbraw/zinc/36/37/93/810363793.db2.gz LDPXMGUUADQRJO-YPMHNXCESA-N 1 3 269.389 -0.101 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536531 810518477 /nfs/dbraw/zinc/51/84/77/810518477.db2.gz FVRPQQCQOFIKMR-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO CN1CCc2nc(Cl)nc(-n3nnc(CC[NH3+])n3)c2C1 ZINC001156989246 815395803 /nfs/dbraw/zinc/39/58/03/815395803.db2.gz GEWCQVGDMNQSAV-UHFFFAOYSA-N 1 3 294.750 -0.405 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001096539974 810781112 /nfs/dbraw/zinc/78/11/12/810781112.db2.gz FCBFHHBBDCBSIB-NDBYEHHHSA-N 1 3 267.373 -0.348 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001096539974 810781119 /nfs/dbraw/zinc/78/11/19/810781119.db2.gz FCBFHHBBDCBSIB-NDBYEHHHSA-N 1 3 267.373 -0.348 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001098393856 810843796 /nfs/dbraw/zinc/84/37/96/810843796.db2.gz FCBFHHBBDCBSIB-LPWJVIDDSA-N 1 3 267.373 -0.348 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001098393856 810843802 /nfs/dbraw/zinc/84/38/02/810843802.db2.gz FCBFHHBBDCBSIB-LPWJVIDDSA-N 1 3 267.373 -0.348 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082688 815403735 /nfs/dbraw/zinc/40/37/35/815403735.db2.gz NNXQQUBZKSKBNU-NSHDSACASA-N 1 3 281.360 -0.262 20 0 CBADHO N[C@H](C(=O)NCc1cc2n(n1)CCCO2)C1CC[NH2+]CC1 ZINC001157081845 815404448 /nfs/dbraw/zinc/40/44/48/815404448.db2.gz CMJNSXGZYWVOIK-ZDUSSCGKSA-N 1 3 293.371 -0.391 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001099898427 810962468 /nfs/dbraw/zinc/96/24/68/810962468.db2.gz BGNJIANNVCMGFU-RYUDHWBXSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001099898427 810962475 /nfs/dbraw/zinc/96/24/75/810962475.db2.gz BGNJIANNVCMGFU-RYUDHWBXSA-N 1 3 287.404 -0.740 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971860 810981944 /nfs/dbraw/zinc/98/19/44/810981944.db2.gz NLHSUZXFDCNPNT-OLZOCXBDSA-N 1 3 299.415 -0.474 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100082434 811017634 /nfs/dbraw/zinc/01/76/34/811017634.db2.gz BQPXPGREPCRVAY-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100082434 811017640 /nfs/dbraw/zinc/01/76/40/811017640.db2.gz BQPXPGREPCRVAY-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100406044 811056627 /nfs/dbraw/zinc/05/66/27/811056627.db2.gz YRDLZHDNPPVSBE-UHFFFAOYSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647437 811070862 /nfs/dbraw/zinc/07/08/62/811070862.db2.gz VEISWJQXXIEXOE-ORHYLEIMSA-N 1 3 298.431 -0.197 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100769322 811077489 /nfs/dbraw/zinc/07/74/89/811077489.db2.gz DMFAUNBBCAYPTG-BPCQOVAHSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100904794 811084620 /nfs/dbraw/zinc/08/46/20/811084620.db2.gz HLPMWNVINWKQLJ-UHFFFAOYSA-N 1 3 257.378 -0.195 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001101039663 811091645 /nfs/dbraw/zinc/09/16/45/811091645.db2.gz XHQMSXQBVTZUEC-BPCQOVAHSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001101039333 811091952 /nfs/dbraw/zinc/09/19/52/811091952.db2.gz HIKJPDPIMKQVKL-UHFFFAOYSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318646 811153707 /nfs/dbraw/zinc/15/37/07/811153707.db2.gz CMPVAKTYJSLTFN-UPJWGTAASA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396877 811182717 /nfs/dbraw/zinc/18/27/17/811182717.db2.gz NQYCAXUUSKVIMB-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)n1nnc2ccccc21 ZINC001157420815 815431524 /nfs/dbraw/zinc/43/15/24/815431524.db2.gz AOPPEWLRUFFMMT-SECBINFHSA-N 1 3 299.338 -0.861 20 0 CBADHO CN[C@@H](CCCC[NH3+])C(=O)N(C(=N)N)c1cc(C)[nH]n1 ZINC001157440028 815434412 /nfs/dbraw/zinc/43/44/12/815434412.db2.gz QJBSRECQWISWPX-VIFPVBQESA-N 1 3 281.364 -0.338 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(N)=O ZINC001106705025 811314612 /nfs/dbraw/zinc/31/46/12/811314612.db2.gz NVBFFJZWCOIJGT-NXEZZACHSA-N 1 3 279.344 -0.878 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(C)C(=O)C1 ZINC001157484218 815438084 /nfs/dbraw/zinc/43/80/84/815438084.db2.gz AHNGREPUMXMMFG-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106910774 811318515 /nfs/dbraw/zinc/31/85/15/811318515.db2.gz ODTRGIAACPYKLY-VXGBXAGGSA-N 1 3 284.404 -0.502 20 0 CBADHO CNC(=O)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157495915 815439144 /nfs/dbraw/zinc/43/91/44/815439144.db2.gz OEBHVVJRADVQKC-IUODEOHRSA-N 1 3 294.399 -0.830 20 0 CBADHO COC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157508763 815440170 /nfs/dbraw/zinc/44/01/70/815440170.db2.gz ZTBGSSGOEIVOBH-BXUZGUMPSA-N 1 3 296.371 -0.904 20 0 CBADHO CCN(CC[NH2+]C[C@H](C)O)C(=O)CN1CCCC1 ZINC001320921576 817411361 /nfs/dbraw/zinc/41/13/61/817411361.db2.gz NLLAWRHYQFKUPI-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO NC(=O)C1CC[NH+](CCC(=O)N2C[C@@H](F)[C@@H](N)C2)CC1 ZINC001157537018 815442874 /nfs/dbraw/zinc/44/28/74/815442874.db2.gz SEKTVGXVYIHWBU-MNOVXSKESA-N 1 3 286.351 -0.919 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537043 815443579 /nfs/dbraw/zinc/44/35/79/815443579.db2.gz TXXUNPPBVNHDQO-DCQANWLSSA-N 1 3 271.336 -0.347 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1F ZINC001157537147 815444173 /nfs/dbraw/zinc/44/41/73/815444173.db2.gz ZHSUGWWMEUSQCU-OUAUKWLOSA-N 1 3 271.336 -0.347 20 0 CBADHO N[C@H]1CN(C(=O)c2cccnc2O[C@H]2CC[NH2+]C2)C[C@H]1F ZINC001157547667 815444712 /nfs/dbraw/zinc/44/47/12/815444712.db2.gz AAMCBUHGMBRCCM-WCQGTBRESA-N 1 3 294.330 -0.057 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545493 815444971 /nfs/dbraw/zinc/44/49/71/815444971.db2.gz UDDAYMYMZLVYKC-VWYCJHECSA-N 1 3 274.340 -0.872 20 0 CBADHO N[C@H]1CN(C(=O)c2cnc3n2CC[NH2+]CC3)C[C@H]1F ZINC001157559334 815445211 /nfs/dbraw/zinc/44/52/11/815445211.db2.gz BHHMRQJZGLRCGK-BDAKNGLRSA-N 1 3 267.308 -0.850 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2cnccc2C1 ZINC001157568633 815446477 /nfs/dbraw/zinc/44/64/77/815446477.db2.gz TZMZMKFCFHYEEW-LBPRGKRZSA-N 1 3 280.397 -0.015 20 0 CBADHO C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCO1 ZINC001157704267 815454287 /nfs/dbraw/zinc/45/42/87/815454287.db2.gz WJKAAOIFJPZKHM-OUCADQQQSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720256 815456637 /nfs/dbraw/zinc/45/66/37/815456637.db2.gz DPDAIGOVZPPLDU-STQMWFEESA-N 1 3 298.431 -0.495 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720256 815456641 /nfs/dbraw/zinc/45/66/41/815456641.db2.gz DPDAIGOVZPPLDU-STQMWFEESA-N 1 3 298.431 -0.495 20 0 CBADHO N[C@H](C(=O)N1CCC[C@@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729654 815457229 /nfs/dbraw/zinc/45/72/29/815457229.db2.gz CTSCARQBWVLJTP-PWSUYJOCSA-N 1 3 271.336 -0.157 20 0 CBADHO N[C@H](C(=O)N1CC(F)(F)CC[C@H]1CO)C1CC[NH2+]CC1 ZINC001157730028 815458139 /nfs/dbraw/zinc/45/81/39/815458139.db2.gz GXSDIOAOENRDAG-QWRGUYRKSA-N 1 3 291.342 -0.068 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157731405 815459571 /nfs/dbraw/zinc/45/95/71/815459571.db2.gz UPJZPZVCGYYVCN-MXWKQRLJSA-N 1 3 261.341 -0.378 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@](O)(CF)CC1 ZINC001157782271 815465880 /nfs/dbraw/zinc/46/58/80/815465880.db2.gz XZYKFPLANCKVED-BXUZGUMPSA-N 1 3 285.363 -0.492 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780413 815466055 /nfs/dbraw/zinc/46/60/55/815466055.db2.gz FICHUDMXYQLTAV-CMPLNLGQSA-N 1 3 261.341 -0.234 20 0 CBADHO C[C@@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C[C@@H]1[NH3+] ZINC001157821642 815469354 /nfs/dbraw/zinc/46/93/54/815469354.db2.gz UFMQUPRLZNKJBE-SCZZXKLOSA-N 1 3 263.345 -0.135 20 0 CBADHO [NH3+]C[C@@]1(F)CCN(c2ncc3c(n2)CCNC3)C1 ZINC001157813294 815469723 /nfs/dbraw/zinc/46/97/23/815469723.db2.gz PWMGKCVZLSBJEE-LBPRGKRZSA-N 1 3 251.309 -0.001 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cncn1C ZINC001157841106 815470423 /nfs/dbraw/zinc/47/04/23/815470423.db2.gz DZPSGWFAWCHUMX-MDZLAQPJSA-N 1 3 279.388 -0.124 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CC[S@@](C)=O ZINC001157843796 815470573 /nfs/dbraw/zinc/47/05/73/815470573.db2.gz SWSJSBGTVCSZQC-HTVKDHMFSA-N 1 3 275.418 -0.332 20 0 CBADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414238 811748284 /nfs/dbraw/zinc/74/82/84/811748284.db2.gz PAEINMWDNMKJSM-PBOSXPJTSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414238 811748286 /nfs/dbraw/zinc/74/82/86/811748286.db2.gz PAEINMWDNMKJSM-PBOSXPJTSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H]1C[C@@H](CO)N(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001157853365 815472215 /nfs/dbraw/zinc/47/22/15/815472215.db2.gz AEQYEASVHWSGIL-ZMLRMANQSA-N 1 3 255.362 -0.457 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001114463564 811750728 /nfs/dbraw/zinc/75/07/28/811750728.db2.gz JUVFAJCFWBFBLH-RGDJUOJXSA-N 1 3 299.415 -0.620 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001114463564 811750734 /nfs/dbraw/zinc/75/07/34/811750734.db2.gz JUVFAJCFWBFBLH-RGDJUOJXSA-N 1 3 299.415 -0.620 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1F ZINC001157900827 815478715 /nfs/dbraw/zinc/47/87/15/815478715.db2.gz SHUYRONEQUMDIK-ZMJPVWNMSA-N 1 3 285.363 -0.493 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@@H]1F ZINC001157900893 815479258 /nfs/dbraw/zinc/47/92/58/815479258.db2.gz UTTLBHWNDFYFTG-JBLDHEPKSA-N 1 3 271.336 -0.883 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904084 815480078 /nfs/dbraw/zinc/48/00/78/815480078.db2.gz IXPWLJUEBZMVJQ-AGIUHOORSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904084 815480082 /nfs/dbraw/zinc/48/00/82/815480082.db2.gz IXPWLJUEBZMVJQ-AGIUHOORSA-N 1 3 297.399 -0.938 20 0 CBADHO C[C@@]1(CO)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1O ZINC001157946482 815491077 /nfs/dbraw/zinc/49/10/77/815491077.db2.gz NNLYVDNRVBIWAI-GVXVVHGQSA-N 1 3 273.377 -0.966 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969991 815493161 /nfs/dbraw/zinc/49/31/61/815493161.db2.gz OROMPQQGNXCZRI-MRVPVSSYSA-N 1 3 296.293 -0.714 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969992 815493192 /nfs/dbraw/zinc/49/31/92/815493192.db2.gz OROMPQQGNXCZRI-QMMMGPOBSA-N 1 3 296.293 -0.714 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@](F)(CO)CC1 ZINC001157935905 815488448 /nfs/dbraw/zinc/48/84/48/815488448.db2.gz XHOUUVRMKMWRBT-SMDDNHRTSA-N 1 3 285.363 -0.492 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001158014469 815498375 /nfs/dbraw/zinc/49/83/75/815498375.db2.gz LXAORGKAGAZJHN-CIUDSAMLSA-N 1 3 293.364 -0.882 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082239 815503317 /nfs/dbraw/zinc/50/33/17/815503317.db2.gz MJKUNDQAFMPMCF-JEOXALJRSA-N 1 3 287.429 -0.188 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114750213 812157072 /nfs/dbraw/zinc/15/70/72/812157072.db2.gz CXBUHKYGYJPNPV-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161854 815506997 /nfs/dbraw/zinc/50/69/97/815506997.db2.gz RKNJYBZABKNJKI-XAEJFWIOSA-N 1 3 287.429 -0.173 20 0 CBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115144125 812180663 /nfs/dbraw/zinc/18/06/63/812180663.db2.gz QPOHBLGBLSQGGY-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001115160044 812182619 /nfs/dbraw/zinc/18/26/19/812182619.db2.gz NYZBVGGNPULLQF-RMRHIDDWSA-N 1 3 299.415 -0.618 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001115160044 812182622 /nfs/dbraw/zinc/18/26/22/812182622.db2.gz NYZBVGGNPULLQF-RMRHIDDWSA-N 1 3 299.415 -0.618 20 0 CBADHO CN1CCN(CCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158198498 815512835 /nfs/dbraw/zinc/51/28/35/815512835.db2.gz FUPLHKDCBNUQNL-QWHCGFSZSA-N 1 3 266.389 -0.413 20 0 CBADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170167 815509311 /nfs/dbraw/zinc/50/93/11/815509311.db2.gz WOJDHKWFNLDHAD-GFCCVEGCSA-N 1 3 294.399 -0.939 20 0 CBADHO N[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC(O)CC1 ZINC001158178697 815509534 /nfs/dbraw/zinc/50/95/34/815509534.db2.gz ARFMUZYCPNYXRA-ZFKITPQFSA-N 1 3 297.399 -0.688 20 0 CBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192885 815511735 /nfs/dbraw/zinc/51/17/35/815511735.db2.gz HVIWDJVZNVZUOQ-KGYLQXTDSA-N 1 3 275.356 -0.435 20 0 CBADHO N[C@@H](C(=O)N1CC2(C1)CCCO2)C1CC[NH2+]CC1 ZINC001158239699 815516473 /nfs/dbraw/zinc/51/64/73/815516473.db2.gz GYSODKBWEQFFDW-LLVKDONJSA-N 1 3 253.346 -0.295 20 0 CBADHO N[C@@H](C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158319603 815519113 /nfs/dbraw/zinc/51/91/13/815519113.db2.gz JQFAFAKUCSNQRH-OUAUKWLOSA-N 1 3 289.326 -0.194 20 0 CBADHO C[C@H]1C[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117084376 812363147 /nfs/dbraw/zinc/36/31/47/812363147.db2.gz MMLBUXACTKYUJU-QWHCGFSZSA-N 1 3 298.431 -0.290 20 0 CBADHO O=C([C@@H]1C[NH2+]C[C@H]1O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336010 815520634 /nfs/dbraw/zinc/52/06/34/815520634.db2.gz GDHLZBVRUOUROM-LXTVHRRPSA-N 1 3 287.363 -0.336 20 0 CBADHO CC1CC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117387278 812395144 /nfs/dbraw/zinc/39/51/44/812395144.db2.gz QQBKITMYPJEBHQ-UHFFFAOYSA-N 1 3 298.431 -0.147 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CC1CC[NH2+]CC1 ZINC001118179188 812485870 /nfs/dbraw/zinc/48/58/70/812485870.db2.gz NAIRSYISCMZQCQ-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001118550370 812573713 /nfs/dbraw/zinc/57/37/13/812573713.db2.gz DZLSGSUCSMMRPE-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC1(C)C[NH2+][C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118571608 812580673 /nfs/dbraw/zinc/58/06/73/812580673.db2.gz GIPKBMKGVWTLEL-JTQLQIEISA-N 1 3 265.317 -0.745 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567168 815538610 /nfs/dbraw/zinc/53/86/10/815538610.db2.gz FKTJUIFUYOTHIC-WCQGTBRESA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567168 815538612 /nfs/dbraw/zinc/53/86/12/815538612.db2.gz FKTJUIFUYOTHIC-WCQGTBRESA-N 1 3 295.362 -0.185 20 0 CBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(CN)ncn1)CC2 ZINC001158640210 815542332 /nfs/dbraw/zinc/54/23/32/815542332.db2.gz XRVGBKJGICXSBJ-BXUZGUMPSA-N 1 3 291.355 -0.333 20 0 CBADHO N[C@H](C(=O)N1CCCC(=O)CC1)C1CC[NH2+]CC1 ZINC001158671274 815542433 /nfs/dbraw/zinc/54/24/33/815542433.db2.gz HSFNWMHOKYGPER-LBPRGKRZSA-N 1 3 253.346 -0.105 20 0 CBADHO [NH3+][C@@H]1CN(c2ncc3c(n2)CCNC3)CC12COC2 ZINC001158762736 815545523 /nfs/dbraw/zinc/54/55/23/815545523.db2.gz APOZOXBOZDLDRF-LLVKDONJSA-N 1 3 261.329 -0.714 20 0 CBADHO C[C@@H]1C[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001119200899 812723773 /nfs/dbraw/zinc/72/37/73/812723773.db2.gz YBBRYSRGXJBWCD-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO Cn1cc(-c2nc(CNC(CN)C[NH3+])cs2)cn1 ZINC001119618336 812834327 /nfs/dbraw/zinc/83/43/27/812834327.db2.gz HDZDAZIABYWFMQ-UHFFFAOYSA-N 1 3 266.374 -0.081 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159083937 815557716 /nfs/dbraw/zinc/55/77/16/815557716.db2.gz CTSWASXVGVCYBZ-LOWDOPEQSA-N 1 3 285.388 -0.153 20 0 CBADHO C[NH+](C)C[C@H](O)CNC[C@H](O)CCC1(O)CCC1 ZINC001120273861 812946965 /nfs/dbraw/zinc/94/69/65/812946965.db2.gz UDUSGPMFUVRKSD-VXGBXAGGSA-N 1 3 260.378 -0.445 20 0 CBADHO C[NH+](C)C[C@@H](O)CNC[C@H](O)CCC1(O)CCC1 ZINC001120273858 812946947 /nfs/dbraw/zinc/94/69/47/812946947.db2.gz UDUSGPMFUVRKSD-NEPJUHHUSA-N 1 3 260.378 -0.445 20 0 CBADHO CN1CCN(C)[C@H](CNc2nccnc2C[NH3+])C1 ZINC001120895448 813026508 /nfs/dbraw/zinc/02/65/08/813026508.db2.gz BHRYOUGYODHDBO-SNVBAGLBSA-N 1 3 250.350 -0.407 20 0 CBADHO O=C(NCCN1CCCC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121902529 813087834 /nfs/dbraw/zinc/08/78/34/813087834.db2.gz ZAYVQVYBGRVTRM-OCCSQVGLSA-N 1 3 267.373 -0.176 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001121904268 813087979 /nfs/dbraw/zinc/08/79/79/813087979.db2.gz XAPLUGMTEQAJOX-LLVKDONJSA-N 1 3 273.377 -0.952 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001121987827 813100857 /nfs/dbraw/zinc/10/08/57/813100857.db2.gz BIXIUWYJUZZAGA-RYUDHWBXSA-N 1 3 267.373 -0.129 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1COC2(CNC2)C1 ZINC001122064406 813112057 /nfs/dbraw/zinc/11/20/57/813112057.db2.gz XQLWOQHJNAEGPS-GMTAPVOTSA-N 1 3 253.346 -0.521 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CNCCN2C)C[C@H]1C[NH3+] ZINC001122075146 813113304 /nfs/dbraw/zinc/11/33/04/813113304.db2.gz GVBSCCLQWCKJBP-XQHKEYJVSA-N 1 3 268.405 -0.278 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001122075300 813113390 /nfs/dbraw/zinc/11/33/90/813113390.db2.gz KHMJRSAMRCMJKP-LOWVWBTDSA-N 1 3 255.362 -0.300 20 0 CBADHO C[C@H](Nc1ncc2c(n1)CCNC2)[C@H]1C[NH2+]CCO1 ZINC001159500828 815577684 /nfs/dbraw/zinc/57/76/84/815577684.db2.gz XTRSSTWWMDFKCY-JOYOIKCWSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@H](Nc1ncc2c(n1)CC[NH2+]C2)[C@H]1CNCCO1 ZINC001159500828 815577687 /nfs/dbraw/zinc/57/76/87/815577687.db2.gz XTRSSTWWMDFKCY-JOYOIKCWSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1ncc2c(n1)CCNC2)[C@@H]1C[NH2+]CCO1 ZINC001159500831 815577695 /nfs/dbraw/zinc/57/76/95/815577695.db2.gz XTRSSTWWMDFKCY-SKDRFNHKSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1ncc2c(n1)CC[NH2+]C2)[C@@H]1CNCCO1 ZINC001159500831 815577698 /nfs/dbraw/zinc/57/76/98/815577698.db2.gz XTRSSTWWMDFKCY-SKDRFNHKSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1ncnc2c1CCNC2)[C@H]1C[NH2+]CCO1 ZINC001159500196 815577947 /nfs/dbraw/zinc/57/79/47/815577947.db2.gz WLOYBRJUBDLVHG-BXKDBHETSA-N 1 3 263.345 -0.089 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)C1(F)F ZINC001122143963 813123872 /nfs/dbraw/zinc/12/38/72/813123872.db2.gz RVBUIYHNGRZKOF-XLPZGREQSA-N 1 3 261.272 -0.927 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH3+])N1CCCCC1 ZINC001122149297 813125332 /nfs/dbraw/zinc/12/53/32/813125332.db2.gz UUUDWJFVEKYCJA-RYUDHWBXSA-N 1 3 257.378 -0.067 20 0 CBADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122156451 813126028 /nfs/dbraw/zinc/12/60/28/813126028.db2.gz NNZGUOMIANFNOX-UTUOFQBUSA-N 1 3 255.362 -0.267 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](N)C1CCCCC1 ZINC001122183904 813129318 /nfs/dbraw/zinc/12/93/18/813129318.db2.gz YUXLKCWIIQBWFN-NEPJUHHUSA-N 1 3 257.378 -0.067 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CNCCN1C ZINC001122214930 813134068 /nfs/dbraw/zinc/13/40/68/813134068.db2.gz QVHSDFPRVYBSGQ-NEPJUHHUSA-N 1 3 254.378 -0.510 20 0 CBADHO CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001122229108 813136168 /nfs/dbraw/zinc/13/61/68/813136168.db2.gz NPEXLWNPKREAIJ-MNOVXSKESA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C(=O)[C@@H](N)CC(F)F)C1(C[NH3+])CCOCC1 ZINC001122354679 813151861 /nfs/dbraw/zinc/15/18/61/813151861.db2.gz DNWUNXQYPUXOLK-QMMMGPOBSA-N 1 3 265.304 -0.065 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)N(C)C ZINC001122291456 813140990 /nfs/dbraw/zinc/14/09/90/813140990.db2.gz KRKPWMKGJHWHAE-YPMHNXCESA-N 1 3 257.378 -0.115 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)N(C)C ZINC001122291453 813141093 /nfs/dbraw/zinc/14/10/93/813141093.db2.gz KRKPWMKGJHWHAE-DGCLKSJQSA-N 1 3 257.378 -0.115 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001122412733 813162465 /nfs/dbraw/zinc/16/24/65/813162465.db2.gz XZJZYZPOVVKIMS-BREBYQMCSA-N 1 3 269.345 -0.393 20 0 CBADHO CC(C)([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001122442407 813165612 /nfs/dbraw/zinc/16/56/12/813165612.db2.gz OVPKVAOJWCUIJE-GHMZBOCLSA-N 1 3 255.362 -0.219 20 0 CBADHO CN1CCN(c2ccc(N[C@@H](N)CCC[NH3+])nn2)CC1 ZINC001159780193 815594897 /nfs/dbraw/zinc/59/48/97/815594897.db2.gz SZRFHGORWKSHPW-LLVKDONJSA-N 1 3 279.392 -0.336 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(N)=O)CCC1 ZINC001159853240 815600373 /nfs/dbraw/zinc/60/03/73/815600373.db2.gz BBVCOJOYIFWCNQ-UHFFFAOYSA-N 1 3 256.350 -0.948 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001159855013 815601193 /nfs/dbraw/zinc/60/11/93/815601193.db2.gz ZWHNMWCPBIVGJF-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159863305 815601701 /nfs/dbraw/zinc/60/17/01/815601701.db2.gz RPNUIZVCOCXSRZ-NEPJUHHUSA-N 1 3 296.415 -0.231 20 0 CBADHO CN(CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1)C1CCC1 ZINC001123859594 813281067 /nfs/dbraw/zinc/28/10/67/813281067.db2.gz HBWGYTICKJWCLP-CQSZACIVSA-N 1 3 269.389 -0.004 20 0 CBADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866942 813489328 /nfs/dbraw/zinc/48/93/28/813489328.db2.gz NZZMIHBSHQCGCL-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124867482 813491797 /nfs/dbraw/zinc/49/17/97/813491797.db2.gz WIQSMNXSHJVVBA-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124878404 813493692 /nfs/dbraw/zinc/49/36/92/813493692.db2.gz LQWRHIVEWMCQAQ-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124878401 813493790 /nfs/dbraw/zinc/49/37/90/813493790.db2.gz LQWRHIVEWMCQAQ-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001127065620 813708843 /nfs/dbraw/zinc/70/88/43/813708843.db2.gz CDIXDOQDVQLWPH-SNVBAGLBSA-N 1 3 256.350 -0.950 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001127065620 813708849 /nfs/dbraw/zinc/70/88/49/813708849.db2.gz CDIXDOQDVQLWPH-SNVBAGLBSA-N 1 3 256.350 -0.950 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066826 813709926 /nfs/dbraw/zinc/70/99/26/813709926.db2.gz SRCMDBHCHVSLQS-LLVKDONJSA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066826 813709933 /nfs/dbraw/zinc/70/99/33/813709933.db2.gz SRCMDBHCHVSLQS-LLVKDONJSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001127065845 813710001 /nfs/dbraw/zinc/71/00/01/813710001.db2.gz FYETYRJCVMRYEL-CHWSQXEVSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001127065845 813710004 /nfs/dbraw/zinc/71/00/04/813710004.db2.gz FYETYRJCVMRYEL-CHWSQXEVSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001127065667 813710021 /nfs/dbraw/zinc/71/00/21/813710021.db2.gz CUNUUECIHUJGKL-RYUDHWBXSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001127065667 813710028 /nfs/dbraw/zinc/71/00/28/813710028.db2.gz CUNUUECIHUJGKL-RYUDHWBXSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001127067498 813710456 /nfs/dbraw/zinc/71/04/56/813710456.db2.gz YKYAQOPOSRYFFF-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001127067498 813710459 /nfs/dbraw/zinc/71/04/59/813710459.db2.gz YKYAQOPOSRYFFF-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082501 813711882 /nfs/dbraw/zinc/71/18/82/813711882.db2.gz SHHBNHDEFGCWBW-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082501 813711885 /nfs/dbraw/zinc/71/18/85/813711885.db2.gz SHHBNHDEFGCWBW-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475370 813731747 /nfs/dbraw/zinc/73/17/47/813731747.db2.gz USLYJYCDQFBBGD-GFCCVEGCSA-N 1 3 282.388 -0.878 20 0 CBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001127475131 813732272 /nfs/dbraw/zinc/73/22/72/813732272.db2.gz RGKCVHAYYUWORV-ZDUSSCGKSA-N 1 3 294.399 -0.687 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481574 813733021 /nfs/dbraw/zinc/73/30/21/813733021.db2.gz USPYWIVLCRTHMA-PWSUYJOCSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481133 813734124 /nfs/dbraw/zinc/73/41/24/813734124.db2.gz PVKRVFJWZXNWAF-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127644262 813738713 /nfs/dbraw/zinc/73/87/13/813738713.db2.gz XESHXQSUBXEBMW-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127644262 813738720 /nfs/dbraw/zinc/73/87/20/813738720.db2.gz XESHXQSUBXEBMW-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C)C)CC[N@@H+]1C ZINC001127695544 813741380 /nfs/dbraw/zinc/74/13/80/813741380.db2.gz PWWFFHUZPOYETK-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C)C)CC[N@H+]1C ZINC001127695544 813741385 /nfs/dbraw/zinc/74/13/85/813741385.db2.gz PWWFFHUZPOYETK-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127701470 813742206 /nfs/dbraw/zinc/74/22/06/813742206.db2.gz PPFOYHNTCAMNJP-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001127701470 813742212 /nfs/dbraw/zinc/74/22/12/813742212.db2.gz PPFOYHNTCAMNJP-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128533193 813779088 /nfs/dbraw/zinc/77/90/88/813779088.db2.gz IRSBRQWUCBHPLN-GHMZBOCLSA-N 1 3 288.367 -0.739 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@H](F)CN(CC)CC)C(N)=O ZINC001128539864 813779397 /nfs/dbraw/zinc/77/93/97/813779397.db2.gz MHHZHPPFDSJFIB-MNOVXSKESA-N 1 3 290.383 -0.364 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001128773927 813796866 /nfs/dbraw/zinc/79/68/66/813796866.db2.gz IYCRFRKPBROXIT-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001128773927 813796875 /nfs/dbraw/zinc/79/68/75/813796875.db2.gz IYCRFRKPBROXIT-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001128774216 813797336 /nfs/dbraw/zinc/79/73/36/813797336.db2.gz PEKPKWXFNWGHQD-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001128774216 813797339 /nfs/dbraw/zinc/79/73/39/813797339.db2.gz PEKPKWXFNWGHQD-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001128778156 813797787 /nfs/dbraw/zinc/79/77/87/813797787.db2.gz BNTXZWOQPDOWOI-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001128778156 813797792 /nfs/dbraw/zinc/79/77/92/813797792.db2.gz BNTXZWOQPDOWOI-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC ZINC001128783869 813799777 /nfs/dbraw/zinc/79/97/77/813799777.db2.gz JLDXVUUHCCJBFP-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC ZINC001128783869 813799783 /nfs/dbraw/zinc/79/97/83/813799783.db2.gz JLDXVUUHCCJBFP-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001129363529 813839744 /nfs/dbraw/zinc/83/97/44/813839744.db2.gz IRVHFPVIGMQLKI-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001129418986 813841122 /nfs/dbraw/zinc/84/11/22/813841122.db2.gz ZTGUHRZPLAITPK-CHWSQXEVSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001129418986 813841131 /nfs/dbraw/zinc/84/11/31/813841131.db2.gz ZTGUHRZPLAITPK-CHWSQXEVSA-N 1 3 296.415 -0.156 20 0 CBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)N1CCCC1)C1CC1 ZINC001129435152 813841541 /nfs/dbraw/zinc/84/15/41/813841541.db2.gz CFNFYLOPEUBXOF-AWEZNQCLSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435169 813842059 /nfs/dbraw/zinc/84/20/59/813842059.db2.gz CNZVSPWMXUBRPO-LBPRGKRZSA-N 1 3 270.377 -0.879 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001129422729 813843505 /nfs/dbraw/zinc/84/35/05/813843505.db2.gz LHNSRPVMRUNBDN-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001129422729 813843516 /nfs/dbraw/zinc/84/35/16/813843516.db2.gz LHNSRPVMRUNBDN-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(N)=O ZINC001129422732 813843849 /nfs/dbraw/zinc/84/38/49/813843849.db2.gz LHNSRPVMRUNBDN-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(N)=O ZINC001129422732 813843863 /nfs/dbraw/zinc/84/38/63/813843863.db2.gz LHNSRPVMRUNBDN-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001129437178 813844730 /nfs/dbraw/zinc/84/47/30/813844730.db2.gz WUYUZVCKNFDSRY-RYUDHWBXSA-N 1 3 282.388 -0.689 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437403 813845460 /nfs/dbraw/zinc/84/54/60/813845460.db2.gz ZXAPBJDYZGAUGS-LBPRGKRZSA-N 1 3 270.377 -0.832 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)C1CC1 ZINC001129442694 813846213 /nfs/dbraw/zinc/84/62/13/813846213.db2.gz CZXYFEHZNFQGES-LBPRGKRZSA-N 1 3 297.403 -0.942 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)C1CC1 ZINC001129444080 813846231 /nfs/dbraw/zinc/84/62/31/813846231.db2.gz PUOBFVISSGUEMW-AWEZNQCLSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN[C@H]1CCNC1=O ZINC001129854973 813870590 /nfs/dbraw/zinc/87/05/90/813870590.db2.gz AQIZYGLXUVNGMT-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN[C@H]1CCNC1=O ZINC001129854973 813870596 /nfs/dbraw/zinc/87/05/96/813870596.db2.gz AQIZYGLXUVNGMT-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001129854974 813870816 /nfs/dbraw/zinc/87/08/16/813870816.db2.gz AQIZYGLXUVNGMT-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001129854974 813870827 /nfs/dbraw/zinc/87/08/27/813870827.db2.gz AQIZYGLXUVNGMT-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839428 813870958 /nfs/dbraw/zinc/87/09/58/813870958.db2.gz ACNCTNYKBLISAI-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839428 813870966 /nfs/dbraw/zinc/87/09/66/813870966.db2.gz ACNCTNYKBLISAI-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001129947126 813882925 /nfs/dbraw/zinc/88/29/25/813882925.db2.gz KZLRIRZFDSZNKF-JQWIXIFHSA-N 1 3 298.387 -0.916 20 0 CBADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137141 813910870 /nfs/dbraw/zinc/91/08/70/813910870.db2.gz LHNOHWUOPFZMTL-OLZOCXBDSA-N 1 3 294.403 -0.020 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173734 813913291 /nfs/dbraw/zinc/91/32/91/813913291.db2.gz MOXUGETYKAQGFI-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001130203194 813918055 /nfs/dbraw/zinc/91/80/55/813918055.db2.gz IPYIPPUWCVGGOI-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCOCCO)N(C)C ZINC001130203426 813919220 /nfs/dbraw/zinc/91/92/20/813919220.db2.gz LHTPPMSFMLZPPD-LLVKDONJSA-N 1 3 261.366 -0.959 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130425351 813938873 /nfs/dbraw/zinc/93/88/73/813938873.db2.gz VERPYGUQXOTRRI-JTQLQIEISA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130425351 813938877 /nfs/dbraw/zinc/93/88/77/813938877.db2.gz VERPYGUQXOTRRI-JTQLQIEISA-N 1 3 298.387 -0.772 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419316 813938929 /nfs/dbraw/zinc/93/89/29/813938929.db2.gz UMHWQCVUVPIYBR-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419316 813938933 /nfs/dbraw/zinc/93/89/33/813938933.db2.gz UMHWQCVUVPIYBR-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522137 814037517 /nfs/dbraw/zinc/03/75/17/814037517.db2.gz UFYDBWWEADTXPN-UQJCBBSYSA-N 1 3 297.399 -0.410 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CCN(CCO)C2)O1 ZINC001131682395 814053808 /nfs/dbraw/zinc/05/38/08/814053808.db2.gz OQKFBVSYQJDSIU-UKRRQHHQSA-N 1 3 299.415 -0.378 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789957 814069192 /nfs/dbraw/zinc/06/91/92/814069192.db2.gz BVMOHTXBFUIPRD-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCO ZINC001132279410 814120782 /nfs/dbraw/zinc/12/07/82/814120782.db2.gz WSQBZLGGYDHRGA-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)CN1CCO ZINC001132425610 814148116 /nfs/dbraw/zinc/14/81/16/814148116.db2.gz JTBNBUCGYSIRBQ-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995570 814207565 /nfs/dbraw/zinc/20/75/65/814207565.db2.gz YTVBRHHFHBKIHO-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040201 814212499 /nfs/dbraw/zinc/21/24/99/814212499.db2.gz FUQYJPGSLRJXBV-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC1CC1 ZINC001133040265 814212676 /nfs/dbraw/zinc/21/26/76/814212676.db2.gz ISTKDYQYBVMODH-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(N)=O ZINC001133135660 814219906 /nfs/dbraw/zinc/21/99/06/814219906.db2.gz VFLSUWSABRSVIG-WDEREUQCSA-N 1 3 293.371 -0.488 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133190215 814225357 /nfs/dbraw/zinc/22/53/57/814225357.db2.gz FLXYWNQIIGELMT-STQMWFEESA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133190214 814226429 /nfs/dbraw/zinc/22/64/29/814226429.db2.gz FLXYWNQIIGELMT-QWHCGFSZSA-N 1 3 298.431 -0.112 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133288311 814235040 /nfs/dbraw/zinc/23/50/40/814235040.db2.gz VFHIFBVZIBBRKE-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001133285782 814235562 /nfs/dbraw/zinc/23/55/62/814235562.db2.gz IKIBEXRAUNXFDH-UHFFFAOYSA-N 1 3 296.415 -0.440 20 0 CBADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001133282080 814235874 /nfs/dbraw/zinc/23/58/74/814235874.db2.gz ZWVWQIRDSGTYTB-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133281816 814236396 /nfs/dbraw/zinc/23/63/96/814236396.db2.gz NPNYIGKDNSTLIG-JTQLQIEISA-N 1 3 270.377 -0.832 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133298186 814239320 /nfs/dbraw/zinc/23/93/20/814239320.db2.gz ZFJKAZXHLJWMFV-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001133433868 814253704 /nfs/dbraw/zinc/25/37/04/814253704.db2.gz CLYIXEPZBVZASD-NWDGAFQWSA-N 1 3 284.404 -0.491 20 0 CBADHO CC[C@@H](C(=O)NCCNCC(=O)N(C)C)[NH+](CC)CC ZINC001133685298 814287860 /nfs/dbraw/zinc/28/78/60/814287860.db2.gz SGQFYIQPDDMHIM-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCNCC(=O)NC)[NH+](CC)CC ZINC001133685331 814288398 /nfs/dbraw/zinc/28/83/98/814288398.db2.gz TVOHEILFYZXEQK-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001133819652 814300979 /nfs/dbraw/zinc/30/09/79/814300979.db2.gz KEYCYWCOODHPQU-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001133819652 814300986 /nfs/dbraw/zinc/30/09/86/814300986.db2.gz KEYCYWCOODHPQU-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCOCCO ZINC001133819832 814301020 /nfs/dbraw/zinc/30/10/20/814301020.db2.gz PIQUZNMLJMBRTN-GFCCVEGCSA-N 1 3 273.377 -0.815 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133824137 814303244 /nfs/dbraw/zinc/30/32/44/814303244.db2.gz YOKKGYGBXXHJRP-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845930 814306206 /nfs/dbraw/zinc/30/62/06/814306206.db2.gz QDSTWSWLVGZJNN-CYBMUJFWSA-N 1 3 287.404 -0.303 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845957 814306230 /nfs/dbraw/zinc/30/62/30/814306230.db2.gz QMFKTSRWTIYAFE-VXGBXAGGSA-N 1 3 273.377 -0.959 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001133846036 814306697 /nfs/dbraw/zinc/30/66/97/814306697.db2.gz SEMVUIUGNBIVAK-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853204 814306626 /nfs/dbraw/zinc/30/66/26/814306626.db2.gz DZXQTYADCXFPBD-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133853204 814306633 /nfs/dbraw/zinc/30/66/33/814306633.db2.gz DZXQTYADCXFPBD-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001133846036 814306687 /nfs/dbraw/zinc/30/66/87/814306687.db2.gz SEMVUIUGNBIVAK-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845576 814308720 /nfs/dbraw/zinc/30/87/20/814308720.db2.gz IWSYTKNKRRBIPI-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845576 814308728 /nfs/dbraw/zinc/30/87/28/814308728.db2.gz IWSYTKNKRRBIPI-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001133845447 814309075 /nfs/dbraw/zinc/30/90/75/814309075.db2.gz GDIBUPAPZYTZBW-ZDUSSCGKSA-N 1 3 279.388 -0.069 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001133853431 814310302 /nfs/dbraw/zinc/31/03/02/814310302.db2.gz IUPVVQMJPOIQCP-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001133853431 814310311 /nfs/dbraw/zinc/31/03/11/814310311.db2.gz IUPVVQMJPOIQCP-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001133853456 814310686 /nfs/dbraw/zinc/31/06/86/814310686.db2.gz KCJWQDLWGKNKFV-GFCCVEGCSA-N 1 3 296.415 -0.440 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001133853456 814310694 /nfs/dbraw/zinc/31/06/94/814310694.db2.gz KCJWQDLWGKNKFV-GFCCVEGCSA-N 1 3 296.415 -0.440 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866715 814312693 /nfs/dbraw/zinc/31/26/93/814312693.db2.gz OBHOBONSQHPLIK-STQMWFEESA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866715 814312699 /nfs/dbraw/zinc/31/26/99/814312699.db2.gz OBHOBONSQHPLIK-STQMWFEESA-N 1 3 296.415 -0.488 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869279 814313013 /nfs/dbraw/zinc/31/30/13/814313013.db2.gz CIFXSGNEBGSRIS-QWHCGFSZSA-N 1 3 298.431 -0.243 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869279 814313023 /nfs/dbraw/zinc/31/30/23/814313023.db2.gz CIFXSGNEBGSRIS-QWHCGFSZSA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867038 814313370 /nfs/dbraw/zinc/31/33/70/814313370.db2.gz QSDXUCMAVPVUTJ-DGCLKSJQSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867038 814313380 /nfs/dbraw/zinc/31/33/80/814313380.db2.gz QSDXUCMAVPVUTJ-DGCLKSJQSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cncn1C ZINC001133866726 814314867 /nfs/dbraw/zinc/31/48/67/814314867.db2.gz OFTIURDAXPZSOI-WCQYABFASA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cncn1C ZINC001133866726 814314877 /nfs/dbraw/zinc/31/48/77/814314877.db2.gz OFTIURDAXPZSOI-WCQYABFASA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866713 814315846 /nfs/dbraw/zinc/31/58/46/814315846.db2.gz OBHOBONSQHPLIK-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866713 814315856 /nfs/dbraw/zinc/31/58/56/814315856.db2.gz OBHOBONSQHPLIK-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869724 814317261 /nfs/dbraw/zinc/31/72/61/814317261.db2.gz KCMCXCFHBNYWOQ-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869724 814317270 /nfs/dbraw/zinc/31/72/70/814317270.db2.gz KCMCXCFHBNYWOQ-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870148 814318723 /nfs/dbraw/zinc/31/87/23/814318723.db2.gz QQJVFFQQVUNCPB-GHMZBOCLSA-N 1 3 270.377 -0.974 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870148 814318732 /nfs/dbraw/zinc/31/87/32/814318732.db2.gz QQJVFFQQVUNCPB-GHMZBOCLSA-N 1 3 270.377 -0.974 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896496 814320057 /nfs/dbraw/zinc/32/00/57/814320057.db2.gz LLCMJGKWZXMIRN-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(=O)N(C)C ZINC001133896675 814320831 /nfs/dbraw/zinc/32/08/31/814320831.db2.gz NZRBIUDGKVJNNE-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001133908052 814322364 /nfs/dbraw/zinc/32/23/64/814322364.db2.gz FRINXHMAAMUDOS-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001133965811 814331955 /nfs/dbraw/zinc/33/19/55/814331955.db2.gz KQWPKKXJGJPOAX-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134583635 814397500 /nfs/dbraw/zinc/39/75/00/814397500.db2.gz MRAFKHNWHQGKMR-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780588 814412845 /nfs/dbraw/zinc/41/28/45/814412845.db2.gz NCDJGILHPWITLK-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@H](NCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001135334203 814461779 /nfs/dbraw/zinc/46/17/79/814461779.db2.gz LLFZRODQZDWIQG-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1cnnn1C)C1CC1 ZINC001159916331 815604906 /nfs/dbraw/zinc/60/49/06/815604906.db2.gz QXVAFXYWCNMJBD-ZDUSSCGKSA-N 1 3 294.403 -0.249 20 0 CBADHO CN(CC(=O)NCCC[NH2+]Cc1cnnn1C)C1CCC1 ZINC001159997031 815605659 /nfs/dbraw/zinc/60/56/59/815605659.db2.gz BRRKHPAFMGTELW-UHFFFAOYSA-N 1 3 294.403 -0.105 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159992836 815605911 /nfs/dbraw/zinc/60/59/11/815605911.db2.gz QKVMBSGTNDIAJN-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997569 815605940 /nfs/dbraw/zinc/60/59/40/815605940.db2.gz SFFQLEQHFBNMMM-CYBMUJFWSA-N 1 3 287.404 -0.426 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997347 815606804 /nfs/dbraw/zinc/60/68/04/815606804.db2.gz MZWIEBPAHCAYIL-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001159997642 815607388 /nfs/dbraw/zinc/60/73/88/815607388.db2.gz WACQRVUZJPXWQN-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001135508082 814478844 /nfs/dbraw/zinc/47/88/44/814478844.db2.gz FSUDSHDOHJRCTL-UHFFFAOYSA-N 1 3 294.399 -0.067 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)C1CCC1 ZINC001160003503 815607907 /nfs/dbraw/zinc/60/79/07/815607907.db2.gz RPJRQGAGKPORFS-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135513044 814480709 /nfs/dbraw/zinc/48/07/09/814480709.db2.gz DQYAIYPKBPGEBV-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001135513702 814481618 /nfs/dbraw/zinc/48/16/18/814481618.db2.gz VGOVJPPRKWCVFT-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135743501 814517110 /nfs/dbraw/zinc/51/71/10/814517110.db2.gz LKTVFNNJOSHCDT-RYUDHWBXSA-N 1 3 286.420 -0.053 20 0 CBADHO C[NH+]1CCC(OCC(=O)NCCNCCF)CC1 ZINC001135958711 814541274 /nfs/dbraw/zinc/54/12/74/814541274.db2.gz DHXFRVDEODDHJJ-UHFFFAOYSA-N 1 3 261.341 -0.228 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)CN(C)C(C)C ZINC001142590348 814720338 /nfs/dbraw/zinc/72/03/38/814720338.db2.gz VCOMPFUZXXNUOK-UHFFFAOYSA-N 1 3 259.350 -0.323 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCC(=O)N1 ZINC001143134485 814759003 /nfs/dbraw/zinc/75/90/03/814759003.db2.gz MAQXGXRJJMXAEX-SECBINFHSA-N 1 3 269.349 -0.671 20 0 CBADHO CN(CC(=O)N1C[C@H]2CCCN(C)[C@H]2C1)C(N)=[NH2+] ZINC001144136932 814773351 /nfs/dbraw/zinc/77/33/51/814773351.db2.gz MRIQUGULJVDFGD-ZJUUUORDSA-N 1 3 253.350 -0.636 20 0 CBADHO CCNC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384390 814837894 /nfs/dbraw/zinc/83/78/94/814837894.db2.gz QCLFPAWWBPXOBL-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595038 814841391 /nfs/dbraw/zinc/84/13/91/814841391.db2.gz WORPSIKWQBGMCP-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001146718913 814844979 /nfs/dbraw/zinc/84/49/79/814844979.db2.gz LAQFPBPRZWEEPL-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001146718913 814844980 /nfs/dbraw/zinc/84/49/80/814844980.db2.gz LAQFPBPRZWEEPL-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC ZINC001146711868 814845009 /nfs/dbraw/zinc/84/50/09/814845009.db2.gz YEWHNAORNRFYFG-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC ZINC001146711868 814845014 /nfs/dbraw/zinc/84/50/14/814845014.db2.gz YEWHNAORNRFYFG-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCc1cnn(C)c1 ZINC001146718827 814845291 /nfs/dbraw/zinc/84/52/91/814845291.db2.gz GUKVEKDEXUFWNJ-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCc1cnn(C)c1 ZINC001146718827 814845294 /nfs/dbraw/zinc/84/52/94/814845294.db2.gz GUKVEKDEXUFWNJ-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO COc1nn(C)cc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001147024187 814868455 /nfs/dbraw/zinc/86/84/55/814868455.db2.gz JHPSXOIWAQSZCW-UHFFFAOYSA-N 1 3 268.321 -0.497 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(=O)oc1 ZINC001147595275 814902900 /nfs/dbraw/zinc/90/29/00/814902900.db2.gz KKDAHFMYDFFMOV-UHFFFAOYSA-N 1 3 252.274 -0.286 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c[nH]c(=O)cn1 ZINC001147632940 814906287 /nfs/dbraw/zinc/90/62/87/814906287.db2.gz IYVZYMAXUDQISW-UHFFFAOYSA-N 1 3 280.332 -0.553 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826282 814917405 /nfs/dbraw/zinc/91/74/05/814917405.db2.gz UVFYJOCCELDYPD-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO Cn1cc(CNCCNC(=O)COCC[NH+](C)C)cn1 ZINC001147841295 814918834 /nfs/dbraw/zinc/91/88/34/814918834.db2.gz DIEOATXVIJKIQU-UHFFFAOYSA-N 1 3 283.376 -0.796 20 0 CBADHO C[NH+](C)CCOCC(=O)NCCNCc1cccnc1 ZINC001147842288 814919227 /nfs/dbraw/zinc/91/92/27/814919227.db2.gz PXCDRWVEKYNVKI-UHFFFAOYSA-N 1 3 280.372 -0.134 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877152 814921984 /nfs/dbraw/zinc/92/19/84/814921984.db2.gz DJKQBXKYMWPUPY-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877152 814921987 /nfs/dbraw/zinc/92/19/87/814921987.db2.gz DJKQBXKYMWPUPY-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147878417 814922063 /nfs/dbraw/zinc/92/20/63/814922063.db2.gz YHENBTKZQLCHGG-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147878417 814922066 /nfs/dbraw/zinc/92/20/66/814922066.db2.gz YHENBTKZQLCHGG-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147884254 814922206 /nfs/dbraw/zinc/92/22/06/814922206.db2.gz CJTBARSMYXUARX-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147884254 814922210 /nfs/dbraw/zinc/92/22/10/814922210.db2.gz CJTBARSMYXUARX-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878109 814922964 /nfs/dbraw/zinc/92/29/64/814922964.db2.gz SACDTHULBIAPDU-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878109 814922968 /nfs/dbraw/zinc/92/29/68/814922968.db2.gz SACDTHULBIAPDU-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886368 814923779 /nfs/dbraw/zinc/92/37/79/814923779.db2.gz VKAIJXOEBOXIJZ-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886368 814923785 /nfs/dbraw/zinc/92/37/85/814923785.db2.gz VKAIJXOEBOXIJZ-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc2c(n1)CCNC2 ZINC001159750488 815593813 /nfs/dbraw/zinc/59/38/13/815593813.db2.gz LGFPXVBBDMHZRC-ZYHUDNBSSA-N 1 3 291.355 -0.315 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCC12COC2 ZINC001160542386 815635725 /nfs/dbraw/zinc/63/57/25/815635725.db2.gz VHDUYPRKIBASGD-VIFPVBQESA-N 1 3 259.375 -0.603 20 0 CBADHO COCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C1CCN(C)CC1 ZINC001160441273 815622022 /nfs/dbraw/zinc/62/20/22/815622022.db2.gz WBKRRMYCTVRFGE-CHWSQXEVSA-N 1 3 285.388 -0.864 20 0 CBADHO COCCN(C(=O)C[C@@H](O)C[NH3+])C1CCN(C)CC1 ZINC001160441037 815622397 /nfs/dbraw/zinc/62/23/97/815622397.db2.gz UDBVBHQDNJSXHE-GFCCVEGCSA-N 1 3 273.377 -0.735 20 0 CBADHO COCCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C1CCN(C)CC1 ZINC001160439824 815622765 /nfs/dbraw/zinc/62/27/65/815622765.db2.gz NTBUALFONPEXCQ-STQMWFEESA-N 1 3 285.388 -0.722 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC001160503834 815631011 /nfs/dbraw/zinc/63/10/11/815631011.db2.gz HGZPIBCNWSHIQI-NSHDSACASA-N 1 3 251.334 -0.760 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC([NH3+])CC1 ZINC001160514577 815633269 /nfs/dbraw/zinc/63/32/69/815633269.db2.gz YQDCQZZOCMGQAZ-NSHDSACASA-N 1 3 270.377 -0.574 20 0 CBADHO CN(CC1(C)COC1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160548669 815635533 /nfs/dbraw/zinc/63/55/33/815635533.db2.gz HTKYGTAMQVHHHY-VIFPVBQESA-N 1 3 261.391 -0.500 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160556741 815637236 /nfs/dbraw/zinc/63/72/36/815637236.db2.gz AUVQTCPIEQEAAM-CYBMUJFWSA-N 1 3 277.372 -0.368 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160571209 815638950 /nfs/dbraw/zinc/63/89/50/815638950.db2.gz RFJPIMUQZKPCLO-LLVKDONJSA-N 1 3 278.360 -0.809 20 0 CBADHO CC(C)[C@@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160670362 815655608 /nfs/dbraw/zinc/65/56/08/815655608.db2.gz XYWDHZNOIQEHAR-QWRGUYRKSA-N 1 3 275.418 -0.111 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CCC(=O)O2)CC1 ZINC001160576101 815640353 /nfs/dbraw/zinc/64/03/53/815640353.db2.gz PAARFDWZIBLWEM-LLVKDONJSA-N 1 3 293.367 -0.506 20 0 CBADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160583426 815641639 /nfs/dbraw/zinc/64/16/39/815641639.db2.gz XXUBGAAMNVECQT-RYUDHWBXSA-N 1 3 295.383 -0.260 20 0 CBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596180 815643030 /nfs/dbraw/zinc/64/30/30/815643030.db2.gz LFEHALXKQDRFHG-RYUDHWBXSA-N 1 3 299.371 -0.896 20 0 CBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160597110 815643933 /nfs/dbraw/zinc/64/39/33/815643933.db2.gz ZIRLNRALLWDLSC-QWRGUYRKSA-N 1 3 287.360 -0.767 20 0 CBADHO CN(CC1COC1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160644904 815650277 /nfs/dbraw/zinc/65/02/77/815650277.db2.gz IYMVOZFZBSQHHH-DGCLKSJQSA-N 1 3 253.346 -0.710 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(C)(N(C)C)C1 ZINC001160646197 815650764 /nfs/dbraw/zinc/65/07/64/815650764.db2.gz WWNIMBYZEIBPAW-JQWIXIFHSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)C1(C)CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001160644909 815651032 /nfs/dbraw/zinc/65/10/32/815651032.db2.gz JDJATWOZZYMHIQ-SDDRHHMPSA-N 1 3 267.373 -0.084 20 0 CBADHO CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160647560 815652093 /nfs/dbraw/zinc/65/20/93/815652093.db2.gz NFQOZMCNCDFSPG-MNOVXSKESA-N 1 3 253.346 -0.567 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)C[C@H]1O ZINC001160652584 815652919 /nfs/dbraw/zinc/65/29/19/815652919.db2.gz HIEJVOAMYDLUJW-ZYUZMQFOSA-N 1 3 295.305 -0.163 20 0 CBADHO COC(CN(C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)OC ZINC001160683502 815656758 /nfs/dbraw/zinc/65/67/58/815656758.db2.gz MXNPLNAGMPZYLL-ZWNOBZJWSA-N 1 3 271.361 -0.737 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](N)CCCNC(N)=O ZINC001160695099 815659327 /nfs/dbraw/zinc/65/93/27/815659327.db2.gz IIBNYCQCKMJDKQ-GHMZBOCLSA-N 1 3 285.392 -0.780 20 0 CBADHO O=C(N1CCN2CCC1CC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160725529 815665561 /nfs/dbraw/zinc/66/55/61/815665561.db2.gz BUJHPSYYMVADAC-RISCZKNCSA-N 1 3 264.373 -0.756 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]12 ZINC001160755942 815666676 /nfs/dbraw/zinc/66/66/76/815666676.db2.gz CYOVLJJNWUIVLM-FTQJZPFOSA-N 1 3 279.384 -0.321 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]12 ZINC001160757198 815668398 /nfs/dbraw/zinc/66/83/98/815668398.db2.gz ZZCVONPMQLOXLI-CHWFTXMASA-N 1 3 273.402 -0.501 20 0 CBADHO Nc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001160825859 815675302 /nfs/dbraw/zinc/67/53/02/815675302.db2.gz NMGLXIIGXIRFGV-PWSUYJOCSA-N 1 3 290.371 -0.998 20 0 CBADHO Nc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001160825859 815675307 /nfs/dbraw/zinc/67/53/07/815675307.db2.gz NMGLXIIGXIRFGV-PWSUYJOCSA-N 1 3 290.371 -0.998 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001160889335 815685641 /nfs/dbraw/zinc/68/56/41/815685641.db2.gz IVFLFZVRSBKMBR-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)N(C)C ZINC001160883828 815685759 /nfs/dbraw/zinc/68/57/59/815685759.db2.gz WBCNBYQIBJTKDE-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967015 815691307 /nfs/dbraw/zinc/69/13/07/815691307.db2.gz IJMCDPJEEFLYFT-APPZFPTMSA-N 1 3 273.287 -0.526 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965093 815691745 /nfs/dbraw/zinc/69/17/45/815691745.db2.gz SSCUKCCBJUPYKJ-OSAQELSMSA-N 1 3 291.399 -0.300 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001161081026 815709811 /nfs/dbraw/zinc/70/98/11/815709811.db2.gz CJYBHJABNMPZCX-BJDJZHNGSA-N 1 3 252.362 -0.914 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001161081418 815710136 /nfs/dbraw/zinc/71/01/36/815710136.db2.gz JOIWSQSUSRNVCF-WISYIIOYSA-N 1 3 253.346 -0.881 20 0 CBADHO COC(=O)[C@@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])[C@@H]1C ZINC001161117494 815717746 /nfs/dbraw/zinc/71/77/46/815717746.db2.gz LROHSQPDGQIOSY-GMTAPVOTSA-N 1 3 271.361 -0.147 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161131080 815718894 /nfs/dbraw/zinc/71/88/94/815718894.db2.gz NQEXJPQYALGXKC-NEPJUHHUSA-N 1 3 270.377 -0.478 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2[nH]ccc2C1 ZINC001161134698 815719131 /nfs/dbraw/zinc/71/91/31/815719131.db2.gz IZWNOXBDZRJPFQ-JTQLQIEISA-N 1 3 268.386 -0.081 20 0 CBADHO CO[C@@H](C)C1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161146118 815721899 /nfs/dbraw/zinc/72/18/99/815721899.db2.gz MRYXKKYGSPYVKD-ONGXEEELSA-N 1 3 253.346 -0.711 20 0 CBADHO CO[C@@H](C)C1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161146115 815722097 /nfs/dbraw/zinc/72/20/97/815722097.db2.gz MRYXKKYGSPYVKD-GXSJLCMTSA-N 1 3 253.346 -0.711 20 0 CBADHO CO[C@@H](C)C1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161145733 815722347 /nfs/dbraw/zinc/72/23/47/815722347.db2.gz HUKPGJQDWLXEDZ-CABZTGNLSA-N 1 3 255.362 -0.193 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(O)CC1 ZINC001161178430 815726610 /nfs/dbraw/zinc/72/66/10/815726610.db2.gz OVLLCWCECWBQLB-LBPRGKRZSA-N 1 3 267.373 -0.156 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(O)CC1 ZINC001161178430 815726614 /nfs/dbraw/zinc/72/66/14/815726614.db2.gz OVLLCWCECWBQLB-LBPRGKRZSA-N 1 3 267.373 -0.156 20 0 CBADHO CN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161219369 815728729 /nfs/dbraw/zinc/72/87/29/815728729.db2.gz PMBOTIBYJXVRBV-MNOVXSKESA-N 1 3 271.361 -0.193 20 0 CBADHO C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[C@H](C)N1 ZINC001161229786 815729685 /nfs/dbraw/zinc/72/96/85/815729685.db2.gz VYBVRNAKEYJORO-MEWQQHAOSA-N 1 3 252.362 -0.853 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001161226578 815730084 /nfs/dbraw/zinc/73/00/84/815730084.db2.gz JMOFQSWVKQAMBI-SNVBAGLBSA-N 1 3 272.393 -0.314 20 0 CBADHO C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[C@H](C)N1 ZINC001161229787 815730463 /nfs/dbraw/zinc/73/04/63/815730463.db2.gz VYBVRNAKEYJORO-MRBYEJRBSA-N 1 3 252.362 -0.853 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235257 815732164 /nfs/dbraw/zinc/73/21/64/815732164.db2.gz PBEDEIAPXXBJKZ-MNOVXSKESA-N 1 3 298.416 -0.539 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@](F)(C[NH3+])C2)C1=O ZINC001161246661 815734555 /nfs/dbraw/zinc/73/45/55/815734555.db2.gz NJLYTUAXSDOUKA-GXFFZTMASA-N 1 3 286.351 -0.775 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161270690 815737180 /nfs/dbraw/zinc/73/71/80/815737180.db2.gz QASARPLOFIHEFB-UMVBOHGHSA-N 1 3 294.399 -0.687 20 0 CBADHO Cc1ccnc(N2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)n1 ZINC001161298599 815738093 /nfs/dbraw/zinc/73/80/93/815738093.db2.gz NKMWAXUQLZTFHA-GFCCVEGCSA-N 1 3 292.387 -0.500 20 0 CBADHO CCN(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161333603 815743365 /nfs/dbraw/zinc/74/33/65/815743365.db2.gz VIPCCAQDXKXNTG-GHMZBOCLSA-N 1 3 285.392 -0.637 20 0 CBADHO CCN(C(=O)[C@@H](N)CC[S@@](C)=O)[C@H]1CCC[NH2+]C1 ZINC001161340654 815746100 /nfs/dbraw/zinc/74/61/00/815746100.db2.gz RVVRWDAXSQIRJZ-LDLUMPKVSA-N 1 3 275.418 -0.317 20 0 CBADHO CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@H]1CCC[NH2+]C1 ZINC001161339087 815746231 /nfs/dbraw/zinc/74/62/31/815746231.db2.gz IYPZMMYZKGOEKZ-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(=O)NC2(CCCC2)C1 ZINC001161417906 815754591 /nfs/dbraw/zinc/75/45/91/815754591.db2.gz YXGCTHDDLSVWOD-LLVKDONJSA-N 1 3 292.383 -0.933 20 0 CBADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001161489970 815761760 /nfs/dbraw/zinc/76/17/60/815761760.db2.gz SMZYQDBMRHYWFT-WCQYABFASA-N 1 3 265.361 -0.133 20 0 CBADHO C[C@]1(C[NH3+])CCCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001161489819 815762001 /nfs/dbraw/zinc/76/20/01/815762001.db2.gz WVWPBWKYUIUUBD-SWLSCSKDSA-N 1 3 296.415 -0.086 20 0 CBADHO NC(C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C(F)(F)F ZINC001161511093 815765060 /nfs/dbraw/zinc/76/50/60/815765060.db2.gz WJGVDWGHBQKRIJ-RITPCOANSA-N 1 3 253.224 -0.938 20 0 CBADHO CO[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001161534544 815768371 /nfs/dbraw/zinc/76/83/71/815768371.db2.gz NTHRUNCUZPRNBN-UTUOFQBUSA-N 1 3 267.373 -0.179 20 0 CBADHO O=C(c1ncn2c1CNCC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556583 815771779 /nfs/dbraw/zinc/77/17/79/815771779.db2.gz SRHKUKWABYZJSE-UHFFFAOYSA-N 1 3 261.329 -0.436 20 0 CBADHO NCc1cc(NCCN2CCC([NH3+])CC2)ncn1 ZINC001161867910 815791580 /nfs/dbraw/zinc/79/15/80/815791580.db2.gz WASNPSAURJOXIV-UHFFFAOYSA-N 1 3 250.350 -0.230 20 0 CBADHO [NH3+]C1CCN(CCNc2cc3c(nn2)CCNC3)CC1 ZINC001161871201 815792773 /nfs/dbraw/zinc/79/27/73/815792773.db2.gz WJNQTAWJCBVCDO-UHFFFAOYSA-N 1 3 276.388 -0.043 20 0 CBADHO COc1c(C2C[NH2+]C2)ncnc1-n1cnc(CN)c1 ZINC001162301758 815812292 /nfs/dbraw/zinc/81/22/92/815812292.db2.gz DQFUHASCOVJAGH-UHFFFAOYSA-N 1 3 260.301 -0.184 20 0 CBADHO O=C(NCCC[NH2+]CCF)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871999 815847169 /nfs/dbraw/zinc/84/71/69/815847169.db2.gz CNPHQNOTCIQEII-LXVYMNJGSA-N 1 3 285.363 -0.085 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)CNCC3)N1 ZINC001163235053 815866810 /nfs/dbraw/zinc/86/68/10/815866810.db2.gz AZGPGSCYIWJXHR-ZWNOBZJWSA-N 1 3 274.328 -0.888 20 0 CBADHO CNCc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncn1 ZINC001163234895 815867040 /nfs/dbraw/zinc/86/70/40/815867040.db2.gz CHTKOVVTHCIQCI-CABZTGNLSA-N 1 3 262.317 -0.814 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])Nc1cc2c(nn1)CCNC2 ZINC001163445031 815885114 /nfs/dbraw/zinc/88/51/14/815885114.db2.gz LGJKLFKDAMRDSD-LBPRGKRZSA-N 1 3 292.387 -0.222 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])Nc1cc(CN)ncn1 ZINC001163438474 815885436 /nfs/dbraw/zinc/88/54/36/815885436.db2.gz KLQQOAXSCQKVSE-JTQLQIEISA-N 1 3 266.349 -0.409 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)N(C)C ZINC001292926544 816491799 /nfs/dbraw/zinc/49/17/99/816491799.db2.gz ZJOPFIIFBKCIDC-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)N(C)C ZINC001304083537 816778811 /nfs/dbraw/zinc/77/88/11/816778811.db2.gz FLZRWXJIRLGINW-CMPLNLGQSA-N 1 3 255.362 -0.084 20 0 CBADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317290114 816959501 /nfs/dbraw/zinc/95/95/01/816959501.db2.gz ONZABFQCPICTFY-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317290114 816959502 /nfs/dbraw/zinc/95/95/02/816959502.db2.gz ONZABFQCPICTFY-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317451243 816983109 /nfs/dbraw/zinc/98/31/09/816983109.db2.gz KNJWHDOCMPQFCO-UHFFFAOYSA-N 1 3 255.362 -0.345 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001317574588 817016955 /nfs/dbraw/zinc/01/69/55/817016955.db2.gz ZCLUQMMPYBMXHH-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO C[C@H](O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273659 817093076 /nfs/dbraw/zinc/09/30/76/817093076.db2.gz UVYPXRRBXHHESL-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO COCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001320998066 817425967 /nfs/dbraw/zinc/42/59/67/817425967.db2.gz MRMJIJANQIIPID-AAOUONPWSA-N 1 3 255.362 -0.011 20 0 CBADHO COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001321190049 817457512 /nfs/dbraw/zinc/45/75/12/817457512.db2.gz SHNAITXHVAHORQ-HORCIZIBSA-N 1 3 285.388 -0.650 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C)C1 ZINC001321251097 817469050 /nfs/dbraw/zinc/46/90/50/817469050.db2.gz QPNFNXRKWQTELG-DSYXLKISSA-N 1 3 296.415 -0.322 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C)C1 ZINC001321251097 817469053 /nfs/dbraw/zinc/46/90/53/817469053.db2.gz QPNFNXRKWQTELG-DSYXLKISSA-N 1 3 296.415 -0.322 20 0 CBADHO c1nc2c(n1-c1ncc3c(n1)CCNC3)C[NH2+]CC2 ZINC001164310085 819908583 /nfs/dbraw/zinc/90/85/83/819908583.db2.gz GTRYDTJWVRPANR-UHFFFAOYSA-N 1 3 256.313 -0.046 20 0 CBADHO c1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1CNCC2 ZINC001165218122 819942506 /nfs/dbraw/zinc/94/25/06/819942506.db2.gz HVCOSCBSLFLACY-UHFFFAOYSA-N 1 3 285.355 -0.282 20 0 CBADHO c1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1CNCC2 ZINC001165219725 819942763 /nfs/dbraw/zinc/94/27/63/819942763.db2.gz VHNRAOYGDDJQRO-UHFFFAOYSA-N 1 3 285.355 -0.282 20 0 CBADHO c1nn(-c2ncc3c(n2)CCNC3)c2c1C[NH2+]CC2 ZINC001165218047 819943348 /nfs/dbraw/zinc/94/33/48/819943348.db2.gz GMWTYVSUEAPKOC-UHFFFAOYSA-N 1 3 256.313 -0.046 20 0 CBADHO NCc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ncn1 ZINC001165343495 819955680 /nfs/dbraw/zinc/95/56/80/819955680.db2.gz FYIRVRZFAYHAJV-AWEZNQCLSA-N 1 3 293.371 -0.479 20 0 CBADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CCC1 ZINC001165464694 819964696 /nfs/dbraw/zinc/96/46/96/819964696.db2.gz KMEPXGPJHJNTBF-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001165727651 819981843 /nfs/dbraw/zinc/98/18/43/819981843.db2.gz FROYMDRVTRBXNU-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001166011180 819990305 /nfs/dbraw/zinc/99/03/05/819990305.db2.gz YVLHHBYGKLGXGL-VXGBXAGGSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001166627139 820010326 /nfs/dbraw/zinc/01/03/26/820010326.db2.gz QUCWUIWDEGIGNQ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001166627137 820010357 /nfs/dbraw/zinc/01/03/57/820010357.db2.gz QUCWUIWDEGIGNQ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001166668252 820012593 /nfs/dbraw/zinc/01/25/93/820012593.db2.gz WVKIGCFPSCRDAB-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166668248 820012642 /nfs/dbraw/zinc/01/26/42/820012642.db2.gz WUYYAYAWYMBJOT-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668093 820013789 /nfs/dbraw/zinc/01/37/89/820013789.db2.gz QLSAHOUCIYLJLL-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166668153 820014036 /nfs/dbraw/zinc/01/40/36/820014036.db2.gz SSMMKBBHWYEOAS-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668361 820014833 /nfs/dbraw/zinc/01/48/33/820014833.db2.gz ZVACTFFROLMDMA-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668215 820014932 /nfs/dbraw/zinc/01/49/32/820014932.db2.gz VRWXUOBSYHZPPG-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166759310 820035407 /nfs/dbraw/zinc/03/54/07/820035407.db2.gz RANISRJIOZZIJT-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001166744294 820035826 /nfs/dbraw/zinc/03/58/26/820035826.db2.gz PAVDCXZNGHJVNQ-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC)N(C)C ZINC001166857684 820041418 /nfs/dbraw/zinc/04/14/18/820041418.db2.gz GGVBTIUBNULLHZ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166857677 820041516 /nfs/dbraw/zinc/04/15/16/820041516.db2.gz FYZIRQQHWCKZBL-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001166852583 820041551 /nfs/dbraw/zinc/04/15/51/820041551.db2.gz TVWDXMZTBKBSJK-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001166852772 820042545 /nfs/dbraw/zinc/04/25/45/820042545.db2.gz WKDPVPSMOBWFNZ-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001166857673 820042937 /nfs/dbraw/zinc/04/29/37/820042937.db2.gz FXZQNNBKYCHQOY-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232429 820075655 /nfs/dbraw/zinc/07/56/55/820075655.db2.gz CEHRPRNEUPSRMM-LBPRGKRZSA-N 1 3 296.415 -0.310 20 0 CBADHO COC(=O)c1cc(NC(=N)NCCCC[NH3+])nnc1OC ZINC001167880566 820125350 /nfs/dbraw/zinc/12/53/50/820125350.db2.gz OXMRBTAIZIMLJQ-UHFFFAOYSA-N 1 3 296.331 -0.053 20 0 CBADHO COC(=O)c1cnnc(NC(=N)NCCCC[NH3+])c1 ZINC001167879881 820125649 /nfs/dbraw/zinc/12/56/49/820125649.db2.gz QKSDTVQKNIDQEK-UHFFFAOYSA-N 1 3 266.305 -0.062 20 0 CBADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320567 820157006 /nfs/dbraw/zinc/15/70/06/820157006.db2.gz CPUMXVFBTYEPQU-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001168747326 820173156 /nfs/dbraw/zinc/17/31/56/820173156.db2.gz HSDVQQAVUNCQGL-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001168755294 820174833 /nfs/dbraw/zinc/17/48/33/820174833.db2.gz MGJQIDVOPWDEHB-UHFFFAOYSA-N 1 3 282.392 -0.247 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1ncnc2c1CN(C)CC2 ZINC001168986385 820199066 /nfs/dbraw/zinc/19/90/66/820199066.db2.gz UMRDFIASLWVBGK-UHFFFAOYSA-N 1 3 273.344 -0.145 20 0 CBADHO [NH3+][C@@H](CO)Cc1cncn1-c1ncc2c(n1)CNCC2 ZINC001169067394 820203686 /nfs/dbraw/zinc/20/36/86/820203686.db2.gz RVVXGGYPEWQXDA-SNVBAGLBSA-N 1 3 274.328 -0.830 20 0 CBADHO COC(OC)c1c(C[NH3+])ccnc1-n1nncc1CN ZINC001169307684 820226958 /nfs/dbraw/zinc/22/69/58/820226958.db2.gz AGYKOYDSLZRBBF-UHFFFAOYSA-N 1 3 278.316 -0.129 20 0 CBADHO CC(=O)N1CC[C@@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169556167 820255328 /nfs/dbraw/zinc/25/53/28/820255328.db2.gz PUOQZSLTNYHXTK-CQSZACIVSA-N 1 3 296.415 -0.297 20 0 CBADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc(C2C[NH2+]C2)n1 ZINC001170340008 820288702 /nfs/dbraw/zinc/28/87/02/820288702.db2.gz RDFFZKWTWPBRBM-UHFFFAOYSA-N 1 3 274.328 -0.136 20 0 CBADHO CN(CC[NH3+])CCNc1ccc2c(n1)OCCNC2 ZINC001170497060 820294651 /nfs/dbraw/zinc/29/46/51/820294651.db2.gz CAHWOFNOIRJRSN-UHFFFAOYSA-N 1 3 265.361 -0.134 20 0 CBADHO Cn1cc(Br)nc(N[C@H](N)CCC[NH3+])c1=O ZINC001170900737 820335794 /nfs/dbraw/zinc/33/57/94/820335794.db2.gz XTUHWBRIBUYMEA-ZETCQYMHSA-N 1 3 290.165 -0.022 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCOCCO ZINC001174683947 820415903 /nfs/dbraw/zinc/41/59/03/820415903.db2.gz WYFVWBBMMNKIDK-UHFFFAOYSA-N 1 3 284.360 -0.635 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001176974975 820484372 /nfs/dbraw/zinc/48/43/72/820484372.db2.gz FMTHNUHIYQBHFI-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176974798 820484494 /nfs/dbraw/zinc/48/44/94/820484494.db2.gz AYQCHWOSGKGXCH-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008748 820615010 /nfs/dbraw/zinc/61/50/10/820615010.db2.gz RBNSJCCMPWMOMM-VXGBXAGGSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008748 820615015 /nfs/dbraw/zinc/61/50/15/820615015.db2.gz RBNSJCCMPWMOMM-VXGBXAGGSA-N 1 3 267.373 -0.083 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303795 820623988 /nfs/dbraw/zinc/62/39/88/820623988.db2.gz NPBIBVLNRDRDQM-ZDEQEGDKSA-N 1 3 296.415 -0.206 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303794 820624391 /nfs/dbraw/zinc/62/43/91/820624391.db2.gz NPBIBVLNRDRDQM-MROQNXINSA-N 1 3 296.415 -0.206 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435175 820626751 /nfs/dbraw/zinc/62/67/51/820626751.db2.gz MKQVZGYMLAQQEX-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435234 820627098 /nfs/dbraw/zinc/62/70/98/820627098.db2.gz OIRQNURPVOGYLS-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179482052 820629421 /nfs/dbraw/zinc/62/94/21/820629421.db2.gz QDKZBUNQLXRBBT-SDDRHHMPSA-N 1 3 282.388 -0.594 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486083 820630724 /nfs/dbraw/zinc/63/07/24/820630724.db2.gz HHKSEWFHEPZYOR-WOPDTQHZSA-N 1 3 284.404 -0.348 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534382 820632176 /nfs/dbraw/zinc/63/21/76/820632176.db2.gz JWQBHCFAGGDWSF-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617478 820636278 /nfs/dbraw/zinc/63/62/78/820636278.db2.gz IIFWDYXPDIVNJP-AAEUAGOBSA-N 1 3 296.371 -0.460 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C ZINC001179856669 820643286 /nfs/dbraw/zinc/64/32/86/820643286.db2.gz GEESQMIWQZQEEB-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C ZINC001179856669 820643291 /nfs/dbraw/zinc/64/32/91/820643291.db2.gz GEESQMIWQZQEEB-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924934 820646039 /nfs/dbraw/zinc/64/60/39/820646039.db2.gz HLYOVVJFRGUPGI-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924934 820646040 /nfs/dbraw/zinc/64/60/40/820646040.db2.gz HLYOVVJFRGUPGI-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CCN(C)C(C)=O ZINC001180231565 820656465 /nfs/dbraw/zinc/65/64/65/820656465.db2.gz KAENAXILUCIFMM-UHFFFAOYSA-N 1 3 285.392 -0.081 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001180638125 820704972 /nfs/dbraw/zinc/70/49/72/820704972.db2.gz BROMPSVAIVEKBE-NSHDSACASA-N 1 3 297.403 -0.081 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653339 820806289 /nfs/dbraw/zinc/80/62/89/820806289.db2.gz YGUFRMFLEUBYDW-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181651228 820806913 /nfs/dbraw/zinc/80/69/13/820806913.db2.gz ABAIZBRPEXSNHV-CHWSQXEVSA-N 1 3 285.388 -0.720 20 0 CBADHO COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653321 820807365 /nfs/dbraw/zinc/80/73/65/820807365.db2.gz XSQAHRBLCKLGTP-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COC(=O)[C@H]1C ZINC001182091964 820868878 /nfs/dbraw/zinc/86/88/78/820868878.db2.gz IZSAXUNTXWOBGG-UWVGGRQHSA-N 1 3 284.360 -0.141 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC(=O)[C@@H]1C ZINC001182091959 820869083 /nfs/dbraw/zinc/86/90/83/820869083.db2.gz IZSAXUNTXWOBGG-NXEZZACHSA-N 1 3 284.360 -0.141 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001182676128 820936043 /nfs/dbraw/zinc/93/60/43/820936043.db2.gz BKIIVPRYCOPMOR-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001182676128 820936046 /nfs/dbraw/zinc/93/60/46/820936046.db2.gz BKIIVPRYCOPMOR-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182964596 820956246 /nfs/dbraw/zinc/95/62/46/820956246.db2.gz MIBYVVCHAQIBHC-MNOVXSKESA-N 1 3 288.367 -0.658 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229323 820982891 /nfs/dbraw/zinc/98/28/91/820982891.db2.gz IMXFTYUAPSDDNI-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)C1CC1 ZINC001183268754 820986272 /nfs/dbraw/zinc/98/62/72/820986272.db2.gz WOIJGLNRTCNAFB-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229829 821103519 /nfs/dbraw/zinc/10/35/19/821103519.db2.gz IITRTTFGRXHQDC-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185230168 821103912 /nfs/dbraw/zinc/10/39/12/821103912.db2.gz OGWXZBMCXYYVRW-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185202624 821104203 /nfs/dbraw/zinc/10/42/03/821104203.db2.gz AULJNNLEOQDTAK-WDEREUQCSA-N 1 3 293.371 -0.488 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185202622 821104462 /nfs/dbraw/zinc/10/44/62/821104462.db2.gz AULJNNLEOQDTAK-MNOVXSKESA-N 1 3 293.371 -0.488 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185348069 821125526 /nfs/dbraw/zinc/12/55/26/821125526.db2.gz NPFAHUFKRKMGBO-QWHCGFSZSA-N 1 3 298.431 -0.112 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001185416119 821128438 /nfs/dbraw/zinc/12/84/38/821128438.db2.gz NZNYATGJFHNJNE-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185408663 821128902 /nfs/dbraw/zinc/12/89/02/821128902.db2.gz VJCMKASXWQNWPJ-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)[NH+](C)C ZINC001185446893 821131052 /nfs/dbraw/zinc/13/10/52/821131052.db2.gz SYTQOMUNRXMOGR-TZMCWYRMSA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185659895 821137952 /nfs/dbraw/zinc/13/79/52/821137952.db2.gz SBIIJQIPRNXNOF-UONOGXRCSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185660186 821138145 /nfs/dbraw/zinc/13/81/45/821138145.db2.gz ZOECJNRNVMDXOL-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185660186 821138152 /nfs/dbraw/zinc/13/81/52/821138152.db2.gz ZOECJNRNVMDXOL-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185659899 821138629 /nfs/dbraw/zinc/13/86/29/821138629.db2.gz SBIIJQIPRNXNOF-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659858 821138914 /nfs/dbraw/zinc/13/89/14/821138914.db2.gz QZJIIGRAVXAQQN-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001185716406 821140180 /nfs/dbraw/zinc/14/01/80/821140180.db2.gz WRCSFPHQAGPACT-UPJWGTAASA-N 1 3 298.431 -0.006 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001186486796 821183317 /nfs/dbraw/zinc/18/33/17/821183317.db2.gz DQFQRNOAUDSQQB-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001186807609 821198196 /nfs/dbraw/zinc/19/81/96/821198196.db2.gz BGHVNEDIHGHZCO-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001186807609 821198199 /nfs/dbraw/zinc/19/81/99/821198199.db2.gz BGHVNEDIHGHZCO-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001186834888 821200344 /nfs/dbraw/zinc/20/03/44/821200344.db2.gz VOTSNEPXYFEPHN-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001186834888 821200355 /nfs/dbraw/zinc/20/03/55/821200355.db2.gz VOTSNEPXYFEPHN-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280151169 828345538 /nfs/dbraw/zinc/34/55/38/828345538.db2.gz GBOITVNLUIAELQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001280263763 828347195 /nfs/dbraw/zinc/34/71/95/828347195.db2.gz LTFBYYAKLPQQOK-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001187322667 822268329 /nfs/dbraw/zinc/26/83/29/822268329.db2.gz RBFQWTWXCCDJTA-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843167 822301651 /nfs/dbraw/zinc/30/16/51/822301651.db2.gz WEPLZTOENCNICQ-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001188158904 822323192 /nfs/dbraw/zinc/32/31/92/822323192.db2.gz ZNVNVIKSIBZTIP-GHMZBOCLSA-N 1 3 270.377 -0.609 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001283092956 828495764 /nfs/dbraw/zinc/49/57/64/828495764.db2.gz BAVNCVJPEKVSLB-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001189667106 823770506 /nfs/dbraw/zinc/77/05/06/823770506.db2.gz ATQBGHHUFLXWEZ-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001189667106 823770513 /nfs/dbraw/zinc/77/05/13/823770513.db2.gz ATQBGHHUFLXWEZ-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728483 823917887 /nfs/dbraw/zinc/91/78/87/823917887.db2.gz ZLGGOPJJKIVEHO-MGPQQGTHSA-N 1 3 299.415 -0.379 20 0 CBADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728483 823917891 /nfs/dbraw/zinc/91/78/91/823917891.db2.gz ZLGGOPJJKIVEHO-MGPQQGTHSA-N 1 3 299.415 -0.379 20 0 CBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002305 824054550 /nfs/dbraw/zinc/05/45/50/824054550.db2.gz QZCUHCFRKQQOPJ-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002305 824054552 /nfs/dbraw/zinc/05/45/52/824054552.db2.gz QZCUHCFRKQQOPJ-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO C[N@H+](CCCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036669 824057463 /nfs/dbraw/zinc/05/74/63/824057463.db2.gz BYOYSMXAJKFLSS-CYBMUJFWSA-N 1 3 269.389 -0.003 20 0 CBADHO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036669 824057466 /nfs/dbraw/zinc/05/74/66/824057466.db2.gz BYOYSMXAJKFLSS-CYBMUJFWSA-N 1 3 269.389 -0.003 20 0 CBADHO Cc1cncnc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001195368940 824114549 /nfs/dbraw/zinc/11/45/49/824114549.db2.gz KWMGUMWVMSWBCR-UHFFFAOYSA-N 1 3 250.306 -0.140 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001195702060 824128325 /nfs/dbraw/zinc/12/83/25/824128325.db2.gz WLXQEZFOCVNOEB-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821114 824134597 /nfs/dbraw/zinc/13/45/97/824134597.db2.gz DYBUUCIXCNUPCD-ZIAGYGMSSA-N 1 3 299.415 -0.474 20 0 CBADHO Cc1ncc(C(=O)N(CCCC[NH3+])C(=N)N)n1C ZINC001196078957 824147163 /nfs/dbraw/zinc/14/71/63/824147163.db2.gz RBAQSPMUJGBGMO-UHFFFAOYSA-N 1 3 252.322 -0.197 20 0 CBADHO COCCn1cc(C(=O)N(CCCC[NH3+])C(=N)N)cn1 ZINC001197482549 824193173 /nfs/dbraw/zinc/19/31/73/824193173.db2.gz PCJWKZRAIPATLL-UHFFFAOYSA-N 1 3 282.348 -0.396 20 0 CBADHO CCCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825709 824202993 /nfs/dbraw/zinc/20/29/93/824202993.db2.gz GSVHSWWNCIFTAF-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)n1cc(C(=O)N(CCCC[NH3+])C(=N)N)cnc1=O ZINC001199252040 824257470 /nfs/dbraw/zinc/25/74/70/824257470.db2.gz XVBACMYXLMDKHR-UHFFFAOYSA-N 1 3 294.359 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053093 824327023 /nfs/dbraw/zinc/32/70/23/824327023.db2.gz KQFLGJUNRCZGFJ-CQSZACIVSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483793 824333046 /nfs/dbraw/zinc/33/30/46/824333046.db2.gz OWQBKLAOJWPYBS-DGCLKSJQSA-N 1 3 296.371 -0.460 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483791 824333358 /nfs/dbraw/zinc/33/33/58/824333358.db2.gz OWQBKLAOJWPYBS-AAEUAGOBSA-N 1 3 296.371 -0.460 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667865 824350608 /nfs/dbraw/zinc/35/06/08/824350608.db2.gz OMMXTCQHYKCYMN-UHFFFAOYSA-N 1 3 293.371 -0.379 20 0 CBADHO CN1CCN(C2CC[NH+](C[C@H]3CCC(=O)N3)CC2)CC1 ZINC001202845355 824352903 /nfs/dbraw/zinc/35/29/03/824352903.db2.gz XCRIMXKPAQEINU-CYBMUJFWSA-N 1 3 280.416 -0.023 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203010053 824357286 /nfs/dbraw/zinc/35/72/86/824357286.db2.gz GCTNEKNIUNFRHM-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203010049 824357451 /nfs/dbraw/zinc/35/74/51/824357451.db2.gz GCTNEKNIUNFRHM-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206890391 824409633 /nfs/dbraw/zinc/40/96/33/824409633.db2.gz PJMHJTPTJDFPFD-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001206929150 824413038 /nfs/dbraw/zinc/41/30/38/824413038.db2.gz WKZMLKVRHHVODP-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684213 824434230 /nfs/dbraw/zinc/43/42/30/824434230.db2.gz KNUUJWUGHJMKOU-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328824 824450774 /nfs/dbraw/zinc/45/07/74/824450774.db2.gz INSHLAQJPBYQRR-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303508 824468765 /nfs/dbraw/zinc/46/87/65/824468765.db2.gz KUAFPYVXFIYZOB-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001209444239 824470867 /nfs/dbraw/zinc/47/08/67/824470867.db2.gz DZOMJNYYTIHWFQ-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484382 824471946 /nfs/dbraw/zinc/47/19/46/824471946.db2.gz HYCILFFLXMHZGC-GXTWGEPZSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454468 824472120 /nfs/dbraw/zinc/47/21/20/824472120.db2.gz LRORKHAKHAKBQW-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209838014 824476334 /nfs/dbraw/zinc/47/63/34/824476334.db2.gz VMRQAZHRUBZVAP-AAEUAGOBSA-N 1 3 296.371 -0.460 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001209838041 824476494 /nfs/dbraw/zinc/47/64/94/824476494.db2.gz VXDINSJBBUHPIH-LLVKDONJSA-N 1 3 266.345 -0.085 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210217675 824478488 /nfs/dbraw/zinc/47/84/88/824478488.db2.gz LACUKRGZPQPNGP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214335897 824528703 /nfs/dbraw/zinc/52/87/03/824528703.db2.gz METJZZCZOOZJNB-UTUOFQBUSA-N 1 3 282.388 -0.737 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952641 824537100 /nfs/dbraw/zinc/53/71/00/824537100.db2.gz FWTNFXRNTPHJJP-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cnnn1C ZINC001215456391 824541351 /nfs/dbraw/zinc/54/13/51/824541351.db2.gz TUCIRSWUNVTSPY-DGCLKSJQSA-N 1 3 294.403 -0.297 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1N[C@@H]1CCNC1=O ZINC001215461151 824541404 /nfs/dbraw/zinc/54/14/04/824541404.db2.gz UFPJHRXVBGYQBH-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001215563769 824542911 /nfs/dbraw/zinc/54/29/11/824542911.db2.gz NQZBWRUPQJRRJC-VXGBXAGGSA-N 1 3 298.431 -0.114 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571229 824543728 /nfs/dbraw/zinc/54/37/28/824543728.db2.gz FWTNFXRNTPHJJP-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754053 824548998 /nfs/dbraw/zinc/54/89/98/824548998.db2.gz FSARDYZTUGWCJB-JHJVBQTASA-N 1 3 296.415 -0.489 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754053 824549001 /nfs/dbraw/zinc/54/90/01/824549001.db2.gz FSARDYZTUGWCJB-JHJVBQTASA-N 1 3 296.415 -0.489 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218001135 824564634 /nfs/dbraw/zinc/56/46/34/824564634.db2.gz PGTRAZXXUZRSQE-SDDRHHMPSA-N 1 3 267.304 -0.270 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001218062309 824564652 /nfs/dbraw/zinc/56/46/52/824564652.db2.gz KSKJAFPUJQJRIR-OLZOCXBDSA-N 1 3 291.351 -0.449 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)cc1 ZINC001218111918 824564848 /nfs/dbraw/zinc/56/48/48/824564848.db2.gz YBUOANPWKGPXPZ-BFHYXJOUSA-N 1 3 290.367 -0.924 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@H]2C[NH2+]CCCO2)cc1 ZINC001218301286 824567569 /nfs/dbraw/zinc/56/75/69/824567569.db2.gz CGEQBWYARYGVJI-KGLIPLIRSA-N 1 3 293.367 -0.201 20 0 CBADHO Cn1cnc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c2ncnc1-2 ZINC001218494468 824569510 /nfs/dbraw/zinc/56/95/10/824569510.db2.gz HYSZJKPZESPCJF-VIFPVBQESA-N 1 3 289.343 -0.420 20 0 CBADHO Cc1cnc(C)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218496856 824570939 /nfs/dbraw/zinc/57/09/39/824570939.db2.gz PUVSNGLDCDDPAH-JTQLQIEISA-N 1 3 261.329 -0.159 20 0 CBADHO COC(=O)c1ccc(NC(=O)[C@H](N)CCC[NH3+])cn1 ZINC001218510292 824575926 /nfs/dbraw/zinc/57/59/26/824575926.db2.gz SFVFEYVLQLXWCG-SECBINFHSA-N 1 3 266.301 -0.127 20 0 CBADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH3+])n2ncnc2n1 ZINC001218528363 824584452 /nfs/dbraw/zinc/58/44/52/824584452.db2.gz SMICWFNGUDTPAH-VIFPVBQESA-N 1 3 277.332 -0.172 20 0 CBADHO CCOC(=O)c1cc[nH]c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218541262 824586828 /nfs/dbraw/zinc/58/68/28/824586828.db2.gz PVUJPSXTUQNYMG-SNVBAGLBSA-N 1 3 292.339 -0.061 20 0 CBADHO Cc1noc([N-]C(=O)[C@@H]([NH3+])CCCC[NH3+])c1C(N)=O ZINC001218551302 824588648 /nfs/dbraw/zinc/58/86/48/824588648.db2.gz LQHVYUJJKVJBFL-ZETCQYMHSA-N 1 3 269.305 -0.523 20 0 CBADHO Cc1noc(NC(=O)[C@@H](N)CCCC[NH3+])c1C(N)=O ZINC001218551302 824588653 /nfs/dbraw/zinc/58/86/53/824588653.db2.gz LQHVYUJJKVJBFL-ZETCQYMHSA-N 1 3 269.305 -0.523 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575028 824597640 /nfs/dbraw/zinc/59/76/40/824597640.db2.gz AFIDUQRWWDQBBK-JTQLQIEISA-N 1 3 294.359 -0.682 20 0 CBADHO COc1ncc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001218593772 824600618 /nfs/dbraw/zinc/60/06/18/824600618.db2.gz OFDKOYYKECTFCL-SNVBAGLBSA-N 1 3 265.317 -0.249 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@H](N)CCC[NH3+])ncn1 ZINC001218611463 824603684 /nfs/dbraw/zinc/60/36/84/824603684.db2.gz XZLVAWJROKJPFH-MRVPVSSYSA-N 1 3 266.305 -0.560 20 0 CBADHO O=C(Nc1cn[nH]c(=O)c1Cl)[C@@H]1C[NH2+]CC12CNC2 ZINC001218630425 824608404 /nfs/dbraw/zinc/60/84/04/824608404.db2.gz DGASVRGDDMHCNE-LURJTMIESA-N 1 3 283.719 -0.417 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001218641973 824612734 /nfs/dbraw/zinc/61/27/34/824612734.db2.gz LJZUZTUUDUZEBO-QHMRUWFYSA-N 1 3 296.762 -0.231 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218641135 824612926 /nfs/dbraw/zinc/61/29/26/824612926.db2.gz VBQDHVLYZZYFMX-QMMMGPOBSA-N 1 3 283.332 -0.100 20 0 CBADHO O=C(Nc1ccn2cnnc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218657214 824617358 /nfs/dbraw/zinc/61/73/58/824617358.db2.gz DYKKBOYEKCZEIM-JTQLQIEISA-N 1 3 272.312 -0.523 20 0 CBADHO COc1ncnc(NC(=O)[C@@H](N)CCC[NH3+])c1OC ZINC001218653677 824617443 /nfs/dbraw/zinc/61/74/43/824617443.db2.gz XVNNUKWXHMMHIY-ZETCQYMHSA-N 1 3 269.305 -0.502 20 0 CBADHO CCOc1cc(N)n(C(=O)[C@H](N)CCC[NH3+])c(=N)n1 ZINC001218681636 824622203 /nfs/dbraw/zinc/62/22/03/824622203.db2.gz XWERPSHSMSBBQZ-SSDOTTSWSA-N 1 3 268.321 -0.950 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218713599 824628137 /nfs/dbraw/zinc/62/81/37/824628137.db2.gz SWCYAYDOGUWGEF-BSJXLVFVSA-N 1 3 291.355 -0.013 20 0 CBADHO O=C(Nc1cn(CCF)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218743467 824631828 /nfs/dbraw/zinc/63/18/28/824631828.db2.gz UAXLJFLFPUBKRI-VIFPVBQESA-N 1 3 267.308 -0.400 20 0 CBADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n(CCF)n1 ZINC001218743779 824632624 /nfs/dbraw/zinc/63/26/24/824632624.db2.gz NRWKWEDVCJRHLK-JTQLQIEISA-N 1 3 281.335 -0.091 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751164 824633164 /nfs/dbraw/zinc/63/31/64/824633164.db2.gz CGXVWBYHGVMESE-ZETCQYMHSA-N 1 3 289.286 -0.085 20 0 CBADHO Cc1cnn(CCO)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218753516 824634179 /nfs/dbraw/zinc/63/41/79/824634179.db2.gz GYMAWJHQQLXJLW-SECBINFHSA-N 1 3 255.322 -0.811 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2cc3n(n2)CC(F)(F)CO3)C1 ZINC001218752327 824634797 /nfs/dbraw/zinc/63/47/97/824634797.db2.gz SVDLIKZCKBBRRF-RQJHMYQMSA-N 1 3 287.270 -0.462 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[n-]1 ZINC001218765457 824635459 /nfs/dbraw/zinc/63/54/59/824635459.db2.gz UBHZEWQWROADON-JTQLQIEISA-N 1 3 295.343 -0.148 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218764222 824636361 /nfs/dbraw/zinc/63/63/61/824636361.db2.gz NUNPUDWSJGIVMU-VIFPVBQESA-N 1 3 265.317 -0.554 20 0 CBADHO CCc1c(NC(=O)[C@@H](N)CCCC[NH3+])c(C(N)=O)nn1C ZINC001218787440 824637784 /nfs/dbraw/zinc/63/77/84/824637784.db2.gz BNNWXVXQLSGMNI-QMMMGPOBSA-N 1 3 296.375 -0.524 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cnn2c1OCCC2 ZINC001218794245 824640189 /nfs/dbraw/zinc/64/01/89/824640189.db2.gz OPIPUIKWHDCQIK-QMMMGPOBSA-N 1 3 253.306 -0.330 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816847 824641969 /nfs/dbraw/zinc/64/19/69/824641969.db2.gz LNYSDVNAQUNZLE-LLVKDONJSA-N 1 3 292.339 -0.187 20 0 CBADHO O=C(Nc1ccccc1CO)[C@@H]1C[NH2+]CC12CNC2 ZINC001218829541 824642669 /nfs/dbraw/zinc/64/26/69/824642669.db2.gz IQHHZKDPKLXAHT-NSHDSACASA-N 1 3 261.325 -0.074 20 0 CBADHO Nc1ccc(NC(=O)[C@H](N)CCC[NH3+])c(CCO)c1 ZINC001218919842 824648161 /nfs/dbraw/zinc/64/81/61/824648161.db2.gz SAVXRDHRAXROCN-LLVKDONJSA-N 1 3 266.345 -0.192 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219027943 824652479 /nfs/dbraw/zinc/65/24/79/824652479.db2.gz IWAZLYCCZMMDFN-VXGBXAGGSA-N 1 3 277.324 -0.313 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1[NH2+]CC[C@H]1O ZINC001219029464 824653437 /nfs/dbraw/zinc/65/34/37/824653437.db2.gz ACEQQOMBNYRSAV-YPMHNXCESA-N 1 3 277.324 -0.170 20 0 CBADHO COc1ccc(CO)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219074418 824653607 /nfs/dbraw/zinc/65/36/07/824653607.db2.gz JNWHKLMZQWWNGH-GFCCVEGCSA-N 1 3 291.351 -0.065 20 0 CBADHO NC[C@H](N)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233377 824679499 /nfs/dbraw/zinc/67/94/99/824679499.db2.gz NBQOJVNQXKTBSY-GWCFXTLKSA-N 1 3 277.372 -0.161 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219441734 824710930 /nfs/dbraw/zinc/71/09/30/824710930.db2.gz PDXQREVARGQEEL-LBPRGKRZSA-N 1 3 292.339 -0.244 20 0 CBADHO O=C(Nc1ccc2[nH]c(=O)cnc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001219437953 824710993 /nfs/dbraw/zinc/71/09/93/824710993.db2.gz GASCBEYHAVYKMC-SNVBAGLBSA-N 1 3 299.334 -0.329 20 0 CBADHO NC[C@H](N)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219538150 824724519 /nfs/dbraw/zinc/72/45/19/824724519.db2.gz VOSKIMOARDGXCY-DKCNOQQISA-N 1 3 262.313 -0.641 20 0 CBADHO C[C@H]1CCN[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593752 824739290 /nfs/dbraw/zinc/73/92/90/824739290.db2.gz HIBHUZNSGMWALP-IUCAKERBSA-N 1 3 263.363 -0.879 20 0 CBADHO Cc1cc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)no1 ZINC001219604041 824850790 /nfs/dbraw/zinc/85/07/90/824850790.db2.gz IFVNUHJQQFLJFT-NSHDSACASA-N 1 3 252.318 -0.074 20 0 CBADHO Cn1cnc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001219634528 824868978 /nfs/dbraw/zinc/86/89/78/824868978.db2.gz ZAVNOLMEONZWRD-BXUZGUMPSA-N 1 3 277.372 -0.722 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219641928 824869418 /nfs/dbraw/zinc/86/94/18/824869418.db2.gz MZJJBTTYQHWYNH-GARJFASQSA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCNC(N)=O)C1 ZINC001219641931 824870636 /nfs/dbraw/zinc/87/06/36/824870636.db2.gz MZJJBTTYQHWYNH-MXWKQRLJSA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CNCCN2C)C1 ZINC001219650096 824873082 /nfs/dbraw/zinc/87/30/82/824873082.db2.gz MCPRITZAGNTUQO-TUAOUCFPSA-N 1 3 254.378 -0.748 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219649345 824873395 /nfs/dbraw/zinc/87/33/95/824873395.db2.gz IEIWMDZWGSPLGL-DPNGTGFASA-N 1 3 275.418 -0.556 20 0 CBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@H](N)CCC[NH3+] ZINC001219673180 824876085 /nfs/dbraw/zinc/87/60/85/824876085.db2.gz FXVHVSZIRHKRMP-MRVPVSSYSA-N 1 3 283.332 -0.731 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)C[NH2+]1 ZINC001219684489 824878621 /nfs/dbraw/zinc/87/86/21/824878621.db2.gz OKNVPYVTCDYIIB-FXPVBKGRSA-N 1 3 251.334 -0.606 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@H](N)Cc2cnc[nH]2)C[NH2+]1 ZINC001219684489 824878626 /nfs/dbraw/zinc/87/86/26/824878626.db2.gz OKNVPYVTCDYIIB-FXPVBKGRSA-N 1 3 251.334 -0.606 20 0 CBADHO CCOC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219691462 824879622 /nfs/dbraw/zinc/87/96/22/824879622.db2.gz QGEBYVBYLHLBBH-ZWNOBZJWSA-N 1 3 269.345 -0.745 20 0 CBADHO CN1CCO[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219695775 824882351 /nfs/dbraw/zinc/88/23/51/824882351.db2.gz YAVXKSMSMADVPK-STQMWFEESA-N 1 3 296.415 -0.693 20 0 CBADHO Cn1cccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219699124 824883565 /nfs/dbraw/zinc/88/35/65/824883565.db2.gz SBQMOYKZSFPVOR-BXUZGUMPSA-N 1 3 262.357 -0.160 20 0 CBADHO CN[C@H](C(=O)N[C@@H]1COC[C@@H]1[NH3+])[C@@H](C)OC(C)(C)C ZINC001219719998 824886317 /nfs/dbraw/zinc/88/63/17/824886317.db2.gz CSVLCVIEIAKTDS-YTWAJWBKSA-N 1 3 273.377 -0.380 20 0 CBADHO N[C@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC(O)CC1 ZINC001219737208 824888468 /nfs/dbraw/zinc/88/84/68/824888468.db2.gz QOAJNSFXKGLSMP-TYUFSLCMSA-N 1 3 297.399 -0.641 20 0 CBADHO NC(C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C(F)(F)F ZINC001219736972 824888800 /nfs/dbraw/zinc/88/88/00/824888800.db2.gz LTNLAROABOKIHI-NKWVEPMBSA-N 1 3 267.251 -0.629 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767719 824891245 /nfs/dbraw/zinc/89/12/45/824891245.db2.gz CRNLDFCRTKPFNG-ZYHUDNBSSA-N 1 3 269.324 -0.513 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865481 824904808 /nfs/dbraw/zinc/90/48/08/824904808.db2.gz PSENJANDQHPFQI-FRRDWIJNSA-N 1 3 263.341 -0.173 20 0 CBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219882287 824908504 /nfs/dbraw/zinc/90/85/04/824908504.db2.gz AVAIKNNXXPWQHP-FMCLSXCISA-N 1 3 269.389 -0.291 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC001219916410 824913225 /nfs/dbraw/zinc/91/32/25/824913225.db2.gz VDYMZVYUZYHCQJ-SRVKXCTJSA-N 1 3 286.420 -0.069 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H](N)Cc1cncn1C ZINC001219916021 824913411 /nfs/dbraw/zinc/91/34/11/824913411.db2.gz IEGAWZUCUNLKJK-KOLCDFICSA-N 1 3 253.350 -0.644 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219917966 824914607 /nfs/dbraw/zinc/91/46/07/824914607.db2.gz ACQSEHOAXZAZRC-DGCLKSJQSA-N 1 3 281.356 -0.391 20 0 CBADHO C[NH+](C)CCCCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219918262 824914710 /nfs/dbraw/zinc/91/47/10/824914710.db2.gz IYYZRSUPXWHBOI-GFCCVEGCSA-N 1 3 284.404 -0.835 20 0 CBADHO Cc1cc(CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)[nH]n1 ZINC001219943613 824919460 /nfs/dbraw/zinc/91/94/60/824919460.db2.gz QXHNQDLHADINHF-GFCCVEGCSA-N 1 3 280.376 -0.915 20 0 CBADHO Cc1cc(CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)n[nH]1 ZINC001219943613 824919462 /nfs/dbraw/zinc/91/94/62/824919462.db2.gz QXHNQDLHADINHF-GFCCVEGCSA-N 1 3 280.376 -0.915 20 0 CBADHO Cc1nonc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219948204 824920328 /nfs/dbraw/zinc/92/03/28/824920328.db2.gz ONFCBSPGRBUGAU-JTQLQIEISA-N 1 3 279.344 -0.132 20 0 CBADHO Cc1nonc1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219948204 824920335 /nfs/dbraw/zinc/92/03/35/824920335.db2.gz ONFCBSPGRBUGAU-JTQLQIEISA-N 1 3 279.344 -0.132 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001219961128 824922809 /nfs/dbraw/zinc/92/28/09/824922809.db2.gz GAOMKSRUUXDXJN-ZDUSSCGKSA-N 1 3 290.367 -0.271 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc2nonc2c1 ZINC001219962701 824924688 /nfs/dbraw/zinc/92/46/88/824924688.db2.gz GLPYYWYMHQHAEA-SECBINFHSA-N 1 3 263.301 -0.095 20 0 CBADHO C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219970152 824925853 /nfs/dbraw/zinc/92/58/53/824925853.db2.gz VZBQKMBQKXDNEB-NEPJUHHUSA-N 1 3 297.403 -0.326 20 0 CBADHO O=C(NC[C@H]1CCCCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001219978928 824927804 /nfs/dbraw/zinc/92/78/04/824927804.db2.gz VNLHZDFBKJQBPQ-GHMZBOCLSA-N 1 3 253.346 -0.519 20 0 CBADHO CN1C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)CCC1=O ZINC001220006939 824932491 /nfs/dbraw/zinc/93/24/91/824932491.db2.gz FRIGCQRTZAOMGT-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(NC[C@H]1CCOC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220020287 824936186 /nfs/dbraw/zinc/93/61/86/824936186.db2.gz CYYFRERTGOVHJT-NQBHXWOUSA-N 1 3 253.346 -0.662 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccnn1 ZINC001220018896 824936616 /nfs/dbraw/zinc/93/66/16/824936616.db2.gz YNVRLSSPOSQEDK-VIFPVBQESA-N 1 3 255.347 -0.888 20 0 CBADHO CC(C)[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(N)=O ZINC001220022816 824936971 /nfs/dbraw/zinc/93/69/71/824936971.db2.gz MSNPBDBTTTYVGO-LERXQTSPSA-N 1 3 282.388 -0.798 20 0 CBADHO COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCC1 ZINC001220048430 824943253 /nfs/dbraw/zinc/94/32/53/824943253.db2.gz OFUBGSMOGMJBJE-BXUZGUMPSA-N 1 3 295.383 -0.213 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H](N)CCC[NH3+])CCCC1 ZINC001220048302 824943652 /nfs/dbraw/zinc/94/36/52/824943652.db2.gz NFQWUTUOOJYAOP-VIFPVBQESA-N 1 3 257.334 -0.345 20 0 CBADHO COC(=O)CCCCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220048638 824943851 /nfs/dbraw/zinc/94/38/51/824943851.db2.gz SGDOPLFYVQSQPU-SNVBAGLBSA-N 1 3 259.350 -0.098 20 0 CBADHO COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220079211 824949843 /nfs/dbraw/zinc/94/98/43/824949843.db2.gz CDPVQMVVNFAKDH-IUCAKERBSA-N 1 3 277.390 -0.537 20 0 CBADHO Cc1ncc(CO)c(CNC(=O)[C@H]([NH3+])CCC[NH3+])c1[O-] ZINC001220092847 824953840 /nfs/dbraw/zinc/95/38/40/824953840.db2.gz GINGKZXFMOBLMT-LLVKDONJSA-N 1 3 282.344 -0.730 20 0 CBADHO N=C(NC(=O)[C@@H](N)Cc1c[nH]cn1)SCC[NH3+] ZINC001220106216 824956566 /nfs/dbraw/zinc/95/65/66/824956566.db2.gz FSAGPYJPYXWHKQ-ZETCQYMHSA-N 1 3 256.335 -0.978 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113003 824957940 /nfs/dbraw/zinc/95/79/40/824957940.db2.gz HTECABZSKLZLLE-NEPJUHHUSA-N 1 3 267.329 -0.392 20 0 CBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220122583 824960349 /nfs/dbraw/zinc/96/03/49/824960349.db2.gz KXHDKDSSAWVEAH-QMMMGPOBSA-N 1 3 263.301 -0.762 20 0 CBADHO N[C@H](C(=O)NCC1(F)CCOCC1)C1CC[NH2+]CC1 ZINC001220136987 824964119 /nfs/dbraw/zinc/96/41/19/824964119.db2.gz NCPKVMQBPZLBLE-NSHDSACASA-N 1 3 273.352 -0.052 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148062 824969015 /nfs/dbraw/zinc/96/90/15/824969015.db2.gz ODONNWPZJAZBHO-VIFPVBQESA-N 1 3 270.358 -0.577 20 0 CBADHO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220150103 824969624 /nfs/dbraw/zinc/96/96/24/824969624.db2.gz QKLRLSIRFKRBEA-GMXVVIOVSA-N 1 3 267.373 -0.110 20 0 CBADHO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220150103 824969626 /nfs/dbraw/zinc/96/96/26/824969626.db2.gz QKLRLSIRFKRBEA-GMXVVIOVSA-N 1 3 267.373 -0.110 20 0 CBADHO O=C(NCc1cc[nH]c(=O)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220147924 824969903 /nfs/dbraw/zinc/96/99/03/824969903.db2.gz LBHHNZYYVOVHFP-JTQLQIEISA-N 1 3 262.313 -0.788 20 0 CBADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1nccs1 ZINC001220154805 824971518 /nfs/dbraw/zinc/97/15/18/824971518.db2.gz ZFMAKQYKHCGHBA-SSDOTTSWSA-N 1 3 265.342 -0.606 20 0 CBADHO N=C(NC(=O)[C@@H](N)CSCC[NH3+])c1nccs1 ZINC001220153959 824971580 /nfs/dbraw/zinc/97/15/80/824971580.db2.gz FVAISEQWJCQONF-LURJTMIESA-N 1 3 273.387 -0.396 20 0 CBADHO CC(C)N1CC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001220160278 824974728 /nfs/dbraw/zinc/97/47/28/824974728.db2.gz WQHLDMVBJDWHAD-NSHDSACASA-N 1 3 252.362 -0.996 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220173269 824978061 /nfs/dbraw/zinc/97/80/61/824978061.db2.gz LTNUNJHEUOBPDW-QWRGUYRKSA-N 1 3 287.360 -0.909 20 0 CBADHO Cc1ncc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001220177039 824979350 /nfs/dbraw/zinc/97/93/50/824979350.db2.gz MADMFDAUTDJZMU-TZMCWYRMSA-N 1 3 275.356 -0.400 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220187008 824982950 /nfs/dbraw/zinc/98/29/50/824982950.db2.gz XDEQRGMJMPKXQA-IUCAKERBSA-N 1 3 264.320 -0.586 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181622 824981343 /nfs/dbraw/zinc/98/13/43/824981343.db2.gz WWIXAJFEHSTREO-AVGNSLFASA-N 1 3 287.404 -0.252 20 0 CBADHO N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCNCC2(F)F)C1 ZINC001220189997 824982848 /nfs/dbraw/zinc/98/28/48/824982848.db2.gz ZQPQYDKQZVFPOL-VGMNWLOBSA-N 1 3 262.304 -0.963 20 0 CBADHO CC1(C)C[C@@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)O1 ZINC001220200887 824986162 /nfs/dbraw/zinc/98/61/62/824986162.db2.gz YHVRGPCIENLITE-WDEREUQCSA-N 1 3 255.362 -0.003 20 0 CBADHO O=C(NC[C@H]1CNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220202302 824986253 /nfs/dbraw/zinc/98/62/53/824986253.db2.gz AOKIHTGLULPSES-MNOVXSKESA-N 1 3 280.372 -0.887 20 0 CBADHO O=C(NC[C@H]1CNC(=O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220202302 824986258 /nfs/dbraw/zinc/98/62/58/824986258.db2.gz AOKIHTGLULPSES-MNOVXSKESA-N 1 3 280.372 -0.887 20 0 CBADHO CC1(C)C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)O1 ZINC001220200586 824986754 /nfs/dbraw/zinc/98/67/54/824986754.db2.gz OIGKTEAEQDJKPZ-ZJUUUORDSA-N 1 3 253.346 -0.521 20 0 CBADHO CC(C)(C)[C@H](CO)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220217010 824988018 /nfs/dbraw/zinc/98/80/18/824988018.db2.gz HWPKULQZJHXDHW-IUCAKERBSA-N 1 3 263.407 -0.471 20 0 CBADHO CC(C)(C)[C@H](CO)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220217184 824988428 /nfs/dbraw/zinc/98/84/28/824988428.db2.gz OTPOKGGTHFTAPX-QWRGUYRKSA-N 1 3 257.378 -0.164 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220254834 824998194 /nfs/dbraw/zinc/99/81/94/824998194.db2.gz ZLLVAXMDYZYIEB-LLVKDONJSA-N 1 3 284.404 -0.979 20 0 CBADHO CC1(C)OCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CO1 ZINC001220271066 825000558 /nfs/dbraw/zinc/00/05/58/825000558.db2.gz RYFJKNATZLCLJO-SNVBAGLBSA-N 1 3 269.345 -0.937 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1COC(=O)C1 ZINC001220296156 825007836 /nfs/dbraw/zinc/00/78/36/825007836.db2.gz IDWBLVUKCGJHJO-MNOVXSKESA-N 1 3 271.361 -0.086 20 0 CBADHO C[NH2+]CCC(=O)NCc1ncn2c1CNCCC2 ZINC001220311719 825011827 /nfs/dbraw/zinc/01/18/27/825011827.db2.gz PVRFUZWBQZTWHU-UHFFFAOYSA-N 1 3 251.334 -0.398 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308568 825012852 /nfs/dbraw/zinc/01/28/52/825012852.db2.gz LZYMBHOYLWKMCU-CABZTGNLSA-N 1 3 265.361 -0.076 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329148 825015279 /nfs/dbraw/zinc/01/52/79/825015279.db2.gz HEKJHVVZIJSLMO-VHSXEESVSA-N 1 3 273.402 -0.309 20 0 CBADHO Cc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n(N)c(=O)c1 ZINC001220323412 825015372 /nfs/dbraw/zinc/01/53/72/825015372.db2.gz GEPBYEQPWBVAAT-LBPRGKRZSA-N 1 3 279.344 -0.864 20 0 CBADHO COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nn1 ZINC001220343583 825020161 /nfs/dbraw/zinc/02/01/61/825020161.db2.gz TXNWHBCYBGJOSG-QMTHXVAHSA-N 1 3 291.355 -0.700 20 0 CBADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cnccn1 ZINC001220368886 825020898 /nfs/dbraw/zinc/02/08/98/825020898.db2.gz OPOQFTRAYUPVDB-VHSXEESVSA-N 1 3 261.329 -0.537 20 0 CBADHO COC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001220373655 825023228 /nfs/dbraw/zinc/02/32/28/825023228.db2.gz WOXIONQCIADEIN-LURJTMIESA-N 1 3 255.278 -0.799 20 0 CBADHO C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)CC[S@](C)=O ZINC001220385943 825026858 /nfs/dbraw/zinc/02/68/58/825026858.db2.gz DTFGQUWGBOQIDJ-YPMLDQLKSA-N 1 3 277.434 -0.071 20 0 CBADHO C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220386281 825026959 /nfs/dbraw/zinc/02/69/59/825026959.db2.gz NOBCMBGODWSXII-NSHDSACASA-N 1 3 284.404 -0.837 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001220405775 825032301 /nfs/dbraw/zinc/03/23/01/825032301.db2.gz CYQBOVZXZSJWPS-UTLUCORTSA-N 1 3 257.334 -0.490 20 0 CBADHO COC(=O)[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220406145 825032824 /nfs/dbraw/zinc/03/28/24/825032824.db2.gz LCRBCDSPIVCIMR-OZTPJHRESA-N 1 3 295.383 -0.357 20 0 CBADHO CSc1nc(NC(=O)[C@@H](N)CCCC[NH3+])cc(=O)n1C ZINC001220435573 825038143 /nfs/dbraw/zinc/03/81/43/825038143.db2.gz JOCDRYHECDSOEO-QMMMGPOBSA-N 1 3 299.400 -0.103 20 0 CBADHO N[C@H](C(=O)N[C@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447057 825038440 /nfs/dbraw/zinc/03/84/40/825038440.db2.gz BRVWHESQSSXTOL-SFYZADRCSA-N 1 3 269.267 -0.647 20 0 CBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(C)C ZINC001220462678 825044557 /nfs/dbraw/zinc/04/45/57/825044557.db2.gz KKJBVGINBDDQPT-RYUDHWBXSA-N 1 3 296.415 -0.539 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499711 825051544 /nfs/dbraw/zinc/05/15/44/825051544.db2.gz BJCZIIJJXNIXDZ-VXGBXAGGSA-N 1 3 293.371 -0.422 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](C)C[NH3+])CCNC1 ZINC001220522919 825055582 /nfs/dbraw/zinc/05/55/82/825055582.db2.gz HFVZVAOVOMKRMC-QMMMGPOBSA-N 1 3 255.318 -0.492 20 0 CBADHO C[C@@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220565636 825062887 /nfs/dbraw/zinc/06/28/87/825062887.db2.gz OPJQLNYNRCXOBY-HKUMRIAESA-N 1 3 267.373 -0.273 20 0 CBADHO C[C@H]1COCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220565637 825063599 /nfs/dbraw/zinc/06/35/99/825063599.db2.gz OPJQLNYNRCXOBY-KZVDOYCCSA-N 1 3 267.373 -0.273 20 0 CBADHO C[C@@H](NC(=O)[C@H](N)CCC[NH3+])c1ncc(F)cn1 ZINC001220598873 825074593 /nfs/dbraw/zinc/07/45/93/825074593.db2.gz GEXIQCBYOWTUSO-VXNVDRBHSA-N 1 3 255.297 -0.141 20 0 CBADHO O=C(N[C@H]1CNc2ccccc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220599257 825076084 /nfs/dbraw/zinc/07/60/84/825076084.db2.gz QXOUDVXMKFGLGH-CHWSQXEVSA-N 1 3 286.379 -0.052 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637300 825080138 /nfs/dbraw/zinc/08/01/38/825080138.db2.gz BCBNLIOPYUMRII-KGLIPLIRSA-N 1 3 299.415 -0.333 20 0 CBADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cccnc1Cl ZINC001220661132 825081695 /nfs/dbraw/zinc/08/16/95/825081695.db2.gz UAYZEIJSNJXVOZ-SECBINFHSA-N 1 3 293.758 -0.014 20 0 CBADHO CCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220681806 825084597 /nfs/dbraw/zinc/08/45/97/825084597.db2.gz QCCNTYYYYLETPQ-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220681806 825084608 /nfs/dbraw/zinc/08/46/08/825084608.db2.gz QCCNTYYYYLETPQ-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001220689253 825086938 /nfs/dbraw/zinc/08/69/38/825086938.db2.gz BTAVCYJWSKFUQS-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001220689253 825086946 /nfs/dbraw/zinc/08/69/46/825086946.db2.gz BTAVCYJWSKFUQS-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220709261 825089740 /nfs/dbraw/zinc/08/97/40/825089740.db2.gz VBXVLUBUJLRXBU-VIFPVBQESA-N 1 3 290.433 -0.573 20 0 CBADHO C[C@H]1COCCN1CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220725234 825093456 /nfs/dbraw/zinc/09/34/56/825093456.db2.gz OQPQMKFAOFXUKC-AAEUAGOBSA-N 1 3 284.404 -0.850 20 0 CBADHO C[C@@H]1COCCN1CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220725237 825094580 /nfs/dbraw/zinc/09/45/80/825094580.db2.gz OQPQMKFAOFXUKC-YPMHNXCESA-N 1 3 284.404 -0.850 20 0 CBADHO COC(CCCNC(=O)[C@H](N)C1CC[NH2+]CC1)OC ZINC001220741331 825095955 /nfs/dbraw/zinc/09/59/55/825095955.db2.gz LSSGDMDNSCCSCK-GFCCVEGCSA-N 1 3 273.377 -0.171 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220756298 825096169 /nfs/dbraw/zinc/09/61/69/825096169.db2.gz AKKSTTPYQAQCQU-JOYOIKCWSA-N 1 3 270.377 -0.798 20 0 CBADHO CC1(C)[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1O ZINC001220766053 825099856 /nfs/dbraw/zinc/09/98/56/825099856.db2.gz KXSPAIJMKFHESB-NJBDSQKTSA-N 1 3 267.373 -0.539 20 0 CBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220766968 825100234 /nfs/dbraw/zinc/10/02/34/825100234.db2.gz ZAMAKPCTPJDPCW-AXFHLTTASA-N 1 3 255.362 -0.411 20 0 CBADHO COc1ccc(CNC(=O)[C@@H](N)CCC[NH3+])c(OC)n1 ZINC001220823427 825106993 /nfs/dbraw/zinc/10/69/93/825106993.db2.gz JBBYQOUZDUWFCA-JTQLQIEISA-N 1 3 282.344 -0.219 20 0 CBADHO [NH3+]CCNCC(=O)NCCc1c[nH]c2ccncc12 ZINC001220865534 825114890 /nfs/dbraw/zinc/11/48/90/825114890.db2.gz AGPGDSSEYKQGFA-UHFFFAOYSA-N 1 3 261.329 -0.230 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001220866227 825115025 /nfs/dbraw/zinc/11/50/25/825115025.db2.gz UXUNNIAISPOXJF-SNVBAGLBSA-N 1 3 262.313 -0.069 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)NCCc1c[nH]c2ccncc12 ZINC001220866227 825115032 /nfs/dbraw/zinc/11/50/32/825115032.db2.gz UXUNNIAISPOXJF-SNVBAGLBSA-N 1 3 262.313 -0.069 20 0 CBADHO CC[C@H](COC)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220863966 825115279 /nfs/dbraw/zinc/11/52/79/825115279.db2.gz MPMJHRRNWYAHBG-NQBHXWOUSA-N 1 3 255.362 -0.273 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220881441 825118282 /nfs/dbraw/zinc/11/82/82/825118282.db2.gz KMSCZJOTOHIZEW-AEJSXWLSSA-N 1 3 257.334 -0.632 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886725 825120015 /nfs/dbraw/zinc/12/00/15/825120015.db2.gz LDIMFFPJYXJMMX-TUAOUCFPSA-N 1 3 284.404 -0.267 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903760 825122244 /nfs/dbraw/zinc/12/22/44/825122244.db2.gz ZAEPCYVWTDBIGA-JTQLQIEISA-N 1 3 288.352 -0.832 20 0 CBADHO Cc1noc(C2(NC(=O)[C@H](N)CCC[NH3+])CC2)n1 ZINC001220932048 825125994 /nfs/dbraw/zinc/12/59/94/825125994.db2.gz GDJWXWUITQPZJV-MRVPVSSYSA-N 1 3 253.306 -0.450 20 0 CBADHO O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](F)CCN1 ZINC001220935907 825126138 /nfs/dbraw/zinc/12/61/38/825126138.db2.gz ANDMUHQWRUOITG-AXFHLTTASA-N 1 3 259.325 -0.429 20 0 CBADHO NC[C@H](N)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941662 825127122 /nfs/dbraw/zinc/12/71/22/825127122.db2.gz XVLHEQQXMBVKOR-DCAQKATOSA-N 1 3 278.360 -0.635 20 0 CBADHO O=C(NCc1ncn2ccccc12)[C@H]1C[NH2+]CC12CNC2 ZINC001221008705 825135871 /nfs/dbraw/zinc/13/58/71/825135871.db2.gz YHTFOVSBSJIGNB-LLVKDONJSA-N 1 3 285.351 -0.241 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1nncs1 ZINC001221013340 825137536 /nfs/dbraw/zinc/13/75/36/825137536.db2.gz ORPXGYMPMLJDBR-ZETCQYMHSA-N 1 3 275.403 -0.784 20 0 CBADHO O=C(NCc1ccnn1CCF)[C@@H]1C[NH2+]CC12CNC2 ZINC001221106150 825145066 /nfs/dbraw/zinc/14/50/66/825145066.db2.gz NVVHPWHXRAZALW-NSHDSACASA-N 1 3 281.335 -0.722 20 0 CBADHO O=C(NCc1ccnn1CCF)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221105817 825145647 /nfs/dbraw/zinc/14/56/47/825145647.db2.gz BTVZOLFTGUSTED-BXUZGUMPSA-N 1 3 295.362 -0.332 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221158117 825148712 /nfs/dbraw/zinc/14/87/12/825148712.db2.gz UCVCGMQRSSPXTB-LBPRGKRZSA-N 1 3 293.371 -0.052 20 0 CBADHO O=C(NCc1nc2cc[nH]cc-2n1)[C@H]1C[NH2+]CC12CNC2 ZINC001221194265 825153461 /nfs/dbraw/zinc/15/34/61/825153461.db2.gz OUFMFKHJGUZZSJ-SECBINFHSA-N 1 3 286.339 -0.617 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221241085 825158267 /nfs/dbraw/zinc/15/82/67/825158267.db2.gz NIOATFLQSLAXKD-XBFCOCLRSA-N 1 3 266.389 -0.462 20 0 CBADHO N[C@H](C(=O)N[C@@H]1CCOC[C@@H]1F)C1CC[NH2+]CC1 ZINC001221244422 825160930 /nfs/dbraw/zinc/16/09/30/825160930.db2.gz ZNZJCHZRLDLRFO-AXFHLTTASA-N 1 3 259.325 -0.444 20 0 CBADHO CN1CCC[C@@](C)(NC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001221243509 825161026 /nfs/dbraw/zinc/16/10/26/825161026.db2.gz JUHSPHRUMHNWGI-CHWSQXEVSA-N 1 3 254.378 -0.332 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221253927 825162610 /nfs/dbraw/zinc/16/26/10/825162610.db2.gz BUWIPJZKSXYNRS-JQWIXIFHSA-N 1 3 265.361 -0.642 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221253927 825162615 /nfs/dbraw/zinc/16/26/15/825162615.db2.gz BUWIPJZKSXYNRS-JQWIXIFHSA-N 1 3 265.361 -0.642 20 0 CBADHO CC(C)(O)[C@H](F)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221260150 825164505 /nfs/dbraw/zinc/16/45/05/825164505.db2.gz JAAVZGTXTULXJF-NXEZZACHSA-N 1 3 261.341 -0.462 20 0 CBADHO O=C(N[C@H]1CCCNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221269557 825165564 /nfs/dbraw/zinc/16/55/64/825165564.db2.gz PZSNXKYHRZFYHB-NWDGAFQWSA-N 1 3 294.399 -0.355 20 0 CBADHO O=C(N[C@H]1CCCNC(=O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221269557 825165567 /nfs/dbraw/zinc/16/55/67/825165567.db2.gz PZSNXKYHRZFYHB-NWDGAFQWSA-N 1 3 294.399 -0.355 20 0 CBADHO N[C@H](C(=O)NCC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC001221278018 825165610 /nfs/dbraw/zinc/16/56/10/825165610.db2.gz FHPBGAFYHUWIRJ-VIFPVBQESA-N 1 3 296.293 -0.892 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221268819 825165905 /nfs/dbraw/zinc/16/59/05/825165905.db2.gz DITWGVGLPYFOPM-UWVGGRQHSA-N 1 3 256.350 -0.772 20 0 CBADHO CN[C@@H](CCCC[NH3+])C(=O)n1cc(N)c(=O)nc1N ZINC001221331308 825172371 /nfs/dbraw/zinc/17/23/71/825172371.db2.gz SPMPYVBRUQLESE-QMMMGPOBSA-N 1 3 268.321 -0.992 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H](O)CF ZINC001221335691 825173956 /nfs/dbraw/zinc/17/39/56/825173956.db2.gz AZAFXTFJSPCIKF-MNOVXSKESA-N 1 3 263.357 -0.071 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)O1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221371826 825178448 /nfs/dbraw/zinc/17/84/48/825178448.db2.gz ZCDYOJRTYRJIDG-ZJUUUORDSA-N 1 3 282.344 -0.915 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)O1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221371826 825178449 /nfs/dbraw/zinc/17/84/49/825178449.db2.gz ZCDYOJRTYRJIDG-ZJUUUORDSA-N 1 3 282.344 -0.915 20 0 CBADHO O=C(NC[C@H]1CNC(=O)O1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221371824 825178921 /nfs/dbraw/zinc/17/89/21/825178921.db2.gz ZCDYOJRTYRJIDG-UWVGGRQHSA-N 1 3 282.344 -0.915 20 0 CBADHO O=C(NC[C@H]1CNC(=O)O1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221371824 825178927 /nfs/dbraw/zinc/17/89/27/825178927.db2.gz ZCDYOJRTYRJIDG-UWVGGRQHSA-N 1 3 282.344 -0.915 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CC[NH2+]3)CC2)NC1 ZINC001221390825 825179943 /nfs/dbraw/zinc/17/99/43/825179943.db2.gz IDGSZIYXWQNTQU-ZDUSSCGKSA-N 1 3 262.357 -0.083 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)NC1 ZINC001221392843 825180019 /nfs/dbraw/zinc/18/00/19/825180019.db2.gz OAGMXNRIRDAQIH-TZMCWYRMSA-N 1 3 292.383 -0.865 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)C[C@H](O)C[NH3+])CC2)NC1 ZINC001221392599 825180212 /nfs/dbraw/zinc/18/02/12/825180212.db2.gz YEAAULNPROVYDW-LBPRGKRZSA-N 1 3 280.372 -0.736 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221399571 825182902 /nfs/dbraw/zinc/18/29/02/825182902.db2.gz RFBMZXPAYGQFSO-MJBXVCDLSA-N 1 3 275.352 -0.603 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221399536 825182964 /nfs/dbraw/zinc/18/29/64/825182964.db2.gz QJIQYBYQPAVJIK-IHRRRGAJSA-N 1 3 275.352 -0.460 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001221403767 825183751 /nfs/dbraw/zinc/18/37/51/825183751.db2.gz WXCOBWSKIBTRAO-VXGBXAGGSA-N 1 3 269.389 -0.053 20 0 CBADHO O=C1NCC[C@@]12C[N@H+](CCCCCO)CC21CNC1 ZINC001222520858 825214192 /nfs/dbraw/zinc/21/41/92/825214192.db2.gz LWGQXMYGWNGCSN-CQSZACIVSA-N 1 3 267.373 -0.440 20 0 CBADHO O=C1NCC[C@@]12C[N@@H+](CCCCCO)CC21CNC1 ZINC001222520858 825214198 /nfs/dbraw/zinc/21/41/98/825214198.db2.gz LWGQXMYGWNGCSN-CQSZACIVSA-N 1 3 267.373 -0.440 20 0 CBADHO CN1CCO[C@H](COCCN2CC[NH+](C)CC2)C1 ZINC001224549433 825242710 /nfs/dbraw/zinc/24/27/10/825242710.db2.gz NYKYWVZUOOMTTO-ZDUSSCGKSA-N 1 3 257.378 -0.419 20 0 CBADHO C[NH+](C)CCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001229007704 825326754 /nfs/dbraw/zinc/32/67/54/825326754.db2.gz BYVVLJVLTQVCGL-UHFFFAOYSA-N 1 3 294.403 -0.190 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCOCCO)CC2)C1 ZINC001230262569 825345202 /nfs/dbraw/zinc/34/52/02/825345202.db2.gz GOPPCYKTAONNLG-CYBMUJFWSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCOCCO)CC2)C1 ZINC001230262569 825345212 /nfs/dbraw/zinc/34/52/12/825345212.db2.gz GOPPCYKTAONNLG-CYBMUJFWSA-N 1 3 299.415 -0.472 20 0 CBADHO c1cc2n(c1CN1CCN[C@]3(CC[NH2+]C3)C1)CCNC2 ZINC001235052659 825484270 /nfs/dbraw/zinc/48/42/70/825484270.db2.gz GNXLGWUWABIECE-HNNXBMFYSA-N 1 3 275.400 -0.271 20 0 CBADHO CNC(=O)CO[C@H]1COC2(C1)CC[NH+](CCN)CC2 ZINC001235484082 825497703 /nfs/dbraw/zinc/49/77/03/825497703.db2.gz OHPZRSLTMAWBKH-LLVKDONJSA-N 1 3 271.361 -0.669 20 0 CBADHO CN1CCN(C[C@H]2Cn3ccnc3CN(CC[NH3+])C2)CC1 ZINC001235614149 825505901 /nfs/dbraw/zinc/50/59/01/825505901.db2.gz BFPGSAUAMORSAL-CQSZACIVSA-N 1 3 292.431 -0.479 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC1CC[NH+](C)CC1 ZINC001236051614 825521086 /nfs/dbraw/zinc/52/10/86/825521086.db2.gz GETNLQZCIIAIEK-LBPRGKRZSA-N 1 3 255.362 -0.225 20 0 CBADHO COC(=O)[C@H]1CN(Cc2nc3c(s2)CNCC3)C[C@H]1[NH3+] ZINC001236349303 825529760 /nfs/dbraw/zinc/52/97/60/825529760.db2.gz GKHXJIMOUQRZNG-DTWKUNHWSA-N 1 3 296.396 -0.279 20 0 CBADHO NCCS(=O)(=O)Nc1ccc2c(c1)C[C@H]([NH3+])C2 ZINC001237741179 825541964 /nfs/dbraw/zinc/54/19/64/825541964.db2.gz GHMZXCCCTDYQNF-SNVBAGLBSA-N 1 3 255.343 -0.187 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCNC[C@H]1F ZINC001238500740 825554739 /nfs/dbraw/zinc/55/47/39/825554739.db2.gz QCUHFZMRKFWLGI-NWDGAFQWSA-N 1 3 293.408 -0.147 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCNC[C@@H]1F ZINC001238500741 825554825 /nfs/dbraw/zinc/55/48/25/825554825.db2.gz QCUHFZMRKFWLGI-RYUDHWBXSA-N 1 3 293.408 -0.147 20 0 CBADHO NCCS(=O)(=O)NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001238814865 825565277 /nfs/dbraw/zinc/56/52/77/825565277.db2.gz XIQTWMHRIPYTNC-UHFFFAOYSA-N 1 3 298.412 -0.376 20 0 CBADHO N[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1F ZINC001238920762 825572396 /nfs/dbraw/zinc/57/23/96/825572396.db2.gz BIIINVKVXMSRHF-ZJUUUORDSA-N 1 3 265.354 -0.703 20 0 CBADHO NCCS(=O)(=O)N1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001239014212 825582033 /nfs/dbraw/zinc/58/20/33/825582033.db2.gz FAZFHAXCAHTJQU-ZDUSSCGKSA-N 1 3 295.408 -0.036 20 0 CBADHO NCCS(=O)(=O)N1CC(F)(F)CC12CC[NH2+]CC2 ZINC001239041586 825583728 /nfs/dbraw/zinc/58/37/28/825583728.db2.gz NEOGTNJHDCJGHL-UHFFFAOYSA-N 1 3 283.344 -0.262 20 0 CBADHO NCCS(=O)(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001239073426 825585044 /nfs/dbraw/zinc/58/50/44/825585044.db2.gz MZEIUKSFQVVMCV-RKDXNWHRSA-N 1 3 265.354 -0.716 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001239073267 825585056 /nfs/dbraw/zinc/58/50/56/825585056.db2.gz LCCPJBBHMIXVMS-NWDGAFQWSA-N 1 3 275.418 -0.014 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2CC[C@H]1CN2 ZINC001239141299 825595855 /nfs/dbraw/zinc/59/58/55/825595855.db2.gz AKGSKOGIMIPRAU-RYUDHWBXSA-N 1 3 273.402 -0.248 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)CN1CCOCC1 ZINC001245981505 825615764 /nfs/dbraw/zinc/61/57/64/825615764.db2.gz HNFYVOHLFTVLRU-MJBXVCDLSA-N 1 3 271.405 -0.343 20 0 CBADHO CCOC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245971777 825615815 /nfs/dbraw/zinc/61/58/15/825615815.db2.gz HERPYZRXVHQPTK-OUAUKWLOSA-N 1 3 250.314 -0.964 20 0 CBADHO CCCOC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245978095 825616525 /nfs/dbraw/zinc/61/65/25/825616525.db2.gz ZBYVHWHTCNXWMY-SDDRHHMPSA-N 1 3 264.341 -0.574 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@@H](O)CN2CCOCC2)C1 ZINC001245992437 825619341 /nfs/dbraw/zinc/61/93/41/825619341.db2.gz LXLDDAYVHUWAIW-BFHYXJOUSA-N 1 3 271.405 -0.485 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@H](O)CN2CCOCC2)C1 ZINC001245992439 825619927 /nfs/dbraw/zinc/61/99/27/825619927.db2.gz LXLDDAYVHUWAIW-IHRRRGAJSA-N 1 3 271.405 -0.485 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001246006064 825620355 /nfs/dbraw/zinc/62/03/55/825620355.db2.gz GVIWBNZRSYQENK-JSGCOSHPSA-N 1 3 295.383 -0.001 20 0 CBADHO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246010120 825621074 /nfs/dbraw/zinc/62/10/74/825621074.db2.gz XLNCJCSIYIAASA-UWVGGRQHSA-N 1 3 289.376 -0.739 20 0 CBADHO [NH3+][C@@H]1CCCN(C[C@H](O)CN2CCOCC2)CC1 ZINC001246018969 825622195 /nfs/dbraw/zinc/62/21/95/825622195.db2.gz ZYFZUFLXSRCNFP-OLZOCXBDSA-N 1 3 257.378 -0.507 20 0 CBADHO [NH3+][C@@H]1CCCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC001246018966 825622266 /nfs/dbraw/zinc/62/22/66/825622266.db2.gz ZYFZUFLXSRCNFP-CHWSQXEVSA-N 1 3 257.378 -0.507 20 0 CBADHO CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082931 825633340 /nfs/dbraw/zinc/63/33/40/825633340.db2.gz ZKYROZDRKRWEMS-GUTXKFCHSA-N 1 3 298.431 -0.447 20 0 CBADHO C[C@@H]1CC[C@@H](NCCC(=O)N2CCNCC2)C[NH2+]1 ZINC001246107207 825636470 /nfs/dbraw/zinc/63/64/70/825636470.db2.gz GTLNXINTYJWILF-VXGBXAGGSA-N 1 3 254.378 -0.462 20 0 CBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCCN2CC[NH2+]CC2)CN1 ZINC001246121400 825637602 /nfs/dbraw/zinc/63/76/02/825637602.db2.gz ZAWVSNIZOUBXRT-OLZOCXBDSA-N 1 3 298.431 -0.447 20 0 CBADHO C(N[C@H]1CCC[NH2+]C1)c1nnn2c1CNCCC2 ZINC001246128813 825637771 /nfs/dbraw/zinc/63/77/71/825637771.db2.gz FKIUTXOABODYQV-JTQLQIEISA-N 1 3 250.350 -0.387 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CN1 ZINC001246144088 825640544 /nfs/dbraw/zinc/64/05/44/825640544.db2.gz BFSIFGPXVONBRR-KZZRWZIVSA-N 1 3 253.346 -0.523 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145312 825641518 /nfs/dbraw/zinc/64/15/18/825641518.db2.gz MEDWIQIJWSWXFW-UPJWGTAASA-N 1 3 296.415 -0.646 20 0 CBADHO COC(=O)[C@@H](N)Cc1cncn1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246153527 825642678 /nfs/dbraw/zinc/64/26/78/825642678.db2.gz RZQYJICSXOWYPL-JQWIXIFHSA-N 1 3 293.371 -0.808 20 0 CBADHO O=c1[nH][n-]cc1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173256 825644342 /nfs/dbraw/zinc/64/43/42/825644342.db2.gz KRMUGLRAPMBNNA-WDEREUQCSA-N 1 3 265.361 -0.818 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]C2)CN1 ZINC001246197988 825649343 /nfs/dbraw/zinc/64/93/43/825649343.db2.gz NBCKNYBSHRMWTO-SRVKXCTJSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)CN1 ZINC001246209396 825650475 /nfs/dbraw/zinc/65/04/75/825650475.db2.gz HSVUMCDMRIXNOO-KXNHARMFSA-N 1 3 255.362 -0.132 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)CN1 ZINC001246209412 825650642 /nfs/dbraw/zinc/65/06/42/825650642.db2.gz HSVUMCDMRIXNOO-YFKTTZPYSA-N 1 3 255.362 -0.132 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246216473 825651922 /nfs/dbraw/zinc/65/19/22/825651922.db2.gz APRCPVXOIHCBKZ-RISCZKNCSA-N 1 3 296.415 -0.694 20 0 CBADHO CN1CCN(C(=O)CCNC2CC[NH2+]CC2)CC1 ZINC001246256885 825656618 /nfs/dbraw/zinc/65/66/18/825656618.db2.gz RLQBRXSVKUVAAB-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO OC[C@@H]1CNC[C@@H]1[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246302335 825661840 /nfs/dbraw/zinc/66/18/40/825661840.db2.gz DANOGJLWONNVQH-BJDJZHNGSA-N 1 3 266.349 -0.673 20 0 CBADHO OC[C@@H]1CNC[C@@H]1[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246302336 825661915 /nfs/dbraw/zinc/66/19/15/825661915.db2.gz DANOGJLWONNVQH-QCNOEVLYSA-N 1 3 266.349 -0.673 20 0 CBADHO OC[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306962 825663088 /nfs/dbraw/zinc/66/30/88/825663088.db2.gz CIZDTXPXSJXPJM-DGCLKSJQSA-N 1 3 262.357 -0.201 20 0 CBADHO C[C@H]1C[C@@H](NCCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335727 825665225 /nfs/dbraw/zinc/66/52/25/825665225.db2.gz LOIFWJYGPUOOSN-STQMWFEESA-N 1 3 289.445 -0.163 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CCN1 ZINC001246335727 825665231 /nfs/dbraw/zinc/66/52/31/825665231.db2.gz LOIFWJYGPUOOSN-STQMWFEESA-N 1 3 289.445 -0.163 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246420734 825672467 /nfs/dbraw/zinc/67/24/67/825672467.db2.gz ZWLWRMZUPMQYJA-SRVKXCTJSA-N 1 3 282.388 -0.288 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246420735 825673029 /nfs/dbraw/zinc/67/30/29/825673029.db2.gz ZWLWRMZUPMQYJA-TUAOUCFPSA-N 1 3 282.388 -0.288 20 0 CBADHO c1cnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246531521 825681220 /nfs/dbraw/zinc/68/12/20/825681220.db2.gz ULHNCWZXZXAJNL-CYBMUJFWSA-N 1 3 288.399 -0.307 20 0 CBADHO OC[C@@H]1C[C@H](F)CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553472 825685055 /nfs/dbraw/zinc/68/50/55/825685055.db2.gz YFTYRRPJQOGTNS-GRYCIOLGSA-N 1 3 257.353 -0.267 20 0 CBADHO CCOC(=O)CN1CCC(N2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246561520 825686057 /nfs/dbraw/zinc/68/60/57/825686057.db2.gz UZOXJRHNMFKXRZ-CHWSQXEVSA-N 1 3 285.388 -0.592 20 0 CBADHO [NH3+]C[C@H]1CN([C@@H]2CCN(C3CC3)C(=O)C2)C[C@@H]1O ZINC001246578978 825689251 /nfs/dbraw/zinc/68/92/51/825689251.db2.gz DJGUMKBAACKLMI-WCQGTBRESA-N 1 3 253.346 -0.609 20 0 CBADHO [NH3+]C[C@H]1CN(C2CCN(c3ncccn3)CC2)C[C@H]1O ZINC001246582950 825690106 /nfs/dbraw/zinc/69/01/06/825690106.db2.gz HQUJHBGGOIMNBY-WCQYABFASA-N 1 3 277.372 -0.303 20 0 CBADHO C1C[NH2+]C[C@H](N2CCOC[C@@]3(CNCCO3)C2)C1 ZINC001246603043 825694278 /nfs/dbraw/zinc/69/42/78/825694278.db2.gz LYMGSETVTBUSTE-CHWSQXEVSA-N 1 3 255.362 -0.571 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246599685 825694289 /nfs/dbraw/zinc/69/42/89/825694289.db2.gz DGTUOWMAKOPTCP-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246631398 825697825 /nfs/dbraw/zinc/69/78/25/825697825.db2.gz SJMCFDQSTSEISG-ZDEQEGDKSA-N 1 3 267.373 -0.036 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)CN1 ZINC001246631398 825697827 /nfs/dbraw/zinc/69/78/27/825697827.db2.gz SJMCFDQSTSEISG-ZDEQEGDKSA-N 1 3 267.373 -0.036 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CNCC[C@H]32)CN1 ZINC001246631398 825697832 /nfs/dbraw/zinc/69/78/32/825697832.db2.gz SJMCFDQSTSEISG-ZDEQEGDKSA-N 1 3 267.373 -0.036 20 0 CBADHO COCc1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNC2 ZINC001246712150 825707372 /nfs/dbraw/zinc/70/73/72/825707372.db2.gz FEXZFKFTCDGMCB-JTQLQIEISA-N 1 3 277.372 -0.101 20 0 CBADHO C([C@H]1CCCO1)N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778670 825710382 /nfs/dbraw/zinc/71/03/82/825710382.db2.gz WPTVDTJGYDYYJJ-HUUCEWRRSA-N 1 3 294.443 -0.123 20 0 CBADHO COC(=O)CC1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799283 825713236 /nfs/dbraw/zinc/71/32/36/825713236.db2.gz XQLKXIYHJZFTGN-LLVKDONJSA-N 1 3 253.346 -0.425 20 0 CBADHO c1cnnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246811674 825715060 /nfs/dbraw/zinc/71/50/60/825715060.db2.gz GNIZHVHKKUAPEG-ZDUSSCGKSA-N 1 3 288.399 -0.307 20 0 CBADHO CN(C)CCN1CCN([C@H]2CCC[NH2+]C2)CCC1=O ZINC001246838992 825719241 /nfs/dbraw/zinc/71/92/41/825719241.db2.gz GRAVRIDNVUCKPC-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO FCCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246828824 825719457 /nfs/dbraw/zinc/71/94/57/825719457.db2.gz DJFCPAZRJVCENI-LBPRGKRZSA-N 1 3 256.369 -0.333 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246856489 825722879 /nfs/dbraw/zinc/72/28/79/825722879.db2.gz BJRJZFOMOSDWMY-USZNOCQGSA-N 1 3 255.362 -0.038 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001246857142 825723013 /nfs/dbraw/zinc/72/30/13/825723013.db2.gz KWJDFLWZLCFPKM-OLZOCXBDSA-N 1 3 267.373 -0.083 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246857282 825723103 /nfs/dbraw/zinc/72/31/03/825723103.db2.gz OEAFTKCWNWBJRD-UWVGGRQHSA-N 1 3 271.386 -0.719 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC2CC[NH+](CC2)C1 ZINC001246857143 825723128 /nfs/dbraw/zinc/72/31/28/825723128.db2.gz KWJDFLWZLCFPKM-STQMWFEESA-N 1 3 267.373 -0.083 20 0 CBADHO CC(=O)N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246860682 825724516 /nfs/dbraw/zinc/72/45/16/825724516.db2.gz WRCHCXLEHTZAGB-AAEUAGOBSA-N 1 3 266.389 -0.367 20 0 CBADHO O=C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC2(CCCC2)N1 ZINC001246998253 825740823 /nfs/dbraw/zinc/74/08/23/825740823.db2.gz YGEVILMGTHTLEN-GFCCVEGCSA-N 1 3 278.400 -0.175 20 0 CBADHO O=C1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC2(CCCC2)N1 ZINC001246998255 825741312 /nfs/dbraw/zinc/74/13/12/825741312.db2.gz YGEVILMGTHTLEN-LBPRGKRZSA-N 1 3 278.400 -0.175 20 0 CBADHO [NH3+]C[C@@H](O)Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247500541 825742078 /nfs/dbraw/zinc/74/20/78/825742078.db2.gz PJVXTDVICMZLDX-VIFPVBQESA-N 1 3 275.312 -0.361 20 0 CBADHO CN1CCC(CO)(NC(=S)NCC[NH+](C)C)CC1 ZINC001249852992 825750840 /nfs/dbraw/zinc/75/08/40/825750840.db2.gz CRSBCCCDPIZWGM-UHFFFAOYSA-N 1 3 274.434 -0.531 20 0 CBADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](O)CN1CCOCC1)C2 ZINC001251035840 825768365 /nfs/dbraw/zinc/76/83/65/825768365.db2.gz PKKVMDMJUCIHFQ-LXTVHRRPSA-N 1 3 283.416 -0.106 20 0 CBADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](O)CN1CCOCC1)C2 ZINC001251035840 825768369 /nfs/dbraw/zinc/76/83/69/825768369.db2.gz PKKVMDMJUCIHFQ-LXTVHRRPSA-N 1 3 283.416 -0.106 20 0 CBADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C2 ZINC001251035840 825768374 /nfs/dbraw/zinc/76/83/74/825768374.db2.gz PKKVMDMJUCIHFQ-LXTVHRRPSA-N 1 3 283.416 -0.106 20 0 CBADHO CCOC[C@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252043420 825814696 /nfs/dbraw/zinc/81/46/96/825814696.db2.gz FQBNIUWDUWZSKZ-CYBMUJFWSA-N 1 3 259.394 -0.389 20 0 CBADHO C[NH+]1CCC(CN2CCN(C[C@H](O)CO)CC2)CC1 ZINC001252061997 825823945 /nfs/dbraw/zinc/82/39/45/825823945.db2.gz CDCMMXIWTAPMTP-AWEZNQCLSA-N 1 3 271.405 -0.701 20 0 CBADHO OC1(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC001252944580 825895137 /nfs/dbraw/zinc/89/51/37/825895137.db2.gz SDHJDFKPYWZETJ-HNNXBMFYSA-N 1 3 292.379 -0.026 20 0 CBADHO OC1(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC001252944580 825895140 /nfs/dbraw/zinc/89/51/40/825895140.db2.gz SDHJDFKPYWZETJ-HNNXBMFYSA-N 1 3 292.379 -0.026 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCOC[C@H]1C(=O)OC ZINC001253212821 825907186 /nfs/dbraw/zinc/90/71/86/825907186.db2.gz ISGXOYREPYQZKK-XQQFMLRXSA-N 1 3 288.388 -0.143 20 0 CBADHO CN1C[C@@H](CNC[C@H](O)C[NH2+]C(C)(C)C)CC1=O ZINC001253405239 825913715 /nfs/dbraw/zinc/91/37/15/825913715.db2.gz SMDGAZSAYNWKBC-MNOVXSKESA-N 1 3 257.378 -0.197 20 0 CBADHO CN1C[C@@H](C[NH2+]C[C@H](O)CNC(C)(C)C)CC1=O ZINC001253405239 825913724 /nfs/dbraw/zinc/91/37/24/825913724.db2.gz SMDGAZSAYNWKBC-MNOVXSKESA-N 1 3 257.378 -0.197 20 0 CBADHO CN(C)CCCN(CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001254321449 825950685 /nfs/dbraw/zinc/95/06/85/825950685.db2.gz YCYCCILHMJYHKY-LBPRGKRZSA-N 1 3 277.434 -0.224 20 0 CBADHO C[N@@H+]1CCC[C@@H](N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504051 825964487 /nfs/dbraw/zinc/96/44/87/825964487.db2.gz RTEOBOIVHVONFN-VEGXAWMVSA-N 1 3 258.362 -0.837 20 0 CBADHO C[N@H+]1CCC[C@@H](N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504051 825964495 /nfs/dbraw/zinc/96/44/95/825964495.db2.gz RTEOBOIVHVONFN-VEGXAWMVSA-N 1 3 258.362 -0.837 20 0 CBADHO C[N@@H+]1CCC[C@H](NCCN2CCS(=O)(=O)CC2)CC1 ZINC001254508671 825965443 /nfs/dbraw/zinc/96/54/43/825965443.db2.gz KXGBBACELWWORI-ZDUSSCGKSA-N 1 3 289.445 -0.209 20 0 CBADHO C[N@H+]1CCC[C@H](NCCN2CCS(=O)(=O)CC2)CC1 ZINC001254508671 825965446 /nfs/dbraw/zinc/96/54/46/825965446.db2.gz KXGBBACELWWORI-ZDUSSCGKSA-N 1 3 289.445 -0.209 20 0 CBADHO CN1CCC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001254508671 825965451 /nfs/dbraw/zinc/96/54/51/825965451.db2.gz KXGBBACELWWORI-ZDUSSCGKSA-N 1 3 289.445 -0.209 20 0 CBADHO CN1CCC[C@@H](N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001254526192 825966089 /nfs/dbraw/zinc/96/60/89/825966089.db2.gz PMWSLBYGDMHPBD-SNVBAGLBSA-N 1 3 261.391 -0.296 20 0 CBADHO CN1CCC([NH2+]CCCN(CCO)CCO)CC1 ZINC001256195061 826004191 /nfs/dbraw/zinc/00/41/91/826004191.db2.gz YMJSYRVPRMRIAS-UHFFFAOYSA-N 1 3 259.394 -0.653 20 0 CBADHO C[C@@H](CC(=O)N1CCOCC1)N1CCN(CC[NH3+])CC1 ZINC001256321922 826010095 /nfs/dbraw/zinc/01/00/95/826010095.db2.gz TXTOJBKNFCGSTB-ZDUSSCGKSA-N 1 3 284.404 -0.800 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001261474710 826520187 /nfs/dbraw/zinc/52/01/87/826520187.db2.gz IQGGLBDLWDGWHH-ZJUUUORDSA-N 1 3 261.391 -0.357 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001262005518 826617575 /nfs/dbraw/zinc/61/75/75/826617575.db2.gz DUOHDXMEWGYRBU-SECBINFHSA-N 1 3 251.334 -0.392 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001262008119 826618269 /nfs/dbraw/zinc/61/82/69/826618269.db2.gz BCMMPPIGSQTOMO-ZJUUUORDSA-N 1 3 251.334 -0.122 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)CCOC)CC1 ZINC001262035183 826626747 /nfs/dbraw/zinc/62/67/47/826626747.db2.gz BAIHXQJDICFXRT-ZDUSSCGKSA-N 1 3 287.404 -0.033 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262038988 826627584 /nfs/dbraw/zinc/62/75/84/826627584.db2.gz DYKWUDFUACJAPE-FIQHERPVSA-N 1 3 268.405 -0.232 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001263096556 826736741 /nfs/dbraw/zinc/73/67/41/826736741.db2.gz VMKFIKIPELDEFE-VHSXEESVSA-N 1 3 257.334 -0.665 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001263096556 826736745 /nfs/dbraw/zinc/73/67/45/826736745.db2.gz VMKFIKIPELDEFE-VHSXEESVSA-N 1 3 257.334 -0.665 20 0 CBADHO CC[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCC[NH2+]1 ZINC001263155777 826744662 /nfs/dbraw/zinc/74/46/62/826744662.db2.gz FPAZNKYUMWIORF-MFKMUULPSA-N 1 3 253.346 -0.234 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001263156160 826745291 /nfs/dbraw/zinc/74/52/91/826745291.db2.gz OBUATKDOHNDHHO-IVZWLZJFSA-N 1 3 253.346 -0.393 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001263156355 826745304 /nfs/dbraw/zinc/74/53/04/826745304.db2.gz UJTBEAFVKCEWKG-CWSCBRNRSA-N 1 3 251.330 -0.767 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156025 826745414 /nfs/dbraw/zinc/74/54/14/826745414.db2.gz LCBFTPXZYACCNI-VLEAKVRGSA-N 1 3 251.330 -0.911 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001263166591 826747882 /nfs/dbraw/zinc/74/78/82/826747882.db2.gz LRGFKOYINAIVMV-NSHDSACASA-N 1 3 295.387 -0.015 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001265849395 826929034 /nfs/dbraw/zinc/92/90/34/826929034.db2.gz WOFMXJFWYLUFKW-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001265849395 826929033 /nfs/dbraw/zinc/92/90/33/826929033.db2.gz WOFMXJFWYLUFKW-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265941740 826940395 /nfs/dbraw/zinc/94/03/95/826940395.db2.gz IKXQXHYJPPFPOQ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266275332 826970970 /nfs/dbraw/zinc/97/09/70/826970970.db2.gz VSNFEIVQPNKLAC-QJPTWQEYSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266275332 826970973 /nfs/dbraw/zinc/97/09/73/826970973.db2.gz VSNFEIVQPNKLAC-QJPTWQEYSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266275170 826968949 /nfs/dbraw/zinc/96/89/49/826968949.db2.gz PIFMHBHKZLBOEH-YPMHNXCESA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H](O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339655 826985604 /nfs/dbraw/zinc/98/56/04/826985604.db2.gz VDRNWOAAGZRYBJ-NWDGAFQWSA-N 1 3 269.389 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)CC[NH+](C)C ZINC001266827201 827072262 /nfs/dbraw/zinc/07/22/62/827072262.db2.gz NZPYCNGNKCWNGT-SNVBAGLBSA-N 1 3 258.366 -0.879 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072426 827112452 /nfs/dbraw/zinc/11/24/52/827112452.db2.gz ZRRCUSCRSWCSSD-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072426 827112459 /nfs/dbraw/zinc/11/24/59/827112459.db2.gz ZRRCUSCRSWCSSD-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267225941 827134213 /nfs/dbraw/zinc/13/42/13/827134213.db2.gz IOHNYXQMYTXBMB-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267225941 827134218 /nfs/dbraw/zinc/13/42/18/827134218.db2.gz IOHNYXQMYTXBMB-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001267354878 827156292 /nfs/dbraw/zinc/15/62/92/827156292.db2.gz AUPBPBQMJPMRQM-WDEREUQCSA-N 1 3 268.361 -0.983 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001267424496 827169609 /nfs/dbraw/zinc/16/96/09/827169609.db2.gz RKLKBBHPQOUQQF-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001267451557 827172764 /nfs/dbraw/zinc/17/27/64/827172764.db2.gz IHKGMSHRMXRIIU-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001267451557 827172765 /nfs/dbraw/zinc/17/27/65/827172765.db2.gz IHKGMSHRMXRIIU-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267455967 827173537 /nfs/dbraw/zinc/17/35/37/827173537.db2.gz INLBOBUBFRSITL-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267455967 827173545 /nfs/dbraw/zinc/17/35/45/827173545.db2.gz INLBOBUBFRSITL-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](C[NH2+]CCCO)N(C)C(=O)Cc1c[nH]cn1 ZINC001268084840 827255413 /nfs/dbraw/zinc/25/54/13/827255413.db2.gz KHTBHMRVBUHYEZ-JTQLQIEISA-N 1 3 254.334 -0.229 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCCF)[NH+](C)C ZINC001268320742 827298861 /nfs/dbraw/zinc/29/88/61/827298861.db2.gz BOHVCUIYKHLMEX-GHMZBOCLSA-N 1 3 263.357 -0.391 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562470 827365594 /nfs/dbraw/zinc/36/55/94/827365594.db2.gz HMTPUKMYPZSXJM-QAVQXKDTSA-N 1 3 294.399 -0.249 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581737 827370526 /nfs/dbraw/zinc/37/05/26/827370526.db2.gz JZUUBVFVYUHRBN-SGUJLRQBSA-N 1 3 282.388 -0.536 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001268670780 827398620 /nfs/dbraw/zinc/39/86/20/827398620.db2.gz JFNYTNOQIWXYLC-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CN(CCCNCc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945664 827443133 /nfs/dbraw/zinc/44/31/33/827443133.db2.gz GRNAZDZXNXAXFH-LBPRGKRZSA-N 1 3 294.403 -0.295 20 0 CBADHO CN(CCCNCc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945664 827443138 /nfs/dbraw/zinc/44/31/38/827443138.db2.gz GRNAZDZXNXAXFH-LBPRGKRZSA-N 1 3 294.403 -0.295 20 0 CBADHO CN1CCC(O)(C(=O)N2CCC3(C[NH+](C)C3)CC2)CC1 ZINC001271802387 827726915 /nfs/dbraw/zinc/72/69/15/827726915.db2.gz VZFIWWYPNUGNFF-UHFFFAOYSA-N 1 3 281.400 -0.003 20 0 CBADHO CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271996210 827748229 /nfs/dbraw/zinc/74/82/29/827748229.db2.gz JOBQJUVZWZOJBS-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271996210 827748235 /nfs/dbraw/zinc/74/82/35/827748235.db2.gz JOBQJUVZWZOJBS-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCCF)CC[N@@H+]1C ZINC001272413590 827794246 /nfs/dbraw/zinc/79/42/46/827794246.db2.gz FBSKDTAOMWYBFP-OUAUKWLOSA-N 1 3 261.341 -0.637 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCCF)CC[N@H+]1C ZINC001272413590 827794254 /nfs/dbraw/zinc/79/42/54/827794254.db2.gz FBSKDTAOMWYBFP-OUAUKWLOSA-N 1 3 261.341 -0.637 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001272616812 827827961 /nfs/dbraw/zinc/82/79/61/827827961.db2.gz PQLFCSPGOZVNLC-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001273710445 827921756 /nfs/dbraw/zinc/92/17/56/827921756.db2.gz VHQMPIQAGMIVCT-UHFFFAOYSA-N 1 3 268.361 -0.994 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273716436 827922304 /nfs/dbraw/zinc/92/23/04/827922304.db2.gz LEDNPBRPQJSIGI-ZDUSSCGKSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047654 827956229 /nfs/dbraw/zinc/95/62/29/827956229.db2.gz SBIOOAFNASIYJC-OCCSQVGLSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047654 827956232 /nfs/dbraw/zinc/95/62/32/827956232.db2.gz SBIOOAFNASIYJC-OCCSQVGLSA-N 1 3 269.389 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@@H](C)O ZINC001274611866 828011503 /nfs/dbraw/zinc/01/15/03/828011503.db2.gz XCNRJWUTTSXNRD-FOQNGQEVSA-N 1 3 257.378 -0.031 20 0 CBADHO C[NH+](C)CCN1CC[C@]2(CCCN(CC(N)=O)CC2)C1=O ZINC001274061947 827962790 /nfs/dbraw/zinc/96/27/90/827962790.db2.gz JHMWTRUJWVKGIO-OAHLLOKOSA-N 1 3 296.415 -0.262 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H]1CCNC1=O)[NH+](C)C ZINC001274339528 827984039 /nfs/dbraw/zinc/98/40/39/827984039.db2.gz OCIFMZYHGLYZFL-NTQVKLLNSA-N 1 3 296.415 -0.277 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274502557 827995106 /nfs/dbraw/zinc/99/51/06/827995106.db2.gz UAZUVBYAOQKBLU-ZDUSSCGKSA-N 1 3 299.415 -0.594 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518449 827996148 /nfs/dbraw/zinc/99/61/48/827996148.db2.gz GVIPRERZVCGRSQ-YMVSPQSISA-N 1 3 298.431 -0.031 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001274787167 828029918 /nfs/dbraw/zinc/02/99/18/828029918.db2.gz DFUUVUPKVOOSCD-SECBINFHSA-N 1 3 256.350 -0.950 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275311081 828077610 /nfs/dbraw/zinc/07/76/10/828077610.db2.gz XXHKJDQIMAAHDR-UHFFFAOYSA-N 1 3 266.345 -0.263 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001276213671 828138061 /nfs/dbraw/zinc/13/80/61/828138061.db2.gz BVSNRQWUUMFFGM-NWDGAFQWSA-N 1 3 286.420 -0.116 20 0 CBADHO CN(C)C(=O)CCN1CC2(C1)CN(CC[NH+](C)C)C2 ZINC001277636549 828200233 /nfs/dbraw/zinc/20/02/33/828200233.db2.gz KWDFKRNXZXFDDQ-UHFFFAOYSA-N 1 3 268.405 -0.356 20 0 CBADHO CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001278077311 828242151 /nfs/dbraw/zinc/24/21/51/828242151.db2.gz IFWIYAYRYQOYGZ-RYUDHWBXSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001278093810 828245715 /nfs/dbraw/zinc/24/57/15/828245715.db2.gz RGCFLMPKJSEDIB-NSHDSACASA-N 1 3 257.378 -0.054 20 0 CBADHO CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001278804308 828292269 /nfs/dbraw/zinc/29/22/69/828292269.db2.gz PZCBNIMAYAXBNZ-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001278828934 828293621 /nfs/dbraw/zinc/29/36/21/828293621.db2.gz RJMNJCMBBIQSIU-ZDUSSCGKSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001278828934 828293623 /nfs/dbraw/zinc/29/36/23/828293623.db2.gz RJMNJCMBBIQSIU-ZDUSSCGKSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152426478 884676697 /nfs/dbraw/zinc/67/66/97/884676697.db2.gz JKVUEXPCGZQBDO-LLVKDONJSA-N 1 3 270.377 -0.689 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179763984 884708751 /nfs/dbraw/zinc/70/87/51/884708751.db2.gz SCRYFURNJMUCBS-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188146139 884722427 /nfs/dbraw/zinc/72/24/27/884722427.db2.gz VVZBHPXDQFNRSC-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH2+]CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001326600016 885079633 /nfs/dbraw/zinc/07/96/33/885079633.db2.gz ZFKICGUUFPHHFG-JTQLQIEISA-N 1 3 252.322 -0.880 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326818200 885161444 /nfs/dbraw/zinc/16/14/44/885161444.db2.gz ZFWLEGVGXKWKJD-JTQLQIEISA-N 1 3 279.331 -0.068 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886930 885183263 /nfs/dbraw/zinc/18/32/63/885183263.db2.gz VWUIYZMIJGELIL-VWYCJHECSA-N 1 3 262.375 -0.605 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001332296814 887190379 /nfs/dbraw/zinc/19/03/79/887190379.db2.gz VACRJGSWQBUPSU-GARJFASQSA-N 1 3 251.334 -0.590 20 0 CBADHO CN(C)C(=O)c1cccc(CNC(CN)C[NH3+])c1 ZINC001333530610 887675529 /nfs/dbraw/zinc/67/55/29/887675529.db2.gz ZFRQOVSYIYFGKQ-UHFFFAOYSA-N 1 3 250.346 -0.236 20 0 CBADHO C[NH+]1CCC2(CC1)CN(C[C@@H]1CNC(=O)C1)CCO2 ZINC001333608412 887713283 /nfs/dbraw/zinc/71/32/83/887713283.db2.gz ZKRKZQAPTDEDRM-LBPRGKRZSA-N 1 3 267.373 -0.081 20 0 CBADHO CC[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001336905766 888917450 /nfs/dbraw/zinc/91/74/50/888917450.db2.gz IXVZWJIBGFEFFH-STQMWFEESA-N 1 3 284.404 -0.164 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001340977449 889527622 /nfs/dbraw/zinc/52/76/22/889527622.db2.gz IDEKQSPSERGBFM-RKDXNWHRSA-N 1 3 257.334 -0.537 20 0 CBADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145663 889550582 /nfs/dbraw/zinc/55/05/82/889550582.db2.gz QSLRKBYECSQANL-KXUCPTDWSA-N 1 3 266.349 -0.552 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001341370092 889584467 /nfs/dbraw/zinc/58/44/67/889584467.db2.gz VSDYGPHHRXQWOI-NHCYSSNCSA-N 1 3 251.330 -0.767 20 0 CBADHO COCCN1CC[C@H](NC(=O)CC2CC([NH3+])C2)C1 ZINC001341605669 889631317 /nfs/dbraw/zinc/63/13/17/889631317.db2.gz QOOVZUYEXTWMQL-MCIGGMRASA-N 1 3 255.362 -0.049 20 0 CBADHO CC1CCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001341556255 889623445 /nfs/dbraw/zinc/62/34/45/889623445.db2.gz XSTAVSFZEKRHSM-TZMCWYRMSA-N 1 3 269.389 -0.053 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672228 889644719 /nfs/dbraw/zinc/64/47/19/889644719.db2.gz BQFDFTJPWKLWAE-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC001341675383 889644856 /nfs/dbraw/zinc/64/48/56/889644856.db2.gz SFCUYUOWZDNDSP-JHJVBQTASA-N 1 3 268.405 -0.229 20 0 CBADHO C[C@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001341695504 889648286 /nfs/dbraw/zinc/64/82/86/889648286.db2.gz GNLJTKJRGXCSAH-MBNYWOFBSA-N 1 3 267.373 -0.300 20 0 CBADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347804 889755967 /nfs/dbraw/zinc/75/59/67/889755967.db2.gz KBONWDNGRMQSIX-BEVNXUHPSA-N 1 3 267.373 -0.219 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001444321548 912422098 /nfs/dbraw/zinc/42/20/98/912422098.db2.gz FBGYWFGXCDEJLM-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343713560 889953835 /nfs/dbraw/zinc/95/38/35/889953835.db2.gz GWKPLBPTGUKWNX-NWDGAFQWSA-N 1 3 254.378 -0.604 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001344519120 890036497 /nfs/dbraw/zinc/03/64/97/890036497.db2.gz SJXBIQBBCWOMMO-CYDGBPFRSA-N 1 3 269.389 -0.102 20 0 CBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001444626735 912481423 /nfs/dbraw/zinc/48/14/23/912481423.db2.gz XXYMMBOLEXYZEU-VXGBXAGGSA-N 1 3 286.420 -0.149 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CN[C@H](C)C(N)=O)[NH+](C)C ZINC001445396489 912657097 /nfs/dbraw/zinc/65/70/97/912657097.db2.gz BIJWWOTYFVBIMW-MXWKQRLJSA-N 1 3 272.393 -0.459 20 0 CBADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445506442 912679761 /nfs/dbraw/zinc/67/97/61/912679761.db2.gz WZCAHCPFRFRJDH-YPMHNXCESA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445506442 912679771 /nfs/dbraw/zinc/67/97/71/912679771.db2.gz WZCAHCPFRFRJDH-YPMHNXCESA-N 1 3 279.388 -0.034 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001445609583 912711364 /nfs/dbraw/zinc/71/13/64/912711364.db2.gz ZTGNQERHLHOSPP-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001445603343 912711454 /nfs/dbraw/zinc/71/14/54/912711454.db2.gz DPQKWTTWYDBUSY-DCAQKATOSA-N 1 3 270.377 -0.691 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)[NH+](C)C ZINC001445603981 912711858 /nfs/dbraw/zinc/71/18/58/912711858.db2.gz BIJWWOTYFVBIMW-HBNTYKKESA-N 1 3 272.393 -0.459 20 0 CBADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445869151 912774638 /nfs/dbraw/zinc/77/46/38/912774638.db2.gz MNUHWHFRNRWHMM-QWHCGFSZSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445869151 912774644 /nfs/dbraw/zinc/77/46/44/912774644.db2.gz MNUHWHFRNRWHMM-QWHCGFSZSA-N 1 3 294.403 -0.334 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001445967255 912793345 /nfs/dbraw/zinc/79/33/45/912793345.db2.gz KYFIFYWPEWWDRP-NSHDSACASA-N 1 3 270.377 -0.832 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CC1(F)CC[NH2+]CC1 ZINC001211354234 884770811 /nfs/dbraw/zinc/77/08/11/884770811.db2.gz LRELBOMRMXPMTE-NSHDSACASA-N 1 3 273.352 -0.085 20 0 CBADHO OC1(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CNC1 ZINC001247793065 884796979 /nfs/dbraw/zinc/79/69/79/884796979.db2.gz VPFIIBABEPFLJK-UHFFFAOYSA-N 1 3 287.323 -0.346 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001446420908 912881709 /nfs/dbraw/zinc/88/17/09/912881709.db2.gz PVVZWGVEIPNCES-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC)N(C)C ZINC001446442660 912887023 /nfs/dbraw/zinc/88/70/23/912887023.db2.gz DZOZHPCRDTYKFO-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOCCCO ZINC001326950208 885199578 /nfs/dbraw/zinc/19/95/78/885199578.db2.gz YEKPBSCNSQQJQK-GFCCVEGCSA-N 1 3 272.393 -0.016 20 0 CBADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]CCCO)C2)CCC1 ZINC001326988965 885212891 /nfs/dbraw/zinc/21/28/91/885212891.db2.gz RMCHGQYECBAZLN-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446577261 912912633 /nfs/dbraw/zinc/91/26/33/912912633.db2.gz WWGKDYLJCWZMGU-FZMZJTMJSA-N 1 3 282.388 -0.606 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCC[NH2+]2)n1 ZINC001327614247 885428816 /nfs/dbraw/zinc/42/88/16/885428816.db2.gz OIILXXOZYFZQBP-SECBINFHSA-N 1 3 265.317 -0.601 20 0 CBADHO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758156 912937754 /nfs/dbraw/zinc/93/77/54/912937754.db2.gz NEYGQVWMQJKUNB-GXTWGEPZSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758156 912937766 /nfs/dbraw/zinc/93/77/66/912937766.db2.gz NEYGQVWMQJKUNB-GXTWGEPZSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1=CCN(C)CC1 ZINC001327834449 885493788 /nfs/dbraw/zinc/49/37/88/885493788.db2.gz KORJQPGIDPCIDR-NSHDSACASA-N 1 3 282.388 -0.440 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CCC[NH2+]2)n1 ZINC001327926848 885531497 /nfs/dbraw/zinc/53/14/97/885531497.db2.gz CXXXCLCBCJXRBJ-QMMMGPOBSA-N 1 3 265.317 -0.601 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001446788195 912951923 /nfs/dbraw/zinc/95/19/23/912951923.db2.gz BCERVYVKUKUPNS-TZMCWYRMSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446788195 912951928 /nfs/dbraw/zinc/95/19/28/912951928.db2.gz BCERVYVKUKUPNS-TZMCWYRMSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001328939829 885852414 /nfs/dbraw/zinc/85/24/14/885852414.db2.gz BHWYNTSYDPXWQC-UHFFFAOYSA-N 1 3 257.378 -0.195 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NCCCCN1CCN(C)CC1 ZINC001329253906 885984258 /nfs/dbraw/zinc/98/42/58/885984258.db2.gz PFMVNNBCHYXCSH-ZDUSSCGKSA-N 1 3 286.420 -0.506 20 0 CBADHO C[C@@H]1C[C@H](C)N(CC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC001329498720 886096150 /nfs/dbraw/zinc/09/61/50/886096150.db2.gz HYQOTOMRIHKKEM-FRRDWIJNSA-N 1 3 268.405 -0.277 20 0 CBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC001329802038 886212867 /nfs/dbraw/zinc/21/28/67/886212867.db2.gz YYUCFYKKIQGZSF-HBNTYKKESA-N 1 3 279.406 -0.732 20 0 CBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC001329802040 886213238 /nfs/dbraw/zinc/21/32/38/886213238.db2.gz YYUCFYKKIQGZSF-OUAUKWLOSA-N 1 3 279.406 -0.732 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCOC3(CNC3)C2)C1 ZINC001330648644 886517773 /nfs/dbraw/zinc/51/77/73/886517773.db2.gz QIFYXCMUHVLNNO-OPQQBVKSSA-N 1 3 251.330 -0.685 20 0 CBADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001447362670 913061566 /nfs/dbraw/zinc/06/15/66/913061566.db2.gz XZSVFHUYFRXCPM-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331149227 886695322 /nfs/dbraw/zinc/69/53/22/886695322.db2.gz LMIVIPXLXWZHFA-UPJWGTAASA-N 1 3 296.415 -0.312 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001331231039 886740691 /nfs/dbraw/zinc/74/06/91/886740691.db2.gz AMIUGZIBRQVPHH-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001331231038 886741996 /nfs/dbraw/zinc/74/19/96/886741996.db2.gz AMIUGZIBRQVPHH-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH2+]CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001331395694 886793881 /nfs/dbraw/zinc/79/38/81/886793881.db2.gz IZLRPOYFSMHKGG-UHFFFAOYSA-N 1 3 283.420 -0.373 20 0 CBADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC001331705660 886921265 /nfs/dbraw/zinc/92/12/65/886921265.db2.gz HGMXZSBDEHNANK-RWMBFGLXSA-N 1 3 294.399 -0.641 20 0 CBADHO C[NH2+]CCOCCN[C@@H]1CCCS(=O)(=O)C1 ZINC001331848877 887011157 /nfs/dbraw/zinc/01/11/57/887011157.db2.gz DHEYKHHRTDEAEH-SNVBAGLBSA-N 1 3 250.364 -0.611 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331967771 887069740 /nfs/dbraw/zinc/06/97/40/887069740.db2.gz CCEZVRLFAITONJ-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001331967771 887069748 /nfs/dbraw/zinc/06/97/48/887069748.db2.gz CCEZVRLFAITONJ-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027411 887088344 /nfs/dbraw/zinc/08/83/44/887088344.db2.gz MJTARAPFBLEJIC-VHSXEESVSA-N 1 3 256.350 -0.998 20 0 CBADHO C[NH2+]CC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC001332158039 887135589 /nfs/dbraw/zinc/13/55/89/887135589.db2.gz QMZDYOYWARLPBT-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178628 887142409 /nfs/dbraw/zinc/14/24/09/887142409.db2.gz FIXPOKPDVDNOOD-GXFFZTMASA-N 1 3 255.362 -0.146 20 0 CBADHO C[C@@H]([NH3+])CC(=O)NCCCCN1CCN(C)CC1 ZINC001332234155 887164904 /nfs/dbraw/zinc/16/49/04/887164904.db2.gz TYRBCUUJUPZPON-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CN1CCN(C2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)CC1 ZINC001332229047 887165199 /nfs/dbraw/zinc/16/51/99/887165199.db2.gz SATNTHXVVTVJSZ-CYBMUJFWSA-N 1 3 266.389 -0.413 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC001332283082 887184614 /nfs/dbraw/zinc/18/46/14/887184614.db2.gz XZYWJKMFQKSVPV-QWRGUYRKSA-N 1 3 253.346 -0.519 20 0 CBADHO COCCCNC(=O)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332334304 887207428 /nfs/dbraw/zinc/20/74/28/887207428.db2.gz JYSRXFCYIHWPOH-IHRRRGAJSA-N 1 3 299.415 -0.298 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332332394 887208066 /nfs/dbraw/zinc/20/80/66/887208066.db2.gz OSURIFPKOMOINC-JOCQHMNTSA-N 1 3 296.415 -0.217 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(Cn3cnnc3)CC2)C1 ZINC001332366286 887232152 /nfs/dbraw/zinc/23/21/52/887232152.db2.gz XRILNCLSZUJDIS-AVGNSLFASA-N 1 3 265.361 -0.159 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001332976547 887492438 /nfs/dbraw/zinc/49/24/38/887492438.db2.gz PSOQBTTZLFXPII-JTQLQIEISA-N 1 3 263.345 -0.249 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332993278 887498055 /nfs/dbraw/zinc/49/80/55/887498055.db2.gz KEUTUMUWRLFZCS-JOCQHMNTSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CCN(C(=O)c2c(CN)cnn2C)C[C@H]1C[NH3+] ZINC001333338888 887602801 /nfs/dbraw/zinc/60/28/01/887602801.db2.gz TXBLNFMFPYMQLL-GXSJLCMTSA-N 1 3 265.361 -0.064 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001447935602 913171841 /nfs/dbraw/zinc/17/18/41/913171841.db2.gz RUTZCSLODRYPPB-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001333670100 887740396 /nfs/dbraw/zinc/74/03/96/887740396.db2.gz LMZJOIMAEGLTIJ-UKKRHICBSA-N 1 3 255.362 -0.147 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N3)CC2)CC1 ZINC001333925735 887809949 /nfs/dbraw/zinc/80/99/49/887809949.db2.gz YBVQVRLNRRCHHW-CYBMUJFWSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCN(C2CCN(C(=O)NCCC[NH3+])CC2)CC1 ZINC001334211854 887893363 /nfs/dbraw/zinc/89/33/63/887893363.db2.gz BCBNPAPWIVUBHM-UHFFFAOYSA-N 1 3 283.420 -0.243 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001334824176 888339634 /nfs/dbraw/zinc/33/96/34/888339634.db2.gz SHTWWHXCRZIQIJ-GRYCIOLGSA-N 1 3 255.362 -0.321 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)CCN(C)CC1 ZINC001335243958 888463809 /nfs/dbraw/zinc/46/38/09/888463809.db2.gz NGSQJCSOPZJMOY-AWEZNQCLSA-N 1 3 272.437 -0.522 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)CCN(C)CC1 ZINC001335243958 888463813 /nfs/dbraw/zinc/46/38/13/888463813.db2.gz NGSQJCSOPZJMOY-AWEZNQCLSA-N 1 3 272.437 -0.522 20 0 CBADHO C[C@@]1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCNC1=O ZINC001335288628 888486248 /nfs/dbraw/zinc/48/62/48/888486248.db2.gz HOBOPUUYXGLFFK-ZWNOBZJWSA-N 1 3 268.361 -0.948 20 0 CBADHO CN1CCC(O)(C[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001335439758 888534476 /nfs/dbraw/zinc/53/44/76/888534476.db2.gz GUNGJJRHFRCQNE-NSHDSACASA-N 1 3 260.378 -0.445 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336252528 888729000 /nfs/dbraw/zinc/72/90/00/888729000.db2.gz PBEJCDVIZUBVRC-LSCVPOLPSA-N 1 3 268.361 -0.755 20 0 CBADHO CN(C)C(C)(C)C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001336728646 888859167 /nfs/dbraw/zinc/85/91/67/888859167.db2.gz YUBPPIVQEXBZLE-CYBMUJFWSA-N 1 3 272.437 -0.476 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336907519 888916207 /nfs/dbraw/zinc/91/62/07/888916207.db2.gz HDJBYABIOBOXHV-UKKRHICBSA-N 1 3 254.334 -0.833 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337532437 889032353 /nfs/dbraw/zinc/03/23/53/889032353.db2.gz QYADVYRGJIUGFW-JOCQHMNTSA-N 1 3 298.431 -0.114 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338640616 889184204 /nfs/dbraw/zinc/18/42/04/889184204.db2.gz HDJBYABIOBOXHV-CHWFTXMASA-N 1 3 254.334 -0.833 20 0 CBADHO C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001338627707 889184220 /nfs/dbraw/zinc/18/42/20/889184220.db2.gz XBWFJFOTFWRJRW-NEPJUHHUSA-N 1 3 270.377 -0.554 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448602781 913326424 /nfs/dbraw/zinc/32/64/24/913326424.db2.gz MURZYCHZQBIYRK-GFCCVEGCSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN1CCN(CCNC(=O)C2CC([NH2+]C)C2)CC1 ZINC001340242732 889415007 /nfs/dbraw/zinc/41/50/07/889415007.db2.gz XDYXCDNYMBDAOV-UHFFFAOYSA-N 1 3 268.405 -0.262 20 0 CBADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCN1CCCCC1 ZINC001340789251 889486928 /nfs/dbraw/zinc/48/69/28/889486928.db2.gz ISXQVRLCQOSBJF-NWDGAFQWSA-N 1 3 257.378 -0.195 20 0 CBADHO CN1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001340825284 889493140 /nfs/dbraw/zinc/49/31/40/889493140.db2.gz WXTMDARGRYQKIG-YPMHNXCESA-N 1 3 255.362 -0.299 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC001340891628 889505820 /nfs/dbraw/zinc/50/58/20/889505820.db2.gz BAGNPTIOYPLEKM-URBCHYCLSA-N 1 3 269.389 -0.198 20 0 CBADHO COCCNCC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341338747 889577940 /nfs/dbraw/zinc/57/79/40/889577940.db2.gz IEMWYULHVDNUGG-CYBMUJFWSA-N 1 3 255.362 -0.033 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001341370477 889582985 /nfs/dbraw/zinc/58/29/85/889582985.db2.gz YQTVDMMQUQYHAM-NXEZZACHSA-N 1 3 253.346 -0.378 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001341370485 889584113 /nfs/dbraw/zinc/58/41/13/889584113.db2.gz YSYOEIMEZCLJCL-MXWKQRLJSA-N 1 3 253.346 -0.378 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001341547331 889619990 /nfs/dbraw/zinc/61/99/90/889619990.db2.gz MQAZHKAUTBEWLN-SDDRHHMPSA-N 1 3 252.362 -0.757 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C(C)(C)O ZINC001341571524 889623664 /nfs/dbraw/zinc/62/36/64/889623664.db2.gz PTJMNYAWHDDDFR-GHMZBOCLSA-N 1 3 257.378 -0.115 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C(C)(C)O ZINC001341571524 889623678 /nfs/dbraw/zinc/62/36/78/889623678.db2.gz PTJMNYAWHDDDFR-GHMZBOCLSA-N 1 3 257.378 -0.115 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001341664985 889642536 /nfs/dbraw/zinc/64/25/36/889642536.db2.gz YJWWKIKDWCOHGI-WJZNIJOASA-N 1 3 269.345 -0.537 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(N)=O ZINC001448745385 913366953 /nfs/dbraw/zinc/36/69/53/913366953.db2.gz GOLNXFSPRHFSMV-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001341777542 889660132 /nfs/dbraw/zinc/66/01/32/889660132.db2.gz JPEUBCZEJIQZDT-AXFHLTTASA-N 1 3 269.345 -0.523 20 0 CBADHO CCO[C@@H](CNC(=O)[C@@H](N)CCOC)C[NH+](C)C ZINC001341798380 889665362 /nfs/dbraw/zinc/66/53/62/889665362.db2.gz XJLZUTQRSNQVQW-QWRGUYRKSA-N 1 3 261.366 -0.567 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341971365 889691285 /nfs/dbraw/zinc/69/12/85/889691285.db2.gz YBKBBAXAAPVOJR-GXTWGEPZSA-N 1 3 266.389 -0.365 20 0 CBADHO CCN(C(=O)[C@@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001342087650 889709032 /nfs/dbraw/zinc/70/90/32/889709032.db2.gz NFNCIIOCMLDKFM-LBPRGKRZSA-N 1 3 254.378 -0.510 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)C1=CCC[NH2+]CC1 ZINC001342126313 889714516 /nfs/dbraw/zinc/71/45/16/889714516.db2.gz QCMXYYKETNXYMO-LLVKDONJSA-N 1 3 251.330 -0.457 20 0 CBADHO CCN(C(=O)C[C@@H]1CNCCO1)[C@H]1CCC[NH2+]C1 ZINC001342274825 889745363 /nfs/dbraw/zinc/74/53/63/889745363.db2.gz APOSSECGMOJEOC-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347806 889755348 /nfs/dbraw/zinc/75/53/48/889755348.db2.gz KBONWDNGRMQSIX-MRFPXMQZSA-N 1 3 267.373 -0.219 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC001342567345 889791837 /nfs/dbraw/zinc/79/18/37/889791837.db2.gz ANTLHHSRMHKWFR-MXWKQRLJSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CCN1C ZINC001342569293 889796496 /nfs/dbraw/zinc/79/64/96/889796496.db2.gz IQYGXKNCZSVHSQ-ZJUUUORDSA-N 1 3 266.349 -0.551 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343031326 889857617 /nfs/dbraw/zinc/85/76/17/889857617.db2.gz GFMQPCGMVGPJDF-WCQYABFASA-N 1 3 252.362 -0.756 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)c1c(CN)cnn1C ZINC001343036986 889859404 /nfs/dbraw/zinc/85/94/04/889859404.db2.gz JSYDPNBZALZAFP-SNVBAGLBSA-N 1 3 253.350 -0.018 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343235585 889878797 /nfs/dbraw/zinc/87/87/97/889878797.db2.gz UZLUFNZPMCRGJV-LOWVWBTDSA-N 1 3 253.346 -0.377 20 0 CBADHO [NH3+]CC1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC(O)C1 ZINC001343407283 889903965 /nfs/dbraw/zinc/90/39/65/889903965.db2.gz AMRDLNBPGOONAU-CBZQXFMTSA-N 1 3 253.346 -0.561 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001343460387 889912571 /nfs/dbraw/zinc/91/25/71/889912571.db2.gz ZMRKCJLAOKSGFR-KXUCPTDWSA-N 1 3 257.334 -0.537 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001343474680 889915797 /nfs/dbraw/zinc/91/57/97/889915797.db2.gz XLVFXGKPVHQWRV-XQHKEYJVSA-N 1 3 267.373 -0.219 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001343486930 889918282 /nfs/dbraw/zinc/91/82/82/889918282.db2.gz ORWHGPRVZGAPAV-GXTWGEPZSA-N 1 3 266.389 -0.508 20 0 CBADHO CCN(C(=O)C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC001343730528 889958334 /nfs/dbraw/zinc/95/83/34/889958334.db2.gz CELNXPDYQIEQOQ-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(C[C@H]1NCc2ccccc21)NCC1(O)C[NH2+]C1 ZINC001343966182 889983044 /nfs/dbraw/zinc/98/30/44/889983044.db2.gz GAYCGBNWOFUVPB-GFCCVEGCSA-N 1 3 261.325 -0.329 20 0 CBADHO [NH3+]CCNCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001344022962 889990884 /nfs/dbraw/zinc/99/08/84/889990884.db2.gz KYJDPIMFODPFIK-CYBMUJFWSA-N 1 3 278.356 -0.166 20 0 CBADHO [NH3+]C[C@@H](O)CNC(=O)c1ccc2c(c1)OCCNC2 ZINC001344043805 889997303 /nfs/dbraw/zinc/99/73/03/889997303.db2.gz KXJANGUJEDIDHH-LLVKDONJSA-N 1 3 265.313 -0.782 20 0 CBADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344373384 890018390 /nfs/dbraw/zinc/01/83/90/890018390.db2.gz FHNMCXTXBNSGOM-RYUDHWBXSA-N 1 3 255.362 -0.313 20 0 CBADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344373382 890019568 /nfs/dbraw/zinc/01/95/68/890019568.db2.gz FHNMCXTXBNSGOM-NWDGAFQWSA-N 1 3 255.362 -0.313 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344375010 890020567 /nfs/dbraw/zinc/02/05/67/890020567.db2.gz QLQYXERSPPFUKX-BDAKNGLRSA-N 1 3 265.304 -0.458 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001346385979 890281682 /nfs/dbraw/zinc/28/16/82/890281682.db2.gz YEYHGCWDABFWDR-SDDRHHMPSA-N 1 3 255.362 -0.321 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001346385979 890281693 /nfs/dbraw/zinc/28/16/93/890281693.db2.gz YEYHGCWDABFWDR-SDDRHHMPSA-N 1 3 255.362 -0.321 20 0 CBADHO C([C@H]1CNCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001347145863 890414572 /nfs/dbraw/zinc/41/45/72/890414572.db2.gz QPAQDANGUSHEAM-ZIAGYGMSSA-N 1 3 269.389 -0.371 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC001347160107 890420941 /nfs/dbraw/zinc/42/09/41/890420941.db2.gz MPDUNTKRFJOTLS-MRVPVSSYSA-N 1 3 251.290 -0.991 20 0 CBADHO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CN(C)CC(C)(C)C ZINC001448912112 913456199 /nfs/dbraw/zinc/45/61/99/913456199.db2.gz TZEWNTMGAXXBFH-RYUDHWBXSA-N 1 3 289.420 -0.588 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001348593691 890659142 /nfs/dbraw/zinc/65/91/42/890659142.db2.gz QJTBTBPMSWRBIJ-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001348964538 890737906 /nfs/dbraw/zinc/73/79/06/890737906.db2.gz AOBCBMONRMYMTN-CYBMUJFWSA-N 1 3 257.378 -0.147 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC001349227833 890780832 /nfs/dbraw/zinc/78/08/32/890780832.db2.gz MGXKOCZAMARVMA-MNOVXSKESA-N 1 3 253.346 -0.377 20 0 CBADHO NCc1cn([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399170 890807752 /nfs/dbraw/zinc/80/77/52/890807752.db2.gz YUIHCGOFOZBYLY-YPMHNXCESA-N 1 3 264.377 -0.017 20 0 CBADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001349608107 890849424 /nfs/dbraw/zinc/84/94/24/890849424.db2.gz IAFMXMKCBAKJHM-AAOUONPWSA-N 1 3 265.357 -0.257 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC001349674880 890865529 /nfs/dbraw/zinc/86/55/29/890865529.db2.gz RHTRMWKEKIGFQG-ZDUSSCGKSA-N 1 3 285.388 -0.408 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350045518 890929123 /nfs/dbraw/zinc/92/91/23/890929123.db2.gz KLHGPQHITOYJQG-SRVKXCTJSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449101866 913506151 /nfs/dbraw/zinc/50/61/51/913506151.db2.gz YNPNFHUALUHIEF-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[NH+](C)CCOCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001350965097 891079294 /nfs/dbraw/zinc/07/92/94/891079294.db2.gz MZGWVWJENCUVJP-GFCCVEGCSA-N 1 3 285.388 -0.551 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001353200522 891381636 /nfs/dbraw/zinc/38/16/36/891381636.db2.gz CGCKAESNQYSLSD-ZDUSSCGKSA-N 1 3 284.404 -0.754 20 0 CBADHO CCN(C(=O)C(=O)NCCN(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC001353274921 891391910 /nfs/dbraw/zinc/39/19/10/891391910.db2.gz ADCKKVCUDCEHMD-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001353430406 891424648 /nfs/dbraw/zinc/42/46/48/891424648.db2.gz PSABMAMFUZGJOO-WCQYABFASA-N 1 3 268.361 -0.488 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001354524324 891589059 /nfs/dbraw/zinc/58/90/59/891589059.db2.gz VMEZXYCAXIGHTI-FRRDWIJNSA-N 1 3 266.389 -0.557 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001354524324 891589073 /nfs/dbraw/zinc/58/90/73/891589073.db2.gz VMEZXYCAXIGHTI-FRRDWIJNSA-N 1 3 266.389 -0.557 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001354892008 891627106 /nfs/dbraw/zinc/62/71/06/891627106.db2.gz FFCDJEITWNVHPT-DGORSVRFSA-N 1 3 257.378 -0.200 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354958887 891634231 /nfs/dbraw/zinc/63/42/31/891634231.db2.gz SANGUYZVUYWULC-OUCADQQQSA-N 1 3 266.389 -0.462 20 0 CBADHO O=C([C@H]1NCCc2ccccc21)N1CCNCC[NH2+]CC1 ZINC001355027505 891638055 /nfs/dbraw/zinc/63/80/55/891638055.db2.gz HNAZUCDNTNPXBG-HNNXBMFYSA-N 1 3 288.395 -0.105 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001355520863 891687115 /nfs/dbraw/zinc/68/71/15/891687115.db2.gz QDERZKIFDKYRLS-NEPJUHHUSA-N 1 3 254.378 -0.462 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC001355817787 891707497 /nfs/dbraw/zinc/70/74/97/891707497.db2.gz DPTQFSSPHISFAH-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO NOCCCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001356083396 891726334 /nfs/dbraw/zinc/72/63/34/891726334.db2.gz OLCOGTWBRHKBID-JTQLQIEISA-N 1 3 254.338 -0.427 20 0 CBADHO [NH3+]CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001356226747 891741068 /nfs/dbraw/zinc/74/10/68/891741068.db2.gz BXYAXSJLRVZGOM-VXGBXAGGSA-N 1 3 271.361 -0.981 20 0 CBADHO [NH3+]C1(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001356228491 891741402 /nfs/dbraw/zinc/74/14/02/891741402.db2.gz RYTGSXCGWFAXEO-NWDGAFQWSA-N 1 3 267.373 -0.075 20 0 CBADHO O[C@@H](C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)CN1CCCC1 ZINC001356609246 891783039 /nfs/dbraw/zinc/78/30/39/891783039.db2.gz IECJBAOFCBAAAU-SOUVJXGZSA-N 1 3 283.416 -0.104 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357453058 891893619 /nfs/dbraw/zinc/89/36/19/891893619.db2.gz LHWPDAGIMHQDNL-VHSXEESVSA-N 1 3 257.334 -0.475 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC001357457416 891898307 /nfs/dbraw/zinc/89/83/07/891898307.db2.gz JEXURISTIXVKFE-OPRDCNLKSA-N 1 3 257.334 -0.524 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001357474926 891905058 /nfs/dbraw/zinc/90/50/58/891905058.db2.gz SDFHRLUKHSYDLZ-NWDGAFQWSA-N 1 3 254.378 -0.462 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001358001532 891956214 /nfs/dbraw/zinc/95/62/14/891956214.db2.gz QEYFFSLXWSDNBP-VWYCJHECSA-N 1 3 269.345 -0.380 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001358024150 891957065 /nfs/dbraw/zinc/95/70/65/891957065.db2.gz QGLWBVRWLLXOLU-CHWSQXEVSA-N 1 3 263.341 -0.473 20 0 CBADHO C[C@H]1[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CCN1C ZINC001358185327 891978971 /nfs/dbraw/zinc/97/89/71/891978971.db2.gz IUGBEGJYSHCPRS-QWRGUYRKSA-N 1 3 280.376 -0.161 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC001358252068 891986948 /nfs/dbraw/zinc/98/69/48/891986948.db2.gz UBZWPMVASCWXHS-NWDGAFQWSA-N 1 3 255.362 -0.048 20 0 CBADHO CN1CCN(C)CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001358445212 892008356 /nfs/dbraw/zinc/00/83/56/892008356.db2.gz XHICPSXMMULABY-ZDUSSCGKSA-N 1 3 284.404 -0.929 20 0 CBADHO Cc1nccn1CC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001362133688 892458388 /nfs/dbraw/zinc/45/83/88/892458388.db2.gz KWNXFXFSUGMHQO-LBPRGKRZSA-N 1 3 279.388 -0.056 20 0 CBADHO Cc1nccn1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001362133688 892458398 /nfs/dbraw/zinc/45/83/98/892458398.db2.gz KWNXFXFSUGMHQO-LBPRGKRZSA-N 1 3 279.388 -0.056 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001450507362 913706189 /nfs/dbraw/zinc/70/61/89/913706189.db2.gz GYMJAZVNZJCFRN-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001450507362 913706200 /nfs/dbraw/zinc/70/62/00/913706200.db2.gz GYMJAZVNZJCFRN-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001363049843 893303544 /nfs/dbraw/zinc/30/35/44/893303544.db2.gz WIIUUAULKJOSSF-TUAOUCFPSA-N 1 3 284.404 -0.504 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001363049843 893303561 /nfs/dbraw/zinc/30/35/61/893303561.db2.gz WIIUUAULKJOSSF-TUAOUCFPSA-N 1 3 284.404 -0.504 20 0 CBADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001363127792 893387145 /nfs/dbraw/zinc/38/71/45/893387145.db2.gz PEQHSXMJDMFGOL-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001363127792 893387162 /nfs/dbraw/zinc/38/71/62/893387162.db2.gz PEQHSXMJDMFGOL-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001364418082 894403459 /nfs/dbraw/zinc/40/34/59/894403459.db2.gz OOEVLTFWROZEQD-GJZGRUSLSA-N 1 3 285.432 -0.313 20 0 CBADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001364418082 894403465 /nfs/dbraw/zinc/40/34/65/894403465.db2.gz OOEVLTFWROZEQD-GJZGRUSLSA-N 1 3 285.432 -0.313 20 0 CBADHO COC(=O)CNC(=O)CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001364551082 894489514 /nfs/dbraw/zinc/48/95/14/894489514.db2.gz UWYRTRVTFSYDDC-RISCZKNCSA-N 1 3 283.372 -0.451 20 0 CBADHO COC(=O)CNC(=O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001364551082 894489518 /nfs/dbraw/zinc/48/95/18/894489518.db2.gz UWYRTRVTFSYDDC-RISCZKNCSA-N 1 3 283.372 -0.451 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001365828357 895128835 /nfs/dbraw/zinc/12/88/35/895128835.db2.gz ZIPXCGBXTMSNDK-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001365823876 895129373 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CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366096188 895189378 /nfs/dbraw/zinc/18/93/78/895189378.db2.gz ALZAWANQOUXPQD-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366097831 895190840 /nfs/dbraw/zinc/19/08/40/895190840.db2.gz JRMFDKJKLXEFRM-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366133045 895202275 /nfs/dbraw/zinc/20/22/75/895202275.db2.gz WPIMBTNTMKTERV-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001366165026 895212023 /nfs/dbraw/zinc/21/20/23/895212023.db2.gz ZCECHJDIBDVJQJ-WRWGMCAJSA-N 1 3 282.388 -0.548 20 0 CBADHO CN(CC(=O)NC1CCC([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001366240338 895226698 /nfs/dbraw/zinc/22/66/98/895226698.db2.gz AHEZCIYMMBZUKE-UHFFFAOYSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001366291229 895263101 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CC[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001366777797 895459846 /nfs/dbraw/zinc/45/98/46/895459846.db2.gz SJDWZNCPSZUSIG-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001366777396 895460823 /nfs/dbraw/zinc/46/08/23/895460823.db2.gz RCXDJUVPKVAJKC-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832941 895466666 /nfs/dbraw/zinc/46/66/66/895466666.db2.gz HXJBNWHVAAANJY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366893276 895480760 /nfs/dbraw/zinc/48/07/60/895480760.db2.gz GEJKIWLFCAFERZ-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366893276 895480773 /nfs/dbraw/zinc/48/07/73/895480773.db2.gz GEJKIWLFCAFERZ-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367015507 895533302 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CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001367451840 895638701 /nfs/dbraw/zinc/63/87/01/895638701.db2.gz VIDCVEJIQDESLY-VXGBXAGGSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001367592015 895687296 /nfs/dbraw/zinc/68/72/96/895687296.db2.gz GDGZHZPCQLEKPV-QWHCGFSZSA-N 1 3 299.415 -0.426 20 0 CBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001367617531 895705565 /nfs/dbraw/zinc/70/55/65/895705565.db2.gz BVLZVTUVXFOPPT-ZIAGYGMSSA-N 1 3 294.399 -0.012 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001367690675 895751734 /nfs/dbraw/zinc/75/17/34/895751734.db2.gz OARSQYZLSLJALT-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001367696828 895754336 /nfs/dbraw/zinc/75/43/36/895754336.db2.gz AIHQKFJYBBKTSW-UTUOFQBUSA-N 1 3 286.420 -0.102 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC ZINC001367707222 895758393 /nfs/dbraw/zinc/75/83/93/895758393.db2.gz VSXSMHBSKZIOTD-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC ZINC001367707222 895758404 /nfs/dbraw/zinc/75/84/04/895758404.db2.gz VSXSMHBSKZIOTD-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711389 895758747 /nfs/dbraw/zinc/75/87/47/895758747.db2.gz FLNDBURUDKBBPC-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711389 895758754 /nfs/dbraw/zinc/75/87/54/895758754.db2.gz FLNDBURUDKBBPC-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367708166 895759014 /nfs/dbraw/zinc/75/90/14/895759014.db2.gz JDFGPRGWLMAWAX-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC ZINC001367707224 895762082 /nfs/dbraw/zinc/76/20/82/895762082.db2.gz VSXSMHBSKZIOTD-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC ZINC001367707224 895762095 /nfs/dbraw/zinc/76/20/95/895762095.db2.gz VSXSMHBSKZIOTD-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367735476 895778358 /nfs/dbraw/zinc/77/83/58/895778358.db2.gz SUCFSBRGLQEROT-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368108178 895914416 /nfs/dbraw/zinc/91/44/16/895914416.db2.gz ZOOKFUYWKDVIIG-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368108188 895917057 /nfs/dbraw/zinc/91/70/57/895917057.db2.gz ZOOKFUYWKDVIIG-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001368126129 895920269 /nfs/dbraw/zinc/92/02/69/895920269.db2.gz UAHWCGNFPIESLT-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368202008 895934415 /nfs/dbraw/zinc/93/44/15/895934415.db2.gz YNCWYZRAPFBAJD-HZMBPMFUSA-N 1 3 293.371 -0.346 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC[N@@H+]1C ZINC001368244189 895941198 /nfs/dbraw/zinc/94/11/98/895941198.db2.gz GXQHFCZIRAWYDC-GUTXKFCHSA-N 1 3 299.415 -0.738 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC[N@H+]1C ZINC001368244189 895941212 /nfs/dbraw/zinc/94/12/12/895941212.db2.gz GXQHFCZIRAWYDC-GUTXKFCHSA-N 1 3 299.415 -0.738 20 0 CBADHO C[NH+]1CCC(CC(=O)NCC2(NCC(N)=O)CCC2)CC1 ZINC001368481351 896020002 /nfs/dbraw/zinc/02/00/02/896020002.db2.gz FWFAJKVZKCJMBH-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001368523073 896024944 /nfs/dbraw/zinc/02/49/44/896024944.db2.gz GUDVRXXSSAXYPF-NTZNESFSSA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001368574292 896038152 /nfs/dbraw/zinc/03/81/52/896038152.db2.gz PFWQGUXEDXUFRW-LPWJVIDDSA-N 1 3 298.431 -0.069 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001368774130 896078898 /nfs/dbraw/zinc/07/88/98/896078898.db2.gz LLGXKWVYXNEWPT-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001368780908 896078994 /nfs/dbraw/zinc/07/89/94/896078994.db2.gz HAWYNZMVIPFHQI-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](NCCS(C)(=O)=O)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001368869892 896100020 /nfs/dbraw/zinc/10/00/20/896100020.db2.gz QLGGGEJQNPTAFA-GHMZBOCLSA-N 1 3 293.433 -0.535 20 0 CBADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)N(C)C ZINC001368916295 896110784 /nfs/dbraw/zinc/11/07/84/896110784.db2.gz BZPXKUVGBAUTAF-NSHDSACASA-N 1 3 286.420 -0.114 20 0 CBADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001452810332 914035266 /nfs/dbraw/zinc/03/52/66/914035266.db2.gz GZJLYMSALMGLMZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452810332 914035285 /nfs/dbraw/zinc/03/52/85/914035285.db2.gz GZJLYMSALMGLMZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001369194356 896169097 /nfs/dbraw/zinc/16/90/97/896169097.db2.gz BYEMUDNNSOJAAY-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCCS(C)(=O)=O ZINC001369273330 896184359 /nfs/dbraw/zinc/18/43/59/896184359.db2.gz CXQIAUPEPHIYMF-NSHDSACASA-N 1 3 293.433 -0.581 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCCS(C)(=O)=O ZINC001369273328 896185262 /nfs/dbraw/zinc/18/52/62/896185262.db2.gz CXQIAUPEPHIYMF-LLVKDONJSA-N 1 3 293.433 -0.581 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369309632 896199970 /nfs/dbraw/zinc/19/99/70/896199970.db2.gz VHYMILXPSMRXJW-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369309632 896199976 /nfs/dbraw/zinc/19/99/76/896199976.db2.gz VHYMILXPSMRXJW-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369403177 896260395 /nfs/dbraw/zinc/26/03/95/896260395.db2.gz OTRVKBXHHBQGCW-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369469642 896284811 /nfs/dbraw/zinc/28/48/11/896284811.db2.gz GRSAPKXLUMEFNC-DGCLKSJQSA-N 1 3 296.371 -0.602 20 0 CBADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)CC[NH+](C)C ZINC001369485768 896288996 /nfs/dbraw/zinc/28/89/96/896288996.db2.gz PNTIZWMQQMQHDC-CQSZACIVSA-N 1 3 294.399 -0.058 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001369518348 896306399 /nfs/dbraw/zinc/30/63/99/896306399.db2.gz YNLNOVJMDWKVFW-LBPRGKRZSA-N 1 3 275.393 -0.930 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001369518348 896306411 /nfs/dbraw/zinc/30/64/11/896306411.db2.gz YNLNOVJMDWKVFW-LBPRGKRZSA-N 1 3 275.393 -0.930 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001369572374 896318695 /nfs/dbraw/zinc/31/86/95/896318695.db2.gz OZNKQTPTQULRJK-WXRRBKDZSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001369624707 896325943 /nfs/dbraw/zinc/32/59/43/896325943.db2.gz UVOKUENSBAOECO-WXRRBKDZSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001370387593 896423267 /nfs/dbraw/zinc/42/32/67/896423267.db2.gz AMJDGYPJUBNQEB-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001370427575 896426026 /nfs/dbraw/zinc/42/60/26/896426026.db2.gz KFJIYWAIMIZHCL-QWHCGFSZSA-N 1 3 287.404 -0.476 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC ZINC001371412236 896604778 /nfs/dbraw/zinc/60/47/78/896604778.db2.gz WUWINNXGBSVVKR-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC ZINC001371412236 896604791 /nfs/dbraw/zinc/60/47/91/896604791.db2.gz WUWINNXGBSVVKR-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCC(N)=O ZINC001371472079 896620494 /nfs/dbraw/zinc/62/04/94/896620494.db2.gz ZUWHQAVBQGNCFQ-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371545393 896632170 /nfs/dbraw/zinc/63/21/70/896632170.db2.gz XOBSKVRHMLXSNH-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)[NH+](CC)CC ZINC001371533702 896632547 /nfs/dbraw/zinc/63/25/47/896632547.db2.gz KWGBPWCSRGTKEO-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001371610758 896641729 /nfs/dbraw/zinc/64/17/29/896641729.db2.gz DEROBKBGQCOASI-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001371889905 896674642 /nfs/dbraw/zinc/67/46/42/896674642.db2.gz VCWUVZJRLJFTMB-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)[NH+](C)C ZINC001372940869 896909983 /nfs/dbraw/zinc/90/99/83/896909983.db2.gz AYSWIRNXJDYDGW-WDEREUQCSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994110 896921659 /nfs/dbraw/zinc/92/16/59/896921659.db2.gz TZIFJPQVVIJQKX-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994110 896921667 /nfs/dbraw/zinc/92/16/67/896921667.db2.gz TZIFJPQVVIJQKX-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373612811 897068864 /nfs/dbraw/zinc/06/88/64/897068864.db2.gz AAJHKJZVKCYBKU-RWMBFGLXSA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373612811 897068878 /nfs/dbraw/zinc/06/88/78/897068878.db2.gz AAJHKJZVKCYBKU-RWMBFGLXSA-N 1 3 285.388 -0.864 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(N)=O ZINC001373821253 897129891 /nfs/dbraw/zinc/12/98/91/897129891.db2.gz MSBXOLOENRRBPS-WDEREUQCSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001373963347 897141572 /nfs/dbraw/zinc/14/15/72/897141572.db2.gz BAIYTFFHSAQYSD-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001373967671 897144561 /nfs/dbraw/zinc/14/45/61/897144561.db2.gz UEEQZLAOKHVABO-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC[N@H+]1C ZINC001373967671 897144574 /nfs/dbraw/zinc/14/45/74/897144574.db2.gz UEEQZLAOKHVABO-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001374017632 897155771 /nfs/dbraw/zinc/15/57/71/897155771.db2.gz WRMZGWGFSUZURL-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374281480 897200035 /nfs/dbraw/zinc/20/00/35/897200035.db2.gz OHPVHAPKOMSJDE-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374281480 897200046 /nfs/dbraw/zinc/20/00/46/897200046.db2.gz OHPVHAPKOMSJDE-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374281487 897201992 /nfs/dbraw/zinc/20/19/92/897201992.db2.gz OHPVHAPKOMSJDE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374281487 897202005 /nfs/dbraw/zinc/20/20/05/897202005.db2.gz OHPVHAPKOMSJDE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCC(N)=O)[NH+](C)C ZINC001374285580 897208256 /nfs/dbraw/zinc/20/82/56/897208256.db2.gz SCMDQQJDTLNGLR-ZYHUDNBSSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CN1CCCC1 ZINC001374324944 897209428 /nfs/dbraw/zinc/20/94/28/897209428.db2.gz GXWTXSJXASCTDD-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374312901 897210856 /nfs/dbraw/zinc/21/08/56/897210856.db2.gz MTEXBRJSQIPIIK-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374312901 897210873 /nfs/dbraw/zinc/21/08/73/897210873.db2.gz MTEXBRJSQIPIIK-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001374424005 897223234 /nfs/dbraw/zinc/22/32/34/897223234.db2.gz GFRKRMBCOBTAOO-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@@H](CNC(=O)CC[NH+](C)C)NCc1cnnn1C ZINC001374430754 897225284 /nfs/dbraw/zinc/22/52/84/897225284.db2.gz DZIBDIQKTVNOQU-CYBMUJFWSA-N 1 3 296.419 -0.003 20 0 CBADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001374442703 897230315 /nfs/dbraw/zinc/23/03/15/897230315.db2.gz FILWXWCIUMVFFN-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001374442703 897230334 /nfs/dbraw/zinc/23/03/34/897230334.db2.gz FILWXWCIUMVFFN-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001374560714 897261966 /nfs/dbraw/zinc/26/19/66/897261966.db2.gz DYVNUJPAOSHUTL-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780463 897384679 /nfs/dbraw/zinc/38/46/79/897384679.db2.gz MSRYSXGOOVBKOV-MNOVXSKESA-N 1 3 282.388 -0.417 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001374907590 897429952 /nfs/dbraw/zinc/42/99/52/897429952.db2.gz YGDMAIDXUCTYJL-GARJFASQSA-N 1 3 272.393 -0.445 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001374907594 897430587 /nfs/dbraw/zinc/43/05/87/897430587.db2.gz YGDMAIDXUCTYJL-HBNTYKKESA-N 1 3 272.393 -0.445 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001374950798 897437503 /nfs/dbraw/zinc/43/75/03/897437503.db2.gz IROGMQUWZCHFGS-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001374950798 897437511 /nfs/dbraw/zinc/43/75/11/897437511.db2.gz IROGMQUWZCHFGS-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374961475 897443641 /nfs/dbraw/zinc/44/36/41/897443641.db2.gz JSTCHLIFURUQDF-LBPRGKRZSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001375225816 897499117 /nfs/dbraw/zinc/49/91/17/897499117.db2.gz TZMJRJKBCCZOAT-JLLWLGSASA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001375225816 897499122 /nfs/dbraw/zinc/49/91/22/897499122.db2.gz TZMJRJKBCCZOAT-JLLWLGSASA-N 1 3 282.388 -0.704 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001375275436 897506727 /nfs/dbraw/zinc/50/67/27/897506727.db2.gz YLDQEBBWRKFQQH-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001375540850 897564233 /nfs/dbraw/zinc/56/42/33/897564233.db2.gz HQJDWVLEDAJRRV-AVGNSLFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624104 897578107 /nfs/dbraw/zinc/57/81/07/897578107.db2.gz XGEQNNYWALHSBG-UONOGXRCSA-N 1 3 299.415 -0.784 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624104 897578120 /nfs/dbraw/zinc/57/81/20/897578120.db2.gz XGEQNNYWALHSBG-UONOGXRCSA-N 1 3 299.415 -0.784 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624105 897578917 /nfs/dbraw/zinc/57/89/17/897578917.db2.gz XGEQNNYWALHSBG-ZIAGYGMSSA-N 1 3 299.415 -0.784 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624105 897578929 /nfs/dbraw/zinc/57/89/29/897578929.db2.gz XGEQNNYWALHSBG-ZIAGYGMSSA-N 1 3 299.415 -0.784 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376097496 897652684 /nfs/dbraw/zinc/65/26/84/897652684.db2.gz URNHMVGCVAYPJX-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376097496 897652692 /nfs/dbraw/zinc/65/26/92/897652692.db2.gz URNHMVGCVAYPJX-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCOC)C1)N(C)C ZINC001376100116 897654335 /nfs/dbraw/zinc/65/43/35/897654335.db2.gz ZSPPETSDOXMCHJ-GXTWGEPZSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1)N(C)C ZINC001376100116 897654341 /nfs/dbraw/zinc/65/43/41/897654341.db2.gz ZSPPETSDOXMCHJ-GXTWGEPZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328763 897714211 /nfs/dbraw/zinc/71/42/11/897714211.db2.gz HWEDMDWHYAZSQK-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001376365648 897720617 /nfs/dbraw/zinc/72/06/17/897720617.db2.gz KLATXTCMIGIUNM-HAQNSBGRSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001376394693 897722578 /nfs/dbraw/zinc/72/25/78/897722578.db2.gz DELSMCRLQNIBIO-GMTAPVOTSA-N 1 3 270.377 -0.691 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001376579486 897780989 /nfs/dbraw/zinc/78/09/89/897780989.db2.gz XWAZBLCBUHCKPI-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO NC(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001376735210 897827488 /nfs/dbraw/zinc/82/74/88/897827488.db2.gz BIOMITYKYYDMKC-LBPRGKRZSA-N 1 3 294.399 -0.558 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001376801022 897849729 /nfs/dbraw/zinc/84/97/29/897849729.db2.gz MHJPDMHLQDTLSC-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001376804588 897854350 /nfs/dbraw/zinc/85/43/50/897854350.db2.gz CWJXQSLXQGNHMO-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001376816135 897856019 /nfs/dbraw/zinc/85/60/19/897856019.db2.gz ZLYSERDLEBVKRU-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376933625 897894138 /nfs/dbraw/zinc/89/41/38/897894138.db2.gz WBPRMHRCQIOZKO-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001376930068 897895133 /nfs/dbraw/zinc/89/51/33/897895133.db2.gz AHVFCILZTRBHLM-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001376970307 897904960 /nfs/dbraw/zinc/90/49/60/897904960.db2.gz XTTGYWRZWKAKLT-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001377266625 897995759 /nfs/dbraw/zinc/99/57/59/897995759.db2.gz OFKINYBFBZGSMC-OLZOCXBDSA-N 1 3 298.431 -0.149 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001377450678 898052608 /nfs/dbraw/zinc/05/26/08/898052608.db2.gz RMFDJBLWAQXRDQ-QJPTWQEYSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001377449950 898052946 /nfs/dbraw/zinc/05/29/46/898052946.db2.gz KXJDKRWBZJIZHN-QJPTWQEYSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001377449035 898055210 /nfs/dbraw/zinc/05/52/10/898055210.db2.gz FVHNEHDUHAIXNH-GARJFASQSA-N 1 3 272.393 -0.315 20 0 CBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001377485425 898061685 /nfs/dbraw/zinc/06/16/85/898061685.db2.gz XHNPYGMTXNLFSZ-YNEHKIRRSA-N 1 3 298.431 -0.055 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001377488724 898064215 /nfs/dbraw/zinc/06/42/15/898064215.db2.gz QPBJFGBAJZKPTE-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001377580436 898093639 /nfs/dbraw/zinc/09/36/39/898093639.db2.gz LFPDCQLANGYLOO-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597091 898101385 /nfs/dbraw/zinc/10/13/85/898101385.db2.gz JGBYHVFAXOYJSW-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597091 898101390 /nfs/dbraw/zinc/10/13/90/898101390.db2.gz JGBYHVFAXOYJSW-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596369 898103258 /nfs/dbraw/zinc/10/32/58/898103258.db2.gz HLDAKVSQTARHJQ-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596369 898103266 /nfs/dbraw/zinc/10/32/66/898103266.db2.gz HLDAKVSQTARHJQ-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377804784 898139919 /nfs/dbraw/zinc/13/99/19/898139919.db2.gz AHMIECHBSGMKOT-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377841283 898146127 /nfs/dbraw/zinc/14/61/27/898146127.db2.gz WCJDNJGFWMMZBB-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001377864716 898153135 /nfs/dbraw/zinc/15/31/35/898153135.db2.gz HMQWEUNNIMUUHP-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001378336617 898316206 /nfs/dbraw/zinc/31/62/06/898316206.db2.gz HXWZWMBBUCTCGY-QWRGUYRKSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001378344183 898322356 /nfs/dbraw/zinc/32/23/56/898322356.db2.gz OZSWNOHVJOMSDZ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001378344183 898322368 /nfs/dbraw/zinc/32/23/68/898322368.db2.gz OZSWNOHVJOMSDZ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001378725444 898394925 /nfs/dbraw/zinc/39/49/25/898394925.db2.gz OJANEPBIBFSLKP-SYQHCUMBSA-N 1 3 281.400 -0.386 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001378725444 898394933 /nfs/dbraw/zinc/39/49/33/898394933.db2.gz OJANEPBIBFSLKP-SYQHCUMBSA-N 1 3 281.400 -0.386 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818085 898416439 /nfs/dbraw/zinc/41/64/39/898416439.db2.gz ZQIFSGJMBPVZMG-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378858045 898422842 /nfs/dbraw/zinc/42/28/42/898422842.db2.gz ZVAYMDAZUJSNQZ-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378858045 898422847 /nfs/dbraw/zinc/42/28/47/898422847.db2.gz ZVAYMDAZUJSNQZ-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378906749 898429459 /nfs/dbraw/zinc/42/94/59/898429459.db2.gz WHZCPLYTBGSAMQ-NSHDSACASA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001454740228 914252655 /nfs/dbraw/zinc/25/26/55/914252655.db2.gz OGEJWZOIKFNUBK-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001379237595 898516447 /nfs/dbraw/zinc/51/64/47/898516447.db2.gz IICDQUFGWYHVMI-CYBMUJFWSA-N 1 3 297.403 -0.753 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2ccccn2)C1 ZINC001379290165 898540522 /nfs/dbraw/zinc/54/05/22/898540522.db2.gz QYPWVNGQZPBEIM-GXTWGEPZSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2ccccn2)C1 ZINC001379290165 898540534 /nfs/dbraw/zinc/54/05/34/898540534.db2.gz QYPWVNGQZPBEIM-GXTWGEPZSA-N 1 3 292.383 -0.400 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379356155 898572281 /nfs/dbraw/zinc/57/22/81/898572281.db2.gz GFAVTOSZJWQNGL-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379356155 898572290 /nfs/dbraw/zinc/57/22/90/898572290.db2.gz GFAVTOSZJWQNGL-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001379413525 898607533 /nfs/dbraw/zinc/60/75/33/898607533.db2.gz HSVAUMKSURCIRX-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001379451267 898617758 /nfs/dbraw/zinc/61/77/58/898617758.db2.gz OKNQVHHUHPEYNG-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001379466971 898625039 /nfs/dbraw/zinc/62/50/39/898625039.db2.gz NXAFJGWSOBJPIJ-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379513726 898650304 /nfs/dbraw/zinc/65/03/04/898650304.db2.gz GIPRLYJTTNWEOA-DMDPSCGWSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379513726 898650317 /nfs/dbraw/zinc/65/03/17/898650317.db2.gz GIPRLYJTTNWEOA-DMDPSCGWSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379518832 898654827 /nfs/dbraw/zinc/65/48/27/898654827.db2.gz JTSWRCHHAKXHSI-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001379518832 898654833 /nfs/dbraw/zinc/65/48/33/898654833.db2.gz JTSWRCHHAKXHSI-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379536143 898662275 /nfs/dbraw/zinc/66/22/75/898662275.db2.gz NSPRRTDRZTUYRP-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001379592256 898678400 /nfs/dbraw/zinc/67/84/00/898678400.db2.gz BNXUXUYUKONTBE-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CN1CC[C@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283127 898853273 /nfs/dbraw/zinc/85/32/73/898853273.db2.gz GDEXBEUTNYMQFP-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001380289374 898853455 /nfs/dbraw/zinc/85/34/55/898853455.db2.gz JMIHUCJVZBRERE-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001380289374 898853469 /nfs/dbraw/zinc/85/34/69/898853469.db2.gz JMIHUCJVZBRERE-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380539420 898891495 /nfs/dbraw/zinc/89/14/95/898891495.db2.gz UMRLWPKGGPRNGG-DZGCQCFKSA-N 1 3 299.415 -0.594 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380539420 898891507 /nfs/dbraw/zinc/89/15/07/898891507.db2.gz UMRLWPKGGPRNGG-DZGCQCFKSA-N 1 3 299.415 -0.594 20 0 CBADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001381131259 899001378 /nfs/dbraw/zinc/00/13/78/899001378.db2.gz UWGPBDBAQMATME-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437054 899052087 /nfs/dbraw/zinc/05/20/87/899052087.db2.gz KPKGMKNGNPMUNP-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001381806510 899114614 /nfs/dbraw/zinc/11/46/14/899114614.db2.gz PTYSXUQXBAHCFA-YPMHNXCESA-N 1 3 287.404 -0.618 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001382112383 899157695 /nfs/dbraw/zinc/15/76/95/899157695.db2.gz LRPBYNSHRJGQSC-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001382581646 899334702 /nfs/dbraw/zinc/33/47/02/899334702.db2.gz HIEJNDRRCXDEGJ-BPCQOVAHSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001382581649 899335285 /nfs/dbraw/zinc/33/52/85/899335285.db2.gz HIEJNDRRCXDEGJ-WXRRBKDZSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385075741 899543305 /nfs/dbraw/zinc/54/33/05/899543305.db2.gz LWJKGJXFAWOQIL-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001387796398 899832068 /nfs/dbraw/zinc/83/20/68/899832068.db2.gz GARVNHQBXDNRLQ-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001387809109 899835300 /nfs/dbraw/zinc/83/53/00/899835300.db2.gz CZIPMJRPFCJRRT-GFCCVEGCSA-N 1 3 284.404 -0.395 20 0 CBADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001388115730 899869630 /nfs/dbraw/zinc/86/96/30/899869630.db2.gz GHMZWRRSHDORQN-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001388115730 899869634 /nfs/dbraw/zinc/86/96/34/899869634.db2.gz GHMZWRRSHDORQN-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001389769334 900067279 /nfs/dbraw/zinc/06/72/79/900067279.db2.gz BFHIYAVQKIKKQD-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001389769360 900068085 /nfs/dbraw/zinc/06/80/85/900068085.db2.gz BFHIYAVQKIKKQD-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001389902408 900089262 /nfs/dbraw/zinc/08/92/62/900089262.db2.gz WGVXBNPPPVDGMG-OBJOEFQTSA-N 1 3 298.431 -0.102 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001390015180 900104155 /nfs/dbraw/zinc/10/41/55/900104155.db2.gz YYUOLWNUZHGSPN-MXWKQRLJSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001390012529 900104597 /nfs/dbraw/zinc/10/45/97/900104597.db2.gz RWUIBJNHMZDLQA-CHWFTXMASA-N 1 3 270.377 -0.563 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390374013 900148409 /nfs/dbraw/zinc/14/84/09/900148409.db2.gz PLDQAUBYVJVLDR-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390374013 900148413 /nfs/dbraw/zinc/14/84/13/900148413.db2.gz PLDQAUBYVJVLDR-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390433867 900158094 /nfs/dbraw/zinc/15/80/94/900158094.db2.gz OAHMYPLCVREMCF-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390433867 900158098 /nfs/dbraw/zinc/15/80/98/900158098.db2.gz OAHMYPLCVREMCF-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462737 900167323 /nfs/dbraw/zinc/16/73/23/900167323.db2.gz NHNZOJWRQFPICZ-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001390510069 900178745 /nfs/dbraw/zinc/17/87/45/900178745.db2.gz OEIWDOKNXDBIOF-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390516263 900180692 /nfs/dbraw/zinc/18/06/92/900180692.db2.gz XNTYITACLVMPFB-RYUDHWBXSA-N 1 3 299.419 -0.554 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390548663 900187426 /nfs/dbraw/zinc/18/74/26/900187426.db2.gz CPDKYLDHJDPQFK-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001390667531 900206543 /nfs/dbraw/zinc/20/65/43/900206543.db2.gz VBNMJYGAVVXANR-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CCCO)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390838247 900262088 /nfs/dbraw/zinc/26/20/88/900262088.db2.gz AZORDOKHSFSILE-UHFFFAOYSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001391211667 900339083 /nfs/dbraw/zinc/33/90/83/900339083.db2.gz RCXDJUVPKVAJKC-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226461 900344138 /nfs/dbraw/zinc/34/41/38/900344138.db2.gz IOTRFVHKRQKVKA-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226461 900344144 /nfs/dbraw/zinc/34/41/44/900344144.db2.gz IOTRFVHKRQKVKA-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001391228921 900347783 /nfs/dbraw/zinc/34/77/83/900347783.db2.gz SBGANVHQGMSYEA-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001391228921 900347796 /nfs/dbraw/zinc/34/77/96/900347796.db2.gz SBGANVHQGMSYEA-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391543662 900407009 /nfs/dbraw/zinc/40/70/09/900407009.db2.gz GGMVFBLNNOSWPW-ZOBORPQBSA-N 1 3 299.415 -0.476 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391543662 900407013 /nfs/dbraw/zinc/40/70/13/900407013.db2.gz GGMVFBLNNOSWPW-ZOBORPQBSA-N 1 3 299.415 -0.476 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392066877 900504972 /nfs/dbraw/zinc/50/49/72/900504972.db2.gz WKKHUSDTSULFIA-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001392125327 900518786 /nfs/dbraw/zinc/51/87/86/900518786.db2.gz WRAIJWFMKZKQAT-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001392125327 900518799 /nfs/dbraw/zinc/51/87/99/900518799.db2.gz WRAIJWFMKZKQAT-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCCN1C ZINC001392437394 900617639 /nfs/dbraw/zinc/61/76/39/900617639.db2.gz BWMOCRUVIUQHQX-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001392455138 900622666 /nfs/dbraw/zinc/62/26/66/900622666.db2.gz RNXNANQMYNLRFZ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392504673 900640489 /nfs/dbraw/zinc/64/04/89/900640489.db2.gz MLYZJXHCNHUVAS-RHYQMDGZSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392504673 900640498 /nfs/dbraw/zinc/64/04/98/900640498.db2.gz MLYZJXHCNHUVAS-RHYQMDGZSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392506057 900641766 /nfs/dbraw/zinc/64/17/66/900641766.db2.gz SHUCXVDYJVMQCD-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(N)=O)[NH+]1CCCC1 ZINC001392618785 900676989 /nfs/dbraw/zinc/67/69/89/900676989.db2.gz MZVKAHYQGNDZKF-WCQYABFASA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)[NH+]1CCCC1 ZINC001392618782 900678546 /nfs/dbraw/zinc/67/85/46/900678546.db2.gz MZVKAHYQGNDZKF-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001392609252 900678751 /nfs/dbraw/zinc/67/87/51/900678751.db2.gz VGYURMWOOUVQQW-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001392760987 900718703 /nfs/dbraw/zinc/71/87/03/900718703.db2.gz ALDDAWDATIBAAU-ZWNOBZJWSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392797603 900726783 /nfs/dbraw/zinc/72/67/83/900726783.db2.gz FTOTZYNNJCTEKN-CHWSQXEVSA-N 1 3 296.415 -0.301 20 0 CBADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814324 900731902 /nfs/dbraw/zinc/73/19/02/900731902.db2.gz UOCDXZUUDIJODD-OLZOCXBDSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814324 900731907 /nfs/dbraw/zinc/73/19/07/900731907.db2.gz UOCDXZUUDIJODD-OLZOCXBDSA-N 1 3 296.415 -0.489 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001392822464 900733949 /nfs/dbraw/zinc/73/39/49/900733949.db2.gz GZELUMCKVNDZHJ-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001392822464 900733956 /nfs/dbraw/zinc/73/39/56/900733956.db2.gz GZELUMCKVNDZHJ-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(N)=O)CC1 ZINC001392905937 900757484 /nfs/dbraw/zinc/75/74/84/900757484.db2.gz GQYDVERDGZXQGW-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(N)=O)CC1 ZINC001392905937 900757498 /nfs/dbraw/zinc/75/74/98/900757498.db2.gz GQYDVERDGZXQGW-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001393050833 900785600 /nfs/dbraw/zinc/78/56/00/900785600.db2.gz BSVZEXHEMCBAGF-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001393050833 900785605 /nfs/dbraw/zinc/78/56/05/900785605.db2.gz BSVZEXHEMCBAGF-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001393055723 900787253 /nfs/dbraw/zinc/78/72/53/900787253.db2.gz ZZLQKAJHXXGTFM-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001393053224 900787647 /nfs/dbraw/zinc/78/76/47/900787647.db2.gz LNECXPOSRHJAEF-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+](C)C ZINC001393058905 900787848 /nfs/dbraw/zinc/78/78/48/900787848.db2.gz QWTGGSWWSYCLSG-YPMHNXCESA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393380951 900849787 /nfs/dbraw/zinc/84/97/87/900849787.db2.gz BNKOHHGHRWXDFY-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)N(C)C ZINC001393815522 900912051 /nfs/dbraw/zinc/91/20/51/900912051.db2.gz KFYZGHGYCGLDGD-QJPTWQEYSA-N 1 3 286.420 -0.069 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001394376274 901019997 /nfs/dbraw/zinc/01/99/97/901019997.db2.gz RNXVPFWBTPGRPV-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(N)=O ZINC001394507120 901043434 /nfs/dbraw/zinc/04/34/34/901043434.db2.gz SYUPOXUNJGTIAH-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001394519665 901043527 /nfs/dbraw/zinc/04/35/27/901043527.db2.gz MQSNOPPJZNQQPA-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394761262 901143438 /nfs/dbraw/zinc/14/34/38/901143438.db2.gz ZFXFSSUJVHXXQE-CMPLNLGQSA-N 1 3 284.360 -0.604 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001397700208 901447259 /nfs/dbraw/zinc/44/72/59/901447259.db2.gz RGVAGALFESKNQQ-IJLUTSLNSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001398444669 901539605 /nfs/dbraw/zinc/53/96/05/901539605.db2.gz HSCIKZDGYIPGIP-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001398443691 901541177 /nfs/dbraw/zinc/54/11/77/901541177.db2.gz GDLVGOINBHUERR-JSGCOSHPSA-N 1 3 298.431 -0.197 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001398443687 901541282 /nfs/dbraw/zinc/54/12/82/901541282.db2.gz GDLVGOINBHUERR-GXTWGEPZSA-N 1 3 298.431 -0.197 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001398536543 901553843 /nfs/dbraw/zinc/55/38/43/901553843.db2.gz KWVTVKHSXNIGSM-GMTAPVOTSA-N 1 3 288.367 -0.612 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCCS(C)(=O)=O)C1 ZINC001398555686 901558750 /nfs/dbraw/zinc/55/87/50/901558750.db2.gz OPZFKWVGQCEJNM-XYPYZODXSA-N 1 3 291.417 -0.781 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398616031 901576929 /nfs/dbraw/zinc/57/69/29/901576929.db2.gz FDIJKYWRHGXWED-FRRDWIJNSA-N 1 3 299.415 -0.285 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001398632280 901578056 /nfs/dbraw/zinc/57/80/56/901578056.db2.gz ZCECHJDIBDVJQJ-KXNHARMFSA-N 1 3 282.388 -0.548 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001398633958 901579566 /nfs/dbraw/zinc/57/95/66/901579566.db2.gz HSWHIDUDWMERLC-WCQYABFASA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001398633958 901579572 /nfs/dbraw/zinc/57/95/72/901579572.db2.gz HSWHIDUDWMERLC-WCQYABFASA-N 1 3 296.415 -0.395 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001398697996 901591245 /nfs/dbraw/zinc/59/12/45/901591245.db2.gz VBHKUYXVXZMPQO-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001398697996 901591251 /nfs/dbraw/zinc/59/12/51/901591251.db2.gz VBHKUYXVXZMPQO-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001398793035 901602549 /nfs/dbraw/zinc/60/25/49/901602549.db2.gz BYLFSTHTXJSNRK-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCNC1=O ZINC001399022579 901652532 /nfs/dbraw/zinc/65/25/32/901652532.db2.gz FRJBCWDRJMXPBW-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001399187759 901680002 /nfs/dbraw/zinc/68/00/02/901680002.db2.gz VJCMKASXWQNWPJ-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001399177156 901681299 /nfs/dbraw/zinc/68/12/99/901681299.db2.gz VSJCTMDQYOYPMV-QWRGUYRKSA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001399226066 901683626 /nfs/dbraw/zinc/68/36/26/901683626.db2.gz AKSLKSBHISZNDT-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399249759 901688917 /nfs/dbraw/zinc/68/89/17/901688917.db2.gz WZJNYOJWRVTKPQ-GXTWGEPZSA-N 1 3 298.431 -0.243 20 0 CBADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001399670654 901771035 /nfs/dbraw/zinc/77/10/35/901771035.db2.gz MAPDDXJGRBMIRE-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001400053514 901865856 /nfs/dbraw/zinc/86/58/56/901865856.db2.gz NUHYYAPYPGCWPA-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001400053514 901865866 /nfs/dbraw/zinc/86/58/66/901865866.db2.gz NUHYYAPYPGCWPA-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001400063725 901871517 /nfs/dbraw/zinc/87/15/17/901871517.db2.gz FYDRHLSJKSPXRV-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400808554 902021210 /nfs/dbraw/zinc/02/12/10/902021210.db2.gz PMMQZRUVDDJUNK-UHFFFAOYSA-N 1 3 293.371 -0.427 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400896168 902031462 /nfs/dbraw/zinc/03/14/62/902031462.db2.gz CBUXTFGLZIRHRE-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001401190851 902077285 /nfs/dbraw/zinc/07/72/85/902077285.db2.gz ZKSHUJKNLILQEY-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001401190851 902077294 /nfs/dbraw/zinc/07/72/94/902077294.db2.gz ZKSHUJKNLILQEY-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO Cc1nc([C@@H](C)NC[C@@H](O)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001401562118 902169149 /nfs/dbraw/zinc/16/91/49/902169149.db2.gz SZQMRRVJIDEJKK-MWLCHTKSSA-N 1 3 298.391 -0.807 20 0 CBADHO CC[C@@H](NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401641447 902203691 /nfs/dbraw/zinc/20/36/91/902203691.db2.gz WKJQFTCVUGHULY-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001401684499 902228925 /nfs/dbraw/zinc/22/89/25/902228925.db2.gz CTOQVUXREXAYPP-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001401688753 902230071 /nfs/dbraw/zinc/23/00/71/902230071.db2.gz VDFRFIQGODHBJU-XQQFMLRXSA-N 1 3 298.431 -0.055 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001401684498 902230369 /nfs/dbraw/zinc/23/03/69/902230369.db2.gz CTOQVUXREXAYPP-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401718895 902246199 /nfs/dbraw/zinc/24/61/99/902246199.db2.gz CDWRNIAYBKHYQL-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401718895 902246215 /nfs/dbraw/zinc/24/62/15/902246215.db2.gz CDWRNIAYBKHYQL-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001401860480 902294487 /nfs/dbraw/zinc/29/44/87/902294487.db2.gz DQOHALOPMDMXGG-QWRGUYRKSA-N 1 3 270.377 -0.704 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001402086127 902353284 /nfs/dbraw/zinc/35/32/84/902353284.db2.gz ZTWCPFANHGCVOQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001402086127 902353291 /nfs/dbraw/zinc/35/32/91/902353291.db2.gz ZTWCPFANHGCVOQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001402097350 902356668 /nfs/dbraw/zinc/35/66/68/902356668.db2.gz LRZJLAPDUBLBFD-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402225888 902387437 /nfs/dbraw/zinc/38/74/37/902387437.db2.gz HFRHDPQTKWMJLZ-OLZOCXBDSA-N 1 3 297.399 -0.720 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001402413484 902444817 /nfs/dbraw/zinc/44/48/17/902444817.db2.gz FSKLVKUBACYRBR-QWRGUYRKSA-N 1 3 293.371 -0.618 20 0 CBADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001402445635 902452466 /nfs/dbraw/zinc/45/24/66/902452466.db2.gz RLUNLGDCSHUZAF-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)CC[N@@H+]1C ZINC001402439269 902453080 /nfs/dbraw/zinc/45/30/80/902453080.db2.gz SNGWXAYFFAHZQN-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)CC[N@H+]1C ZINC001402439269 902453086 /nfs/dbraw/zinc/45/30/86/902453086.db2.gz SNGWXAYFFAHZQN-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001402462038 902455065 /nfs/dbraw/zinc/45/50/65/902455065.db2.gz LGZRZPQSMNEQMK-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001402462038 902455076 /nfs/dbraw/zinc/45/50/76/902455076.db2.gz LGZRZPQSMNEQMK-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001402858178 902542770 /nfs/dbraw/zinc/54/27/70/902542770.db2.gz CJQRZLFMSGQUIE-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001403040618 902599887 /nfs/dbraw/zinc/59/98/87/902599887.db2.gz JOGSIKYMYOJVTJ-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)CC[NH+](C)C ZINC001403056271 902601916 /nfs/dbraw/zinc/60/19/16/902601916.db2.gz WSOGVACXIRVZCS-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057585 902602672 /nfs/dbraw/zinc/60/26/72/902602672.db2.gz CKLCOFNHRQQEBB-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001403083431 902608475 /nfs/dbraw/zinc/60/84/75/902608475.db2.gz LFDKDBYTQBJDJE-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001403107070 902617150 /nfs/dbraw/zinc/61/71/50/902617150.db2.gz RXUIPCMPECKQNZ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001403145718 902628020 /nfs/dbraw/zinc/62/80/20/902628020.db2.gz UWNQTCYEPRJWDK-ONGXEEELSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001403145718 902628025 /nfs/dbraw/zinc/62/80/25/902628025.db2.gz UWNQTCYEPRJWDK-ONGXEEELSA-N 1 3 280.376 -0.341 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403199728 902648719 /nfs/dbraw/zinc/64/87/19/902648719.db2.gz WZJAZHLSJIEZMR-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279463 902661788 /nfs/dbraw/zinc/66/17/88/902661788.db2.gz COLPQBXRJVMVMI-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001458410838 914648877 /nfs/dbraw/zinc/64/88/77/914648877.db2.gz GNFPERJIAMVVAE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001458410838 914648881 /nfs/dbraw/zinc/64/88/81/914648881.db2.gz GNFPERJIAMVVAE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001458410836 914649802 /nfs/dbraw/zinc/64/98/02/914649802.db2.gz GNFPERJIAMVVAE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001458410836 914649812 /nfs/dbraw/zinc/64/98/12/914649812.db2.gz GNFPERJIAMVVAE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001403543656 902724363 /nfs/dbraw/zinc/72/43/63/902724363.db2.gz YUFFWPCWEDWEPB-NEPJUHHUSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001403598471 902746306 /nfs/dbraw/zinc/74/63/06/902746306.db2.gz ZGBZQNJAEBIIQE-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001403619441 902752245 /nfs/dbraw/zinc/75/22/45/902752245.db2.gz YRBZJZYSIZDNIB-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+]1CCC(OCC(=O)NCCN(CCO)C2CC2)CC1 ZINC001404261827 902961359 /nfs/dbraw/zinc/96/13/59/902961359.db2.gz FSORAHYOARMKRY-UHFFFAOYSA-N 1 3 299.415 -0.330 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404312829 902971013 /nfs/dbraw/zinc/97/10/13/902971013.db2.gz ACPUTLXKKOZNJU-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001404521857 902996147 /nfs/dbraw/zinc/99/61/47/902996147.db2.gz WIAMUSSUWFWJKM-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001404521857 902996155 /nfs/dbraw/zinc/99/61/55/902996155.db2.gz WIAMUSSUWFWJKM-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001405069548 903077656 /nfs/dbraw/zinc/07/76/56/903077656.db2.gz RNKYWSPMZMLAPU-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001405069548 903077672 /nfs/dbraw/zinc/07/76/72/903077672.db2.gz RNKYWSPMZMLAPU-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001405069550 903081183 /nfs/dbraw/zinc/08/11/83/903081183.db2.gz RNKYWSPMZMLAPU-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405069550 903081193 /nfs/dbraw/zinc/08/11/93/903081193.db2.gz RNKYWSPMZMLAPU-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405717569 903208593 /nfs/dbraw/zinc/20/85/93/903208593.db2.gz LFGBILWEXPMIAZ-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO NC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001405774785 903217479 /nfs/dbraw/zinc/21/74/79/903217479.db2.gz RRKWPQFLOBYWHU-UHFFFAOYSA-N 1 3 294.399 -0.414 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001405849939 903239128 /nfs/dbraw/zinc/23/91/28/903239128.db2.gz OZIYIXPGCSIZEV-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(N)=O ZINC001406046713 903259434 /nfs/dbraw/zinc/25/94/34/903259434.db2.gz UCMCBCPFFGYMAB-AAEUAGOBSA-N 1 3 286.420 -0.212 20 0 CBADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001406407997 903396055 /nfs/dbraw/zinc/39/60/55/903396055.db2.gz QOONQQCQGICDLF-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001406516191 903423146 /nfs/dbraw/zinc/42/31/46/903423146.db2.gz CXGSEKAWQRPBID-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406561981 903435448 /nfs/dbraw/zinc/43/54/48/903435448.db2.gz ONBFDWOBWLBZIF-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406561981 903435452 /nfs/dbraw/zinc/43/54/52/903435452.db2.gz ONBFDWOBWLBZIF-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001407116226 903546400 /nfs/dbraw/zinc/54/64/00/903546400.db2.gz MMVCVZVYFCKCLW-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC[N@H+]1C ZINC001407116226 903546408 /nfs/dbraw/zinc/54/64/08/903546408.db2.gz MMVCVZVYFCKCLW-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001407537646 903625938 /nfs/dbraw/zinc/62/59/38/903625938.db2.gz HLXGWOSFHYKTNG-RYUDHWBXSA-N 1 3 284.404 -0.362 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001408092299 903709303 /nfs/dbraw/zinc/70/93/03/903709303.db2.gz LNKVWXCKKIWLDX-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001408183714 903728484 /nfs/dbraw/zinc/72/84/84/903728484.db2.gz FNPYJYZCQDBTFA-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001409054940 903839493 /nfs/dbraw/zinc/83/94/93/903839493.db2.gz KZHLWQIVLSMZOG-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001409176513 903863918 /nfs/dbraw/zinc/86/39/18/903863918.db2.gz CKDXHIJNRWGMNK-CYBMUJFWSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001410430972 904096493 /nfs/dbraw/zinc/09/64/93/904096493.db2.gz GWXKPTVNEAREOG-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001410445563 904103233 /nfs/dbraw/zinc/10/32/33/904103233.db2.gz WIZOCTXKCQFKQD-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001410652271 904150326 /nfs/dbraw/zinc/15/03/26/904150326.db2.gz JDLVKZHITVPNQZ-QWHCGFSZSA-N 1 3 299.415 -0.426 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410888137 904199922 /nfs/dbraw/zinc/19/99/22/904199922.db2.gz RMMAYQWATAAMRE-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001410999321 904222532 /nfs/dbraw/zinc/22/25/32/904222532.db2.gz WMISTDMNIMEVIV-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001410999306 904223735 /nfs/dbraw/zinc/22/37/35/904223735.db2.gz WMISTDMNIMEVIV-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1nccc1N ZINC001413268042 904986895 /nfs/dbraw/zinc/98/68/95/904986895.db2.gz SOUYQDAIYPTDJH-LBPRGKRZSA-N 1 3 296.419 -0.147 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1nccc1N ZINC001413268042 904986903 /nfs/dbraw/zinc/98/69/03/904986903.db2.gz SOUYQDAIYPTDJH-LBPRGKRZSA-N 1 3 296.419 -0.147 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001417811975 906059208 /nfs/dbraw/zinc/05/92/08/906059208.db2.gz GXVNIAVDLIKJMW-TUAOUCFPSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001417815875 906059890 /nfs/dbraw/zinc/05/98/90/906059890.db2.gz ULMLREYWWDSPCP-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1cncn1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001417880110 906088387 /nfs/dbraw/zinc/08/83/87/906088387.db2.gz XDUUKOGSWRRTQZ-UHFFFAOYSA-N 1 3 291.399 -0.103 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418142984 906179732 /nfs/dbraw/zinc/17/97/32/906179732.db2.gz HUXXECFGWAXENT-LLVKDONJSA-N 1 3 293.371 -0.474 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001418264628 906248162 /nfs/dbraw/zinc/24/81/62/906248162.db2.gz CVFAPYPFZAKBMH-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCC1 ZINC001418274743 906255545 /nfs/dbraw/zinc/25/55/45/906255545.db2.gz YFNUECZFSBMXIS-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001418328444 906283960 /nfs/dbraw/zinc/28/39/60/906283960.db2.gz NSCWIUTVMVCQRF-QWHCGFSZSA-N 1 3 294.399 -0.735 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418347033 906292698 /nfs/dbraw/zinc/29/26/98/906292698.db2.gz CDIUIRHJVUYMLF-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418351629 906295483 /nfs/dbraw/zinc/29/54/83/906295483.db2.gz WZJNYOJWRVTKPQ-OCCSQVGLSA-N 1 3 298.431 -0.243 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001418827132 906489801 /nfs/dbraw/zinc/48/98/01/906489801.db2.gz LHHWCVLZLCWOBL-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(CC(N)=O)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001418946472 906524316 /nfs/dbraw/zinc/52/43/16/906524316.db2.gz MAIMGHGAIAKORS-UHFFFAOYSA-N 1 3 284.404 -0.406 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001419201672 906637035 /nfs/dbraw/zinc/63/70/35/906637035.db2.gz SRUGXVARPPNKBI-NEPJUHHUSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001419201676 906638411 /nfs/dbraw/zinc/63/84/11/906638411.db2.gz SRUGXVARPPNKBI-RYUDHWBXSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001419223449 906640070 /nfs/dbraw/zinc/64/00/70/906640070.db2.gz QETUMDOQTATOBX-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001419223449 906640074 /nfs/dbraw/zinc/64/00/74/906640074.db2.gz QETUMDOQTATOBX-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001419315267 906662269 /nfs/dbraw/zinc/66/22/69/906662269.db2.gz AKQKONQKDQFKOU-AAEUAGOBSA-N 1 3 298.431 -0.055 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001419424332 906685171 /nfs/dbraw/zinc/68/51/71/906685171.db2.gz WHHWDOSGWKKRSW-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H](C)C(N)=O ZINC001419465074 906695848 /nfs/dbraw/zinc/69/58/48/906695848.db2.gz DDYZTOGIXOMTFM-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001419490229 906705112 /nfs/dbraw/zinc/70/51/12/906705112.db2.gz YIZFTAPFTUPAPU-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)C(N)=O ZINC001419693995 906770110 /nfs/dbraw/zinc/77/01/10/906770110.db2.gz AEFMLSOLEGPWNU-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572558 906733922 /nfs/dbraw/zinc/73/39/22/906733922.db2.gz SNWMYWNAQMHBLE-CHWSQXEVSA-N 1 3 296.415 -0.358 20 0 CBADHO C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNCC(N)=O)CC1 ZINC001419617998 906740608 /nfs/dbraw/zinc/74/06/08/906740608.db2.gz KFHZCZSIHBUGLK-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001419679933 906766304 /nfs/dbraw/zinc/76/63/04/906766304.db2.gz IRTAIMLNGSZIIM-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001419755510 906808762 /nfs/dbraw/zinc/80/87/62/906808762.db2.gz QYHLYXHDXPGSHM-YPMHNXCESA-N 1 3 286.420 -0.245 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001419755505 906809268 /nfs/dbraw/zinc/80/92/68/906809268.db2.gz QYHLYXHDXPGSHM-AAEUAGOBSA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001419778407 906810537 /nfs/dbraw/zinc/81/05/37/906810537.db2.gz PXRQAOKKQIPSBR-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419780601 906812567 /nfs/dbraw/zinc/81/25/67/906812567.db2.gz VJEHFFKCFBFZJY-MNOVXSKESA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H](C)C(N)=O ZINC001419834238 906826714 /nfs/dbraw/zinc/82/67/14/906826714.db2.gz VYYQTVDQIWOQIX-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001419831506 906829547 /nfs/dbraw/zinc/82/95/47/906829547.db2.gz GNPCTTZPWJZKGY-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419891732 906849417 /nfs/dbraw/zinc/84/94/17/906849417.db2.gz CNCWJDXDLWVVHP-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419891732 906849430 /nfs/dbraw/zinc/84/94/30/906849430.db2.gz CNCWJDXDLWVVHP-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001419962279 906873175 /nfs/dbraw/zinc/87/31/75/906873175.db2.gz IQDLCURUSQISKD-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001420172025 906986998 /nfs/dbraw/zinc/98/69/98/906986998.db2.gz IHQAFUDXVAJLOU-STQMWFEESA-N 1 3 297.403 -0.673 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420219255 907027162 /nfs/dbraw/zinc/02/71/62/907027162.db2.gz VSBOLCNBCVUYGV-KGLIPLIRSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@H](O)C[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001420242362 907039792 /nfs/dbraw/zinc/03/97/92/907039792.db2.gz DMSBPYGVRIWRMZ-GFCCVEGCSA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@H](O)C[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001420242362 907039808 /nfs/dbraw/zinc/03/98/08/907039808.db2.gz DMSBPYGVRIWRMZ-GFCCVEGCSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001420247316 907043080 /nfs/dbraw/zinc/04/30/80/907043080.db2.gz DPHJQUZPMFWUPJ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420247316 907043087 /nfs/dbraw/zinc/04/30/87/907043087.db2.gz DPHJQUZPMFWUPJ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001420298913 907082300 /nfs/dbraw/zinc/08/23/00/907082300.db2.gz JWEMEGUTHMKYIG-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420326118 907102017 /nfs/dbraw/zinc/10/20/17/907102017.db2.gz XFESPMYBEUFISX-VOAKCMCISA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420326118 907102022 /nfs/dbraw/zinc/10/20/22/907102022.db2.gz XFESPMYBEUFISX-VOAKCMCISA-N 1 3 296.415 -0.301 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420338508 907108836 /nfs/dbraw/zinc/10/88/36/907108836.db2.gz JBZGYJPFWPNXEL-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001420336543 907109127 /nfs/dbraw/zinc/10/91/27/907109127.db2.gz BFTJRTAPXJSTEQ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420340168 907109457 /nfs/dbraw/zinc/10/94/57/907109457.db2.gz OBJJWSFIVCRGKF-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001420952297 907369869 /nfs/dbraw/zinc/36/98/69/907369869.db2.gz WXQJNBZLANWNDG-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001421253230 907476439 /nfs/dbraw/zinc/47/64/39/907476439.db2.gz JXDNWARCZOXLMS-ZFWWWQNUSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC ZINC001421439164 907546680 /nfs/dbraw/zinc/54/66/80/907546680.db2.gz DRLHHJWHWMALKE-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N1CCCC1 ZINC001502069561 921333753 /nfs/dbraw/zinc/33/37/53/921333753.db2.gz YEGNYMJTKDIDQB-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001502092460 921335559 /nfs/dbraw/zinc/33/55/59/921335559.db2.gz PEGKGAUASLSXCZ-NEPJUHHUSA-N 1 3 273.352 -0.275 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001502092460 921335572 /nfs/dbraw/zinc/33/55/72/921335572.db2.gz PEGKGAUASLSXCZ-NEPJUHHUSA-N 1 3 273.352 -0.275 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001421644028 907599677 /nfs/dbraw/zinc/59/96/77/907599677.db2.gz RVTXOCLYUXMLEG-MCIONIFRSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001421772704 907641535 /nfs/dbraw/zinc/64/15/35/907641535.db2.gz WABQODXZPVKOPW-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001421829525 907656974 /nfs/dbraw/zinc/65/69/74/907656974.db2.gz MMUCQWDKFKGEBA-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001421981141 907695150 /nfs/dbraw/zinc/69/51/50/907695150.db2.gz IJLVNAZIMVGJBB-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001422042405 907707641 /nfs/dbraw/zinc/70/76/41/907707641.db2.gz DOHKWYIIFKCCAY-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001422042405 907707648 /nfs/dbraw/zinc/70/76/48/907707648.db2.gz DOHKWYIIFKCCAY-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422458129 907870244 /nfs/dbraw/zinc/87/02/44/907870244.db2.gz JNIGZSDDYTYADP-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422458129 907870256 /nfs/dbraw/zinc/87/02/56/907870256.db2.gz JNIGZSDDYTYADP-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001422608353 907942304 /nfs/dbraw/zinc/94/23/04/907942304.db2.gz SWIGWCGZBZFKID-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001422693948 907974874 /nfs/dbraw/zinc/97/48/74/907974874.db2.gz AIHQKFJYBBKTSW-SRVKXCTJSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001422739949 907989122 /nfs/dbraw/zinc/98/91/22/907989122.db2.gz ANWHBCJQOIJUSF-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423037214 908085249 /nfs/dbraw/zinc/08/52/49/908085249.db2.gz FHTGVEQDDZZCPM-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001423078964 908103389 /nfs/dbraw/zinc/10/33/89/908103389.db2.gz PEFSJBNPKAXXJQ-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423103328 908109753 /nfs/dbraw/zinc/10/97/53/908109753.db2.gz KVZHIXMZLQNNOX-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001423125546 908113805 /nfs/dbraw/zinc/11/38/05/908113805.db2.gz GGGDXDHKIADUFU-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423169024 908126276 /nfs/dbraw/zinc/12/62/76/908126276.db2.gz HBSOAZYSPSPOTF-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001423472602 908245749 /nfs/dbraw/zinc/24/57/49/908245749.db2.gz ZEVHWYFMUNYRHG-JQWIXIFHSA-N 1 3 284.360 -0.604 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001423967922 908375284 /nfs/dbraw/zinc/37/52/84/908375284.db2.gz XRIIKJTZVWLSLE-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424488965 908462794 /nfs/dbraw/zinc/46/27/94/908462794.db2.gz UDUZNNZJDPTXIH-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001424724587 908493486 /nfs/dbraw/zinc/49/34/86/908493486.db2.gz JHAQDBNXJHWMTD-VOMCLLRMSA-N 1 3 296.415 -0.171 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001505393064 921420260 /nfs/dbraw/zinc/42/02/60/921420260.db2.gz NGOVRZDXDQAQFN-ZDUSSCGKSA-N 1 3 299.415 -0.736 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001505393064 921420267 /nfs/dbraw/zinc/42/02/67/921420267.db2.gz NGOVRZDXDQAQFN-ZDUSSCGKSA-N 1 3 299.415 -0.736 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001425353916 908628012 /nfs/dbraw/zinc/62/80/12/908628012.db2.gz DQUXYZWKMYVOGY-STQMWFEESA-N 1 3 287.404 -0.476 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001425353906 908628641 /nfs/dbraw/zinc/62/86/41/908628641.db2.gz DQUXYZWKMYVOGY-CHWSQXEVSA-N 1 3 287.404 -0.476 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001425494210 908657822 /nfs/dbraw/zinc/65/78/22/908657822.db2.gz MPBPERDZGHPINV-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001425600920 908681231 /nfs/dbraw/zinc/68/12/31/908681231.db2.gz URLCEUJLAFYLAQ-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C ZINC001425656566 908687870 /nfs/dbraw/zinc/68/78/70/908687870.db2.gz OJXZYBLKTANZQO-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C ZINC001425656566 908687873 /nfs/dbraw/zinc/68/78/73/908687873.db2.gz OJXZYBLKTANZQO-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656566 908687875 /nfs/dbraw/zinc/68/78/75/908687875.db2.gz OJXZYBLKTANZQO-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426001901 908802483 /nfs/dbraw/zinc/80/24/83/908802483.db2.gz HWHVTKDSPNYDRR-RYUDHWBXSA-N 1 3 287.404 -0.740 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680097 921463478 /nfs/dbraw/zinc/46/34/78/921463478.db2.gz ZGLDRGMKPMENCY-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297109 909324078 /nfs/dbraw/zinc/32/40/78/909324078.db2.gz XNNJYBVUXRIWNV-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001433729071 909833213 /nfs/dbraw/zinc/83/32/13/909833213.db2.gz OHGXZRIZUKDHPH-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)CC1 ZINC001434337434 910103852 /nfs/dbraw/zinc/10/38/52/910103852.db2.gz ZRQPBLQTYAWMEY-QWHCGFSZSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001434383601 910141736 /nfs/dbraw/zinc/14/17/36/910141736.db2.gz HIXVTMSLGSNQGQ-IUODEOHRSA-N 1 3 297.399 -0.578 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001434383601 910141740 /nfs/dbraw/zinc/14/17/40/910141740.db2.gz HIXVTMSLGSNQGQ-IUODEOHRSA-N 1 3 297.399 -0.578 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001436876524 910496931 /nfs/dbraw/zinc/49/69/31/910496931.db2.gz PLLXIDFRJZKVOV-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001437143296 910563693 /nfs/dbraw/zinc/56/36/93/910563693.db2.gz FPLIFILXXRZFPI-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437312474 910613209 /nfs/dbraw/zinc/61/32/09/910613209.db2.gz OXKZXKRZSZYTOU-MNOVXSKESA-N 1 3 293.371 -0.475 20 0 CBADHO C[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001437846344 910765066 /nfs/dbraw/zinc/76/50/66/910765066.db2.gz WSRRJFVJMQEADB-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841990 910767327 /nfs/dbraw/zinc/76/73/27/910767327.db2.gz ICEUQSLMUPWIOO-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001437841990 910767338 /nfs/dbraw/zinc/76/73/38/910767338.db2.gz ICEUQSLMUPWIOO-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001437842684 910768034 /nfs/dbraw/zinc/76/80/34/910768034.db2.gz LGGCGLUJIZMXLH-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001437858411 910771242 /nfs/dbraw/zinc/77/12/42/910771242.db2.gz PAWWCGUNFAPTDZ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001438637502 910939757 /nfs/dbraw/zinc/93/97/57/910939757.db2.gz OPKGHHDLRHULQE-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccns1 ZINC001439024428 911061618 /nfs/dbraw/zinc/06/16/18/911061618.db2.gz IFGOCVMAADDTFI-JTQLQIEISA-N 1 3 286.401 -0.339 20 0 CBADHO CC[C@H](NCCN(CC)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001439086867 911095668 /nfs/dbraw/zinc/09/56/68/911095668.db2.gz ZSXHWMKMXAFSCW-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001439223130 911150086 /nfs/dbraw/zinc/15/00/86/911150086.db2.gz QLSADQHGWJLBBB-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439236164 911150185 /nfs/dbraw/zinc/15/01/85/911150185.db2.gz DOBXPPRPXANORK-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CN1CC[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471974 911217350 /nfs/dbraw/zinc/21/73/50/911217350.db2.gz NZFYEZXWIFALHJ-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001439991645 911336162 /nfs/dbraw/zinc/33/61/62/911336162.db2.gz QULLJQVZJVOYJV-AWEZNQCLSA-N 1 3 299.415 -0.330 20 0 CBADHO COCC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001439991645 911336176 /nfs/dbraw/zinc/33/61/76/911336176.db2.gz QULLJQVZJVOYJV-AWEZNQCLSA-N 1 3 299.415 -0.330 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440013696 911348356 /nfs/dbraw/zinc/34/83/56/911348356.db2.gz VBKSKPUWEGEGSR-HNNXBMFYSA-N 1 3 299.415 -0.472 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440586713 911475478 /nfs/dbraw/zinc/47/54/78/911475478.db2.gz FUOXQLPTXYRMKL-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001440767078 911507917 /nfs/dbraw/zinc/50/79/17/911507917.db2.gz YBCFVFRUDQDXTN-PNESKVBLSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC(=O)N(C)C ZINC001440816647 911516593 /nfs/dbraw/zinc/51/65/93/911516593.db2.gz IGLMJOZLTCHDMA-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001440863471 911531931 /nfs/dbraw/zinc/53/19/31/911531931.db2.gz WCXGZBFDYWQQKF-QWRGUYRKSA-N 1 3 272.393 -0.445 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001440863464 911535185 /nfs/dbraw/zinc/53/51/85/911535185.db2.gz WCXGZBFDYWQQKF-GHMZBOCLSA-N 1 3 272.393 -0.445 20 0 CBADHO C[NH+](C)CCCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001441246108 911628972 /nfs/dbraw/zinc/62/89/72/911628972.db2.gz LIJGLYPQYHQECY-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+](C)CCCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001441246089 911629503 /nfs/dbraw/zinc/62/95/03/911629503.db2.gz LIJGLYPQYHQECY-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001441451802 911673919 /nfs/dbraw/zinc/67/39/19/911673919.db2.gz YUOJKJPHOWTOHN-RTXFEEFZSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001441451802 911673932 /nfs/dbraw/zinc/67/39/32/911673932.db2.gz YUOJKJPHOWTOHN-RTXFEEFZSA-N 1 3 296.415 -0.362 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507146265 921687653 /nfs/dbraw/zinc/68/76/53/921687653.db2.gz BXNFIVAYMVGAPA-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001441532431 911699342 /nfs/dbraw/zinc/69/93/42/911699342.db2.gz FZCGRFURLQVMLR-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)N(C)C ZINC001507123540 921685145 /nfs/dbraw/zinc/68/51/45/921685145.db2.gz PXAMNVPJPPNFRM-ZJUUUORDSA-N 1 3 258.366 -0.752 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)[NH+](C)C ZINC001441625263 911719839 /nfs/dbraw/zinc/71/98/39/911719839.db2.gz XAWGRDSIBVBWFM-PWSUYJOCSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001441657981 911725484 /nfs/dbraw/zinc/72/54/84/911725484.db2.gz YOWBYRQADMFNJC-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001441657981 911725504 /nfs/dbraw/zinc/72/55/04/911725504.db2.gz YOWBYRQADMFNJC-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001441661094 911730837 /nfs/dbraw/zinc/73/08/37/911730837.db2.gz SNJHLEQXQBXXEK-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCNC1=O ZINC001507116420 921681744 /nfs/dbraw/zinc/68/17/44/921681744.db2.gz FULVCIIFIOMGAW-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441826689 911824894 /nfs/dbraw/zinc/82/48/94/911824894.db2.gz NEZQGUXLRQTRRP-CHWSQXEVSA-N 1 3 287.404 -0.570 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441838538 911831783 /nfs/dbraw/zinc/83/17/83/911831783.db2.gz GOQYNWCXBCKMBT-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)N(C)C ZINC001442089822 911927106 /nfs/dbraw/zinc/92/71/06/911927106.db2.gz GQBVSDABCXBHKC-CHWSQXEVSA-N 1 3 289.420 -0.684 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)N(C)C ZINC001442089822 911927116 /nfs/dbraw/zinc/92/71/16/911927116.db2.gz GQBVSDABCXBHKC-CHWSQXEVSA-N 1 3 289.420 -0.684 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001442142307 911936614 /nfs/dbraw/zinc/93/66/14/911936614.db2.gz FBSDIVHUXJSDQP-YPMHNXCESA-N 1 3 296.371 -0.602 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442139436 911937719 /nfs/dbraw/zinc/93/77/19/911937719.db2.gz OZTMCROGYDJKBH-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001442350209 911981337 /nfs/dbraw/zinc/98/13/37/911981337.db2.gz JPCNKFPGOYJUBY-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001443094720 912156117 /nfs/dbraw/zinc/15/61/17/912156117.db2.gz PVBTZLNOTLRGQZ-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443107779 912158572 /nfs/dbraw/zinc/15/85/72/912158572.db2.gz ZDXOAQGYNJWXBU-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443107779 912158581 /nfs/dbraw/zinc/15/85/81/912158581.db2.gz ZDXOAQGYNJWXBU-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001443116936 912160939 /nfs/dbraw/zinc/16/09/39/912160939.db2.gz KMPIGCXAPGDOOI-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO CCC[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001507209363 921745977 /nfs/dbraw/zinc/74/59/77/921745977.db2.gz MXTUAEBWDJORRH-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507329479 921811947 /nfs/dbraw/zinc/81/19/47/921811947.db2.gz VJRIBPMYMHBIAI-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001507335815 921812921 /nfs/dbraw/zinc/81/29/21/921812921.db2.gz ZBHGVYHXADQHCE-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001507335815 921812932 /nfs/dbraw/zinc/81/29/32/921812932.db2.gz ZBHGVYHXADQHCE-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCOC2CCC2)C1 ZINC001507261408 921790509 /nfs/dbraw/zinc/79/05/09/921790509.db2.gz SBTMXZSQOLVZTG-CHWSQXEVSA-N 1 3 299.415 -0.426 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCOC2CCC2)C1 ZINC001507261408 921790521 /nfs/dbraw/zinc/79/05/21/921790521.db2.gz SBTMXZSQOLVZTG-CHWSQXEVSA-N 1 3 299.415 -0.426 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001479489973 916133188 /nfs/dbraw/zinc/13/31/88/916133188.db2.gz VYMQIFODNWCYDC-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001480169188 916319359 /nfs/dbraw/zinc/31/93/59/916319359.db2.gz NPAZOSWPQGWNJP-HAQNSBGRSA-N 1 3 296.371 -0.494 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001480208512 916328360 /nfs/dbraw/zinc/32/83/60/916328360.db2.gz VHBWGWQCBVCPMR-PHIMTYICSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001480207810 916331275 /nfs/dbraw/zinc/33/12/75/916331275.db2.gz HCZDELSEPAGUTO-MXWKQRLJSA-N 1 3 282.388 -0.419 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001480233583 916336454 /nfs/dbraw/zinc/33/64/54/916336454.db2.gz HJRZMOLBDAMEGY-UTUOFQBUSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589791 916482846 /nfs/dbraw/zinc/48/28/46/916482846.db2.gz CLLWKKOLRMVBNX-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589791 916482852 /nfs/dbraw/zinc/48/28/52/916482852.db2.gz CLLWKKOLRMVBNX-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480576666 916484572 /nfs/dbraw/zinc/48/45/72/916484572.db2.gz KAPUAKUXFCDRHE-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590822 916486659 /nfs/dbraw/zinc/48/66/59/916486659.db2.gz VNCDLSBHRXHIPJ-OLZOCXBDSA-N 1 3 298.431 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/nfs/dbraw/zinc/77/77/29/916777729.db2.gz KOEZPEGLHRNECM-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO COC[C@H](O)C[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001481279735 916805387 /nfs/dbraw/zinc/80/53/87/916805387.db2.gz KGASXUAAZXESPP-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001481996870 917028860 /nfs/dbraw/zinc/02/88/60/917028860.db2.gz OAOOGOAXWMOPFU-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482322233 917127340 /nfs/dbraw/zinc/12/73/40/917127340.db2.gz AHDXTUNTXXFDGB-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001482365563 917139079 /nfs/dbraw/zinc/13/90/79/917139079.db2.gz WQCDCJIOWRNKFP-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001482774112 917271292 /nfs/dbraw/zinc/27/12/92/917271292.db2.gz HCSGOMSCEZXHAI-QWHCGFSZSA-N 1 3 287.404 -0.690 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001482901027 917329666 /nfs/dbraw/zinc/32/96/66/917329666.db2.gz IKIJTILJHAKHSS-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC[NH2+]C[C@H](O)COC)C(=O)[C@H]1CCCN1C ZINC001482941971 917346100 /nfs/dbraw/zinc/34/61/00/917346100.db2.gz DGDHTCVITOJGOT-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C12CC[NH+](CC1)C2 ZINC001482963101 917349163 /nfs/dbraw/zinc/34/91/63/917349163.db2.gz FVVSNGMREKTMJY-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966709 917352459 /nfs/dbraw/zinc/35/24/59/917352459.db2.gz HETCYOAMKGFOFX-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966709 917352472 /nfs/dbraw/zinc/35/24/72/917352472.db2.gz HETCYOAMKGFOFX-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483137065 917429351 /nfs/dbraw/zinc/42/93/51/917429351.db2.gz JTSWRCHHAKXHSI-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483137065 917429358 /nfs/dbraw/zinc/42/93/58/917429358.db2.gz JTSWRCHHAKXHSI-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001483135920 917431164 /nfs/dbraw/zinc/43/11/64/917431164.db2.gz WSRAHVMSTWSBAY-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483162536 917445196 /nfs/dbraw/zinc/44/51/96/917445196.db2.gz HLVKLACAQGGRES-NXEZZACHSA-N 1 3 258.366 -0.833 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001483185351 917458735 /nfs/dbraw/zinc/45/87/35/917458735.db2.gz HAUHQBFPWWVWTN-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001483197363 917462000 /nfs/dbraw/zinc/46/20/00/917462000.db2.gz HEOCXVIPSOAVRT-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001483198109 917462901 /nfs/dbraw/zinc/46/29/01/917462901.db2.gz XDPRSBBCBSIQRU-GFCCVEGCSA-N 1 3 286.420 -0.055 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001483235568 917486519 /nfs/dbraw/zinc/48/65/19/917486519.db2.gz VVPWLZHONWUDTI-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001483263807 917501782 /nfs/dbraw/zinc/50/17/82/917501782.db2.gz LAHLMNKXICCVCS-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001483286130 917505135 /nfs/dbraw/zinc/50/51/35/917505135.db2.gz LNUJBZYBABTOCR-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001483286130 917505146 /nfs/dbraw/zinc/50/51/46/917505146.db2.gz LNUJBZYBABTOCR-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](C(=O)N[C@H](C[NH2+]CCO)C1CC1)N(C)C ZINC001483569852 917596886 /nfs/dbraw/zinc/59/68/86/917596886.db2.gz FCXQTIISXSUQQQ-VXGBXAGGSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603479 917602606 /nfs/dbraw/zinc/60/26/06/917602606.db2.gz ZUNXCXKHFMNLEF-CMPLNLGQSA-N 1 3 294.399 -0.560 20 0 CBADHO CN(CC(=O)NCC1([NH2+]CCO)CC1)C1CCC1 ZINC001483741458 917664829 /nfs/dbraw/zinc/66/48/29/917664829.db2.gz STDHHPGFUVIGAW-UHFFFAOYSA-N 1 3 255.362 -0.299 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001483941995 917713881 /nfs/dbraw/zinc/71/38/81/917713881.db2.gz BZTCMMMISFBJFJ-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001484368143 917836112 /nfs/dbraw/zinc/83/61/12/917836112.db2.gz BUMLWMAWSPQTNM-NWDGAFQWSA-N 1 3 296.415 -0.360 20 0 CBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001484697477 917927177 /nfs/dbraw/zinc/92/71/77/917927177.db2.gz VUAFPURATHFACW-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484959561 917971663 /nfs/dbraw/zinc/97/16/63/917971663.db2.gz HHMNXZHBUSMMRZ-UHFFFAOYSA-N 1 3 266.345 -0.085 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001485159696 918014660 /nfs/dbraw/zinc/01/46/60/918014660.db2.gz ZBVJFBZNXWNRAN-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCO ZINC001485314748 918074890 /nfs/dbraw/zinc/07/48/90/918074890.db2.gz UPKXXKZGLGUDQZ-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCO ZINC001485314748 918074899 /nfs/dbraw/zinc/07/48/99/918074899.db2.gz UPKXXKZGLGUDQZ-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001485739725 918176722 /nfs/dbraw/zinc/17/67/22/918176722.db2.gz YWTMZIZNDXMTND-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001485854818 918208062 /nfs/dbraw/zinc/20/80/62/918208062.db2.gz HKTFSHUEFPNVIS-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001485881292 918216636 /nfs/dbraw/zinc/21/66/36/918216636.db2.gz FGZMIMIBSCKCLO-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485912975 918227535 /nfs/dbraw/zinc/22/75/35/918227535.db2.gz ADYHCJMSVFCHQX-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485912975 918227548 /nfs/dbraw/zinc/22/75/48/918227548.db2.gz ADYHCJMSVFCHQX-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916738 918228733 /nfs/dbraw/zinc/22/87/33/918228733.db2.gz WXZWGNWGIGUQPU-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001485960360 918238648 /nfs/dbraw/zinc/23/86/48/918238648.db2.gz FHQSBOURCFOVTJ-LBPRGKRZSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCC(N)=O ZINC001485960329 918239415 /nfs/dbraw/zinc/23/94/15/918239415.db2.gz DRJYWLRHNDHNAV-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001486022341 918313881 /nfs/dbraw/zinc/31/38/81/918313881.db2.gz AOJOBQUSOHPHRF-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486002009 918293505 /nfs/dbraw/zinc/29/35/05/918293505.db2.gz LMJGQRNOHFBCFI-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO COCCN[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053288 918347494 /nfs/dbraw/zinc/34/74/94/918347494.db2.gz XUURCQGFTDLOKY-VXGBXAGGSA-N 1 3 273.377 -0.959 20 0 CBADHO COCCN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053288 918347513 /nfs/dbraw/zinc/34/75/13/918347513.db2.gz XUURCQGFTDLOKY-VXGBXAGGSA-N 1 3 273.377 -0.959 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001490950053 918992874 /nfs/dbraw/zinc/99/28/74/918992874.db2.gz XDEYCDRXCLZXAE-JHJVBQTASA-N 1 3 296.415 -0.156 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001491265349 919098981 /nfs/dbraw/zinc/09/89/81/919098981.db2.gz VIWJJNHFNSLMOI-GFCCVEGCSA-N 1 3 266.345 -0.085 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001491455451 919171264 /nfs/dbraw/zinc/17/12/64/919171264.db2.gz RFMWAFYJIMSUIB-NEPJUHHUSA-N 1 3 257.378 -0.054 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC ZINC001491474601 919178777 /nfs/dbraw/zinc/17/87/77/919178777.db2.gz VLTXPCNSRLEIAP-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC ZINC001491474601 919178786 /nfs/dbraw/zinc/17/87/86/919178786.db2.gz VLTXPCNSRLEIAP-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001491557281 919203944 /nfs/dbraw/zinc/20/39/44/919203944.db2.gz BYANQAYNINVKGH-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001491557281 919203962 /nfs/dbraw/zinc/20/39/62/919203962.db2.gz BYANQAYNINVKGH-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671651 919248766 /nfs/dbraw/zinc/24/87/66/919248766.db2.gz BMZHEBQQDDTNPF-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671651 919248782 /nfs/dbraw/zinc/24/87/82/919248782.db2.gz BMZHEBQQDDTNPF-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672793 919252417 /nfs/dbraw/zinc/25/24/17/919252417.db2.gz JCKDACJDAOHRQJ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672793 919252434 /nfs/dbraw/zinc/25/24/34/919252434.db2.gz JCKDACJDAOHRQJ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858983 919290246 /nfs/dbraw/zinc/29/02/46/919290246.db2.gz NPOSGBHEBYCWEB-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001491855841 919290499 /nfs/dbraw/zinc/29/04/99/919290499.db2.gz IIKFHBXMTMATPX-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858981 919290998 /nfs/dbraw/zinc/29/09/98/919290998.db2.gz NPOSGBHEBYCWEB-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858982 919291660 /nfs/dbraw/zinc/29/16/60/919291660.db2.gz NPOSGBHEBYCWEB-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876724 919294148 /nfs/dbraw/zinc/29/41/48/919294148.db2.gz IDAZERCKLGXPTF-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO NC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CCCC1 ZINC001492177142 919332789 /nfs/dbraw/zinc/33/27/89/919332789.db2.gz DGROQOGDFJGFKV-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO NC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CCCC1 ZINC001492177142 919332806 /nfs/dbraw/zinc/33/28/06/919332806.db2.gz DGROQOGDFJGFKV-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001493235658 919509819 /nfs/dbraw/zinc/50/98/19/919509819.db2.gz XELLTGPBQUAROO-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001493267541 919514048 /nfs/dbraw/zinc/51/40/48/919514048.db2.gz RGFCQUKPHCEBTO-LBPRGKRZSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001493267541 919514064 /nfs/dbraw/zinc/51/40/64/919514064.db2.gz RGFCQUKPHCEBTO-LBPRGKRZSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001493695805 919609913 /nfs/dbraw/zinc/60/99/13/919609913.db2.gz WFSLUDYIQNDEDN-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001493695805 919609926 /nfs/dbraw/zinc/60/99/26/919609926.db2.gz WFSLUDYIQNDEDN-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCNCC(N)=O)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761422 919618251 /nfs/dbraw/zinc/61/82/51/919618251.db2.gz KCEAJLFGIJGTFL-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495106984 919865056 /nfs/dbraw/zinc/86/50/56/919865056.db2.gz JKCQABIWGSYFIW-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001495106984 919865070 /nfs/dbraw/zinc/86/50/70/919865070.db2.gz JKCQABIWGSYFIW-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301401 919883093 /nfs/dbraw/zinc/88/30/93/919883093.db2.gz UHCSOQFEANHTKC-IINYFYTJSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301401 919883102 /nfs/dbraw/zinc/88/31/02/919883102.db2.gz UHCSOQFEANHTKC-IINYFYTJSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496055423 920020126 /nfs/dbraw/zinc/02/01/26/920020126.db2.gz LRGQXZGJZNCQDF-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496055423 920020134 /nfs/dbraw/zinc/02/01/34/920020134.db2.gz LRGQXZGJZNCQDF-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496083251 920022317 /nfs/dbraw/zinc/02/23/17/920022317.db2.gz WEJAENAPYPDVLE-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001496560851 920086600 /nfs/dbraw/zinc/08/66/00/920086600.db2.gz HGYDYPLDJKTQNV-CHWSQXEVSA-N 1 3 296.415 -0.456 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001496560892 920088264 /nfs/dbraw/zinc/08/82/64/920088264.db2.gz FFGZVEYVDWUXHC-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(N)=O ZINC001496643959 920101870 /nfs/dbraw/zinc/10/18/70/920101870.db2.gz WWLHSTLUXGUABQ-NSHDSACASA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001497650075 920357763 /nfs/dbraw/zinc/35/77/63/920357763.db2.gz NNPWIWQCXZOUFU-BLDJZWNYSA-N 1 3 255.362 -0.277 20 0 CBADHO CCN1CC[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)C1=O ZINC001497676306 920367003 /nfs/dbraw/zinc/36/70/03/920367003.db2.gz XNIXNYGAFJGVFJ-URWSZGRFSA-N 1 3 296.415 -0.179 20 0 CBADHO C[C@H](C[NH2+]C[C@H](C)O)NC(=O)C1(N(C)C)CCC1 ZINC001497827371 920405023 /nfs/dbraw/zinc/40/50/23/920405023.db2.gz JJKMJTJFPRGOTL-MNOVXSKESA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC[NH+](C)C ZINC001497901156 920420895 /nfs/dbraw/zinc/42/08/95/920420895.db2.gz YPYYRGBNBUOTTN-LLVKDONJSA-N 1 3 267.377 -0.034 20 0 CBADHO C[C@@H](C[NH2+]CCCO)NC(=O)CN1CC[C@H](C)C1 ZINC001498118559 920488310 /nfs/dbraw/zinc/48/83/10/920488310.db2.gz RQALELAYGVCUDB-RYUDHWBXSA-N 1 3 257.378 -0.195 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001498195391 920515088 /nfs/dbraw/zinc/51/50/88/920515088.db2.gz KXGPAFCMGFZNSJ-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001498195391 920515102 /nfs/dbraw/zinc/51/51/02/920515102.db2.gz KXGPAFCMGFZNSJ-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCC[NH2+]CC(N)=O)C(=O)CN(C)C1CCC1 ZINC001498560433 920610180 /nfs/dbraw/zinc/61/01/80/920610180.db2.gz SQVZEIYFRDSMKA-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001499922758 920785400 /nfs/dbraw/zinc/78/54/00/920785400.db2.gz JECYYBSZXXZROX-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001499940092 920789951 /nfs/dbraw/zinc/78/99/51/920789951.db2.gz WRQZOWCFFKYMHV-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001499940092 920789970 /nfs/dbraw/zinc/78/99/70/920789970.db2.gz WRQZOWCFFKYMHV-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)CN(C)C1CCC1 ZINC001507640878 921889645 /nfs/dbraw/zinc/88/96/45/921889645.db2.gz VVJBGHXTNQRGSV-ZDUSSCGKSA-N 1 3 287.404 -0.786 20 0 CBADHO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN(C)C1CCC1 ZINC001507640878 921889651 /nfs/dbraw/zinc/88/96/51/921889651.db2.gz VVJBGHXTNQRGSV-ZDUSSCGKSA-N 1 3 287.404 -0.786 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001508016217 921904296 /nfs/dbraw/zinc/90/42/96/921904296.db2.gz OJZWYLDMHFYPOO-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO COCC[C@@H](N)C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001521739538 922377877 /nfs/dbraw/zinc/37/78/77/922377877.db2.gz BSSVSODKEQCCJK-NXEZZACHSA-N 1 3 261.391 -0.439 20 0 CBADHO CN1CCN(CCCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001521504518 922361162 /nfs/dbraw/zinc/36/11/62/922361162.db2.gz WORSACHFCRHGEA-UHFFFAOYSA-N 1 3 298.431 -0.770 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CC[NH+](C)C ZINC001522781582 922517242 /nfs/dbraw/zinc/51/72/42/922517242.db2.gz FIQWBXDREGPLLV-UHFFFAOYSA-N 1 3 281.360 -0.555 20 0 CBADHO CCO[C@@H](CNC(=O)[C@@H](N)C(C)(C)O)C[NH+](C)C ZINC001522889179 922546505 /nfs/dbraw/zinc/54/65/05/922546505.db2.gz BASMAOAHRUHQMD-VHSXEESVSA-N 1 3 261.366 -0.833 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001534436199 923145935 /nfs/dbraw/zinc/14/59/35/923145935.db2.gz DXOZYCVZVQMQGF-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001534436199 923145941 /nfs/dbraw/zinc/14/59/41/923145941.db2.gz DXOZYCVZVQMQGF-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001534436189 923147907 /nfs/dbraw/zinc/14/79/07/923147907.db2.gz DXOZYCVZVQMQGF-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001534436189 923147917 /nfs/dbraw/zinc/14/79/17/923147917.db2.gz DXOZYCVZVQMQGF-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001548555145 923378901 /nfs/dbraw/zinc/37/89/01/923378901.db2.gz KBUHORRRJKKZJB-UONOGXRCSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001548561236 923387415 /nfs/dbraw/zinc/38/74/15/923387415.db2.gz JLCFOSITKXTFTE-HZSPNIEDSA-N 1 3 280.416 -0.119 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC2(CNC2)O1 ZINC001548575572 923401297 /nfs/dbraw/zinc/40/12/97/923401297.db2.gz FMSLDFVEJYSJEN-MGCOHNPYSA-N 1 3 253.346 -0.297 20 0 CBADHO CC1(C)CN(C(=O)[C@H](N)CC(F)F)CC2(C[NH2+]C2)O1 ZINC001548580036 923403526 /nfs/dbraw/zinc/40/35/26/923403526.db2.gz VQHIUTJJNVLELH-MRVPVSSYSA-N 1 3 277.315 -0.052 20 0 CBADHO O=C(N1CCC2(CC1)CNCCO2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548586677 923408258 /nfs/dbraw/zinc/40/82/58/923408258.db2.gz PZRUZUFGNREPAX-WFASDCNBSA-N 1 3 295.383 -0.797 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045761 923540099 /nfs/dbraw/zinc/54/00/99/923540099.db2.gz ISQXWYLCUQVCEH-VHSXEESVSA-N 1 3 276.331 -0.525 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047132 923542656 /nfs/dbraw/zinc/54/26/56/923542656.db2.gz KXPALBGCJDHOAN-CMPLNLGQSA-N 1 3 280.376 -0.244 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047267 923543457 /nfs/dbraw/zinc/54/34/57/923543457.db2.gz MYSIAAOLKGTHRT-KOLCDFICSA-N 1 3 266.349 -0.362 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549047624 923546438 /nfs/dbraw/zinc/54/64/38/923546438.db2.gz UYMGAERWNFSZEM-PWSUYJOCSA-N 1 3 278.360 -0.490 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001549048234 923546775 /nfs/dbraw/zinc/54/67/75/923546775.db2.gz BOWMVJTVSBUZSK-OCCSQVGLSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549048903 923547477 /nfs/dbraw/zinc/54/74/77/923547477.db2.gz VACRJGSWQBUPSU-DCAQKATOSA-N 1 3 251.334 -0.590 20 0 CBADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)C[C@H]1CNCCO1)C2 ZINC001549128590 923560286 /nfs/dbraw/zinc/56/02/86/923560286.db2.gz FHDYMRQXSQGPRP-DYEKYZERSA-N 1 3 267.373 -0.048 20 0 CBADHO O=C(C[C@@H]1CCNC[C@H]1F)NC[C@H]1C[NH2+]CCCO1 ZINC001549291627 923581194 /nfs/dbraw/zinc/58/11/94/923581194.db2.gz HBKRHCVBUYKINV-QJPTWQEYSA-N 1 3 273.352 -0.181 20 0 CBADHO N[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC001549299831 923587554 /nfs/dbraw/zinc/58/75/54/923587554.db2.gz LRIBLTFAAQETOY-DMLGSKKGSA-N 1 3 253.346 -0.392 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549614146 923619440 /nfs/dbraw/zinc/61/94/40/923619440.db2.gz FYUONHYHKPMQRB-FRRDWIJNSA-N 1 3 294.399 -0.269 20 0 CBADHO CCC[C@H](N)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728913 923632356 /nfs/dbraw/zinc/63/23/56/923632356.db2.gz TZLKOBGIHPMFCW-OBJOEFQTSA-N 1 3 296.415 -0.123 20 0 CBADHO O=C(C[C@H]1CNCCO1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549747158 923641736 /nfs/dbraw/zinc/64/17/36/923641736.db2.gz RLOKYBTVCLVTCJ-ZJUUUORDSA-N 1 3 279.344 -0.196 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CC[NH2+]CCC1(C)C ZINC001549902235 923648784 /nfs/dbraw/zinc/64/87/84/923648784.db2.gz SANFZDUAMSIKQO-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084682 923670015 /nfs/dbraw/zinc/67/00/15/923670015.db2.gz KCNRHIKJYZSBCF-NWDGAFQWSA-N 1 3 267.373 -0.129 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096925 923677136 /nfs/dbraw/zinc/67/71/36/923677136.db2.gz SCRAFMQCAKFVNB-AAEUAGOBSA-N 1 3 292.387 -0.100 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC001550095995 923678131 /nfs/dbraw/zinc/67/81/31/923678131.db2.gz SUDKKXJQRWUODY-GFCCVEGCSA-N 1 3 292.387 -0.148 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096928 923678216 /nfs/dbraw/zinc/67/82/16/923678216.db2.gz SCRAFMQCAKFVNB-WCQYABFASA-N 1 3 292.387 -0.100 20 0 CBADHO C[C@@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550094875 923678689 /nfs/dbraw/zinc/67/86/89/923678689.db2.gz ZAZKOKPRWULFLM-AAEUAGOBSA-N 1 3 278.360 -0.348 20 0 CBADHO C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550094830 923679930 /nfs/dbraw/zinc/67/99/30/923679930.db2.gz AGHIVKZEHHCJEY-CABZTGNLSA-N 1 3 278.360 -0.349 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550094964 923680227 /nfs/dbraw/zinc/68/02/27/923680227.db2.gz AVVDTJTZNWSVKO-WCFLWFBJSA-N 1 3 292.387 -0.102 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096996 923681499 /nfs/dbraw/zinc/68/14/99/923681499.db2.gz WPQGRGZRACTPHA-USWWRNFRSA-N 1 3 278.360 -0.634 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097265 923682370 /nfs/dbraw/zinc/68/23/70/923682370.db2.gz HZORMGIRLNSYKM-QWRGUYRKSA-N 1 3 264.333 -0.738 20 0 CBADHO CC[NH2+]CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550097502 923682419 /nfs/dbraw/zinc/68/24/19/923682419.db2.gz RCEKHLMHUUZHAA-SNVBAGLBSA-N 1 3 252.322 -0.880 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001550121843 923696953 /nfs/dbraw/zinc/69/69/53/923696953.db2.gz BDWAESAISJMJGY-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO CO[C@H](CN)C(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550188053 923707915 /nfs/dbraw/zinc/70/79/15/923707915.db2.gz ZKPGZUDGOKJHOV-RWMBFGLXSA-N 1 3 263.341 -0.168 20 0 CBADHO N[C@H](CC1CC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550190373 923710397 /nfs/dbraw/zinc/71/03/97/923710397.db2.gz UPQMRKDGQUMFGD-NWDGAFQWSA-N 1 3 278.360 -0.444 20 0 CBADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](CN)OC)C[C@@H]2[NH3+])cc1 ZINC001550189908 923710978 /nfs/dbraw/zinc/71/09/78/923710978.db2.gz XHCLEDFJXVZARM-MELADBBJSA-N 1 3 293.367 -0.078 20 0 CBADHO C[NH2+]CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200189 923711194 /nfs/dbraw/zinc/71/11/94/923711194.db2.gz SPZSERRDWMEXSB-UHFFFAOYSA-N 1 3 282.388 -0.462 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550232590 923713879 /nfs/dbraw/zinc/71/38/79/923713879.db2.gz GLYCKNWYXOASHI-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO CC[C@@H]1NCCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC001550474937 923730205 /nfs/dbraw/zinc/73/02/05/923730205.db2.gz WFEUCWJDPDPDDR-YDHLFZDLSA-N 1 3 297.399 -0.266 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551460556 923795946 /nfs/dbraw/zinc/79/59/46/923795946.db2.gz AKXMHBSIWWNHQP-NSHDSACASA-N 1 3 271.361 -0.669 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC001551501907 923800034 /nfs/dbraw/zinc/80/00/34/923800034.db2.gz FXLCFYDDVCLRAA-IACUBPJLSA-N 1 3 290.367 -0.101 20 0 CBADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H]1CNCCO1)CC2 ZINC001551573260 923805218 /nfs/dbraw/zinc/80/52/18/923805218.db2.gz WGHDIMHGDAQWDC-MRFPXMQZSA-N 1 3 282.388 -0.066 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551586866 923805855 /nfs/dbraw/zinc/80/58/55/923805855.db2.gz ITIZFKMOIVAEII-JJMZSNKZSA-N 1 3 282.388 -0.114 20 0 CBADHO O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CCN2CCC[C@H]2C1 ZINC001552177199 923844579 /nfs/dbraw/zinc/84/45/79/923844579.db2.gz CQBIQSWGRWSMLP-RYUDHWBXSA-N 1 3 290.371 -0.267 20 0 CBADHO CCN1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552200626 923856988 /nfs/dbraw/zinc/85/69/88/923856988.db2.gz SEEYNLASFBPZOA-SGMGOOAPSA-N 1 3 267.373 -0.177 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552200974 923859577 /nfs/dbraw/zinc/85/95/77/923859577.db2.gz YGQIOHFZACCAAZ-SWLSCSKDSA-N 1 3 297.399 -0.551 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201733 923860655 /nfs/dbraw/zinc/86/06/55/923860655.db2.gz VDHBHXYCATYHIM-NFAWXSAZSA-N 1 3 297.399 -0.551 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCN1 ZINC001552203090 923862382 /nfs/dbraw/zinc/86/23/82/923862382.db2.gz VRHGNPRFXRSGIC-DYEKYZERSA-N 1 3 267.373 -0.321 20 0 CBADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@@H]1F ZINC001552218704 923872326 /nfs/dbraw/zinc/87/23/26/923872326.db2.gz WDBNYAOXEVIRAT-KLBPJQLPSA-N 1 3 257.309 -0.880 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377201 923893104 /nfs/dbraw/zinc/89/31/04/923893104.db2.gz ZBPKVWIATWNPAT-QJPTWQEYSA-N 1 3 280.372 -0.854 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCC[NH2+]C2)n1 ZINC001552435400 923905535 /nfs/dbraw/zinc/90/55/35/923905535.db2.gz AXDFOHSJCFGTLL-VIFPVBQESA-N 1 3 279.344 -0.353 20 0 CBADHO CC(C)(O)CN1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC001553026066 923935779 /nfs/dbraw/zinc/93/57/79/923935779.db2.gz LMTMDNYEAJJBNJ-VXGBXAGGSA-N 1 3 257.378 -0.590 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)c1cnc([C@@H]2CCCN2)nc1 ZINC001553349840 923952912 /nfs/dbraw/zinc/95/29/12/923952912.db2.gz DLFRZXUOPZATOM-MNOVXSKESA-N 1 3 261.329 -0.007 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409739 923983318 /nfs/dbraw/zinc/98/33/18/923983318.db2.gz KDYGCQNINNDUFF-RDBSUJKOSA-N 1 3 297.399 -0.267 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553408989 923983369 /nfs/dbraw/zinc/98/33/69/923983369.db2.gz KLQWPIMCEBBGNJ-FVCCEPFGSA-N 1 3 283.372 -0.705 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553409729 923984201 /nfs/dbraw/zinc/98/42/01/923984201.db2.gz KDYGCQNINNDUFF-HZSPNIEDSA-N 1 3 297.399 -0.267 20 0 CBADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC001553447680 924003188 /nfs/dbraw/zinc/00/31/88/924003188.db2.gz VRDQQFLBLQTPCH-OSFYFWSMSA-N 1 3 294.399 -0.018 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553494296 924010903 /nfs/dbraw/zinc/01/09/03/924010903.db2.gz DXEOZTGXVKTVJD-JHJVBQTASA-N 1 3 284.404 -0.178 20 0 CBADHO CC(C)([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553499094 924012410 /nfs/dbraw/zinc/01/24/10/924012410.db2.gz YFRJQWFFHRSLLW-RYUDHWBXSA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+][C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC001553497444 924013312 /nfs/dbraw/zinc/01/33/12/924013312.db2.gz PUUQNUWJTDJNMK-RDBSUJKOSA-N 1 3 296.415 -0.036 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553501159 924013359 /nfs/dbraw/zinc/01/33/59/924013359.db2.gz GEEXXHDFQVCJCR-AVGNSLFASA-N 1 3 282.388 -0.384 20 0 CBADHO CC(C)([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553499092 924014449 /nfs/dbraw/zinc/01/44/49/924014449.db2.gz YFRJQWFFHRSLLW-NEPJUHHUSA-N 1 3 284.404 -0.036 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553501574 924016580 /nfs/dbraw/zinc/01/65/80/924016580.db2.gz GFCYVPDNCSSOGX-MJBXVCDLSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553505172 924016646 /nfs/dbraw/zinc/01/66/46/924016646.db2.gz SAKCLNFQXHTTFO-GXTWGEPZSA-N 1 3 282.388 -0.098 20 0 CBADHO [NH3+]C1CC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553559083 924031794 /nfs/dbraw/zinc/03/17/94/924031794.db2.gz UZXUOKBMCMZDSG-TUUUFIMRSA-N 1 3 282.388 -0.283 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420023936 282089518 /nfs/dbraw/zinc/08/95/18/282089518.db2.gz XWTYNGCUTASTHN-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@]1(O)CCN(CCOCC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000178732817 230184022 /nfs/dbraw/zinc/18/40/22/230184022.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@@]1(O)CCN(CCOCC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000178732817 230184027 /nfs/dbraw/zinc/18/40/27/230184027.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@@]1(O)CC[N@@H+](CCOCCN2CC[C@](C)(O)C2)C1 ZINC000178732817 230184032 /nfs/dbraw/zinc/18/40/32/230184032.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@@]1(O)CC[N@H+](CCOCCN2CC[C@](C)(O)C2)C1 ZINC000178732817 230184035 /nfs/dbraw/zinc/18/40/35/230184035.db2.gz IGJZRMHGFXKEHZ-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000165607959 282171774 /nfs/dbraw/zinc/17/17/74/282171774.db2.gz MKSDRAKMPOJQMT-RYUDHWBXSA-N 1 3 255.362 -0.179 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423270317 290656828 /nfs/dbraw/zinc/65/68/28/290656828.db2.gz HSIXAKZFWSCGIZ-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126162813 187221616 /nfs/dbraw/zinc/22/16/16/187221616.db2.gz YITYPYFFPPPUMQ-FZMZJTMJSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126162813 187221618 /nfs/dbraw/zinc/22/16/18/187221618.db2.gz YITYPYFFPPPUMQ-FZMZJTMJSA-N 1 3 296.415 -0.314 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419124225 290664489 /nfs/dbraw/zinc/66/44/89/290664489.db2.gz QTQCUNXJTHLFSE-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000333556592 295691687 /nfs/dbraw/zinc/69/16/87/295691687.db2.gz KWKWJHDBDWSELC-OUCADQQQSA-N 1 3 267.373 -0.129 20 0 CBADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)N3CCOCC3)C[C@@H]12 ZINC000351488849 219104321 /nfs/dbraw/zinc/10/43/21/219104321.db2.gz GJYGDDVSUBDSJN-JHJVBQTASA-N 1 3 267.373 -0.096 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(C2CC2)C1 ZINC000351515674 219110409 /nfs/dbraw/zinc/11/04/09/219110409.db2.gz DCZACLWHIQSAAY-CMPLNLGQSA-N 1 3 280.372 -0.793 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000351516541 219111967 /nfs/dbraw/zinc/11/19/67/219111967.db2.gz GHDQHTHIOBVDHA-VXGBXAGGSA-N 1 3 280.372 -0.839 20 0 CBADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000376923888 529902275 /nfs/dbraw/zinc/90/22/75/529902275.db2.gz UUNBIXFFSBIGAF-AWEZNQCLSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000376923888 529902277 /nfs/dbraw/zinc/90/22/77/529902277.db2.gz UUNBIXFFSBIGAF-AWEZNQCLSA-N 1 3 280.416 -0.071 20 0 CBADHO CCN1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351552444 219124238 /nfs/dbraw/zinc/12/42/38/219124238.db2.gz AOKAJTJHJPDHDH-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351557937 219125843 /nfs/dbraw/zinc/12/58/43/219125843.db2.gz QMDKPSTVTPVRNU-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCC1 ZINC000573626228 334953396 /nfs/dbraw/zinc/95/33/96/334953396.db2.gz TVGDKMPXYFTYHI-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CSCN3)C2)CC1 ZINC000377199300 530049900 /nfs/dbraw/zinc/04/99/00/530049900.db2.gz UGPVRJKFRCTOGM-WCQYABFASA-N 1 3 298.456 -0.066 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000351839693 219222303 /nfs/dbraw/zinc/22/23/03/219222303.db2.gz LOUAYYRQDPOZSN-AVGNSLFASA-N 1 3 296.415 -0.408 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000351993838 219278826 /nfs/dbraw/zinc/27/88/26/219278826.db2.gz LANMXYCUWRVEIC-OCCSQVGLSA-N 1 3 286.420 -0.034 20 0 CBADHO CC[NH+]1CCC(NC(=O)C[C@H]2CNCCO2)CC1 ZINC000091309724 180132252 /nfs/dbraw/zinc/13/22/52/180132252.db2.gz WTHGIGZSDREKFV-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN(C)CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291158 180122619 /nfs/dbraw/zinc/12/26/19/180122619.db2.gz WRGSZKANFNSVMX-LLVKDONJSA-N 1 3 275.418 -0.224 20 0 CBADHO CN1CCN(CCCNC(=O)C[NH2+]C2CC2)CC1 ZINC000040808857 351418821 /nfs/dbraw/zinc/41/88/21/351418821.db2.gz BFWNPPOTLOCCAM-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000062973137 351577764 /nfs/dbraw/zinc/57/77/64/351577764.db2.gz UCCNVFLBIYTURG-GRYCIOLGSA-N 1 3 253.346 -0.594 20 0 CBADHO CCN(CC)C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179673 351580404 /nfs/dbraw/zinc/58/04/04/351580404.db2.gz ROSNREBWCVAXRS-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO [NH3+]CCC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000070188274 351635771 /nfs/dbraw/zinc/63/57/71/351635771.db2.gz SGZXVULEKBDQDN-UHFFFAOYSA-N 1 3 254.334 -0.401 20 0 CBADHO C[NH2+]CCC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000070189963 351636501 /nfs/dbraw/zinc/63/65/01/351636501.db2.gz JORFFXOMGFNLOQ-UHFFFAOYSA-N 1 3 294.399 -0.095 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073643580 351655735 /nfs/dbraw/zinc/65/57/35/351655735.db2.gz NLAKXSPSJZXOCM-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000074164428 351659358 /nfs/dbraw/zinc/65/93/58/351659358.db2.gz DOYRYAHMHHWWCN-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C[C@H]1CCC[N@@H+]1C ZINC000092629175 351750664 /nfs/dbraw/zinc/75/06/64/351750664.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C[C@H]1CCC[N@H+]1C ZINC000092629175 351750668 /nfs/dbraw/zinc/75/06/68/351750668.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCC[C@@H]1C[N@H+](C)CCC(=O)N1CCNCC1 ZINC000092629175 351750670 /nfs/dbraw/zinc/75/06/70/351750670.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCC[C@@H]1C[N@@H+](C)CCC(=O)N1CCNCC1 ZINC000092629175 351750676 /nfs/dbraw/zinc/75/06/76/351750676.db2.gz UZUFTLGYTCITMO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC(C(=O)NC[C@@]1(C)CCC[NH2+]C1)S(C)(=O)=O ZINC000125642835 351857667 /nfs/dbraw/zinc/85/76/67/351857667.db2.gz BJAJYYBPMHCYIQ-ONGXEEELSA-N 1 3 262.375 -0.075 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125629710 351857682 /nfs/dbraw/zinc/85/76/82/351857682.db2.gz NCVBWHATDCTUHS-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000126328858 351861084 /nfs/dbraw/zinc/86/10/84/351861084.db2.gz CDGMZXLDENFUMZ-JSGCOSHPSA-N 1 3 296.415 -0.217 20 0 CBADHO CN1CCN(CCCNC(=O)C2([NH3+])CCC2)CC1 ZINC000148089535 351929132 /nfs/dbraw/zinc/92/91/32/351929132.db2.gz BDMZBKDTYBDCBR-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000151791582 351937007 /nfs/dbraw/zinc/93/70/07/351937007.db2.gz MPFPHZSFBGUINY-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000152755414 351940133 /nfs/dbraw/zinc/94/01/33/351940133.db2.gz VJOIJVLVHIQBEQ-VXGBXAGGSA-N 1 3 255.362 -0.129 20 0 CBADHO CC[NH2+]CC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000131580243 351887564 /nfs/dbraw/zinc/88/75/64/351887564.db2.gz LCRCGXRDHTVSMU-UHFFFAOYSA-N 1 3 268.361 -0.140 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000133403800 351898720 /nfs/dbraw/zinc/89/87/20/351898720.db2.gz LSFXRJVXWRCPPJ-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C(=O)NCC[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000135228895 351912748 /nfs/dbraw/zinc/91/27/48/351912748.db2.gz YTCYQONZJCILPP-NXEZZACHSA-N 1 3 262.375 -0.075 20 0 CBADHO CC[NH+]1CCN(CCCNC(=O)CN(C)C)CC1 ZINC000171185088 352008631 /nfs/dbraw/zinc/00/86/31/352008631.db2.gz FHWPFIHUMKUQCO-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000158799714 351960206 /nfs/dbraw/zinc/96/02/06/351960206.db2.gz FTSADQXOSFKOEW-LBPRGKRZSA-N 1 3 254.378 -0.460 20 0 CBADHO CN1CCN(C(=O)CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000162476217 351978371 /nfs/dbraw/zinc/97/83/71/351978371.db2.gz FZYNVDDLFGSDFV-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000186786038 352131766 /nfs/dbraw/zinc/13/17/66/352131766.db2.gz WLZCDHRLWZABJE-UPJWGTAASA-N 1 3 296.415 -0.489 20 0 CBADHO CN1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178872204 352084580 /nfs/dbraw/zinc/08/45/80/352084580.db2.gz QUFGQCHJEMDUEH-ZDUSSCGKSA-N 1 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ZINC000225550639 352248448 /nfs/dbraw/zinc/24/84/48/352248448.db2.gz IEOVCMRUMLQUTG-JHJVBQTASA-N 1 3 267.373 -0.204 20 0 CBADHO CC(C)([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236777749 352293038 /nfs/dbraw/zinc/29/30/38/352293038.db2.gz IOJCPTJOYPJMAJ-UHFFFAOYSA-N 1 3 282.388 -0.510 20 0 CBADHO CCN1CCN(CCC(=O)N(C)CC[NH2+]C)CC1 ZINC000236844207 352295099 /nfs/dbraw/zinc/29/50/99/352295099.db2.gz SHGFWPYLYYWVMY-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000236839234 352295181 /nfs/dbraw/zinc/29/51/81/352295181.db2.gz IQIVQQBQRGERER-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236838505 352295415 /nfs/dbraw/zinc/29/54/15/352295415.db2.gz ZSXOQPJYBYQPHM-AWEZNQCLSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236951588 352296889 /nfs/dbraw/zinc/29/68/89/352296889.db2.gz ABNVNHOPSHLSTF-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237091816 352298502 /nfs/dbraw/zinc/29/85/02/352298502.db2.gz IOSUDGLJQBNTMA-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237146402 352300312 /nfs/dbraw/zinc/30/03/12/352300312.db2.gz GPGANFXLDIYIHU-ZIAGYGMSSA-N 1 3 277.368 -0.043 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CCC[NH2+]C1 ZINC000237931596 352312143 /nfs/dbraw/zinc/31/21/43/352312143.db2.gz SCRNYTZTCGTJQJ-NWDGAFQWSA-N 1 3 255.362 -0.129 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000238083362 352313679 /nfs/dbraw/zinc/31/36/79/352313679.db2.gz FLEULVWJRCRVGD-HNNXBMFYSA-N 1 3 290.411 -0.032 20 0 CBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261749156 352395299 /nfs/dbraw/zinc/39/52/99/352395299.db2.gz PZCOIVPKQZAANX-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262313944 352415433 /nfs/dbraw/zinc/41/54/33/352415433.db2.gz BTHMZXBSOPMGRE-WOPDTQHZSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCC(C)CC1 ZINC000262444476 352421346 /nfs/dbraw/zinc/42/13/46/352421346.db2.gz TXVJUBHOHHBLEM-JHJVBQTASA-N 1 3 269.389 -0.054 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])CC1=O ZINC000262578553 352426579 /nfs/dbraw/zinc/42/65/79/352426579.db2.gz HKKHKEVSZDJIBT-LBPRGKRZSA-N 1 3 298.431 -0.160 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262566815 352426635 /nfs/dbraw/zinc/42/66/35/352426635.db2.gz YCGVRGSVGDZQPQ-UTUOFQBUSA-N 1 3 255.362 -0.300 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000262823021 352434908 /nfs/dbraw/zinc/43/49/08/352434908.db2.gz GZZHSGBVDVILDM-NEPJUHHUSA-N 1 3 273.377 -0.423 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000263243393 352439986 /nfs/dbraw/zinc/43/99/86/352439986.db2.gz MAPQJQSOTCQVHF-SUNKGSAMSA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000263243393 352439990 /nfs/dbraw/zinc/43/99/90/352439990.db2.gz MAPQJQSOTCQVHF-SUNKGSAMSA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000263225764 352440236 /nfs/dbraw/zinc/44/02/36/352440236.db2.gz GKTKIZGIMSQYNI-OSMZGAPFSA-N 1 3 296.415 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000263225764 352440242 /nfs/dbraw/zinc/44/02/42/352440242.db2.gz GKTKIZGIMSQYNI-OSMZGAPFSA-N 1 3 296.415 -0.315 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000262079775 352405897 /nfs/dbraw/zinc/40/58/97/352405897.db2.gz KOPFUDPNMUUEIY-FOGDFJRCSA-N 1 3 270.377 -0.705 20 0 CBADHO OC[C@H]1CCCN1CCOCC[N@@H+]1CCC[C@@H]1CO ZINC000304780961 352747734 /nfs/dbraw/zinc/74/77/34/352747734.db2.gz GAIMFTBMOXQKKA-ZIAGYGMSSA-N 1 3 272.389 -0.084 20 0 CBADHO OC[C@H]1CCCN1CCOCC[N@H+]1CCC[C@@H]1CO ZINC000304780961 352747736 /nfs/dbraw/zinc/74/77/36/352747736.db2.gz GAIMFTBMOXQKKA-ZIAGYGMSSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@H]([NH3+])C1CCN(CCS(=O)(=O)N(C)C)CC1 ZINC000310156330 352758295 /nfs/dbraw/zinc/75/82/95/352758295.db2.gz OPXLTLCZSAWYTF-JTQLQIEISA-N 1 3 263.407 -0.063 20 0 CBADHO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000311515502 352767771 /nfs/dbraw/zinc/76/77/71/352767771.db2.gz CBJXAZBTOIQGLK-GWCFXTLKSA-N 1 3 268.361 -0.107 20 0 CBADHO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000311515502 352767775 /nfs/dbraw/zinc/76/77/75/352767775.db2.gz CBJXAZBTOIQGLK-GWCFXTLKSA-N 1 3 268.361 -0.107 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311515502 352767779 /nfs/dbraw/zinc/76/77/79/352767779.db2.gz CBJXAZBTOIQGLK-GWCFXTLKSA-N 1 3 268.361 -0.107 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)N1CCN2CCC[C@@H]2C1 ZINC000331483449 352918179 /nfs/dbraw/zinc/91/81/79/352918179.db2.gz IUAUINICXCYPJN-CQSZACIVSA-N 1 3 295.431 -0.229 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331503645 352919991 /nfs/dbraw/zinc/91/99/91/352919991.db2.gz 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353003744 /nfs/dbraw/zinc/00/37/44/353003744.db2.gz LVSUFIOFHQXKPW-GHMZBOCLSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@H]1CC2(CN1CC(=O)N1CCNC(=O)C1)CC[NH2+]CC2 ZINC000333644523 353006196 /nfs/dbraw/zinc/00/61/96/353006196.db2.gz XVXBUEJGAWAWRA-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CNCCO1 ZINC000333730440 353008799 /nfs/dbraw/zinc/00/87/99/353008799.db2.gz WBCKIQBSXLSPJQ-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CNCCO1 ZINC000333730440 353008804 /nfs/dbraw/zinc/00/88/04/353008804.db2.gz WBCKIQBSXLSPJQ-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333912906 353013773 /nfs/dbraw/zinc/01/37/73/353013773.db2.gz FQPITZGTXBPKOS-AVGNSLFASA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333912906 353013774 /nfs/dbraw/zinc/01/37/74/353013774.db2.gz FQPITZGTXBPKOS-AVGNSLFASA-N 1 3 282.388 -0.099 20 0 CBADHO 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353225252 /nfs/dbraw/zinc/22/52/52/353225252.db2.gz KFEWIUCUMSNDKQ-SNVBAGLBSA-N 1 3 273.377 -0.029 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CCC(=O)OC ZINC000342695885 353228243 /nfs/dbraw/zinc/22/82/43/353228243.db2.gz GLOPRDBWGOOILP-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CCC(=O)OC ZINC000342695885 353228244 /nfs/dbraw/zinc/22/82/44/353228244.db2.gz GLOPRDBWGOOILP-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245341 353261817 /nfs/dbraw/zinc/26/18/17/353261817.db2.gz CCEPONGOZFKMCZ-JSGCOSHPSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245341 353261821 /nfs/dbraw/zinc/26/18/21/353261821.db2.gz CCEPONGOZFKMCZ-JSGCOSHPSA-N 1 3 280.416 -0.025 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000343863182 353295301 /nfs/dbraw/zinc/29/53/01/353295301.db2.gz OTINSDMVTGDCSK-VHSXEESVSA-N 1 3 257.334 -0.571 20 0 CBADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000346325499 353371154 /nfs/dbraw/zinc/37/11/54/353371154.db2.gz NXFKHWUXNBPOPL-GOEBONIOSA-N 1 3 292.427 -0.070 20 0 CBADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000346325499 353371155 /nfs/dbraw/zinc/37/11/55/353371155.db2.gz NXFKHWUXNBPOPL-GOEBONIOSA-N 1 3 292.427 -0.070 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@@H+]1C ZINC000348988510 353443359 /nfs/dbraw/zinc/44/33/59/353443359.db2.gz HXODRRVWEKSSTK-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@H+]1C ZINC000348988510 353443360 /nfs/dbraw/zinc/44/33/60/353443360.db2.gz HXODRRVWEKSSTK-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CCOC1CNC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349004264 353444017 /nfs/dbraw/zinc/44/40/17/353444017.db2.gz RCNODSNIYMWXQI-LLVKDONJSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCOC1CNC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000349004264 353444020 /nfs/dbraw/zinc/44/40/20/353444020.db2.gz 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/nfs/dbraw/zinc/44/56/23/353445623.db2.gz YCPJFUVIWWBOEA-ZDUSSCGKSA-N 1 3 287.429 -0.082 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)CCOC2CNC2)CC1 ZINC000349032563 353446013 /nfs/dbraw/zinc/44/60/13/353446013.db2.gz XKOWWEQYVNXEGK-UHFFFAOYSA-N 1 3 299.415 -0.018 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000349935838 353468574 /nfs/dbraw/zinc/46/85/74/353468574.db2.gz KLYRXRLUCHQPSM-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516527 353475785 /nfs/dbraw/zinc/47/57/85/353475785.db2.gz GFIUBMABENOZSJ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476916 /nfs/dbraw/zinc/47/69/16/353476916.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476919 /nfs/dbraw/zinc/47/69/19/353476919.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476922 /nfs/dbraw/zinc/47/69/22/353476922.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351774907 353476925 /nfs/dbraw/zinc/47/69/25/353476925.db2.gz PHAYFZWVNWIYNU-KPWCQOOUSA-N 1 3 272.389 -0.372 20 0 CBADHO CCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354700388 353578946 /nfs/dbraw/zinc/57/89/46/353578946.db2.gz ALQVWWVHCQUOFR-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000358110707 353627002 /nfs/dbraw/zinc/62/70/02/353627002.db2.gz NECMHHUXMCGIQR-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000358110707 353627005 /nfs/dbraw/zinc/62/70/05/353627005.db2.gz NECMHHUXMCGIQR-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357903368 353613209 /nfs/dbraw/zinc/61/32/09/353613209.db2.gz GGZBDJHIAUFOTE-KBPBESRZSA-N 1 3 299.415 -0.285 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000357930626 353615403 /nfs/dbraw/zinc/61/54/03/353615403.db2.gz OSAURQQLFGKNPN-MQYQWHSLSA-N 1 3 299.415 -0.285 20 0 CBADHO C[C@H]1CN(CCC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000359200736 353652298 /nfs/dbraw/zinc/65/22/98/353652298.db2.gz GXJRCDWQWQJJHN-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000357938307 353615975 /nfs/dbraw/zinc/61/59/75/353615975.db2.gz XVNSRKWZIMMUCS-SOUVJXGZSA-N 1 3 291.395 -0.002 20 0 CBADHO CN([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000363478487 353669728 /nfs/dbraw/zinc/66/97/28/353669728.db2.gz LUKNLUZCCZPGJB-KGLIPLIRSA-N 1 3 280.416 -0.025 20 0 CBADHO CC[N@H+](CCNC(=O)[C@H]1CN2CCN1CCC2)C1CC1 ZINC000371345853 353700898 /nfs/dbraw/zinc/70/08/98/353700898.db2.gz SUTVTFACFARAFZ-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[N@@H+](CCNC(=O)[C@H]1CN2CCN1CCC2)C1CC1 ZINC000371345853 353700899 /nfs/dbraw/zinc/70/08/99/353700899.db2.gz SUTVTFACFARAFZ-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000372902877 353724369 /nfs/dbraw/zinc/72/43/69/353724369.db2.gz JFJDXYWHGCJSCU-SLEUVZQESA-N 1 3 299.415 -0.129 20 0 CBADHO C[C@H]1NCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H]1C ZINC000375383584 353759635 /nfs/dbraw/zinc/75/96/35/353759635.db2.gz CXYBGWLAYRWMRU-WVWOOGAGSA-N 1 3 291.399 -0.068 20 0 CBADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376062482 353771223 /nfs/dbraw/zinc/77/12/23/353771223.db2.gz SCAABZLDWJBCRG-RWMBFGLXSA-N 1 3 268.405 -0.134 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000376719515 353775597 /nfs/dbraw/zinc/77/55/97/353775597.db2.gz DFLISQZFGPZJDP-YPMHNXCESA-N 1 3 273.352 -0.085 20 0 CBADHO CO[C@@]1(CNC[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400643 353783915 /nfs/dbraw/zinc/78/39/15/353783915.db2.gz WLMKXOKMXBVQPS-QWHCGFSZSA-N 1 3 258.362 -0.163 20 0 CBADHO CO[C@@]1(CNC[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400643 353783919 /nfs/dbraw/zinc/78/39/19/353783919.db2.gz WLMKXOKMXBVQPS-QWHCGFSZSA-N 1 3 258.362 -0.163 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000400151967 353799867 /nfs/dbraw/zinc/79/98/67/353799867.db2.gz BWMBSXILQDQXSM-OUAUKWLOSA-N 1 3 261.391 -0.263 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000388891485 353790282 /nfs/dbraw/zinc/79/02/82/353790282.db2.gz FWFWMVPSIDCIQY-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000388891485 353790287 /nfs/dbraw/zinc/79/02/87/353790287.db2.gz FWFWMVPSIDCIQY-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CNCCO1 ZINC000416789680 353973159 /nfs/dbraw/zinc/97/31/59/353973159.db2.gz KWILPMHSMOWDCI-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000417087284 353975445 /nfs/dbraw/zinc/97/54/45/353975445.db2.gz DXCWSYXCQBSHRF-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417698945 353981109 /nfs/dbraw/zinc/98/11/09/353981109.db2.gz FJTARZOMMCDWDS-NWDGAFQWSA-N 1 3 270.377 -0.256 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000417709421 353981876 /nfs/dbraw/zinc/98/18/76/353981876.db2.gz OVCQHHNOUJZXAH-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO COCCCN(C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417748420 353983102 /nfs/dbraw/zinc/98/31/02/353983102.db2.gz IEUSGEBIPLQBTK-LLVKDONJSA-N 1 3 260.382 -0.151 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCCN1C ZINC000418011598 353986214 /nfs/dbraw/zinc/98/62/14/353986214.db2.gz XBRSGUVTBIJWPY-WYUUTHIRSA-N 1 3 270.377 -0.557 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCOCCN(C)C ZINC000418063619 353987220 /nfs/dbraw/zinc/98/72/20/353987220.db2.gz HEXVRWKVXZRFPI-NSHDSACASA-N 1 3 260.382 -0.153 20 0 CBADHO C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000418286188 353989908 /nfs/dbraw/zinc/98/99/08/353989908.db2.gz HHZYZRYYYRJMJV-OLZOCXBDSA-N 1 3 283.420 -0.327 20 0 CBADHO C[NH2+]CCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000418280276 353990551 /nfs/dbraw/zinc/99/05/51/353990551.db2.gz RGDRMLZDRUBUKW-GFCCVEGCSA-N 1 3 272.393 -0.258 20 0 CBADHO C[NH2+]CCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418309809 353992670 /nfs/dbraw/zinc/99/26/70/353992670.db2.gz OBDIFKFCGZDMMZ-CYBMUJFWSA-N 1 3 286.420 -0.012 20 0 CBADHO CC[NH2+]CCNC(=O)N(CCOC)CCN(C)C ZINC000418317305 353993008 /nfs/dbraw/zinc/99/30/08/353993008.db2.gz MAXKWEVLEWDMOZ-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CNCCO1 ZINC000418453132 353997849 /nfs/dbraw/zinc/99/78/49/353997849.db2.gz YSANBRIOQCSKKZ-WDEREUQCSA-N 1 3 258.366 -0.209 20 0 CBADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CC[NH2+]C1 ZINC000418374691 353994829 /nfs/dbraw/zinc/99/48/29/353994829.db2.gz GYCTUIHGMHYVQN-VXGBXAGGSA-N 1 3 270.377 -0.506 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418362975 353995117 /nfs/dbraw/zinc/99/51/17/353995117.db2.gz BOEKQIJLNJJNCP-QWHCGFSZSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CCC[NH2+]C1 ZINC000418375630 353995173 /nfs/dbraw/zinc/99/51/73/353995173.db2.gz FAKVZIGYDUETQM-OLZOCXBDSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN1CCCO ZINC000418361133 353995206 /nfs/dbraw/zinc/99/52/06/353995206.db2.gz GSYFTMBIIBOQQC-OLZOCXBDSA-N 1 3 284.404 -0.116 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCOC2(CNC2)C1 ZINC000418446585 353997929 /nfs/dbraw/zinc/99/79/29/353997929.db2.gz OCRLNJBKGONIKC-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419236852 354039983 /nfs/dbraw/zinc/03/99/83/354039983.db2.gz LDSVUUNOEQPSCK-LLVKDONJSA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232040 354040435 /nfs/dbraw/zinc/04/04/35/354040435.db2.gz UBWILIKHXLUIIA-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419243652 354040853 /nfs/dbraw/zinc/04/08/53/354040853.db2.gz SQQWKOGAQVMQEN-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419281807 354043613 /nfs/dbraw/zinc/04/36/13/354043613.db2.gz HCHOFBLYAUPBKY-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CNCCO1 ZINC000418442480 353998322 /nfs/dbraw/zinc/99/83/22/353998322.db2.gz NAFBPVGQAAFTAD-QWRGUYRKSA-N 1 3 258.366 -0.353 20 0 CBADHO C[C@H](C[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418511921 353999856 /nfs/dbraw/zinc/99/98/56/353999856.db2.gz KLHRAHZVAPROJV-NEPJUHHUSA-N 1 3 272.393 -0.274 20 0 CBADHO C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418518239 354001299 /nfs/dbraw/zinc/00/12/99/354001299.db2.gz XADBDCMIJAJNDN-GFCCVEGCSA-N 1 3 297.403 -0.717 20 0 CBADHO C[C@@]1(CNC(=O)NC[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000418536141 354002679 /nfs/dbraw/zinc/00/26/79/354002679.db2.gz IKIRTFAGSQYWIR-DGCLKSJQSA-N 1 3 270.377 -0.336 20 0 CBADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CNCCO1)C1CCCC1 ZINC000418598162 354003140 /nfs/dbraw/zinc/00/31/40/354003140.db2.gz QIKSLNXSFXZBJZ-NEPJUHHUSA-N 1 3 270.377 -0.209 20 0 CBADHO CN(CCN1CCCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418666536 354005054 /nfs/dbraw/zinc/00/50/54/354005054.db2.gz FAZHSMAQWORYOK-GDNZZTSVSA-N 1 3 252.362 -0.059 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN2CCC[C@@H]2C1 ZINC000418675313 354005144 /nfs/dbraw/zinc/00/51/44/354005144.db2.gz RKBWKDWONXYYQH-WYUUTHIRSA-N 1 3 250.346 -0.306 20 0 CBADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679412 354005918 /nfs/dbraw/zinc/00/59/18/354005918.db2.gz WUVIOSLTKXKLLU-NNYUYHANSA-N 1 3 252.362 -0.060 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NCCNc1ccncc1 ZINC000418728790 354006083 /nfs/dbraw/zinc/00/60/83/354006083.db2.gz NQHRLLPKAXBHPT-JTQLQIEISA-N 1 3 251.334 -0.048 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N(CCOC)CCN(C)C ZINC000418705512 354006443 /nfs/dbraw/zinc/00/64/43/354006443.db2.gz DPLWJWJQJRRMGE-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000418758244 354007288 /nfs/dbraw/zinc/00/72/88/354007288.db2.gz FISCHDBSMHYBCB-SDDRHHMPSA-N 1 3 270.377 -0.114 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000418763049 354007926 /nfs/dbraw/zinc/00/79/26/354007926.db2.gz JIAZIRVSHCNMMQ-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO CCN1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418771370 354008922 /nfs/dbraw/zinc/00/89/22/354008922.db2.gz VPUBNUMHAXJVPZ-CYBMUJFWSA-N 1 3 283.420 -0.373 20 0 CBADHO CC(C)(CNC(=O)C(=O)NCC[NH3+])N1CCCCC1 ZINC000418836178 354011393 /nfs/dbraw/zinc/01/13/93/354011393.db2.gz PIPZCJCYVQVASZ-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[NH3+])N(C)Cc1ccccc1 ZINC000418971035 354017641 /nfs/dbraw/zinc/01/76/41/354017641.db2.gz XBASSLOJIJCXHA-LBPRGKRZSA-N 1 3 292.383 -0.302 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419018327 354023561 /nfs/dbraw/zinc/02/35/61/354023561.db2.gz BWAHTNZIJWFIKK-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018923 354024512 /nfs/dbraw/zinc/02/45/12/354024512.db2.gz CVUSIUXPAPZSSG-YVECIDJPSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030614 354025171 /nfs/dbraw/zinc/02/51/71/354025171.db2.gz UBYHNKDNTYHFID-UPJWGTAASA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419081216 354027578 /nfs/dbraw/zinc/02/75/78/354027578.db2.gz RHTSMVBRUXSKOQ-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419111653 354028365 /nfs/dbraw/zinc/02/83/65/354028365.db2.gz UGYDVRXLCSHCMT-WCQYABFASA-N 1 3 296.415 -0.075 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419107831 354028907 /nfs/dbraw/zinc/02/89/07/354028907.db2.gz QAFBHLHKIMBRNC-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419138169 354030305 /nfs/dbraw/zinc/03/03/05/354030305.db2.gz QKGIIIWZDOZYGN-UPJWGTAASA-N 1 3 296.415 -0.171 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419283581 354043298 /nfs/dbraw/zinc/04/32/98/354043298.db2.gz JQFMDIGHVDMHKR-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419282287 354043668 /nfs/dbraw/zinc/04/36/68/354043668.db2.gz HTQXLPSDGZOVAN-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419585682 354063595 /nfs/dbraw/zinc/06/35/95/354063595.db2.gz LXTSSSNJRSPYDJ-MNOVXSKESA-N 1 3 282.388 -0.547 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419585694 354064168 /nfs/dbraw/zinc/06/41/68/354064168.db2.gz MAGXQZCAZKGGNK-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000419581583 354064200 /nfs/dbraw/zinc/06/42/00/354064200.db2.gz INYWJVSCFRZQSZ-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419580879 354064230 /nfs/dbraw/zinc/06/42/30/354064230.db2.gz HVFSLDMTQOUWKP-ZYHUDNBSSA-N 1 3 282.388 -0.465 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000419591373 354064570 /nfs/dbraw/zinc/06/45/70/354064570.db2.gz QXYINZOUJUSNQX-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N(C)C1CC1 ZINC000419587105 354064710 /nfs/dbraw/zinc/06/47/10/354064710.db2.gz NGEKBAIBLVYKIH-SNVBAGLBSA-N 1 3 282.388 -0.417 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419586406 354064819 /nfs/dbraw/zinc/06/48/19/354064819.db2.gz MWIUAUHUNYADOT-JQWIXIFHSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419590908 354065243 /nfs/dbraw/zinc/06/52/43/354065243.db2.gz QUKZTBRORVYRGE-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419587028 354065461 /nfs/dbraw/zinc/06/54/61/354065461.db2.gz NDWLIVAMVQUVPU-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419590378 354065682 /nfs/dbraw/zinc/06/56/82/354065682.db2.gz QGCMSSSCNQFFAK-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419697185 354070133 /nfs/dbraw/zinc/07/01/33/354070133.db2.gz QHFMRNKJUWQMGF-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698025 354070541 /nfs/dbraw/zinc/07/05/41/354070541.db2.gz RRLPHQXQEUBVCM-QWRGUYRKSA-N 1 3 282.388 -0.417 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419718040 354072136 /nfs/dbraw/zinc/07/21/36/354072136.db2.gz AKEUQKZFVAGRJB-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419720576 354072247 /nfs/dbraw/zinc/07/22/47/354072247.db2.gz FTEJVBCKNFHNMN-SNVBAGLBSA-N 1 3 258.366 -0.845 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419733519 354073678 /nfs/dbraw/zinc/07/36/78/354073678.db2.gz NUOMBJLSQXIFKF-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419741745 354074831 /nfs/dbraw/zinc/07/48/31/354074831.db2.gz ZKTNNNYEBNTLJJ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419740801 354074864 /nfs/dbraw/zinc/07/48/64/354074864.db2.gz YFFYHSLPLAMDCX-OAHLLOKOSA-N 1 3 296.415 -0.344 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419759139 354074927 /nfs/dbraw/zinc/07/49/27/354074927.db2.gz GETHAGIOSMZHOZ-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419765737 354075839 /nfs/dbraw/zinc/07/58/39/354075839.db2.gz QYRMZSILJNJHAZ-BETUJISGSA-N 1 3 296.415 -0.488 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419769244 354076246 /nfs/dbraw/zinc/07/62/46/354076246.db2.gz DOUZEBLFFPBBMB-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN)C[NH+]1CCCC1 ZINC000419839947 354082999 /nfs/dbraw/zinc/08/29/99/354082999.db2.gz ZAXFEOSOBWBLEY-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH2+]C ZINC000419842118 354083129 /nfs/dbraw/zinc/08/31/29/354083129.db2.gz HEPSAEJDBCYRGU-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838555 354083169 /nfs/dbraw/zinc/08/31/69/354083169.db2.gz GBZUBTLSFCONPS-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)C[NH+]1CCCC1 ZINC000419838234 354083447 /nfs/dbraw/zinc/08/34/47/354083447.db2.gz XNMOTWSSNAXGJY-YPMHNXCESA-N 1 3 296.415 -0.312 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419863299 354086156 /nfs/dbraw/zinc/08/61/56/354086156.db2.gz CNPGQAKAMUNXJO-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419286437 354044325 /nfs/dbraw/zinc/04/43/25/354044325.db2.gz ONXZNOUHIQFHKY-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419412582 354052334 /nfs/dbraw/zinc/05/23/34/354052334.db2.gz RAJURXKHPVVEJM-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419412067 354052557 /nfs/dbraw/zinc/05/25/57/354052557.db2.gz QLCZTSSZKDZJTP-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419411505 354052701 /nfs/dbraw/zinc/05/27/01/354052701.db2.gz PWQFNLNLEIKKGS-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419417095 354053824 /nfs/dbraw/zinc/05/38/24/354053824.db2.gz HTHHQTKOFFUVCO-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419417647 354053878 /nfs/dbraw/zinc/05/38/78/354053878.db2.gz XKDQVIPLMSBREC-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419522649 354057780 /nfs/dbraw/zinc/05/77/80/354057780.db2.gz MYQUMERBLSMCBD-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419529415 354058500 /nfs/dbraw/zinc/05/85/00/354058500.db2.gz XQHYSKJTLSOJSQ-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419527432 354058542 /nfs/dbraw/zinc/05/85/42/354058542.db2.gz VBDJLYINHRQTJC-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000419525212 354058603 /nfs/dbraw/zinc/05/86/03/354058603.db2.gz RCZDFQIULFOAQB-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419529437 354058728 /nfs/dbraw/zinc/05/87/28/354058728.db2.gz XTBIXCFVZGZPEH-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CCNC(=O)C(=O)NCCC[NH2+]C)C1CC1 ZINC000419526489 354058841 /nfs/dbraw/zinc/05/88/41/354058841.db2.gz TWAGFUQSSFQEMY-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553299 354060943 /nfs/dbraw/zinc/06/09/43/354060943.db2.gz YMZVNQAUMLEIPH-QWRGUYRKSA-N 1 3 286.420 -0.116 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000419897895 354091781 /nfs/dbraw/zinc/09/17/81/354091781.db2.gz WMSORNCPVFMGKF-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903783 354091827 /nfs/dbraw/zinc/09/18/27/354091827.db2.gz WXCUZGAQQNSYMT-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H]1N(C)C ZINC000419930519 354094399 /nfs/dbraw/zinc/09/43/99/354094399.db2.gz BGTUTNJRQHIGRB-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419940369 354094544 /nfs/dbraw/zinc/09/45/44/354094544.db2.gz KPDCYKNTYDNQDS-NSHDSACASA-N 1 3 272.393 -0.504 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944845 354095365 /nfs/dbraw/zinc/09/53/65/354095365.db2.gz BQLHYZHHQPNEJX-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944848 354095401 /nfs/dbraw/zinc/09/54/01/354095401.db2.gz BQLHYZHHQPNEJX-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000419949433 354095601 /nfs/dbraw/zinc/09/56/01/354095601.db2.gz LGFSHFDELOCKSA-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419953625 354096570 /nfs/dbraw/zinc/09/65/70/354096570.db2.gz LECPWBXQMQXEMP-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000419970807 354098128 /nfs/dbraw/zinc/09/81/28/354098128.db2.gz CMICMZVWODRWCP-GFCCVEGCSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419966384 354098179 /nfs/dbraw/zinc/09/81/79/354098179.db2.gz ZQZXQYWRXDMJHP-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419981801 354100514 /nfs/dbraw/zinc/10/05/14/354100514.db2.gz APODRCMERDYSPN-NSHDSACASA-N 1 3 272.393 -0.362 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419998010 354101253 /nfs/dbraw/zinc/10/12/53/354101253.db2.gz MHKIXVSFCBIHMT-VXGBXAGGSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000420021008 354103139 /nfs/dbraw/zinc/10/31/39/354103139.db2.gz GRGPEWNTXIFGKK-WOPDTQHZSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H](C)CN)C[NH+]1CCCCC1 ZINC000420032736 354103945 /nfs/dbraw/zinc/10/39/45/354103945.db2.gz UTUMIDWTMMXDPG-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000420026834 354104517 /nfs/dbraw/zinc/10/45/17/354104517.db2.gz JUEBIFWOHHQKDQ-SDDRHHMPSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420063332 354106146 /nfs/dbraw/zinc/10/61/46/354106146.db2.gz NDYXPPYZPPCGFA-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420084028 354108609 /nfs/dbraw/zinc/10/86/09/354108609.db2.gz YECWAIALJASFJP-UHFFFAOYSA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000420107311 354109442 /nfs/dbraw/zinc/10/94/42/354109442.db2.gz ATWBCHGWDMYOHM-AGIUHOORSA-N 1 3 296.415 -0.347 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299334 354121874 /nfs/dbraw/zinc/12/18/74/354121874.db2.gz ASOCNCZNIPNTCL-MJBXVCDLSA-N 1 3 280.416 -0.180 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CN)CC1 ZINC000420286128 354121982 /nfs/dbraw/zinc/12/19/82/354121982.db2.gz FPVZACVQQBJVEA-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CCC[C@H]2CN)CC1 ZINC000420286128 354121983 /nfs/dbraw/zinc/12/19/83/354121983.db2.gz FPVZACVQQBJVEA-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO COC(=O)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420313172 354123247 /nfs/dbraw/zinc/12/32/47/354123247.db2.gz PGSYUYGDGYHTHL-LLVKDONJSA-N 1 3 271.361 -0.131 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC(=O)N1CCNCC1 ZINC000420366285 354125650 /nfs/dbraw/zinc/12/56/50/354125650.db2.gz LZZNXXVSDZIPSS-BZPMIXESSA-N 1 3 268.405 -0.216 20 0 CBADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000420366285 354125652 /nfs/dbraw/zinc/12/56/52/354125652.db2.gz LZZNXXVSDZIPSS-BZPMIXESSA-N 1 3 268.405 -0.216 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000423244836 354166026 /nfs/dbraw/zinc/16/60/26/354166026.db2.gz XVICFUXDVJHRHN-NWDGAFQWSA-N 1 3 282.388 -0.641 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000423244838 354166149 /nfs/dbraw/zinc/16/61/49/354166149.db2.gz XVICFUXDVJHRHN-VXGBXAGGSA-N 1 3 282.388 -0.641 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1N(C)C ZINC000423355495 354171554 /nfs/dbraw/zinc/17/15/54/354171554.db2.gz PCFJJIJXOWHKEU-TUAOUCFPSA-N 1 3 282.388 -0.655 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423394073 354174926 /nfs/dbraw/zinc/17/49/26/354174926.db2.gz ZLAGWKBZVWXQBH-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000422044309 354142613 /nfs/dbraw/zinc/14/26/13/354142613.db2.gz XLPBOUBCFYIDJG-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000422044309 354142614 /nfs/dbraw/zinc/14/26/14/354142614.db2.gz XLPBOUBCFYIDJG-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422534787 354148177 /nfs/dbraw/zinc/14/81/77/354148177.db2.gz BNVBCKNYHAQBSH-NMKXLXIOSA-N 1 3 298.431 -0.082 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422970868 354158300 /nfs/dbraw/zinc/15/83/00/354158300.db2.gz HHOFYQXMHVPYMW-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCS(=O)(=O)N1CC(CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423055003 354161191 /nfs/dbraw/zinc/16/11/91/354161191.db2.gz CNTYMQZBJHXNEP-ZYHUDNBSSA-N 1 3 275.418 -0.145 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423064276 354161513 /nfs/dbraw/zinc/16/15/13/354161513.db2.gz YRFKPJSWILDGPW-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423058596 354161706 /nfs/dbraw/zinc/16/17/06/354161706.db2.gz CSIYCFJASCWYGR-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423066052 354161895 /nfs/dbraw/zinc/16/18/95/354161895.db2.gz VYMUEZXAVWMEPB-CYBMUJFWSA-N 1 3 298.431 -0.018 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000423523859 354179060 /nfs/dbraw/zinc/17/90/60/354179060.db2.gz NUOPJLLUKYQBFO-NSHDSACASA-N 1 3 282.388 -0.641 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423580184 354181520 /nfs/dbraw/zinc/18/15/20/354181520.db2.gz RCPJFZKLJICLGA-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000423586717 354181960 /nfs/dbraw/zinc/18/19/60/354181960.db2.gz DXMRRHRFWHQIBI-STQMWFEESA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423712307 354192945 /nfs/dbraw/zinc/19/29/45/354192945.db2.gz CXJTUKMVXUOQRB-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1[NH3+] ZINC000423732677 354195167 /nfs/dbraw/zinc/19/51/67/354195167.db2.gz ZNTFJCQTIRHADK-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC[NH2+]1 ZINC000423752758 354197405 /nfs/dbraw/zinc/19/74/05/354197405.db2.gz WFNKWUSOCVYGII-NWDGAFQWSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC[NH2+]1 ZINC000423752760 354197414 /nfs/dbraw/zinc/19/74/14/354197414.db2.gz WFNKWUSOCVYGII-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839884 354202074 /nfs/dbraw/zinc/20/20/74/354202074.db2.gz DEJSSVWREVSJGK-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954382 354206411 /nfs/dbraw/zinc/20/64/11/354206411.db2.gz MVKZEYWKJRNSTI-RYUDHWBXSA-N 1 3 298.431 -0.114 20 0 CBADHO C[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000424016685 354207030 /nfs/dbraw/zinc/20/70/30/354207030.db2.gz DDGOADSQBHRYAS-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC(C)(C)CC[NH3+])CC1=O ZINC000424049707 354208388 /nfs/dbraw/zinc/20/83/88/354208388.db2.gz YEFIHOCGICSVGA-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N(C)C ZINC000424157185 354212492 /nfs/dbraw/zinc/21/24/92/354212492.db2.gz PNNWGKYQZVBTMG-GHMZBOCLSA-N 1 3 280.376 -0.118 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423522626 354178514 /nfs/dbraw/zinc/17/85/14/354178514.db2.gz XUNYTEDGIQIPIM-VXGBXAGGSA-N 1 3 284.404 -0.409 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639180 354247314 /nfs/dbraw/zinc/24/73/14/354247314.db2.gz DTXXWYOFCDNUQT-CHWSQXEVSA-N 1 3 268.405 -0.119 20 0 CBADHO C[NH2+]CCCN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000435873685 354255368 /nfs/dbraw/zinc/25/53/68/354255368.db2.gz FKVRAFZNCYCBJB-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO COCCOCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436054822 354255822 /nfs/dbraw/zinc/25/58/22/354255822.db2.gz AGBWBEGDLFTJJF-ZDUSSCGKSA-N 1 3 287.404 -0.031 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447437103 354298531 /nfs/dbraw/zinc/29/85/31/354298531.db2.gz CCPPSVZQXWURNM-STQMWFEESA-N 1 3 286.420 -0.508 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454550585 354356362 /nfs/dbraw/zinc/35/63/62/354356362.db2.gz RFUGINRSXDLLQN-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO O=C(NCCC[NH+]1CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000448595395 354315948 /nfs/dbraw/zinc/31/59/48/354315948.db2.gz HLGFWTFLDPAKIM-AWEZNQCLSA-N 1 3 280.416 -0.022 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000449608054 354320571 /nfs/dbraw/zinc/32/05/71/354320571.db2.gz DQPYNCWADZEJTD-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749894 354321797 /nfs/dbraw/zinc/32/17/97/354321797.db2.gz HDTWULNYJYGZGB-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(CCNC(=O)NCCOCC[NH+](C)C)C1CC1 ZINC000471636864 354401594 /nfs/dbraw/zinc/40/15/94/354401594.db2.gz OTZPMDXKVDYJOP-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO COC(=O)N(C)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000492865929 354483311 /nfs/dbraw/zinc/48/33/11/354483311.db2.gz NPCPFGJPHZZTDC-UHFFFAOYSA-N 1 3 288.392 -0.364 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCN(C2CC2)C1 ZINC000515402580 354555804 /nfs/dbraw/zinc/55/58/04/354555804.db2.gz FHIXNQINZWIJQH-OHBODLIOSA-N 1 3 250.346 -0.260 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000515523112 354556080 /nfs/dbraw/zinc/55/60/80/354556080.db2.gz OFXMTXKBSIXWGH-GRYCIOLGSA-N 1 3 269.393 -0.731 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000520565586 354568543 /nfs/dbraw/zinc/56/85/43/354568543.db2.gz OJMWGNUPJNOIQX-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCCC1 ZINC000534268718 354596389 /nfs/dbraw/zinc/59/63/89/354596389.db2.gz UJRIBIUTYPJBIJ-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+](C)C1CC1 ZINC000546590835 354653464 /nfs/dbraw/zinc/65/34/64/354653464.db2.gz NUORUXPOCVSKGU-SMDDNHRTSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+](C)C1CC1 ZINC000546590835 354653467 /nfs/dbraw/zinc/65/34/67/354653467.db2.gz NUORUXPOCVSKGU-SMDDNHRTSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]1CCN(C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000562812675 354687985 /nfs/dbraw/zinc/68/79/85/354687985.db2.gz NECOKDWYHWMLKE-ZDUSSCGKSA-N 1 3 283.420 -0.373 20 0 CBADHO COC[C@@]1(CNC(=O)N2CCN(C)C[C@@H]2CN)CCC[NH2+]1 ZINC000562815800 354688258 /nfs/dbraw/zinc/68/82/58/354688258.db2.gz BFHSNTYVUDCHCD-JSGCOSHPSA-N 1 3 299.419 -0.961 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562800017 354688343 /nfs/dbraw/zinc/68/83/43/354688343.db2.gz DNYYIHODRZSHEE-WUHRBBMRSA-N 1 3 282.388 -0.386 20 0 CBADHO C[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000563007744 354691875 /nfs/dbraw/zinc/69/18/75/354691875.db2.gz MRPCCHWALQJRHP-ZDUSSCGKSA-N 1 3 271.405 -0.247 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000563063285 354693876 /nfs/dbraw/zinc/69/38/76/354693876.db2.gz WCFFRHFRRJORQC-NSHDSACASA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000563063285 354693879 /nfs/dbraw/zinc/69/38/79/354693879.db2.gz WCFFRHFRRJORQC-NSHDSACASA-N 1 3 255.362 -0.179 20 0 CBADHO O=C(CCN1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000563150064 354700196 /nfs/dbraw/zinc/70/01/96/354700196.db2.gz XUJKQVBOCLJHOU-OLZOCXBDSA-N 1 3 266.389 -0.650 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563956368 354707767 /nfs/dbraw/zinc/70/77/67/354707767.db2.gz NXDRDWNCZSMAPE-KGLIPLIRSA-N 1 3 296.415 -0.739 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563956370 354707935 /nfs/dbraw/zinc/70/79/35/354707935.db2.gz NXDRDWNCZSMAPE-ZIAGYGMSSA-N 1 3 296.415 -0.739 20 0 CBADHO CCN(CC)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565237038 354733626 /nfs/dbraw/zinc/73/36/26/354733626.db2.gz AZJAAOWGCPLULJ-QWRGUYRKSA-N 1 3 268.361 -0.901 20 0 CBADHO C[C@H](C[NH3+])NC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000564950353 354722076 /nfs/dbraw/zinc/72/20/76/354722076.db2.gz SMZZHJRFDQLRGC-BSTOTGJRSA-N 1 3 255.362 -0.018 20 0 CBADHO C[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564948711 354722250 /nfs/dbraw/zinc/72/22/50/354722250.db2.gz IRLKCOUIPSCJNB-UWVGGRQHSA-N 1 3 256.350 -0.820 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000564989358 354724952 /nfs/dbraw/zinc/72/49/52/354724952.db2.gz MUISKBCAAAGCNT-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000565040797 354726354 /nfs/dbraw/zinc/72/63/54/354726354.db2.gz XVWFWDALVORDQE-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000566000197 354749620 /nfs/dbraw/zinc/74/96/20/354749620.db2.gz KEQGOVDXGWBBDA-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCNCC1 ZINC000566017420 354750527 /nfs/dbraw/zinc/75/05/27/354750527.db2.gz VJXLIFQUXFBIFZ-VXGBXAGGSA-N 1 3 254.378 -0.380 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCNCC1 ZINC000566017419 354750636 /nfs/dbraw/zinc/75/06/36/354750636.db2.gz VJXLIFQUXFBIFZ-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO [NH3+]CCCn1cc(C(=O)N[C@@H]2CNCCC2(F)F)nn1 ZINC000566213614 354757717 /nfs/dbraw/zinc/75/77/17/354757717.db2.gz YFMJZUGPZPQSFC-SECBINFHSA-N 1 3 288.302 -0.646 20 0 CBADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)CC[NH2+]1 ZINC000566230349 354758051 /nfs/dbraw/zinc/75/80/51/354758051.db2.gz HKUHWRCKJCNLGX-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000566244669 354759337 /nfs/dbraw/zinc/75/93/37/354759337.db2.gz OSWTYHNXNXURKD-GFCCVEGCSA-N 1 3 254.378 -0.521 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000566248911 354759896 /nfs/dbraw/zinc/75/98/96/354759896.db2.gz MDYNUXGHXQHYGS-GXTWGEPZSA-N 1 3 284.404 -0.408 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000566511031 354769780 /nfs/dbraw/zinc/76/97/80/354769780.db2.gz GZFXFWUWQVHGEE-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CN1CCN(C(=O)CCNCC2([NH3+])CCC2)CC1 ZINC000566678696 354772962 /nfs/dbraw/zinc/77/29/62/354772962.db2.gz KDXLGKGXBRSAGT-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO CN1CCN(C(=O)CC[NH2+]CC2(N)CCC2)CC1 ZINC000566678696 354772963 /nfs/dbraw/zinc/77/29/63/354772963.db2.gz KDXLGKGXBRSAGT-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)O ZINC000566792098 354774717 /nfs/dbraw/zinc/77/47/17/354774717.db2.gz KLVAUBSGPYSZHI-GRYCIOLGSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)O ZINC000566792098 354774718 /nfs/dbraw/zinc/77/47/18/354774718.db2.gz KLVAUBSGPYSZHI-GRYCIOLGSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)CCN1CCN(CC)CC1 ZINC000566916891 354777022 /nfs/dbraw/zinc/77/70/22/354777022.db2.gz CYNQAZWPSZVPSA-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO CCC[C@@H](N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000566915138 354777251 /nfs/dbraw/zinc/77/72/51/354777251.db2.gz TZLKOBGIHPMFCW-BZPMIXESSA-N 1 3 296.415 -0.123 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000567111505 354781134 /nfs/dbraw/zinc/78/11/34/354781134.db2.gz CAKBVNUJMLUZHS-WOPDTQHZSA-N 1 3 283.372 -0.181 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000567262423 354784008 /nfs/dbraw/zinc/78/40/08/354784008.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000567262423 354784012 /nfs/dbraw/zinc/78/40/12/354784012.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@H](C)N(C)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000567262423 354784016 /nfs/dbraw/zinc/78/40/16/354784016.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 1 3 286.464 -0.085 20 0 CBADHO C[C@H](NC(=O)C[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC000567267809 354785094 /nfs/dbraw/zinc/78/50/94/354785094.db2.gz QCRGFHOKFILCFQ-QJPTWQEYSA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565372381 354736862 /nfs/dbraw/zinc/73/68/62/354736862.db2.gz NYRUFJSQIDBOBQ-KXUCPTDWSA-N 1 3 268.361 -0.870 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000565477722 354738883 /nfs/dbraw/zinc/73/88/83/354738883.db2.gz POZPJGUHSAAFSB-CYBMUJFWSA-N 1 3 299.415 -0.018 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000565471034 354739005 /nfs/dbraw/zinc/73/90/05/354739005.db2.gz JBKUQURKGFSBLH-GFCCVEGCSA-N 1 3 271.409 -0.341 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000567871637 354801887 /nfs/dbraw/zinc/80/18/87/354801887.db2.gz ZXMJRNRWZKGQDC-ZFWWWQNUSA-N 1 3 280.416 -0.131 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000567880064 354802672 /nfs/dbraw/zinc/80/26/72/354802672.db2.gz AYQXOECRBOQTDD-FIQHERPVSA-N 1 3 284.404 -0.173 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@@H](CO)CN1CCCC1)C1CC1 ZINC000567874437 354802695 /nfs/dbraw/zinc/80/26/95/354802695.db2.gz NQLGCIYXCDVRNL-OCCSQVGLSA-N 1 3 271.405 -0.512 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@@H](CO)CN1CCCC1)C1CC1 ZINC000567874437 354802696 /nfs/dbraw/zinc/80/26/96/354802696.db2.gz NQLGCIYXCDVRNL-OCCSQVGLSA-N 1 3 271.405 -0.512 20 0 CBADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000567875425 354802748 /nfs/dbraw/zinc/80/27/48/354802748.db2.gz DQHRSUNOJGSADZ-GJZGRUSLSA-N 1 3 296.415 -0.074 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567900025 354803970 /nfs/dbraw/zinc/80/39/70/354803970.db2.gz HRXVSHVKDYVLNP-LOWVWBTDSA-N 1 3 284.404 -0.280 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000567910633 354805516 /nfs/dbraw/zinc/80/55/16/354805516.db2.gz AKYMSKJUSAWZKU-AAEUAGOBSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@H](NC(=O)CCOC1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000568076354 354809653 /nfs/dbraw/zinc/80/96/53/354809653.db2.gz GCHLPUGHJITBHF-WDEREUQCSA-N 1 3 255.362 -0.131 20 0 CBADHO COC[C@]1(CNC(=O)C[C@@H]2CSCCN2)CCC[NH2+]1 ZINC000568381337 354822543 /nfs/dbraw/zinc/82/25/43/354822543.db2.gz HNAFQRLNVFUECJ-DGCLKSJQSA-N 1 3 287.429 -0.034 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000568527153 354826291 /nfs/dbraw/zinc/82/62/91/354826291.db2.gz QKCZNADIXDXYKV-QWRGUYRKSA-N 1 3 271.361 -0.181 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000568750016 354830684 /nfs/dbraw/zinc/83/06/84/354830684.db2.gz RNHXUNLXXQPTME-HZSPNIEDSA-N 1 3 280.416 -0.275 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000567716808 354794728 /nfs/dbraw/zinc/79/47/28/354794728.db2.gz HBTJKEMRPIVKOK-NSHDSACASA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1=CCN(C)CC1 ZINC000567711014 354794785 /nfs/dbraw/zinc/79/47/85/354794785.db2.gz XNYPIWFSLKGQPA-DZGCQCFKSA-N 1 3 283.416 -0.081 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000570827252 354870604 /nfs/dbraw/zinc/87/06/04/354870604.db2.gz NECUSVYBHPXDDV-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(COC1CNC1)NCCC[NH2+]Cc1cccnc1 ZINC000570961880 354873960 /nfs/dbraw/zinc/87/39/60/354873960.db2.gz CDXVPBBOCPWASW-UHFFFAOYSA-N 1 3 278.356 -0.334 20 0 CBADHO CCN(CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000571059729 354875767 /nfs/dbraw/zinc/87/57/67/354875767.db2.gz SQSRHSAPJQKUAO-GDNZZTSVSA-N 1 3 252.362 -0.012 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000569220643 354840279 /nfs/dbraw/zinc/84/02/79/354840279.db2.gz ZXOYXZPMZKYADU-MXWKQRLJSA-N 1 3 271.361 -0.147 20 0 CBADHO C[C@@H](CNC(=O)C1(C)C[NH2+]C1)CN1CCN(C)CC1 ZINC000569808329 354846344 /nfs/dbraw/zinc/84/63/44/354846344.db2.gz ZIIOSUDTLRVDGW-LBPRGKRZSA-N 1 3 268.405 -0.404 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000569821681 354847361 /nfs/dbraw/zinc/84/73/61/354847361.db2.gz IHQZEVWIQLQANE-AAXDQBDMSA-N 1 3 284.404 -0.411 20 0 CBADHO CCOC[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960521 354850690 /nfs/dbraw/zinc/85/06/90/354850690.db2.gz KQPQTRHSJJFPGF-OLZOCXBDSA-N 1 3 287.404 -0.439 20 0 CBADHO CCOC[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960521 354850692 /nfs/dbraw/zinc/85/06/92/354850692.db2.gz KQPQTRHSJJFPGF-OLZOCXBDSA-N 1 3 287.404 -0.439 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000569967543 354851735 /nfs/dbraw/zinc/85/17/35/354851735.db2.gz UGPXHNUOUBKZGT-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000569967543 354851738 /nfs/dbraw/zinc/85/17/38/354851738.db2.gz UGPXHNUOUBKZGT-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000570106278 354855006 /nfs/dbraw/zinc/85/50/06/354855006.db2.gz BERGDUCHXMNPJL-RYUDHWBXSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000570329677 354859487 /nfs/dbraw/zinc/85/94/87/354859487.db2.gz DUNIOMJGIYFWNF-WDEREUQCSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)CCOC2CNC2)C1 ZINC000570520430 354864026 /nfs/dbraw/zinc/86/40/26/354864026.db2.gz XNCVFPKRSGOOEQ-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)CCOC2CNC2)C1 ZINC000570520430 354864028 /nfs/dbraw/zinc/86/40/28/354864028.db2.gz XNCVFPKRSGOOEQ-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO CN1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000570568704 354864796 /nfs/dbraw/zinc/86/47/96/354864796.db2.gz DWTTZWXEWQXIGO-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO C[NH2+]CCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000570630574 354865731 /nfs/dbraw/zinc/86/57/31/354865731.db2.gz BSRXFFKAPPIFTQ-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000572347026 354891625 /nfs/dbraw/zinc/89/16/25/354891625.db2.gz PJZQAOBAAWISGX-SRVKXCTJSA-N 1 3 254.378 -0.524 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572736050 354897058 /nfs/dbraw/zinc/89/70/58/354897058.db2.gz IORUWRVNXCEJRE-YVECIDJPSA-N 1 3 294.399 -0.370 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572736050 354897060 /nfs/dbraw/zinc/89/70/60/354897060.db2.gz IORUWRVNXCEJRE-YVECIDJPSA-N 1 3 294.399 -0.370 20 0 CBADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000573075195 354904097 /nfs/dbraw/zinc/90/40/97/354904097.db2.gz NDOFPTVPUAOSIZ-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000573108245 354904943 /nfs/dbraw/zinc/90/49/43/354904943.db2.gz XFZRXLMKHMTAED-CHWSQXEVSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@H]1CCN(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000573218820 354908438 /nfs/dbraw/zinc/90/84/38/354908438.db2.gz PWLKDMBPSHFVBC-SRVKXCTJSA-N 1 3 255.362 -0.539 20 0 CBADHO CCS(=O)(=O)NCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573370901 354911008 /nfs/dbraw/zinc/91/10/08/354911008.db2.gz POSWBTJFANFBQO-TXEJJXNPSA-N 1 3 275.418 -0.143 20 0 CBADHO NC(=O)NC(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000571790266 354880310 /nfs/dbraw/zinc/88/03/10/354880310.db2.gz FVODIYHALKTDOT-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO NC(=O)NC(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571790266 354880313 /nfs/dbraw/zinc/88/03/13/354880313.db2.gz FVODIYHALKTDOT-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO NC(=O)NC(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571790266 354880316 /nfs/dbraw/zinc/88/03/16/354880316.db2.gz FVODIYHALKTDOT-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577621387 354938379 /nfs/dbraw/zinc/93/83/79/354938379.db2.gz ARIRHVQDMUXMFW-CQSZACIVSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@]1(C[NH3+])CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000578126931 354939186 /nfs/dbraw/zinc/93/91/86/354939186.db2.gz HXWXVQSDBLMICP-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@@H](NCCn2cccn2)C1=O ZINC000578879445 354957576 /nfs/dbraw/zinc/95/75/76/354957576.db2.gz VLZHHTTVHYLASX-LLVKDONJSA-N 1 3 279.344 -0.838 20 0 CBADHO CC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000578893983 354958480 /nfs/dbraw/zinc/95/84/80/354958480.db2.gz IPGDXLJCMXQKCP-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CCC[NH2+]CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000579212155 354963953 /nfs/dbraw/zinc/96/39/53/354963953.db2.gz CSAIOHFSAJPLLG-NSHDSACASA-N 1 3 257.382 -0.730 20 0 CBADHO CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000579333388 354967445 /nfs/dbraw/zinc/96/74/45/354967445.db2.gz BGLDKHNWJQRTMX-VXGBXAGGSA-N 1 3 269.393 -0.587 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)C(C)S(C)(=O)=O ZINC000579589183 354973536 /nfs/dbraw/zinc/97/35/36/354973536.db2.gz ARCKVNMESPQTGZ-VIFPVBQESA-N 1 3 250.364 -0.076 20 0 CBADHO CC1CCN(C[C@@H](O)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000580074329 354986951 /nfs/dbraw/zinc/98/69/51/354986951.db2.gz OSRBTPYLTBKCNR-NSHDSACASA-N 1 3 286.376 -0.746 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000580312531 354992468 /nfs/dbraw/zinc/99/24/68/354992468.db2.gz WBOHTBDCEMNMOS-PWSUYJOCSA-N 1 3 270.377 -0.798 20 0 CBADHO CC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582237827 355011297 /nfs/dbraw/zinc/01/12/97/355011297.db2.gz AOTGVWZHVJYUJO-WDEREUQCSA-N 1 3 270.377 -0.573 20 0 CBADHO CC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000582237827 355011299 /nfs/dbraw/zinc/01/12/99/355011299.db2.gz AOTGVWZHVJYUJO-WDEREUQCSA-N 1 3 270.377 -0.573 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240783 355012088 /nfs/dbraw/zinc/01/20/88/355012088.db2.gz LTFBQRKKAOPRAX-XBXRNYETSA-N 1 3 279.384 -0.147 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000582242681 355012180 /nfs/dbraw/zinc/01/21/80/355012180.db2.gz MRXVEIWUBGGGOL-UMNHJUIQSA-N 1 3 270.377 -0.800 20 0 CBADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000582600926 355016586 /nfs/dbraw/zinc/01/65/86/355016586.db2.gz JGZTZCAOSHZUEH-MNOVXSKESA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(NC1CNC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000583615674 355021151 /nfs/dbraw/zinc/02/11/51/355021151.db2.gz BQKCQHSVVSIJNV-UHFFFAOYSA-N 1 3 294.399 -0.591 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000583872463 355024058 /nfs/dbraw/zinc/02/40/58/355024058.db2.gz JXYRMNPUQUCUQU-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H]1C[NH2+]CCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000584350864 355029570 /nfs/dbraw/zinc/02/95/70/355029570.db2.gz GEHYDSYKLKVFDC-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591667693 355106877 /nfs/dbraw/zinc/10/68/77/355106877.db2.gz ODPPRWCCFXXTJU-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591667693 355106881 /nfs/dbraw/zinc/10/68/81/355106881.db2.gz ODPPRWCCFXXTJU-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242184 355145466 /nfs/dbraw/zinc/14/54/66/355145466.db2.gz QHJKGTMYTRNAJZ-GHMZBOCLSA-N 1 3 271.361 -0.277 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000592331531 355148045 /nfs/dbraw/zinc/14/80/45/355148045.db2.gz UHKHXKSOBSYKTL-UTLUCORTSA-N 1 3 257.334 -0.347 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000592331530 355148082 /nfs/dbraw/zinc/14/80/82/355148082.db2.gz UHKHXKSOBSYKTL-GUBZILKMSA-N 1 3 257.334 -0.347 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878013 355266704 /nfs/dbraw/zinc/26/67/04/355266704.db2.gz AZYONGFVJUMWSE-BLTAXRJOSA-N 1 3 292.383 -0.854 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594877938 355266711 /nfs/dbraw/zinc/26/67/11/355266711.db2.gz FMMXIXFFOGTEPZ-FIQHERPVSA-N 1 3 280.372 -0.855 20 0 CBADHO CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594879699 355267924 /nfs/dbraw/zinc/26/79/24/355267924.db2.gz JUABFKROHFQQMV-MNOVXSKESA-N 1 3 282.388 -0.478 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594879647 355268266 /nfs/dbraw/zinc/26/82/66/355268266.db2.gz FMMXIXFFOGTEPZ-KKOKHZNYSA-N 1 3 280.372 -0.855 20 0 CBADHO COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CCC2(CNC2)O1 ZINC000595895483 355315876 /nfs/dbraw/zinc/31/58/76/355315876.db2.gz OEGRAJRUYQGJCZ-NEPJUHHUSA-N 1 3 283.372 -0.656 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595266058 355276299 /nfs/dbraw/zinc/27/62/99/355276299.db2.gz YDAHJMNPYMGRFV-BJDJZHNGSA-N 1 3 295.387 -0.920 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595262835 355276669 /nfs/dbraw/zinc/27/66/69/355276669.db2.gz FOUQOPXRQCVEHA-QJPTWQEYSA-N 1 3 295.387 -0.966 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595274628 355278109 /nfs/dbraw/zinc/27/81/09/355278109.db2.gz YLLATUAXQJXFLG-TUAOUCFPSA-N 1 3 297.403 -0.687 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419422242 295901909 /nfs/dbraw/zinc/90/19/09/295901909.db2.gz MJBLARSBJVNACN-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668928 355449950 /nfs/dbraw/zinc/44/99/50/355449950.db2.gz TXZJFJFZKIXMIN-RWMBFGLXSA-N 1 3 294.399 -0.463 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000600710055 355561852 /nfs/dbraw/zinc/56/18/52/355561852.db2.gz NRYUHGOBEBEZFO-NXEZZACHSA-N 1 3 259.350 -0.229 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)N(C)C ZINC000600761390 355564848 /nfs/dbraw/zinc/56/48/48/355564848.db2.gz PKYQCULZLHZJPA-GARJFASQSA-N 1 3 268.361 -0.903 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000602523735 355657493 /nfs/dbraw/zinc/65/74/93/355657493.db2.gz HOMLNXIZMNOHKD-IJLUTSLNSA-N 1 3 280.372 -0.901 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000602523735 355657495 /nfs/dbraw/zinc/65/74/95/355657495.db2.gz HOMLNXIZMNOHKD-IJLUTSLNSA-N 1 3 280.372 -0.901 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528993 355658400 /nfs/dbraw/zinc/65/84/00/355658400.db2.gz DJVUCSGHZNRJRX-VHSXEESVSA-N 1 3 269.345 -0.332 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602551409 355661067 /nfs/dbraw/zinc/66/10/67/355661067.db2.gz CXNVLFAELANBAS-UTLUCORTSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602582871 355662451 /nfs/dbraw/zinc/66/24/51/355662451.db2.gz YIUQOVDZENVNLR-WDEREUQCSA-N 1 3 271.361 -0.003 20 0 CBADHO C[NH+]1CCC2(CCN(CC(=O)NC(N)=O)C2)CC1 ZINC000602877449 355679516 /nfs/dbraw/zinc/67/95/16/355679516.db2.gz NUZAZPREIJXTAO-UHFFFAOYSA-N 1 3 254.334 -0.401 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000606618536 355741009 /nfs/dbraw/zinc/74/10/09/355741009.db2.gz GNHDNGVANMBYFL-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875874 355853986 /nfs/dbraw/zinc/85/39/86/355853986.db2.gz OBJXOKNIJVRWCY-LBPRGKRZSA-N 1 3 258.366 -0.384 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993572 355859824 /nfs/dbraw/zinc/85/98/24/355859824.db2.gz OUNTUYVMCDSQLP-QWRGUYRKSA-N 1 3 268.361 -0.584 20 0 CBADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000615313288 356021052 /nfs/dbraw/zinc/02/10/52/356021052.db2.gz HXGVKIMLBSDVCE-RDBSUJKOSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000617502091 356139674 /nfs/dbraw/zinc/13/96/74/356139674.db2.gz BTOCCSSIVDHASM-NWDGAFQWSA-N 1 3 299.419 -0.602 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000617502091 356139675 /nfs/dbraw/zinc/13/96/75/356139675.db2.gz BTOCCSSIVDHASM-NWDGAFQWSA-N 1 3 299.419 -0.602 20 0 CBADHO CCNC(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506596 356139988 /nfs/dbraw/zinc/13/99/88/356139988.db2.gz SMCPIQWPBKBELQ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CCNC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506596 356139990 /nfs/dbraw/zinc/13/99/90/356139990.db2.gz SMCPIQWPBKBELQ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000617508217 356141141 /nfs/dbraw/zinc/14/11/41/356141141.db2.gz YLOISJIJFUFPLW-AVGNSLFASA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000617508217 356141143 /nfs/dbraw/zinc/14/11/43/356141143.db2.gz YLOISJIJFUFPLW-AVGNSLFASA-N 1 3 298.431 -0.114 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CNC1 ZINC000621698848 356280961 /nfs/dbraw/zinc/28/09/61/356280961.db2.gz GYXFWYKHFWIBOG-GWCFXTLKSA-N 1 3 253.346 -0.295 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003951 356298827 /nfs/dbraw/zinc/29/88/27/356298827.db2.gz IFMNFOWONKIANZ-UMVBOHGHSA-N 1 3 280.416 -0.003 20 0 CBADHO C[C@@H](CNc1nc(N)nc(N)n1)C[NH+]1CCCCC1 ZINC000623877751 356380065 /nfs/dbraw/zinc/38/00/65/356380065.db2.gz LHHLJULBIFGHJQ-VIFPVBQESA-N 1 3 265.365 -0.347 20 0 CBADHO C[N@H+](CCNc1nc(N)nc(N)n1)Cc1ccccc1 ZINC000623884723 356380501 /nfs/dbraw/zinc/38/05/01/356380501.db2.gz HBJDIDYLEHVKPJ-UHFFFAOYSA-N 1 3 273.344 -0.337 20 0 CBADHO C[N@@H+](CCNc1nc(N)nc(N)n1)Cc1ccccc1 ZINC000623884723 356380505 /nfs/dbraw/zinc/38/05/05/356380505.db2.gz HBJDIDYLEHVKPJ-UHFFFAOYSA-N 1 3 273.344 -0.337 20 0 CBADHO CCC[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623885096 356381451 /nfs/dbraw/zinc/38/14/51/356381451.db2.gz QCVXDDJHKYEPKR-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO CCC[N@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623885096 356381453 /nfs/dbraw/zinc/38/14/53/356381453.db2.gz QCVXDDJHKYEPKR-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO CC(C)[C@H]1CN(c2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000624156176 356400436 /nfs/dbraw/zinc/40/04/36/356400436.db2.gz SPRCTUMJEHAAAX-MRVPVSSYSA-N 1 3 251.338 -0.527 20 0 CBADHO CC(C)[C@H]1CN(c2nc(N)nc(N)n2)CC[N@H+]1C ZINC000624156176 356400440 /nfs/dbraw/zinc/40/04/40/356400440.db2.gz SPRCTUMJEHAAAX-MRVPVSSYSA-N 1 3 251.338 -0.527 20 0 CBADHO C[C@H]1C[C@@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623991987 356386830 /nfs/dbraw/zinc/38/68/30/356386830.db2.gz YIDAIAWDPFAGMB-YUMQZZPRSA-N 1 3 251.338 -0.384 20 0 CBADHO C[C@H]1C[C@@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623991987 356386832 /nfs/dbraw/zinc/38/68/32/356386832.db2.gz YIDAIAWDPFAGMB-YUMQZZPRSA-N 1 3 251.338 -0.384 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624006084 356388403 /nfs/dbraw/zinc/38/84/03/356388403.db2.gz LKCCCCRGPKYEIZ-QMMMGPOBSA-N 1 3 251.338 -0.525 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624006084 356388406 /nfs/dbraw/zinc/38/84/06/356388406.db2.gz LKCCCCRGPKYEIZ-QMMMGPOBSA-N 1 3 251.338 -0.525 20 0 CBADHO C[N@H+](CCNc1nc(N)nc(N)n1)Cc1ccc(F)cc1 ZINC000624022514 356388945 /nfs/dbraw/zinc/38/89/45/356388945.db2.gz RQRFWITXOWYNEA-UHFFFAOYSA-N 1 3 291.334 -0.198 20 0 CBADHO C[N@@H+](CCNc1nc(N)nc(N)n1)Cc1ccc(F)cc1 ZINC000624022514 356388947 /nfs/dbraw/zinc/38/89/47/356388947.db2.gz RQRFWITXOWYNEA-UHFFFAOYSA-N 1 3 291.334 -0.198 20 0 CBADHO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624011738 356389130 /nfs/dbraw/zinc/38/91/30/356389130.db2.gz HPYKJQVPLOCWPQ-SNVBAGLBSA-N 1 3 277.376 -0.135 20 0 CBADHO C[N@@H+](CC1CC1)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624011738 356389132 /nfs/dbraw/zinc/38/91/32/356389132.db2.gz HPYKJQVPLOCWPQ-SNVBAGLBSA-N 1 3 277.376 -0.135 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624055918 356393638 /nfs/dbraw/zinc/39/36/38/356393638.db2.gz SFIDQJTWELPVEP-JTQLQIEISA-N 1 3 279.392 -0.101 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624055918 356393643 /nfs/dbraw/zinc/39/36/43/356393643.db2.gz SFIDQJTWELPVEP-JTQLQIEISA-N 1 3 279.392 -0.101 20 0 CBADHO Nc1nc(NC[C@@H]2CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000624411195 356420943 /nfs/dbraw/zinc/42/09/43/356420943.db2.gz YTEDWDDVHLOAOL-NSHDSACASA-N 1 3 285.355 -0.195 20 0 CBADHO CC(C)[NH2+]C1(CO)CCN(c2nc(N)nc(N)n2)CC1 ZINC000624249283 356407501 /nfs/dbraw/zinc/40/75/01/356407501.db2.gz AKCIXXSECRPPRV-UHFFFAOYSA-N 1 3 281.364 -0.974 20 0 CBADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626930878 356557250 /nfs/dbraw/zinc/55/72/50/356557250.db2.gz KKVZSIOJVHMFHG-CYBMUJFWSA-N 1 3 283.420 -0.327 20 0 CBADHO CN(CCOCC[NH3+])C(=O)N[C@@H]1CCCN(C)C1 ZINC000626946425 356558701 /nfs/dbraw/zinc/55/87/01/356558701.db2.gz YJRBIICCUQTSAL-LLVKDONJSA-N 1 3 258.366 -0.303 20 0 CBADHO C[NH2+]CCOCCNC(=O)NC[C@H]1CCCN1C ZINC000626950450 356559050 /nfs/dbraw/zinc/55/90/50/356559050.db2.gz RIRBZWHIOSEDFM-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN(C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626965394 356560726 /nfs/dbraw/zinc/56/07/26/356560726.db2.gz CLNZXZLDYUSQHZ-UHFFFAOYSA-N 1 3 288.392 -0.628 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)N(C)C ZINC000627053037 356570411 /nfs/dbraw/zinc/57/04/11/356570411.db2.gz WESROPSQUOEDDS-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO CCN(CC[NH3+])C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000626986775 356563465 /nfs/dbraw/zinc/56/34/65/356563465.db2.gz MSRMXNCMQXAHRF-CYBMUJFWSA-N 1 3 285.436 -0.140 20 0 CBADHO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000626986167 356563479 /nfs/dbraw/zinc/56/34/79/356563479.db2.gz BGLKDEYKJKMJDT-QWHCGFSZSA-N 1 3 283.420 -0.469 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627130140 356587867 /nfs/dbraw/zinc/58/78/67/356587867.db2.gz JPPYCSLREKCGSQ-LBPRGKRZSA-N 1 3 284.404 -0.116 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131869 356587972 /nfs/dbraw/zinc/58/79/72/356587972.db2.gz XEWCPTSRVKGDOA-WCQYABFASA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@H]1NCCN(C(=O)NCC2([NH3+])CCOCC2)[C@H]1C ZINC000627147503 356588936 /nfs/dbraw/zinc/58/89/36/356588936.db2.gz JUBCMLYNQOQPHQ-MNOVXSKESA-N 1 3 270.377 -0.114 20 0 CBADHO [NH3+]C1(CNC(=O)NCCNc2ccncc2)CCOCC1 ZINC000627154401 356589651 /nfs/dbraw/zinc/58/96/51/356589651.db2.gz WLTJUIANHANCRD-UHFFFAOYSA-N 1 3 293.371 -0.278 20 0 CBADHO COCCNCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082136 356577364 /nfs/dbraw/zinc/57/73/64/356577364.db2.gz COFPWILPWDNWKH-MNOVXSKESA-N 1 3 258.366 -0.338 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1 ZINC000627134722 356587465 /nfs/dbraw/zinc/58/74/65/356587465.db2.gz AYULDCRHBKZQEE-UTUOFQBUSA-N 1 3 270.377 -0.162 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)NCCOCCC[NH3+])C[C@@H]21 ZINC000627219384 356608535 /nfs/dbraw/zinc/60/85/35/356608535.db2.gz CNQBJUCJDCVGLD-NEPJUHHUSA-N 1 3 270.377 -0.303 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCO1 ZINC000627225704 356609593 /nfs/dbraw/zinc/60/95/93/356609593.db2.gz AYULDCRHBKZQEE-GRYCIOLGSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCCN1CCO ZINC000627244935 356611432 /nfs/dbraw/zinc/61/14/32/356611432.db2.gz AKHLYZZTZZOSMT-YNEHKIRRSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000627245516 356611464 /nfs/dbraw/zinc/61/14/64/356611464.db2.gz OUZBZOHWUNRYLT-NWDGAFQWSA-N 1 3 299.419 -0.602 20 0 CBADHO C[NH2+]CCOCCNC(=O)NCCNc1ccncc1 ZINC000627176942 356595268 /nfs/dbraw/zinc/59/52/68/356595268.db2.gz BPICQHVKWYDSSM-UHFFFAOYSA-N 1 3 281.360 -0.549 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000627352610 356630994 /nfs/dbraw/zinc/63/09/94/356630994.db2.gz BYIDHNWCKCBJKL-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627365203 356632705 /nfs/dbraw/zinc/63/27/05/356632705.db2.gz IQKKNYZHMQMKBQ-GRYCIOLGSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C1CC1 ZINC000627372907 356634850 /nfs/dbraw/zinc/63/48/50/356634850.db2.gz ZUZXZMBYYKIXIR-UTUOFQBUSA-N 1 3 296.415 -0.158 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627372143 356634985 /nfs/dbraw/zinc/63/49/85/356634985.db2.gz CZZPURQYMBXDSM-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000627291587 356621074 /nfs/dbraw/zinc/62/10/74/356621074.db2.gz YCGXDJQTTCFBHU-PWSUYJOCSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000627372479 356635324 /nfs/dbraw/zinc/63/53/24/356635324.db2.gz NCQWWBQFKPFYLL-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000627304627 356622550 /nfs/dbraw/zinc/62/25/50/356622550.db2.gz AKEPSIGKPVDQJJ-QNWHQSFQSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311938 356623841 /nfs/dbraw/zinc/62/38/41/356623841.db2.gz LGUSZYKCAFWJGZ-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)C[NH2+]1 ZINC000627319016 356625552 /nfs/dbraw/zinc/62/55/52/356625552.db2.gz HRWAKTDDCKVMIN-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(CC)CC[NH3+] ZINC000627320730 356625649 /nfs/dbraw/zinc/62/56/49/356625649.db2.gz NAIZXAZCJDQNHP-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN(C)C2CC2)C[NH2+]1 ZINC000627319017 356625663 /nfs/dbraw/zinc/62/56/63/356625663.db2.gz HRWAKTDDCKVMIN-MNOVXSKESA-N 1 3 282.388 -0.547 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000627341735 356628884 /nfs/dbraw/zinc/62/88/84/356628884.db2.gz OBSSQAIAKAAIPI-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627380657 356636567 /nfs/dbraw/zinc/63/65/67/356636567.db2.gz VQGNMSNYMLRTCL-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000627504686 356660464 /nfs/dbraw/zinc/66/04/64/356660464.db2.gz BERGDUCHXMNPJL-VXGBXAGGSA-N 1 3 280.372 -0.839 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506193 356660872 /nfs/dbraw/zinc/66/08/72/356660872.db2.gz DBIKRYWUOUIEMZ-UPJWGTAASA-N 1 3 294.399 -0.450 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627506016 356660913 /nfs/dbraw/zinc/66/09/13/356660913.db2.gz UETNZJZYXOJFMD-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507293 356661777 /nfs/dbraw/zinc/66/17/77/356661777.db2.gz LDSLLELSIJQIGI-MNOVXSKESA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C[NH2+]1 ZINC000627476710 356653247 /nfs/dbraw/zinc/65/32/47/356653247.db2.gz JYVNWWKDGXMRCF-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478477 356653707 /nfs/dbraw/zinc/65/37/07/356653707.db2.gz NKKLEVUOPMKCTN-JHJVBQTASA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502054 356659155 /nfs/dbraw/zinc/65/91/55/356659155.db2.gz JEAKJRMAXMVURN-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)c1cccnc1 ZINC000629555749 356779802 /nfs/dbraw/zinc/77/98/02/356779802.db2.gz OTHQCBRCUQFJNC-AWEZNQCLSA-N 1 3 292.383 -0.142 20 0 CBADHO C[C@H]1COCCN1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629560852 356779843 /nfs/dbraw/zinc/77/98/43/356779843.db2.gz YHUCPEDSDUAFEK-KBPBESRZSA-N 1 3 271.405 -0.247 20 0 CBADHO CCc1nncn1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629565433 356780779 /nfs/dbraw/zinc/78/07/79/356780779.db2.gz PHPAQYYPOVODLS-GFCCVEGCSA-N 1 3 267.377 -0.113 20 0 CBADHO CN(C)c1ncc(CNCCOCCC[NH3+])cn1 ZINC000629399629 356771378 /nfs/dbraw/zinc/77/13/78/356771378.db2.gz IYWCZXUSSBRGDQ-UHFFFAOYSA-N 1 3 253.350 -0.002 20 0 CBADHO CC(C)[C@](C)(CN)[NH2+]CCS(=O)(=O)N(C)C ZINC000629515269 356775546 /nfs/dbraw/zinc/77/55/46/356775546.db2.gz RKIBNCRQGIQKRV-JTQLQIEISA-N 1 3 251.396 -0.159 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000629512187 356775997 /nfs/dbraw/zinc/77/59/97/356775997.db2.gz BKLNIQPWLYAJDQ-WOPDTQHZSA-N 1 3 254.378 -0.204 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCC[C@H]1N ZINC000629512187 356775999 /nfs/dbraw/zinc/77/59/99/356775999.db2.gz BKLNIQPWLYAJDQ-WOPDTQHZSA-N 1 3 254.378 -0.204 20 0 CBADHO CNS(=O)(=O)CCCN(C)CCOCC[NH2+]C ZINC000629571441 356781077 /nfs/dbraw/zinc/78/10/77/356781077.db2.gz MAZBAJDKVOBMGH-UHFFFAOYSA-N 1 3 267.395 -0.907 20 0 CBADHO C[C@]1(CNCc2nc(C[NH3+])cc(=O)[n-]2)CC[NH2+]C1 ZINC000629652263 356788722 /nfs/dbraw/zinc/78/87/22/356788722.db2.gz FHNBGPWYWFNFMJ-LBPRGKRZSA-N 1 3 251.334 -0.270 20 0 CBADHO COC[C@]1(C)CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673796 356788817 /nfs/dbraw/zinc/78/88/17/356788817.db2.gz IDOCZVHENYBSCU-HIFRSBDPSA-N 1 3 299.415 -0.079 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000629794633 356793638 /nfs/dbraw/zinc/79/36/38/356793638.db2.gz XCPUJGYKXYVQPO-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000629800868 356794938 /nfs/dbraw/zinc/79/49/38/356794938.db2.gz CROHRXCGKLEKOS-GFCCVEGCSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000629800868 356794941 /nfs/dbraw/zinc/79/49/41/356794941.db2.gz CROHRXCGKLEKOS-GFCCVEGCSA-N 1 3 284.404 -0.406 20 0 CBADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC)CCN)C1 ZINC000629800658 356795059 /nfs/dbraw/zinc/79/50/59/356795059.db2.gz XZJGGCBCWXFZSD-CYBMUJFWSA-N 1 3 298.431 -0.016 20 0 CBADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC)CCN)C1 ZINC000629800658 356795063 /nfs/dbraw/zinc/79/50/63/356795063.db2.gz XZJGGCBCWXFZSD-CYBMUJFWSA-N 1 3 298.431 -0.016 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000629798848 356795087 /nfs/dbraw/zinc/79/50/87/356795087.db2.gz LSQHJNDNRLSSBN-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000629798848 356795091 /nfs/dbraw/zinc/79/50/91/356795091.db2.gz LSQHJNDNRLSSBN-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000629803200 356796373 /nfs/dbraw/zinc/79/63/73/356796373.db2.gz LNKGXYXDUZBHGH-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH2+]C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCC1 ZINC000630002092 356815577 /nfs/dbraw/zinc/81/55/77/356815577.db2.gz OSAXQHOTYCZXCP-GFCCVEGCSA-N 1 3 266.389 -0.365 20 0 CBADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582275 356782318 /nfs/dbraw/zinc/78/23/18/356782318.db2.gz QVUOQMIDNCDDGI-AXFHLTTASA-N 1 3 253.346 -0.297 20 0 CBADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582275 356782320 /nfs/dbraw/zinc/78/23/20/356782320.db2.gz QVUOQMIDNCDDGI-AXFHLTTASA-N 1 3 253.346 -0.297 20 0 CBADHO CCS(=O)(=O)NCCCN(C)CCOCC[NH3+] ZINC000629581369 356782352 /nfs/dbraw/zinc/78/23/52/356782352.db2.gz YFCQOBJJSVZKFR-UHFFFAOYSA-N 1 3 267.395 -0.777 20 0 CBADHO C[N@H+](C[C@@H](O)CNCCN1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785847 /nfs/dbraw/zinc/78/58/47/356785847.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 1 3 257.378 -0.902 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCCN1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785849 /nfs/dbraw/zinc/78/58/49/356785849.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 1 3 257.378 -0.902 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785852 /nfs/dbraw/zinc/78/58/52/356785852.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 1 3 257.378 -0.902 20 0 CBADHO O[C@@H](C[NH2+]CCN1CC[C@@H](O)C1)CN1CCCC1 ZINC000629606766 356786383 /nfs/dbraw/zinc/78/63/83/356786383.db2.gz MHMUBMLGJGHFEO-OLZOCXBDSA-N 1 3 257.378 -0.901 20 0 CBADHO O=S1(=O)CCC[C@H](NCCN2CC[NH2+]CC2)C1 ZINC000630343681 356835832 /nfs/dbraw/zinc/83/58/32/356835832.db2.gz JBFRGTJRPNFJFJ-NSHDSACASA-N 1 3 261.391 -0.942 20 0 CBADHO COC[C@@H]([NH3+])Cc1cn(CCN2CCCC2)nn1 ZINC000630618062 356856563 /nfs/dbraw/zinc/85/65/63/356856563.db2.gz LMPJPYQKUYUJQT-NSHDSACASA-N 1 3 253.350 -0.110 20 0 CBADHO [NH3+][C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631902663 356918631 /nfs/dbraw/zinc/91/86/31/356918631.db2.gz NUYDCWZJGXAFRP-NSHDSACASA-N 1 3 261.391 -0.165 20 0 CBADHO C[NH2+]C1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000631904354 356919522 /nfs/dbraw/zinc/91/95/22/356919522.db2.gz LQGXRYHKPWUPTR-UHFFFAOYSA-N 1 3 263.407 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000631903606 356919882 /nfs/dbraw/zinc/91/98/82/356919882.db2.gz NWRGHPPXLPPNQI-UHFFFAOYSA-N 1 3 292.449 -0.895 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631931552 356924869 /nfs/dbraw/zinc/92/48/69/356924869.db2.gz KZWDVPCDVDCIRC-VXGBXAGGSA-N 1 3 275.418 -0.048 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631932543 356926309 /nfs/dbraw/zinc/92/63/09/356926309.db2.gz WFAUHTPWQUXWIT-GHMZBOCLSA-N 1 3 263.407 -0.063 20 0 CBADHO CC[NH2+][C@H](C)CNS(=O)(=O)CCCN(C)C ZINC000631934308 356927051 /nfs/dbraw/zinc/92/70/51/356927051.db2.gz WEUSZMOCORQOMQ-SNVBAGLBSA-N 1 3 251.396 -0.145 20 0 CBADHO C[C@@H]1CCNC[C@@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935736 356927929 /nfs/dbraw/zinc/92/79/29/356927929.db2.gz ZEKZSMLYYZAVLE-PWSUYJOCSA-N 1 3 290.433 -0.497 20 0 CBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000631939286 356928778 /nfs/dbraw/zinc/92/87/78/356928778.db2.gz WWGGHUCBQYPMSO-UWVGGRQHSA-N 1 3 294.396 -0.795 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631938958 356928783 /nfs/dbraw/zinc/92/87/83/356928783.db2.gz PSYDGNQMSBOMLJ-NWDGAFQWSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000631942161 356929454 /nfs/dbraw/zinc/92/94/54/356929454.db2.gz QPZGMXYQYLXYFA-UHFFFAOYSA-N 1 3 263.407 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000631941901 356929805 /nfs/dbraw/zinc/92/98/05/356929805.db2.gz KHYYFWQJBWWUFE-UHFFFAOYSA-N 1 3 263.407 0.000 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)CCCN(C)C ZINC000631946972 356931446 /nfs/dbraw/zinc/93/14/46/356931446.db2.gz PRYLMOGLUIPSMZ-NXEZZACHSA-N 1 3 251.396 -0.017 20 0 CBADHO C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000631952271 356933019 /nfs/dbraw/zinc/93/30/19/356933019.db2.gz BZYKGGGUHZLZSI-NXEZZACHSA-N 1 3 267.370 -0.361 20 0 CBADHO C[NH2+]CCOCCNS(=O)(=O)CCCN1CCCC1 ZINC000631954529 356934247 /nfs/dbraw/zinc/93/42/47/356934247.db2.gz OYKLZRLDKFEHSQ-UHFFFAOYSA-N 1 3 293.433 -0.372 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981519 356938835 /nfs/dbraw/zinc/93/88/35/356938835.db2.gz WZTPZMHFZFFRIZ-NEPJUHHUSA-N 1 3 275.418 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632383222 356981300 /nfs/dbraw/zinc/98/13/00/356981300.db2.gz ZZEMMYJBKQRNPP-UHFFFAOYSA-N 1 3 263.407 -0.239 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000632472637 356993031 /nfs/dbraw/zinc/99/30/31/356993031.db2.gz AVAGAZWMKSNMSK-OUCADQQQSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000632472637 356993034 /nfs/dbraw/zinc/99/30/34/356993034.db2.gz AVAGAZWMKSNMSK-OUCADQQQSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000632472638 356993231 /nfs/dbraw/zinc/99/32/31/356993231.db2.gz AVAGAZWMKSNMSK-SCRDCRAPSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000632472638 356993234 /nfs/dbraw/zinc/99/32/34/356993234.db2.gz AVAGAZWMKSNMSK-SCRDCRAPSA-N 1 3 269.389 -0.101 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633072135 357039463 /nfs/dbraw/zinc/03/94/63/357039463.db2.gz MJDXHAOBIDLTAK-GFCCVEGCSA-N 1 3 283.376 -0.903 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1C ZINC000633095338 357044667 /nfs/dbraw/zinc/04/46/67/357044667.db2.gz UVGCQVCAZJKCBK-CYDGBPFRSA-N 1 3 294.399 -0.500 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000633116123 357049477 /nfs/dbraw/zinc/04/94/77/357049477.db2.gz PFSBXIBAOJFHTC-UTUOFQBUSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000633117206 357050068 /nfs/dbraw/zinc/05/00/68/357050068.db2.gz AWHNWZOSWYDVAO-MNOVXSKESA-N 1 3 282.388 -0.513 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](CN)C1 ZINC000634272320 357113631 /nfs/dbraw/zinc/11/36/31/357113631.db2.gz ZWBFMWPLPQGJHQ-RYUDHWBXSA-N 1 3 269.393 -0.587 20 0 CBADHO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CNCCOC1 ZINC000634769171 357134004 /nfs/dbraw/zinc/13/40/04/357134004.db2.gz ORQNPPGTABMZSH-LOWVWBTDSA-N 1 3 253.346 -0.519 20 0 CBADHO C[NH2+]C[C@H](O)CNC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719886 357129040 /nfs/dbraw/zinc/12/90/40/357129040.db2.gz AXNGGKZWSARGQH-HOTGVXAUSA-N 1 3 293.411 -0.207 20 0 CBADHO CN1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635801221 357210130 /nfs/dbraw/zinc/21/01/30/357210130.db2.gz HHLNZCGMWCJLMR-YPMHNXCESA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635801221 357210131 /nfs/dbraw/zinc/21/01/31/357210131.db2.gz HHLNZCGMWCJLMR-YPMHNXCESA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000635928429 357234159 /nfs/dbraw/zinc/23/41/59/357234159.db2.gz GHXHJHYGGWPXIK-HZSPNIEDSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000635928429 357234162 /nfs/dbraw/zinc/23/41/62/357234162.db2.gz GHXHJHYGGWPXIK-HZSPNIEDSA-N 1 3 281.400 -0.004 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000635928435 357234982 /nfs/dbraw/zinc/23/49/82/357234982.db2.gz GKHVCKKXIWMIMT-CHWSQXEVSA-N 1 3 281.400 -0.004 20 0 CBADHO C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N(C)C ZINC000635558527 357176293 /nfs/dbraw/zinc/17/62/93/357176293.db2.gz AIIWVSKPJUUJHC-QWHCGFSZSA-N 1 3 270.421 -0.064 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000636645217 357295362 /nfs/dbraw/zinc/29/53/62/357295362.db2.gz NSIRXJVMMQXLSI-RYUDHWBXSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000636645217 357295364 /nfs/dbraw/zinc/29/53/64/357295364.db2.gz NSIRXJVMMQXLSI-RYUDHWBXSA-N 1 3 270.377 -0.554 20 0 CBADHO CN(C)CCN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1=O ZINC000636120159 357264644 /nfs/dbraw/zinc/26/46/44/357264644.db2.gz NJDONTLHFDUGKP-CYBMUJFWSA-N 1 3 296.415 -0.439 20 0 CBADHO CN(C)CCN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000636120159 357264648 /nfs/dbraw/zinc/26/46/48/357264648.db2.gz NJDONTLHFDUGKP-CYBMUJFWSA-N 1 3 296.415 -0.439 20 0 CBADHO C[C@H](NC(=O)CN1CCNCC1)[C@H]1CCC[NH2+]C1 ZINC000637820960 357371024 /nfs/dbraw/zinc/37/10/24/357371024.db2.gz RTXUVXVITFUOBS-RYUDHWBXSA-N 1 3 254.378 -0.604 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822387 357371333 /nfs/dbraw/zinc/37/13/33/357371333.db2.gz KGBKZQLKHHTPOY-CYBMUJFWSA-N 1 3 287.404 -0.222 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@H]2CCC[NH2+]2)cn1 ZINC000637827033 357371364 /nfs/dbraw/zinc/37/13/64/357371364.db2.gz MGEMKTKSHBMNON-GFCCVEGCSA-N 1 3 265.361 -0.074 20 0 CBADHO C[C@@H]1CCCN(C(=O)CN2CCNCC2)[C@@H]1C[NH3+] ZINC000637848549 357376196 /nfs/dbraw/zinc/37/61/96/357376196.db2.gz UBRTZIJTXCFRAV-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]1CCCN(C(=O)CN2CCNCC2)[C@H]1C[NH3+] ZINC000637848547 357376262 /nfs/dbraw/zinc/37/62/62/357376262.db2.gz UBRTZIJTXCFRAV-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637847065 357376477 /nfs/dbraw/zinc/37/64/77/357376477.db2.gz FZXGOVSJXBFRNN-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C(CN1CCNCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637857731 357376999 /nfs/dbraw/zinc/37/69/99/357376999.db2.gz ZJLTWSLFIPMING-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637800056 357365874 /nfs/dbraw/zinc/36/58/74/357365874.db2.gz WVQLLHPZMRIWAO-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO COC[C@@]1(C(=O)N2CCC[NH2+]CC2)CCCCN1 ZINC000637804189 357367031 /nfs/dbraw/zinc/36/70/31/357367031.db2.gz VLDXUWASNCFBBT-CYBMUJFWSA-N 1 3 255.362 -0.033 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000637809226 357368054 /nfs/dbraw/zinc/36/80/54/357368054.db2.gz NJZFPHWJKDBXNH-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(CN1CCNCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238837 357440995 /nfs/dbraw/zinc/44/09/95/357440995.db2.gz CRHJIYYYGJMQLA-AWEZNQCLSA-N 1 3 280.416 -0.260 20 0 CBADHO CCN[C@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638236956 357441650 /nfs/dbraw/zinc/44/16/50/357441650.db2.gz MMVXMERAPIZRGL-VXGBXAGGSA-N 1 3 254.378 -0.510 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCN2CCCC2)C1 ZINC000638055190 357405923 /nfs/dbraw/zinc/40/59/23/357405923.db2.gz GKCPIHSBAVAIAE-AAEUAGOBSA-N 1 3 255.362 -0.035 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCN2CCCC2)C1 ZINC000638055192 357406739 /nfs/dbraw/zinc/40/67/39/357406739.db2.gz GKCPIHSBAVAIAE-WCQYABFASA-N 1 3 255.362 -0.035 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCC(O)CC2)C1 ZINC000638069929 357410129 /nfs/dbraw/zinc/41/01/29/357410129.db2.gz NQAPPOGIBBNRBX-HIFRSBDPSA-N 1 3 299.415 -0.284 20 0 CBADHO CN(C)[C@]1(CNC(=O)CN2CC[NH2+]CC2)CCSC1 ZINC000638070293 357410131 /nfs/dbraw/zinc/41/01/31/357410131.db2.gz XWAYDCVRHMJFQW-ZDUSSCGKSA-N 1 3 286.445 -0.555 20 0 CBADHO O=C(CN1CCNCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000638248212 357444247 /nfs/dbraw/zinc/44/42/47/357444247.db2.gz YGOVZPOSUBALBY-UHFFFAOYSA-N 1 3 266.389 -0.506 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098194 357416013 /nfs/dbraw/zinc/41/60/13/357416013.db2.gz FBXYNOOWPYFJRG-SDDRHHMPSA-N 1 3 271.361 -0.670 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638102870 357417949 /nfs/dbraw/zinc/41/79/49/357417949.db2.gz XGCOMVDZRKXEMH-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102065 357418649 /nfs/dbraw/zinc/41/86/49/357418649.db2.gz XJVZOWRBISDELL-DZGCQCFKSA-N 1 3 299.415 -0.031 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CCN1C ZINC000638124314 357422254 /nfs/dbraw/zinc/42/22/54/357422254.db2.gz SKXFZUJCGTWOOW-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638146587 357426522 /nfs/dbraw/zinc/42/65/22/357426522.db2.gz UUDABNVGWZPKHC-KBPBESRZSA-N 1 3 280.416 -0.118 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638146593 357426563 /nfs/dbraw/zinc/42/65/63/357426563.db2.gz UUDABNVGWZPKHC-ZIAGYGMSSA-N 1 3 280.416 -0.118 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638154164 357426884 /nfs/dbraw/zinc/42/68/84/357426884.db2.gz RRWPKFFPQHSKAV-AWEZNQCLSA-N 1 3 276.384 -0.219 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000638249427 357443785 /nfs/dbraw/zinc/44/37/85/357443785.db2.gz YCQZQJGOAUSKLR-RYUDHWBXSA-N 1 3 283.351 -0.126 20 0 CBADHO COC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCCN1 ZINC000638249346 357443841 /nfs/dbraw/zinc/44/38/41/357443841.db2.gz XDUGQCADVARTSY-GMXVVIOVSA-N 1 3 273.352 -0.039 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC[N@@H+]1C ZINC000637864028 357378796 /nfs/dbraw/zinc/37/87/96/357378796.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC[N@H+]1C ZINC000637864028 357378798 /nfs/dbraw/zinc/37/87/98/357378798.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](CN)C1 ZINC000637866348 357379205 /nfs/dbraw/zinc/37/92/05/357379205.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 1 3 254.378 -0.571 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](CN)C1 ZINC000637866348 357379208 /nfs/dbraw/zinc/37/92/08/357379208.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 1 3 254.378 -0.571 20 0 CBADHO CN(C)CCn1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cn1 ZINC000637864162 357379589 /nfs/dbraw/zinc/37/95/89/357379589.db2.gz NXRWKANHCTUFFC-CYBMUJFWSA-N 1 3 294.403 -0.840 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCCNC(=O)C2)C1 ZINC000638571388 357495517 /nfs/dbraw/zinc/49/55/17/357495517.db2.gz PQRSZMWJFKLSGD-STQMWFEESA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2CCCNC(=O)C2)C1 ZINC000638571388 357495519 /nfs/dbraw/zinc/49/55/19/357495519.db2.gz PQRSZMWJFKLSGD-STQMWFEESA-N 1 3 296.415 -0.168 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579083 357497699 /nfs/dbraw/zinc/49/76/99/357497699.db2.gz LZCMAWQLHGYSPL-FZMZJTMJSA-N 1 3 287.404 -0.129 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)CN1CCNCC1)C(F)(F)F ZINC000638267017 357445791 /nfs/dbraw/zinc/44/57/91/357445791.db2.gz LUGLXLDLGFKTLD-MRVPVSSYSA-N 1 3 268.283 -0.713 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCCN1 ZINC000638263758 357445922 /nfs/dbraw/zinc/44/59/22/357445922.db2.gz CMWIZGRVWKWRCT-JSGCOSHPSA-N 1 3 285.388 -0.360 20 0 CBADHO O=C(CN1CCNCC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000638267751 357446091 /nfs/dbraw/zinc/44/60/91/357446091.db2.gz UOHRAJAXYXZVCS-LBPRGKRZSA-N 1 3 254.378 -0.460 20 0 CBADHO O=C(CN1CCNCC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638326894 357458840 /nfs/dbraw/zinc/45/88/40/357458840.db2.gz ADTKBZCMZZVRCU-ZIAGYGMSSA-N 1 3 280.416 -0.118 20 0 CBADHO O=C(NC[C@H]1CNCCO1)C12CCC[NH+](CCC1)C2 ZINC000638337373 357459536 /nfs/dbraw/zinc/45/95/36/357459536.db2.gz FIHITHUMYZWFSA-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370518 357463240 /nfs/dbraw/zinc/46/32/40/357463240.db2.gz ZJMXYRVFDBZNLG-GFCCVEGCSA-N 1 3 266.389 -0.318 20 0 CBADHO [NH3+]CCC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638390978 357466128 /nfs/dbraw/zinc/46/61/28/357466128.db2.gz NISFXBSOSFNQHR-UHFFFAOYSA-N 1 3 254.378 -0.521 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417462 357471995 /nfs/dbraw/zinc/47/19/95/357471995.db2.gz HTNGICHBFDCRQH-UHFFFAOYSA-N 1 3 299.415 -0.079 20 0 CBADHO CC[NH2+][C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000638414376 357472236 /nfs/dbraw/zinc/47/22/36/357472236.db2.gz OVITXHPUOWDUSK-LLVKDONJSA-N 1 3 272.393 -0.537 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638432590 357475194 /nfs/dbraw/zinc/47/51/94/357475194.db2.gz YSLMVDRMZBCNKX-BFLSOPEQSA-N 1 3 259.325 -0.349 20 0 CBADHO CN(C)CCn1cc(C(=O)NCC23CC(C2)C[NH2+]3)cn1 ZINC000638427830 357475392 /nfs/dbraw/zinc/47/53/92/357475392.db2.gz NYIWZEKFFSWZTN-UHFFFAOYSA-N 1 3 277.372 -0.074 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497704 357487252 /nfs/dbraw/zinc/48/72/52/357487252.db2.gz HJGIWWMJQILQSE-MNOVXSKESA-N 1 3 253.346 -0.234 20 0 CBADHO CC(C(=O)N[C@@H]1CC[NH2+]C12CCC2)S(C)(=O)=O ZINC000638503398 357491164 /nfs/dbraw/zinc/49/11/64/357491164.db2.gz ICUZOPSMSVIPOP-RKDXNWHRSA-N 1 3 260.359 -0.180 20 0 CBADHO NC(C(=O)NCC1([NH3+])CCOCC1)C(F)(F)F ZINC000638540200 357493658 /nfs/dbraw/zinc/49/36/58/357493658.db2.gz JEWGSKDHWHVMEH-LURJTMIESA-N 1 3 255.240 -0.500 20 0 CBADHO [NH3+]CCCOCCNC(=O)CNC[C@H]1CCCO1 ZINC000638656631 357516716 /nfs/dbraw/zinc/51/67/16/357516716.db2.gz IUQMSNBYFLWCPO-LLVKDONJSA-N 1 3 259.350 -0.763 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000638674538 357518683 /nfs/dbraw/zinc/51/86/83/357518683.db2.gz MGOJIDIOKIGVKJ-SLEUVZQESA-N 1 3 299.415 -0.047 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000638674542 357519398 /nfs/dbraw/zinc/51/93/98/357519398.db2.gz MGOJIDIOKIGVKJ-YWPYICTPSA-N 1 3 299.415 -0.047 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@@H]1CNCCC1(F)F ZINC000638675763 357519785 /nfs/dbraw/zinc/51/97/85/357519785.db2.gz ZXAZIMFYTMVZGY-VIFPVBQESA-N 1 3 265.304 -0.335 20 0 CBADHO CN(CCOCC[NH3+])C(=O)CNC[C@@H]1CCCO1 ZINC000638680505 357520258 /nfs/dbraw/zinc/52/02/58/357520258.db2.gz UMKBNUXRDJHHFA-NSHDSACASA-N 1 3 259.350 -0.811 20 0 CBADHO CN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638729147 357526382 /nfs/dbraw/zinc/52/63/82/357526382.db2.gz YPBFQYQNAMEOLA-GVXVVHGQSA-N 1 3 253.346 -0.567 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cnn(CCN(C)C)c1 ZINC000638766007 357527340 /nfs/dbraw/zinc/52/73/40/357527340.db2.gz NMBOAJUFWXGICT-CMPLNLGQSA-N 1 3 265.361 -0.075 20 0 CBADHO C[C@@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780559 357528269 /nfs/dbraw/zinc/52/82/69/357528269.db2.gz SJRHITMSLNROMZ-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802325 357531836 /nfs/dbraw/zinc/53/18/36/357531836.db2.gz TUZYRNGAJNIIKY-DEKYYXRVSA-N 1 3 267.373 -0.003 20 0 CBADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CN2CCC1CC2 ZINC000638853787 357538566 /nfs/dbraw/zinc/53/85/66/357538566.db2.gz JSYINICGKDFAGK-STQMWFEESA-N 1 3 268.405 -0.182 20 0 CBADHO C[NH+]1CCC2(CCN(CC(=O)N3CCNC3=O)C2)CC1 ZINC000639760405 357595260 /nfs/dbraw/zinc/59/52/60/357595260.db2.gz XAUNXPFGMJOFSQ-UHFFFAOYSA-N 1 3 280.372 -0.044 20 0 CBADHO CN(C)CCc1cn(C[C@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641222733 357683136 /nfs/dbraw/zinc/68/31/36/357683136.db2.gz CXMLQHNFBCLKOM-CYBMUJFWSA-N 1 3 267.377 -0.163 20 0 CBADHO CN(C)CCc1cn(C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641222733 357683138 /nfs/dbraw/zinc/68/31/38/357683138.db2.gz CXMLQHNFBCLKOM-CYBMUJFWSA-N 1 3 267.377 -0.163 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000574042978 334987306 /nfs/dbraw/zinc/98/73/06/334987306.db2.gz WBOHHSZOVVIXIB-SCVCMEIPSA-N 1 3 270.377 -0.671 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000642439315 357754379 /nfs/dbraw/zinc/75/43/79/357754379.db2.gz BHDSELJRCGFZSJ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642403969 357754490 /nfs/dbraw/zinc/75/44/90/357754490.db2.gz NXWRAQGXFANTLK-WCQYABFASA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642440044 357755170 /nfs/dbraw/zinc/75/51/70/357755170.db2.gz WGQAIRUNCBSQAI-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000642439452 357755690 /nfs/dbraw/zinc/75/56/90/357755690.db2.gz HOCCTWKMOSLWRV-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000642732140 357760305 /nfs/dbraw/zinc/76/03/05/357760305.db2.gz FCCHEUXBPOHERP-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000642731743 357760513 /nfs/dbraw/zinc/76/05/13/357760513.db2.gz ZAHJMOWGJRDGJX-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785713 357761958 /nfs/dbraw/zinc/76/19/58/357761958.db2.gz DUZUKLQXRWKTSB-STQMWFEESA-N 1 3 296.415 -0.314 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785648 357762071 /nfs/dbraw/zinc/76/20/71/357762071.db2.gz AXYPCGJEWJNUGQ-CHWSQXEVSA-N 1 3 294.399 -0.560 20 0 CBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642785799 357762511 /nfs/dbraw/zinc/76/25/11/357762511.db2.gz LLHHEJDQVQMKNJ-QWHCGFSZSA-N 1 3 294.399 -0.463 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642910829 357768177 /nfs/dbraw/zinc/76/81/77/357768177.db2.gz PBZXQMPEJDLSAL-UTUOFQBUSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642909930 357768235 /nfs/dbraw/zinc/76/82/35/357768235.db2.gz XPUIQYSMCODDLE-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC2 ZINC000642911240 357768291 /nfs/dbraw/zinc/76/82/91/357768291.db2.gz ZLSVLJJCEXTXOO-UPJWGTAASA-N 1 3 296.415 -0.077 20 0 CBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000642918433 357770373 /nfs/dbraw/zinc/77/03/73/357770373.db2.gz UUBFYXYHHYTARH-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919746 357770590 /nfs/dbraw/zinc/77/05/90/357770590.db2.gz FMYFWMXWVJYONF-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000642960485 357773975 /nfs/dbraw/zinc/77/39/75/357773975.db2.gz WTCBRJPZPKZPOS-VXGBXAGGSA-N 1 3 280.372 -0.854 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000643592635 357791359 /nfs/dbraw/zinc/79/13/59/357791359.db2.gz RRPARDAHDQBPEV-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000643471884 357784104 /nfs/dbraw/zinc/78/41/04/357784104.db2.gz NWWQRSBXMHBTND-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643478972 357785190 /nfs/dbraw/zinc/78/51/90/357785190.db2.gz XKVFOOWKSKIIGQ-UHFFFAOYSA-N 1 3 291.355 -0.853 20 0 CBADHO CNC(=O)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336598 283354593 /nfs/dbraw/zinc/35/45/93/283354593.db2.gz IXVYHFDFMLNHRN-QWRGUYRKSA-N 1 3 268.361 -0.237 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1CNCCO1 ZINC000375071344 283571770 /nfs/dbraw/zinc/57/17/70/283571770.db2.gz NREOWDKWULPMAY-DCAQKATOSA-N 1 3 259.325 -0.477 20 0 CBADHO C[C@]1(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]C1 ZINC000514949308 291380352 /nfs/dbraw/zinc/38/03/52/291380352.db2.gz DKQTYRGGPKOFKQ-MDZLAQPJSA-N 1 3 252.362 -0.770 20 0 CBADHO C[C@]1(CNC(=O)NC[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000418536140 291385782 /nfs/dbraw/zinc/38/57/82/291385782.db2.gz IKIRTFAGSQYWIR-AAEUAGOBSA-N 1 3 270.377 -0.336 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011753 /nfs/dbraw/zinc/01/17/53/335011753.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 1 3 285.432 -0.049 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011754 /nfs/dbraw/zinc/01/17/54/335011754.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 1 3 285.432 -0.049 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331922954 204298412 /nfs/dbraw/zinc/29/84/12/204298412.db2.gz CIYIIHHZRLXDPD-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000332314489 204591402 /nfs/dbraw/zinc/59/14/02/204591402.db2.gz NJPJGENRJJGSKN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCN(C(=O)[C@@H](N)CC(F)F)[C@H](C[NH3+])C1 ZINC000569577037 327200857 /nfs/dbraw/zinc/20/08/57/327200857.db2.gz WPRHEALGMRCZRT-SFYZADRCSA-N 1 3 250.293 -0.930 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332558545 204796346 /nfs/dbraw/zinc/79/63/46/204796346.db2.gz OTXXNJIJAZLICK-NWDGAFQWSA-N 1 3 280.372 -0.839 20 0 CBADHO COC[C@]1(CNC(=O)C(N)C(F)(F)F)CCC[NH2+]1 ZINC000353426633 220075779 /nfs/dbraw/zinc/07/57/79/220075779.db2.gz JXKPOHZBOLZCGA-VXNVDRBHSA-N 1 3 269.267 -0.239 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461484 220096712 /nfs/dbraw/zinc/09/67/12/220096712.db2.gz RFISOYIETGRXFL-MRVPVSSYSA-N 1 3 271.283 -0.040 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461484 220096715 /nfs/dbraw/zinc/09/67/15/220096715.db2.gz RFISOYIETGRXFL-MRVPVSSYSA-N 1 3 271.283 -0.040 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333803420 373012726 /nfs/dbraw/zinc/01/27/26/373012726.db2.gz IFDUKSUSIGCELK-VXGBXAGGSA-N 1 3 282.388 -0.112 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CN1C1CC1 ZINC000346124550 373066263 /nfs/dbraw/zinc/06/62/63/373066263.db2.gz XPEZNIFTIYESMT-NWDGAFQWSA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000355319883 373126461 /nfs/dbraw/zinc/12/64/61/373126461.db2.gz RXYHVBYXKXJJRP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CN(C)C)NC(=O)NCCOCC[NH+](C)C ZINC000355333679 373130663 /nfs/dbraw/zinc/13/06/63/373130663.db2.gz CIUIYGZKMSIIFU-LLVKDONJSA-N 1 3 260.382 -0.186 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000361710076 373327157 /nfs/dbraw/zinc/32/71/57/373327157.db2.gz CNVAYUUYAUQHLS-CYBMUJFWSA-N 1 3 268.405 -0.036 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000362836521 373451649 /nfs/dbraw/zinc/45/16/49/373451649.db2.gz HKXXRPKAMMPEOS-FRRDWIJNSA-N 1 3 269.389 -0.027 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000362836521 373451657 /nfs/dbraw/zinc/45/16/57/373451657.db2.gz HKXXRPKAMMPEOS-FRRDWIJNSA-N 1 3 269.389 -0.027 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417443824 373628165 /nfs/dbraw/zinc/62/81/65/373628165.db2.gz AZZZUQNESUFRJH-RYUDHWBXSA-N 1 3 272.393 -0.057 20 0 CBADHO COC[C@@]1(C(=O)N2CCNC(C)(C)C2)CC[NH2+]C1 ZINC000417841724 373632238 /nfs/dbraw/zinc/63/22/38/373632238.db2.gz TWKVNBAQYCLSFE-CYBMUJFWSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419525208 373637896 /nfs/dbraw/zinc/63/78/96/373637896.db2.gz RCFRVRQAQSQQFE-GFCCVEGCSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419243281 373638843 /nfs/dbraw/zinc/63/88/43/373638843.db2.gz SJASDNMORYGTTP-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887256 373643608 /nfs/dbraw/zinc/64/36/08/373643608.db2.gz DEXKYOOSKYZYIP-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419999773 373646394 /nfs/dbraw/zinc/64/63/94/373646394.db2.gz SMAZCOWJZLKNNU-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000574451846 335020622 /nfs/dbraw/zinc/02/06/22/335020622.db2.gz QDJLAQRQWTWSOG-HIFRSBDPSA-N 1 3 288.395 -0.107 20 0 CBADHO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424336391 373666113 /nfs/dbraw/zinc/66/61/13/373666113.db2.gz QKLIQTNRBCFKGH-CHWSQXEVSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000493896406 373734319 /nfs/dbraw/zinc/73/43/19/373734319.db2.gz GAKHYHFUZAYAQE-WDEREUQCSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000493945106 373738375 /nfs/dbraw/zinc/73/83/75/373738375.db2.gz NQIKPRPWUPNDNR-UPJWGTAASA-N 1 3 270.421 -0.031 20 0 CBADHO C[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])CN1CCN(C)CC1 ZINC000493945104 373738547 /nfs/dbraw/zinc/73/85/47/373738547.db2.gz NQIKPRPWUPNDNR-FRRDWIJNSA-N 1 3 270.421 -0.031 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000514596462 373755390 /nfs/dbraw/zinc/75/53/90/373755390.db2.gz VGCYDZTWKYLHAX-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000520231880 373830629 /nfs/dbraw/zinc/83/06/29/373830629.db2.gz GOHYXWMUZZGHHK-UTLUCORTSA-N 1 3 257.334 -0.524 20 0 CBADHO CCN1CCC(NC(=O)CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000520819470 373835157 /nfs/dbraw/zinc/83/51/57/373835157.db2.gz BGABBVBXGDVPGO-AWEZNQCLSA-N 1 3 298.431 -0.364 20 0 CBADHO [NH3+]CCc1ccccc1C(=O)NC[C@H]1CNCCO1 ZINC000515308033 373782434 /nfs/dbraw/zinc/78/24/34/373782434.db2.gz QRLJAAOUCDQPCS-GFCCVEGCSA-N 1 3 263.341 -0.094 20 0 CBADHO CN1CCN(C[C@H](O)CNCCC[NH+]2CCCC2)CC1 ZINC000515347204 373784626 /nfs/dbraw/zinc/78/46/26/373784626.db2.gz WSRMKTWLALHSCH-OAHLLOKOSA-N 1 3 284.448 -0.330 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659027 373794297 /nfs/dbraw/zinc/79/42/97/373794297.db2.gz ANWUAZPBJGUNHI-WCQYABFASA-N 1 3 257.378 -0.066 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659027 373794303 /nfs/dbraw/zinc/79/43/03/373794303.db2.gz ANWUAZPBJGUNHI-WCQYABFASA-N 1 3 257.378 -0.066 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N(C)C ZINC000521269465 373842464 /nfs/dbraw/zinc/84/24/64/373842464.db2.gz ARHPMUZDSNHLBC-RYUDHWBXSA-N 1 3 286.420 -0.245 20 0 CBADHO CC[C@@H]1CN(C)CCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000521642445 373849611 /nfs/dbraw/zinc/84/96/11/373849611.db2.gz ZIDUCFAZMMSIBL-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[C@@H]1CN(C)CCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000521642445 373849618 /nfs/dbraw/zinc/84/96/18/373849618.db2.gz ZIDUCFAZMMSIBL-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)C2CCC2)C1 ZINC000521998597 373855639 /nfs/dbraw/zinc/85/56/39/373855639.db2.gz YWUPNOMXXFVGEG-CHWSQXEVSA-N 1 3 296.415 -0.183 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](N)C2CCC2)C1 ZINC000521998597 373855647 /nfs/dbraw/zinc/85/56/47/373855647.db2.gz YWUPNOMXXFVGEG-CHWSQXEVSA-N 1 3 296.415 -0.183 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)C2CCC2)C1 ZINC000521998601 373855784 /nfs/dbraw/zinc/85/57/84/373855784.db2.gz YWUPNOMXXFVGEG-QWHCGFSZSA-N 1 3 296.415 -0.183 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](N)C2CCC2)C1 ZINC000521998601 373855798 /nfs/dbraw/zinc/85/57/98/373855798.db2.gz YWUPNOMXXFVGEG-QWHCGFSZSA-N 1 3 296.415 -0.183 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000522266323 373867039 /nfs/dbraw/zinc/86/70/39/373867039.db2.gz IFDRUVDGVGODSF-KBPBESRZSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000522266323 373867047 /nfs/dbraw/zinc/86/70/47/373867047.db2.gz IFDRUVDGVGODSF-KBPBESRZSA-N 1 3 282.432 -0.062 20 0 CBADHO CC(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357539 374131814 /nfs/dbraw/zinc/13/18/14/374131814.db2.gz YDSJCCXMECEFBU-UHFFFAOYSA-N 1 3 258.366 -0.926 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCN(C)C2CC2)C1 ZINC000577867621 374342494 /nfs/dbraw/zinc/34/24/94/374342494.db2.gz OTICYDVBYQOANJ-NWDGAFQWSA-N 1 3 255.362 -0.084 20 0 CBADHO COCCNCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577868679 374343012 /nfs/dbraw/zinc/34/30/12/374343012.db2.gz GSSBWELBKQJYLG-HIFRSBDPSA-N 1 3 299.415 -0.033 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000583802397 374366975 /nfs/dbraw/zinc/36/69/75/374366975.db2.gz BYNYQAXLVAUYMJ-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO C[N@H+](CCNC(=O)C(=O)NC1CNC1)C1CCCC1 ZINC000584460079 374372487 /nfs/dbraw/zinc/37/24/87/374372487.db2.gz ZJLXOTAPFUHJTM-UHFFFAOYSA-N 1 3 268.361 -0.935 20 0 CBADHO C[N@@H+](CCNC(=O)C(=O)NC1CNC1)C1CCCC1 ZINC000584460079 374372498 /nfs/dbraw/zinc/37/24/98/374372498.db2.gz ZJLXOTAPFUHJTM-UHFFFAOYSA-N 1 3 268.361 -0.935 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000584459540 374372617 /nfs/dbraw/zinc/37/26/17/374372617.db2.gz UDYCHGHNLWXOCR-CYBMUJFWSA-N 1 3 285.436 -0.127 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000577955506 374346323 /nfs/dbraw/zinc/34/63/23/374346323.db2.gz WATSDRFDFQQDKK-QWRGUYRKSA-N 1 3 271.361 -0.275 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000577955506 374346329 /nfs/dbraw/zinc/34/63/29/374346329.db2.gz WATSDRFDFQQDKK-QWRGUYRKSA-N 1 3 271.361 -0.275 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000643794224 374422238 /nfs/dbraw/zinc/42/22/38/374422238.db2.gz LXTKIYZONQWVEL-UPJWGTAASA-N 1 3 267.373 -0.225 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644161135 374496968 /nfs/dbraw/zinc/49/69/68/374496968.db2.gz QKVQTTMSLMYOFK-BDAKNGLRSA-N 1 3 263.288 -0.664 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)NCC[NH2+]C3CC3)C[C@H]2N)cn1 ZINC000644198705 374501561 /nfs/dbraw/zinc/50/15/61/374501561.db2.gz WKOFHHKFYGACLB-QWHCGFSZSA-N 1 3 292.387 -0.392 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000574524616 335026857 /nfs/dbraw/zinc/02/68/57/335026857.db2.gz DQSNKPIEVZDNTB-UONOGXRCSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000574524616 335026858 /nfs/dbraw/zinc/02/68/58/335026858.db2.gz DQSNKPIEVZDNTB-UONOGXRCSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000574524616 335026859 /nfs/dbraw/zinc/02/68/59/335026859.db2.gz DQSNKPIEVZDNTB-UONOGXRCSA-N 1 3 271.405 -0.389 20 0 CBADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000644548885 374592502 /nfs/dbraw/zinc/59/25/02/374592502.db2.gz UHKGZQNYNMNYBY-UKRRQHHQSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@H](CN1CCN(C)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000644548885 374592508 /nfs/dbraw/zinc/59/25/08/374592508.db2.gz UHKGZQNYNMNYBY-UKRRQHHQSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@H](CN1CCN(C)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644548885 374592511 /nfs/dbraw/zinc/59/25/11/374592511.db2.gz UHKGZQNYNMNYBY-UKRRQHHQSA-N 1 3 284.448 -0.333 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561576 374594918 /nfs/dbraw/zinc/59/49/18/374594918.db2.gz AZIXHHITTYGRTH-TZMCWYRMSA-N 1 3 271.405 -0.248 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000645803287 374700845 /nfs/dbraw/zinc/70/08/45/374700845.db2.gz NIVUXSODWCLGMR-LLVKDONJSA-N 1 3 269.349 -0.253 20 0 CBADHO C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)[NH+](C)C ZINC000645440020 374671366 /nfs/dbraw/zinc/67/13/66/374671366.db2.gz FCUOHLOHDJWAEF-NWDGAFQWSA-N 1 3 299.419 -0.302 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000645478966 374674929 /nfs/dbraw/zinc/67/49/29/374674929.db2.gz VVSKOBSUUONQMW-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645685043 374692387 /nfs/dbraw/zinc/69/23/87/374692387.db2.gz RJOPFPOOMSQYQN-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CN1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645685044 374692436 /nfs/dbraw/zinc/69/24/36/374692436.db2.gz RJOPFPOOMSQYQN-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC[N@@H+]1C ZINC000646210612 374756975 /nfs/dbraw/zinc/75/69/75/374756975.db2.gz ANAKWYNQSLBKGM-SDDRHHMPSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC[N@H+]1C ZINC000646210612 374756979 /nfs/dbraw/zinc/75/69/79/374756979.db2.gz ANAKWYNQSLBKGM-SDDRHHMPSA-N 1 3 257.378 -0.245 20 0 CBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CNCCO3)C2)CC1 ZINC000645978192 374722841 /nfs/dbraw/zinc/72/28/41/374722841.db2.gz WPNSKPBMYLMKKS-OCCSQVGLSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNCCO3)C2)CC1 ZINC000645978192 374722842 /nfs/dbraw/zinc/72/28/42/374722842.db2.gz WPNSKPBMYLMKKS-OCCSQVGLSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CNCCO3)C2)CC1 ZINC000645978192 374722848 /nfs/dbraw/zinc/72/28/48/374722848.db2.gz WPNSKPBMYLMKKS-OCCSQVGLSA-N 1 3 296.415 -0.741 20 0 CBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CNCCO3)C2)CC1 ZINC000645978190 374723102 /nfs/dbraw/zinc/72/31/02/374723102.db2.gz WPNSKPBMYLMKKS-GXTWGEPZSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CNCCO3)C2)CC1 ZINC000645978190 374723107 /nfs/dbraw/zinc/72/31/07/374723107.db2.gz WPNSKPBMYLMKKS-GXTWGEPZSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CNCCO3)C2)CC1 ZINC000645978190 374723112 /nfs/dbraw/zinc/72/31/12/374723112.db2.gz WPNSKPBMYLMKKS-GXTWGEPZSA-N 1 3 296.415 -0.741 20 0 CBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNC3CC3)CC2)C1 ZINC000646002719 374724388 /nfs/dbraw/zinc/72/43/88/374724388.db2.gz AFAQOSFVCAYUAP-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CNC3CC3)CC2)C1 ZINC000646002719 374724390 /nfs/dbraw/zinc/72/43/90/374724390.db2.gz AFAQOSFVCAYUAP-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646003122 374725139 /nfs/dbraw/zinc/72/51/39/374725139.db2.gz SQEURUSZXQEPMA-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646003213 374725401 /nfs/dbraw/zinc/72/54/01/374725401.db2.gz WMWYLRVVLIOESH-UONOGXRCSA-N 1 3 298.431 -0.411 20 0 CBADHO CC(=O)NCCN(C)C/C=C/C[N@H+](C)CCNC(C)=O ZINC000646047160 374734851 /nfs/dbraw/zinc/73/48/51/374734851.db2.gz IBKJXJGXCRYERS-AATRIKPKSA-N 1 3 284.404 -0.322 20 0 CBADHO CC(=O)NCCN(C)C/C=C/C[N@@H+](C)CCNC(C)=O ZINC000646047160 374734860 /nfs/dbraw/zinc/73/48/60/374734860.db2.gz IBKJXJGXCRYERS-AATRIKPKSA-N 1 3 284.404 -0.322 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000646635410 374796703 /nfs/dbraw/zinc/79/67/03/374796703.db2.gz LPCZAFWPOFAKNT-OPQQBVKSSA-N 1 3 255.362 -0.003 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803744 374816539 /nfs/dbraw/zinc/81/65/39/374816539.db2.gz LTFXKBSLCVLUNH-JGVFFNPUSA-N 1 3 267.337 -0.864 20 0 CBADHO O=C(C[C@H]1CC[NH2+]C1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803717 374816676 /nfs/dbraw/zinc/81/66/76/374816676.db2.gz IPOFPHNBBZOGTO-SECBINFHSA-N 1 3 279.348 -0.848 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336216 374770986 /nfs/dbraw/zinc/77/09/86/374770986.db2.gz LGVDKLZUZDGLOM-PWSUYJOCSA-N 1 3 253.346 -0.425 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646343893 374772477 /nfs/dbraw/zinc/77/24/77/374772477.db2.gz VUTMXCLAWWYTHU-AVGNSLFASA-N 1 3 267.373 -0.035 20 0 CBADHO NC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000646350364 374772882 /nfs/dbraw/zinc/77/28/82/374772882.db2.gz ZYHIZWIKGWHBAZ-LLVKDONJSA-N 1 3 252.362 -0.626 20 0 CBADHO CC1(C)CN[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363889 374774516 /nfs/dbraw/zinc/77/45/16/374774516.db2.gz KCRCKGYLJKRKNX-RYUDHWBXSA-N 1 3 266.389 -0.510 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000646410995 374775983 /nfs/dbraw/zinc/77/59/83/374775983.db2.gz AHGAANGMVRJJKT-GFCCVEGCSA-N 1 3 268.405 -0.119 20 0 CBADHO O=C(CCOC1CNC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372000 374776597 /nfs/dbraw/zinc/77/65/97/374776597.db2.gz AWJHTXRUGBNSKH-UHFFFAOYSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N(C)C ZINC000646427139 374778428 /nfs/dbraw/zinc/77/84/28/374778428.db2.gz NZZDLMRDOXZWHI-SNVBAGLBSA-N 1 3 268.365 -0.303 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000647080761 374881178 /nfs/dbraw/zinc/88/11/78/374881178.db2.gz KJGYMPXIAQZPAG-ZIAGYGMSSA-N 1 3 294.374 -0.112 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647086676 374883953 /nfs/dbraw/zinc/88/39/53/374883953.db2.gz VPRNOZYJGDJOOJ-FRRDWIJNSA-N 1 3 267.373 -0.273 20 0 CBADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000646918529 374842300 /nfs/dbraw/zinc/84/23/00/374842300.db2.gz YIOFQLCOINWEDO-MJBXVCDLSA-N 1 3 278.400 -0.461 20 0 CBADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000646918529 374842307 /nfs/dbraw/zinc/84/23/07/374842307.db2.gz YIOFQLCOINWEDO-MJBXVCDLSA-N 1 3 278.400 -0.461 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574639019 335036205 /nfs/dbraw/zinc/03/62/05/335036205.db2.gz QIJIMVJJQRFRKV-SMDDNHRTSA-N 1 3 283.372 -0.131 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)CN1 ZINC000356397574 248246517 /nfs/dbraw/zinc/24/65/17/248246517.db2.gz XXYVYPRYAPUTKJ-AGIUHOORSA-N 1 3 296.415 -0.395 20 0 CBADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN2CCC1CC2 ZINC000357001372 248307212 /nfs/dbraw/zinc/30/72/12/248307212.db2.gz SEKNXYAGXJZRMG-AWEZNQCLSA-N 1 3 278.400 -0.317 20 0 CBADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN2CCC1CC2 ZINC000357001372 248307214 /nfs/dbraw/zinc/30/72/14/248307214.db2.gz SEKNXYAGXJZRMG-AWEZNQCLSA-N 1 3 278.400 -0.317 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCOC1CNC1 ZINC000357314126 248352034 /nfs/dbraw/zinc/35/20/34/248352034.db2.gz LOZVYXDCCRATQE-NRUUGDAUSA-N 1 3 255.362 -0.132 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000357312087 248352053 /nfs/dbraw/zinc/35/20/53/248352053.db2.gz VJNCFVKZKYWNJM-DCQANWLSSA-N 1 3 255.362 -0.132 20 0 CBADHO CC[NH+](CC)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126054205 284627946 /nfs/dbraw/zinc/62/79/46/284627946.db2.gz DKDYSADIAWVPNI-LBPRGKRZSA-N 1 3 272.393 -0.456 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419729699 284626967 /nfs/dbraw/zinc/62/69/67/284626967.db2.gz IOBDPETYRDZICV-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO COCCNCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127641 412885096 /nfs/dbraw/zinc/88/50/96/412885096.db2.gz QLCRIMUAMGCACB-NWDGAFQWSA-N 1 3 255.362 -0.131 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000346979705 218077936 /nfs/dbraw/zinc/07/79/36/218077936.db2.gz LQKGXTMBOCICJC-LBPRGKRZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187527 218150635 /nfs/dbraw/zinc/15/06/35/218150635.db2.gz CDXJGFKPWGCDRM-MNOVXSKESA-N 1 3 280.372 -0.357 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000062983192 284775251 /nfs/dbraw/zinc/77/52/51/284775251.db2.gz WJYSUBMHXFAHDE-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CN1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000347660465 218311172 /nfs/dbraw/zinc/31/11/72/218311172.db2.gz WKPKQLPCLPNFKT-LLVKDONJSA-N 1 3 268.361 -0.981 20 0 CBADHO O=C(N1CCCNCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000574757060 335044992 /nfs/dbraw/zinc/04/49/92/335044992.db2.gz OFJGVSXUIOIXJY-UHFFFAOYSA-N 1 3 277.372 -0.216 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000154657294 207381457 /nfs/dbraw/zinc/38/14/57/207381457.db2.gz CIZQCLDEGNDEFH-NEPJUHHUSA-N 1 3 284.404 -0.632 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000154656965 207381491 /nfs/dbraw/zinc/38/14/91/207381491.db2.gz CIZQCLDEGNDEFH-NWDGAFQWSA-N 1 3 284.404 -0.632 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000154657179 207382293 /nfs/dbraw/zinc/38/22/93/207382293.db2.gz CIZQCLDEGNDEFH-RYUDHWBXSA-N 1 3 284.404 -0.632 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CNCCO1 ZINC000418453124 207585948 /nfs/dbraw/zinc/58/59/48/207585948.db2.gz YSANBRIOQCSKKZ-MNOVXSKESA-N 1 3 258.366 -0.209 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342719936 532979847 /nfs/dbraw/zinc/97/98/47/532979847.db2.gz YHPJWPHQBMHZJX-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237085631 285026583 /nfs/dbraw/zinc/02/65/83/285026583.db2.gz ILRUQAYUVUWIGJ-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423382761 285026850 /nfs/dbraw/zinc/02/68/50/285026850.db2.gz PCOHCGMGOXACMB-HIFRSBDPSA-N 1 3 299.415 -0.161 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000246218391 285027722 /nfs/dbraw/zinc/02/77/22/285027722.db2.gz GLBYHYRVGNYARK-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419890398 207754645 /nfs/dbraw/zinc/75/46/45/207754645.db2.gz MIROXHXRSKWXTN-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430711719 208176843 /nfs/dbraw/zinc/17/68/43/208176843.db2.gz GCDSCGUREZAPRX-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430636470 208168799 /nfs/dbraw/zinc/16/87/99/208168799.db2.gz JGNZRFZRUAMROK-AAEUAGOBSA-N 1 3 294.399 -0.463 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC000430621061 208169231 /nfs/dbraw/zinc/16/92/31/208169231.db2.gz CSYUTIZXFNBNPW-LBPRGKRZSA-N 1 3 282.388 -0.604 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430718324 208174320 /nfs/dbraw/zinc/17/43/20/208174320.db2.gz BVVFDUBYIZOBMN-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CNCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430722606 208176639 /nfs/dbraw/zinc/17/66/39/208176639.db2.gz QSAUMNSVKZIVLN-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCCC[NH+]1CCC(O)CC1 ZINC000430749878 208178328 /nfs/dbraw/zinc/17/83/28/208178328.db2.gz LTKHEIDDEPAGOC-AWEZNQCLSA-N 1 3 299.415 -0.282 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430755152 208179562 /nfs/dbraw/zinc/17/95/62/208179562.db2.gz PKJHFORUNXSEBR-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2CNC2)CC[N@@H+]1C ZINC000430785683 208181024 /nfs/dbraw/zinc/18/10/24/208181024.db2.gz YHLFSTOBZJFYON-MNOVXSKESA-N 1 3 255.362 -0.084 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2CNC2)CC[N@H+]1C ZINC000430785683 208181028 /nfs/dbraw/zinc/18/10/28/208181028.db2.gz YHLFSTOBZJFYON-MNOVXSKESA-N 1 3 255.362 -0.084 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCCN2)C1 ZINC000430886508 208188236 /nfs/dbraw/zinc/18/82/36/208188236.db2.gz AMQDAQDCVXHRCZ-OLZOCXBDSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCCN2)C1 ZINC000430886508 208188244 /nfs/dbraw/zinc/18/82/44/208188244.db2.gz AMQDAQDCVXHRCZ-OLZOCXBDSA-N 1 3 296.415 -0.168 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430882003 208188538 /nfs/dbraw/zinc/18/85/38/208188538.db2.gz GPMNSBZPRSMNHM-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000430910968 208191107 /nfs/dbraw/zinc/19/11/07/208191107.db2.gz ZSXOQPJYBYQPHM-CQSZACIVSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@H]([NH3+])C2)CC1 ZINC000430916426 208191449 /nfs/dbraw/zinc/19/14/49/208191449.db2.gz HGLZKZXBMKOPJV-NSHDSACASA-N 1 3 254.378 -0.380 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431002321 208196997 /nfs/dbraw/zinc/19/69/97/208196997.db2.gz MNUIBDMHESEDOY-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CNCCO1 ZINC000431017347 208197492 /nfs/dbraw/zinc/19/74/92/208197492.db2.gz PUTKSEROVOFIJA-QWHCGFSZSA-N 1 3 287.404 -0.162 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000431009883 208199944 /nfs/dbraw/zinc/19/99/44/208199944.db2.gz LMEVKQWRUJXMEB-GFCCVEGCSA-N 1 3 256.394 -0.277 20 0 CBADHO CC[NH+]1CCN(CCCNC(=O)[C@H]2CNCCO2)CC1 ZINC000431017367 208200018 /nfs/dbraw/zinc/20/00/18/208200018.db2.gz PYEBJQCFKRCEAJ-CYBMUJFWSA-N 1 3 284.404 -0.881 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431027768 208202385 /nfs/dbraw/zinc/20/23/85/208202385.db2.gz KVVFKDTYXCBGLH-KBPBESRZSA-N 1 3 298.431 -0.493 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433156788 208239087 /nfs/dbraw/zinc/23/90/87/208239087.db2.gz CXXJHODSDUJSLM-CYBMUJFWSA-N 1 3 270.421 -0.029 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434876558 208271497 /nfs/dbraw/zinc/27/14/97/208271497.db2.gz YSHDDNPTTGHEMC-VXGBXAGGSA-N 1 3 287.429 -0.082 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434698202 208265892 /nfs/dbraw/zinc/26/58/92/208265892.db2.gz DDFHLMAJRGVRSW-SCVCMEIPSA-N 1 3 270.377 -0.705 20 0 CBADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCOCC1 ZINC000442765398 208366147 /nfs/dbraw/zinc/36/61/47/208366147.db2.gz JLPXHNKAQGRYDQ-RYUDHWBXSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765398 208366152 /nfs/dbraw/zinc/36/61/52/208366152.db2.gz JLPXHNKAQGRYDQ-RYUDHWBXSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765398 208366155 /nfs/dbraw/zinc/36/61/55/208366155.db2.gz JLPXHNKAQGRYDQ-RYUDHWBXSA-N 1 3 255.362 -0.096 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420040493 285255862 /nfs/dbraw/zinc/25/58/62/285255862.db2.gz OXQSWGLBEXBZFI-VXGBXAGGSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044786 335058418 /nfs/dbraw/zinc/05/84/18/335058418.db2.gz YOBUOYUAIKPGFQ-HTQZYQBOSA-N 1 3 268.283 -0.714 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424159547 285332314 /nfs/dbraw/zinc/33/23/14/285332314.db2.gz VQKXTRNXEVGKPF-TUAOUCFPSA-N 1 3 254.378 -0.524 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349009563 285332572 /nfs/dbraw/zinc/33/25/72/285332572.db2.gz XJHQECBKMODNFP-ZDUSSCGKSA-N 1 3 298.431 -0.493 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376696777 285333138 /nfs/dbraw/zinc/33/31/38/285333138.db2.gz ZITNKTPHUQCFES-JSGCOSHPSA-N 1 3 286.395 -0.170 20 0 CBADHO COC1(C(=O)NCCN(C)C2CC2)CC[NH2+]CC1 ZINC000261567021 292093485 /nfs/dbraw/zinc/09/34/85/292093485.db2.gz INDOHLFBJCEFBC-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CNCCO1 ZINC000333520552 297093345 /nfs/dbraw/zinc/09/33/45/297093345.db2.gz KOZOAHAAGIHZPW-UPJWGTAASA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CNCCO1 ZINC000333520552 297093348 /nfs/dbraw/zinc/09/33/48/297093348.db2.gz KOZOAHAAGIHZPW-UPJWGTAASA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332187919 297097167 /nfs/dbraw/zinc/09/71/67/297097167.db2.gz TXXZLXDVFMRLKY-UTUOFQBUSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CNCCO1 ZINC000333520548 297098407 /nfs/dbraw/zinc/09/84/07/297098407.db2.gz KOZOAHAAGIHZPW-FRRDWIJNSA-N 1 3 282.388 -0.147 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COC2CNC2)C1 ZINC000430775748 289377467 /nfs/dbraw/zinc/37/74/67/289377467.db2.gz MDKDHWAWHQWTKC-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417760043 292337072 /nfs/dbraw/zinc/33/70/72/292337072.db2.gz XDKYOOPHYNLPPY-GHMZBOCLSA-N 1 3 260.382 -0.010 20 0 CBADHO C[C@H](C(N)=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247193315 298242504 /nfs/dbraw/zinc/24/25/04/298242504.db2.gz OGMONRTZDITQTC-WDEREUQCSA-N 1 3 257.378 -0.115 20 0 CBADHO C[C@H]1CCCN(C(=O)CCOC2CNC2)[C@H]1C[NH3+] ZINC000349026739 299820955 /nfs/dbraw/zinc/82/09/55/299820955.db2.gz KSKPWLHJHRGCGS-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420030999 286826201 /nfs/dbraw/zinc/82/62/01/286826201.db2.gz RBFBVJFEBBGWIM-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419428615 298523542 /nfs/dbraw/zinc/52/35/42/298523542.db2.gz TZQXYCLRDOEOOX-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H]1CN(CCOCC[NH3+])CCN1C[C@@H](C)O ZINC000357077966 287195927 /nfs/dbraw/zinc/19/59/27/287195927.db2.gz JOPUVZVYDIVBGN-CHWSQXEVSA-N 1 3 259.394 -0.261 20 0 CBADHO O=C(CN1CCNCC1)NCCC[NH+]1CCCCC1 ZINC000037631204 411623986 /nfs/dbraw/zinc/62/39/86/411623986.db2.gz SCLNRMCGBCOYQY-UHFFFAOYSA-N 1 3 268.405 -0.116 20 0 CBADHO CN(C)C/C=C\C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491871515 412290007 /nfs/dbraw/zinc/29/00/07/412290007.db2.gz QSAXEMJBWMOODT-LLPBQKLSSA-N 1 3 296.415 -0.192 20 0 CBADHO CN(C)C/C=C\C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491871515 412290009 /nfs/dbraw/zinc/29/00/09/412290009.db2.gz QSAXEMJBWMOODT-LLPBQKLSSA-N 1 3 296.415 -0.192 20 0 CBADHO N[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662750627 413990727 /nfs/dbraw/zinc/99/07/27/413990727.db2.gz VJFJNZXNUWSULR-JMJZKYOTSA-N 1 3 281.335 -0.002 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000662750469 413992118 /nfs/dbraw/zinc/99/21/18/413992118.db2.gz SOZQIRJSJYQNOG-GHMZBOCLSA-N 1 3 291.355 -0.212 20 0 CBADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900535 414061379 /nfs/dbraw/zinc/06/13/79/414061379.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900535 414061389 /nfs/dbraw/zinc/06/13/89/414061389.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H]1CCCN(CCC(=O)N2CCNCC2)[C@@H]1C[NH3+] ZINC000262103812 287346834 /nfs/dbraw/zinc/34/68/34/287346834.db2.gz MERKJTWECDXILX-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)[C@@H]1CN ZINC000262103812 287346837 /nfs/dbraw/zinc/34/68/37/287346837.db2.gz MERKJTWECDXILX-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)[C@@H]1CN ZINC000262103812 287346838 /nfs/dbraw/zinc/34/68/38/287346838.db2.gz MERKJTWECDXILX-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[NH2+]CC(=O)NCCCN1CCN(C)CC1 ZINC000040808859 544418534 /nfs/dbraw/zinc/41/85/34/544418534.db2.gz AQVCFBHIMJRKOG-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000073433719 544422730 /nfs/dbraw/zinc/42/27/30/544422730.db2.gz ASPUNBNTOLYJJT-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[N@H+](CCCN)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695940 544444363 /nfs/dbraw/zinc/44/43/63/544444363.db2.gz XCZRBJPUVQYBDQ-LLVKDONJSA-N 1 3 263.407 -0.061 20 0 CBADHO C[N@@H+](CCCN)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695940 544444368 /nfs/dbraw/zinc/44/43/68/544444368.db2.gz XCZRBJPUVQYBDQ-LLVKDONJSA-N 1 3 263.407 -0.061 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1C ZINC000098061767 544447209 /nfs/dbraw/zinc/44/72/09/544447209.db2.gz CIMVPKGJBVRQDZ-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[N@H+]1C ZINC000098061767 544447212 /nfs/dbraw/zinc/44/72/12/544447212.db2.gz CIMVPKGJBVRQDZ-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000226078899 544492671 /nfs/dbraw/zinc/49/26/71/544492671.db2.gz QKWAJJAMWRJGNO-SECBINFHSA-N 1 3 252.322 -0.939 20 0 CBADHO C[NH+]1CCC(CCNC(=O)CN2CCNCC2)CC1 ZINC000229943639 544499704 /nfs/dbraw/zinc/49/97/04/544499704.db2.gz PUOFNIDRBMXGBY-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000131970469 544459754 /nfs/dbraw/zinc/45/97/54/544459754.db2.gz QGALBYQVCLRGAK-STQMWFEESA-N 1 3 298.431 -0.114 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167660163 544478800 /nfs/dbraw/zinc/47/88/00/544478800.db2.gz IVGKYPYKEBIEEY-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000167660163 544478815 /nfs/dbraw/zinc/47/88/15/544478815.db2.gz IVGKYPYKEBIEEY-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC1=O ZINC000237160881 544508805 /nfs/dbraw/zinc/50/88/05/544508805.db2.gz HIPOILFMJFCVFN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CCCN(CCC(=O)N2CCNCC2)[C@@H]1C[NH3+] ZINC000262103816 544517381 /nfs/dbraw/zinc/51/73/81/544517381.db2.gz MERKJTWECDXILX-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)[C@@H]1CN ZINC000262103816 544517385 /nfs/dbraw/zinc/51/73/85/544517385.db2.gz MERKJTWECDXILX-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)[C@@H]1CN ZINC000262103816 544517387 /nfs/dbraw/zinc/51/73/87/544517387.db2.gz MERKJTWECDXILX-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)CN1CC[NH2+]CC1 ZINC000037825218 419411351 /nfs/dbraw/zinc/41/13/51/419411351.db2.gz JSYXTESOYRXBPB-UHFFFAOYSA-N 1 3 270.421 -0.062 20 0 CBADHO COC(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212736 419479823 /nfs/dbraw/zinc/47/98/23/419479823.db2.gz DPRIWDYEEREIPE-UHFFFAOYSA-N 1 3 274.365 -0.706 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ccccc1=O ZINC000103212241 419479912 /nfs/dbraw/zinc/47/99/12/419479912.db2.gz KBFXRCSXZDUUPN-UHFFFAOYSA-N 1 3 294.399 -0.200 20 0 CBADHO C[NH2+]CCOCCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000625863995 419431504 /nfs/dbraw/zinc/43/15/04/419431504.db2.gz DQLNEMIQUFHDAN-UHFFFAOYSA-N 1 3 298.391 -0.198 20 0 CBADHO O=C(CCN1CC[C@H]([NH+]2CCCC2)C1)N1CCNCC1 ZINC000062980249 419465238 /nfs/dbraw/zinc/46/52/38/419465238.db2.gz XYIBZFGQKNOUDT-AWEZNQCLSA-N 1 3 280.416 -0.022 20 0 CBADHO O=C(CC[N@@H+]1CC[C@H](N2CCCC2)C1)N1CCNCC1 ZINC000062980249 419465244 /nfs/dbraw/zinc/46/52/44/419465244.db2.gz XYIBZFGQKNOUDT-AWEZNQCLSA-N 1 3 280.416 -0.022 20 0 CBADHO O=C(CC[N@H+]1CC[C@H](N2CCCC2)C1)N1CCNCC1 ZINC000062980249 419465247 /nfs/dbraw/zinc/46/52/47/419465247.db2.gz XYIBZFGQKNOUDT-AWEZNQCLSA-N 1 3 280.416 -0.022 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@H+](C)CCOC)C[C@H]1C ZINC000388954274 544577578 /nfs/dbraw/zinc/57/75/78/544577578.db2.gz ZRUZEEYWCJRVIV-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1C ZINC000388954274 544577581 /nfs/dbraw/zinc/57/75/81/544577581.db2.gz ZRUZEEYWCJRVIV-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CC(C)CN(CC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252305 419562580 /nfs/dbraw/zinc/56/25/80/419562580.db2.gz OYNYCXIUDRMLPC-NSHDSACASA-N 1 3 255.362 -0.049 20 0 CBADHO COC[C@@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])OC ZINC000662271683 419566571 /nfs/dbraw/zinc/56/65/71/419566571.db2.gz IKQFALGCOHASSY-QWHCGFSZSA-N 1 3 287.404 -0.033 20 0 CBADHO C[C@H](NC(=O)COC1(C)CNC1)[C@H]1CCC[NH2+]C1 ZINC000647723927 419638499 /nfs/dbraw/zinc/63/84/99/419638499.db2.gz AUWSDAQNLVMPFW-QWRGUYRKSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1CN(CC[NH2+]C2(CO)CCNCC2)CCO1 ZINC000662284990 419571654 /nfs/dbraw/zinc/57/16/54/419571654.db2.gz SZPLINRYDIXUHS-GFCCVEGCSA-N 1 3 257.378 -0.589 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1 ZINC000662285017 419571726 /nfs/dbraw/zinc/57/17/26/419571726.db2.gz UKANGNVMQXWQQQ-YNEHKIRRSA-N 1 3 267.373 -0.742 20 0 CBADHO C[NH2+]CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000237221615 419579141 /nfs/dbraw/zinc/57/91/41/419579141.db2.gz NDTCKWMBOUVXIS-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COCCO1 ZINC000662307486 419582973 /nfs/dbraw/zinc/58/29/73/419582973.db2.gz WHEJRIXLYJEADP-RYUDHWBXSA-N 1 3 256.346 -0.145 20 0 CBADHO [NH3+]CCOCCN1CC[C@H](CN2CCCC2=O)C1 ZINC000662315605 419583887 /nfs/dbraw/zinc/58/38/87/419583887.db2.gz GSHGOUBBYCARGC-LBPRGKRZSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@@H]1CCCCN1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662386534 419592767 /nfs/dbraw/zinc/59/27/67/419592767.db2.gz BVRWBWFAELDZDX-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO CC1(C)C[NH2+]CCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000647500448 419594814 /nfs/dbraw/zinc/59/48/14/419594814.db2.gz PKMLKYAJOSESKU-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037359 419598164 /nfs/dbraw/zinc/59/81/64/419598164.db2.gz KTBBJEBSCAGEAQ-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO C[NH2+]C[C@H](O)CNC[C@@H](O)CN(C)Cc1ccccc1 ZINC000647526527 419603573 /nfs/dbraw/zinc/60/35/73/419603573.db2.gz APXABEDMIXEIAE-LSDHHAIUSA-N 1 3 281.400 -0.351 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000647540393 419606401 /nfs/dbraw/zinc/60/64/01/419606401.db2.gz MZIDIMQEWYNRTF-AVGNSLFASA-N 1 3 286.395 -0.185 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000662479774 419616167 /nfs/dbraw/zinc/61/61/67/419616167.db2.gz MRWQSJFHDUOSFA-QWHCGFSZSA-N 1 3 270.421 -0.016 20 0 CBADHO COCCN(C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311177375 419619275 /nfs/dbraw/zinc/61/92/75/419619275.db2.gz WTVUJEPCHIKXAI-AVGNSLFASA-N 1 3 257.378 -0.923 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1=CCN(C)CC1 ZINC000647595063 419619766 /nfs/dbraw/zinc/61/97/66/419619766.db2.gz LMNMSXAWJUUUCC-SDDRHHMPSA-N 1 3 296.415 -0.005 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647605979 419623679 /nfs/dbraw/zinc/62/36/79/419623679.db2.gz SXMWNNSGGYECRW-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332241814 419661978 /nfs/dbraw/zinc/66/19/78/419661978.db2.gz AKVQVHURVAESGM-CYBMUJFWSA-N 1 3 296.415 -0.121 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOC[C@H]2CCCO2)C1 ZINC000647828573 419664353 /nfs/dbraw/zinc/66/43/53/419664353.db2.gz MVTHAJUBIFQYBU-ZIAGYGMSSA-N 1 3 299.415 -0.031 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000331503642 419664330 /nfs/dbraw/zinc/66/43/30/419664330.db2.gz SLOUMKIVZZUBGI-CHWSQXEVSA-N 1 3 296.415 -0.265 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CNC1 ZINC000647829478 419666136 /nfs/dbraw/zinc/66/61/36/419666136.db2.gz MKFLAOGYOHNKFV-WDEREUQCSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662659359 419674773 /nfs/dbraw/zinc/67/47/73/419674773.db2.gz KKMNZYHHMISLFE-SWLSCSKDSA-N 1 3 296.415 -0.536 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000647874209 419679703 /nfs/dbraw/zinc/67/97/03/419679703.db2.gz IMHAKJVDTTXVLD-UWVGGRQHSA-N 1 3 276.331 -0.668 20 0 CBADHO C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000662699065 419691495 /nfs/dbraw/zinc/69/14/95/419691495.db2.gz WCABJOCWIVMPRY-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CCCN1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000662703011 419692346 /nfs/dbraw/zinc/69/23/46/419692346.db2.gz GNVLBTXLVYYXNP-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])N(C)C1CC1 ZINC000662711851 419698239 /nfs/dbraw/zinc/69/82/39/419698239.db2.gz FEXZBKNTZVKHLN-JLLWLGSASA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])N(C)C1CC1 ZINC000662711852 419698789 /nfs/dbraw/zinc/69/87/89/419698789.db2.gz FEXZBKNTZVKHLN-USWWRNFRSA-N 1 3 255.362 -0.051 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662713833 419699399 /nfs/dbraw/zinc/69/93/99/419699399.db2.gz ZJPYZFQJOVCEKR-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCC12CC(C1)C[NH2+]2 ZINC000662726021 419703652 /nfs/dbraw/zinc/70/36/52/419703652.db2.gz YJZFTJVDFPKFFL-AKJDGMEZSA-N 1 3 253.346 -0.377 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662745105 419707056 /nfs/dbraw/zinc/70/70/56/419707056.db2.gz FNDXHGDNRRZLJM-SNVBAGLBSA-N 1 3 266.349 -0.692 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000647770073 419651543 /nfs/dbraw/zinc/65/15/43/419651543.db2.gz VXAGOCSUSNHNOE-HNNXBMFYSA-N 1 3 290.411 -0.080 20 0 CBADHO CCCN(C(=O)COC1(C)CNC1)[C@H]1CC[NH2+]C1 ZINC000647767961 419652380 /nfs/dbraw/zinc/65/23/80/419652380.db2.gz CUEYFKNSWUAMMF-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1CSCCN1 ZINC000647777174 419654434 /nfs/dbraw/zinc/65/44/34/419654434.db2.gz CJWVDIOKPYGKDH-LBPRGKRZSA-N 1 3 286.445 -0.555 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662800935 419729710 /nfs/dbraw/zinc/72/97/10/419729710.db2.gz HEXJHKJBXYDZFB-NWDGAFQWSA-N 1 3 255.362 -0.097 20 0 CBADHO CCC[C@H]1CNCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000648108442 419729930 /nfs/dbraw/zinc/72/99/30/419729930.db2.gz VDSFQKMTLUNKEP-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CNC1 ZINC000648109120 419731309 /nfs/dbraw/zinc/73/13/09/419731309.db2.gz ZFHKNKLXNQQLSJ-SRVKXCTJSA-N 1 3 267.373 -0.049 20 0 CBADHO CC[C@@H]1CN(C(=O)COC2(C)CNC2)CC[C@H]1[NH3+] ZINC000648126508 419741431 /nfs/dbraw/zinc/74/14/31/419741431.db2.gz LLZOKKMQPTTWOC-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000648128720 419742910 /nfs/dbraw/zinc/74/29/10/419742910.db2.gz LWQRHYVBWGORRH-NHCYSSNCSA-N 1 3 270.377 -0.657 20 0 CBADHO [NH3+]CCn1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)nn1 ZINC000662835726 419743451 /nfs/dbraw/zinc/74/34/51/419743451.db2.gz RVPGGLGRVAQFRF-DGCLKSJQSA-N 1 3 292.387 -0.017 20 0 CBADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1=O ZINC000648140917 419753325 /nfs/dbraw/zinc/75/33/25/419753325.db2.gz QNDRTKFMAXUVEP-DCAQKATOSA-N 1 3 286.351 -0.858 20 0 CBADHO CC1(OCC(=O)N[C@H](CC[NH3+])C(F)F)CNC1 ZINC000648146046 419754850 /nfs/dbraw/zinc/75/48/50/419754850.db2.gz SXYWETANMFWBHM-SSDOTTSWSA-N 1 3 251.277 -0.536 20 0 CBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CNCCC1(F)F ZINC000648148201 419759395 /nfs/dbraw/zinc/75/93/95/419759395.db2.gz RKHDLKHRTXPQBJ-UWVGGRQHSA-N 1 3 277.315 -0.274 20 0 CBADHO CC1(OCC(=O)N[C@H]2CC[NH2+]CC2(C)C)CNC1 ZINC000648148248 419759664 /nfs/dbraw/zinc/75/96/64/419759664.db2.gz WZLYRFZWBVJBCK-JTQLQIEISA-N 1 3 255.362 -0.131 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)CC1=O ZINC000662875350 419760082 /nfs/dbraw/zinc/76/00/82/419760082.db2.gz JHZJHNIMVKZADQ-AVERBVTBSA-N 1 3 294.399 -0.654 20 0 CBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN)CC1 ZINC000648152539 419760116 /nfs/dbraw/zinc/76/01/16/419760116.db2.gz CAXVBRJVCLHERG-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN)CC1 ZINC000648152539 419760119 /nfs/dbraw/zinc/76/01/19/419760119.db2.gz CAXVBRJVCLHERG-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152658 419760654 /nfs/dbraw/zinc/76/06/54/419760654.db2.gz SSGHCNOYDXYZBW-GDNZZTSVSA-N 1 3 255.362 -0.512 20 0 CBADHO CC1(OCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CNC1 ZINC000648148392 419760761 /nfs/dbraw/zinc/76/07/61/419760761.db2.gz BMWRODFUQMAULL-WDEREUQCSA-N 1 3 253.346 -0.425 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CC[NH2+]CC2(C)C)CNC1 ZINC000648148249 419761007 /nfs/dbraw/zinc/76/10/07/419761007.db2.gz WZLYRFZWBVJBCK-SNVBAGLBSA-N 1 3 255.362 -0.131 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCCO1 ZINC000648177563 419771623 /nfs/dbraw/zinc/77/16/23/419771623.db2.gz HNIIKUBYDJIUAY-UWVGGRQHSA-N 1 3 277.315 -0.193 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210255 419776801 /nfs/dbraw/zinc/77/68/01/419776801.db2.gz NTPYQSHCQICTMV-AAEUAGOBSA-N 1 3 296.415 -0.123 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CCC[NH3+])CCC1 ZINC000662943985 419787778 /nfs/dbraw/zinc/78/77/78/419787778.db2.gz GQMOMHMDSFLPTA-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000518471633 544601481 /nfs/dbraw/zinc/60/14/81/544601481.db2.gz XBYLKIMXNUIVQO-ZIAGYGMSSA-N 1 3 273.421 -0.191 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000648862094 419816284 /nfs/dbraw/zinc/81/62/84/419816284.db2.gz AQXMTPSDCGYXDM-WZRBSPASSA-N 1 3 255.362 -0.491 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000648862094 419816289 /nfs/dbraw/zinc/81/62/89/419816289.db2.gz AQXMTPSDCGYXDM-WZRBSPASSA-N 1 3 255.362 -0.491 20 0 CBADHO CCN1CCC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000518497440 544601651 /nfs/dbraw/zinc/60/16/51/544601651.db2.gz XXSSUUXJIAWFLT-QWHCGFSZSA-N 1 3 283.420 -0.327 20 0 CBADHO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC000663217002 419827974 /nfs/dbraw/zinc/82/79/74/419827974.db2.gz YYESJSLSEFVYLQ-NSHDSACASA-N 1 3 280.372 -0.488 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](N2CC[C@@H]3COC[C@H]3C2)C1=O ZINC000663221588 419829069 /nfs/dbraw/zinc/82/90/69/419829069.db2.gz PRECFBCLGDBTOY-UPJWGTAASA-N 1 3 295.383 -0.356 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](N2CC[C@H]3COC[C@H]3C2)C1=O ZINC000663221590 419829777 /nfs/dbraw/zinc/82/97/77/419829777.db2.gz PRECFBCLGDBTOY-XQQFMLRXSA-N 1 3 295.383 -0.356 20 0 CBADHO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663218052 419830356 /nfs/dbraw/zinc/83/03/56/419830356.db2.gz YBPWCNIEOZLNMH-RYUDHWBXSA-N 1 3 265.357 -0.282 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000649070056 419831699 /nfs/dbraw/zinc/83/16/99/419831699.db2.gz GPUJFHJMYRWWRE-RYUDHWBXSA-N 1 3 282.388 -0.484 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000649070056 419831704 /nfs/dbraw/zinc/83/17/04/419831704.db2.gz GPUJFHJMYRWWRE-RYUDHWBXSA-N 1 3 282.388 -0.484 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)CCC[NH3+])CC1=O ZINC000649273048 419859424 /nfs/dbraw/zinc/85/94/24/419859424.db2.gz BDTJATRVVHBCRO-LLVKDONJSA-N 1 3 270.377 -0.796 20 0 CBADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492413 419842117 /nfs/dbraw/zinc/84/21/17/419842117.db2.gz STLJTGAXDPGEJH-GHMZBOCLSA-N 1 3 253.346 -0.425 20 0 CBADHO [NH3+]C[C@H]1CN(Cc2nc3c(s2)CNCC3)CCO1 ZINC000663492696 419842712 /nfs/dbraw/zinc/84/27/12/419842712.db2.gz BJNYCZYTVAHKPV-VIFPVBQESA-N 1 3 268.386 -0.052 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492414 419843173 /nfs/dbraw/zinc/84/31/73/419843173.db2.gz STLJTGAXDPGEJH-MNOVXSKESA-N 1 3 253.346 -0.425 20 0 CBADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000663491539 419843191 /nfs/dbraw/zinc/84/31/91/419843191.db2.gz IKBPKCBQDNTLHO-QWHCGFSZSA-N 1 3 279.384 -0.177 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662947457 419789806 /nfs/dbraw/zinc/78/98/06/419789806.db2.gz QVDBAEQUCYOPFL-LLVKDONJSA-N 1 3 279.344 -0.355 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318838 419877768 /nfs/dbraw/zinc/87/77/68/419877768.db2.gz OBDDLIZJXNPICT-WUHRBBMRSA-N 1 3 267.373 -0.321 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CNC1 ZINC000649322896 419884711 /nfs/dbraw/zinc/88/47/11/419884711.db2.gz UYMVWDDHPMPNNL-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CNC1 ZINC000649322896 419884719 /nfs/dbraw/zinc/88/47/19/419884719.db2.gz UYMVWDDHPMPNNL-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCN1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649323563 419888374 /nfs/dbraw/zinc/88/83/74/419888374.db2.gz CIRNGZLNVCSCIQ-NSHDSACASA-N 1 3 271.361 -0.798 20 0 CBADHO C[NH+](C)C1(CNC(=O)COC2(C)CNC2)CCOCC1 ZINC000649332281 419892437 /nfs/dbraw/zinc/89/24/37/419892437.db2.gz NANCOAFHRIEPHJ-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO CN(C)C1CN(c2cnc(N3CC([NH+](C)C)C3)cn2)C1 ZINC000663756220 419860639 /nfs/dbraw/zinc/86/06/39/419860639.db2.gz PNQHZYDKOCERNB-UHFFFAOYSA-N 1 3 276.388 -0.023 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000358517044 419898976 /nfs/dbraw/zinc/89/89/76/419898976.db2.gz CCIUYQSIMXPMCT-NSHDSACASA-N 1 3 260.382 -0.450 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811781 544673443 /nfs/dbraw/zinc/67/34/43/544673443.db2.gz WDVWJBIAPDZRIM-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811781 544673448 /nfs/dbraw/zinc/67/34/48/544673448.db2.gz WDVWJBIAPDZRIM-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357909 419905053 /nfs/dbraw/zinc/90/50/53/419905053.db2.gz XJONCWVXLXESOC-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN1CCC(NC(=O)CN2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410845 419909605 /nfs/dbraw/zinc/90/96/05/419909605.db2.gz YIJXFNLNDHOOJR-GXTWGEPZSA-N 1 3 298.431 -0.365 20 0 CBADHO CCN1CCC(NC(=O)CN(C)CCC[NH3+])CC1 ZINC000649409971 419910839 /nfs/dbraw/zinc/91/08/39/419910839.db2.gz DRHCAIAYFABXHN-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO [NH3+]CCOCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412460 419910860 /nfs/dbraw/zinc/91/08/60/419910860.db2.gz NINSSIGCKURCEL-OLZOCXBDSA-N 1 3 257.378 -0.507 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000358728607 419914370 /nfs/dbraw/zinc/91/43/70/419914370.db2.gz YIQSJFKHGHIETM-BZPMIXESSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000358728607 419914373 /nfs/dbraw/zinc/91/43/73/419914373.db2.gz YIQSJFKHGHIETM-BZPMIXESSA-N 1 3 284.404 -0.165 20 0 CBADHO O=C(N1CCOC2(CNC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000664725435 419914746 /nfs/dbraw/zinc/91/47/46/419914746.db2.gz AQZYXWZMEUMUDM-NSHDSACASA-N 1 3 293.289 -0.271 20 0 CBADHO CCC(CC)(C[NH3+])C(=O)N1CCOC2(CNC2)C1 ZINC000664727378 419915029 /nfs/dbraw/zinc/91/50/29/419915029.db2.gz GRZORBFKFZJCFL-UHFFFAOYSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000358728608 419915128 /nfs/dbraw/zinc/91/51/28/419915128.db2.gz YIQSJFKHGHIETM-DYEKYZERSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000358728608 419915131 /nfs/dbraw/zinc/91/51/31/419915131.db2.gz YIQSJFKHGHIETM-DYEKYZERSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000358728614 419915602 /nfs/dbraw/zinc/91/56/02/419915602.db2.gz YIQSJFKHGHIETM-YRGRVCCFSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000358728614 419915605 /nfs/dbraw/zinc/91/56/05/419915605.db2.gz YIQSJFKHGHIETM-YRGRVCCFSA-N 1 3 284.404 -0.165 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402975 544747761 /nfs/dbraw/zinc/74/77/61/544747761.db2.gz CNKDWAGIZNOXLQ-KGLIPLIRSA-N 1 3 295.431 -0.230 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402974 544748386 /nfs/dbraw/zinc/74/83/86/544748386.db2.gz CNKDWAGIZNOXLQ-KBPBESRZSA-N 1 3 295.431 -0.230 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000669403090 544749518 /nfs/dbraw/zinc/74/95/18/544749518.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 1 3 269.393 -0.635 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 ZINC000669491118 544751489 /nfs/dbraw/zinc/75/14/89/544751489.db2.gz MJBCDUVREGBCEK-QWHCGFSZSA-N 1 3 282.388 -0.160 20 0 CBADHO CC(C)[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1 ZINC000669514813 544752418 /nfs/dbraw/zinc/75/24/18/544752418.db2.gz LHWBKZYMQOJTLY-VXGBXAGGSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(C)CCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000669567924 544754468 /nfs/dbraw/zinc/75/44/68/544754468.db2.gz CESZXPVWUWDIBQ-UHFFFAOYSA-N 1 3 258.366 -0.384 20 0 CBADHO CN(C)CCN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000649684736 419923371 /nfs/dbraw/zinc/92/33/71/419923371.db2.gz ADHINJTTWSXEGZ-AWEZNQCLSA-N 1 3 298.431 -0.853 20 0 CBADHO CN(C)CCN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000649684736 419923375 /nfs/dbraw/zinc/92/33/75/419923375.db2.gz ADHINJTTWSXEGZ-AWEZNQCLSA-N 1 3 298.431 -0.853 20 0 CBADHO CC[N@H+](CCNC(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000358727729 419916591 /nfs/dbraw/zinc/91/65/91/419916591.db2.gz WNZBCLJOFVNXRQ-AWEZNQCLSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[N@@H+](CCNC(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000358727729 419916597 /nfs/dbraw/zinc/91/65/97/419916597.db2.gz WNZBCLJOFVNXRQ-AWEZNQCLSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCO ZINC000665636522 419959731 /nfs/dbraw/zinc/95/97/31/419959731.db2.gz BCBRMUYSBWANCS-NSHDSACASA-N 1 3 260.382 -0.450 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCO ZINC000665636522 419959736 /nfs/dbraw/zinc/95/97/36/419959736.db2.gz BCBRMUYSBWANCS-NSHDSACASA-N 1 3 260.382 -0.450 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213901 420032010 /nfs/dbraw/zinc/03/20/10/420032010.db2.gz JNGOSWBUICJCFQ-FDYHWXHSSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213906 420032656 /nfs/dbraw/zinc/03/26/56/420032656.db2.gz JNGOSWBUICJCFQ-WUHRBBMRSA-N 1 3 269.389 -0.054 20 0 CBADHO CN(C)CCOCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652181755 420050158 /nfs/dbraw/zinc/05/01/58/420050158.db2.gz NAPSFBCDZUJOFR-UHFFFAOYSA-N 1 3 272.393 -0.007 20 0 CBADHO CCN(CCO)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652236931 420054046 /nfs/dbraw/zinc/05/40/46/420054046.db2.gz DBWKULMYBLKDDI-UHFFFAOYSA-N 1 3 272.393 -0.271 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000365105206 420055101 /nfs/dbraw/zinc/05/51/01/420055101.db2.gz NKEJSYXJZBKSRJ-GWNIPJSYSA-N 1 3 267.373 -0.038 20 0 CBADHO O=C(NCCC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000652324004 420057155 /nfs/dbraw/zinc/05/71/55/420057155.db2.gz UFWQGCOESTXIIC-UHFFFAOYSA-N 1 3 282.388 -0.240 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365327307 420061506 /nfs/dbraw/zinc/06/15/06/420061506.db2.gz QBFASUNBUKHKGP-SDDRHHMPSA-N 1 3 255.362 -0.348 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCSC1 ZINC000653110653 420117453 /nfs/dbraw/zinc/11/74/53/420117453.db2.gz PQAVFXSIESFUBY-UBHSHLNASA-N 1 3 299.440 -0.224 20 0 CBADHO CCN(CCNC(=O)[C@H](N)CC[NH+](C)C)C1CC1 ZINC000653115053 420118860 /nfs/dbraw/zinc/11/88/60/420118860.db2.gz AWXXCSCTNUPBMG-GFCCVEGCSA-N 1 3 256.394 -0.134 20 0 CBADHO CN1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114127 420120982 /nfs/dbraw/zinc/12/09/82/420120982.db2.gz ZCODSBHEOOEZBL-OBJOEFQTSA-N 1 3 267.373 -0.320 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CCN1 ZINC000653132829 420121893 /nfs/dbraw/zinc/12/18/93/420121893.db2.gz DDCJFYQJAQSGLV-NWDGAFQWSA-N 1 3 256.394 -0.278 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653155730 420124225 /nfs/dbraw/zinc/12/42/25/420124225.db2.gz DLHCRWUNNYPHNF-GFCCVEGCSA-N 1 3 256.394 -0.182 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653163228 420124609 /nfs/dbraw/zinc/12/46/09/420124609.db2.gz MUDRJLPTVMQGFJ-SDDRHHMPSA-N 1 3 253.346 -0.378 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCOC1CNC1)C2 ZINC000653194358 420128408 /nfs/dbraw/zinc/12/84/08/420128408.db2.gz DYHFJDHAWVLJEK-FZMZJTMJSA-N 1 3 267.373 -0.048 20 0 CBADHO CCO[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000653243518 420130370 /nfs/dbraw/zinc/13/03/70/420130370.db2.gz FYCNRUNITUBZDK-FRRDWIJNSA-N 1 3 285.388 -0.423 20 0 CBADHO CC1(OCC(=O)N2CCC(CC[NH3+])CC2)CNC1 ZINC000653256578 420132159 /nfs/dbraw/zinc/13/21/59/420132159.db2.gz CDKKBDZWARHEPB-UHFFFAOYSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](O)CN[C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283259 420136373 /nfs/dbraw/zinc/13/63/73/420136373.db2.gz WQWYOMIOAFUJOJ-ZJUUUORDSA-N 1 3 257.334 -0.964 20 0 CBADHO CN1CCC[C@@H](N[C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283968 420138042 /nfs/dbraw/zinc/13/80/42/420138042.db2.gz UTEUBTBAZRQVHT-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652666871 420071137 /nfs/dbraw/zinc/07/11/37/420071137.db2.gz WGHNTNCYMYDOAO-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000652694403 420071697 /nfs/dbraw/zinc/07/16/97/420071697.db2.gz WLJQOBGCXODERO-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000652694404 420072344 /nfs/dbraw/zinc/07/23/44/420072344.db2.gz WLJQOBGCXODERO-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000652695518 420072469 /nfs/dbraw/zinc/07/24/69/420072469.db2.gz VYCMZGVBYJSCDM-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000652697114 420074136 /nfs/dbraw/zinc/07/41/36/420074136.db2.gz XFVSVOAOYNSMJQ-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000652700389 420076087 /nfs/dbraw/zinc/07/60/87/420076087.db2.gz QKGQPDLMOMZBHT-ZDUSSCGKSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000652700389 420076096 /nfs/dbraw/zinc/07/60/96/420076096.db2.gz QKGQPDLMOMZBHT-ZDUSSCGKSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652700462 420076215 /nfs/dbraw/zinc/07/62/15/420076215.db2.gz SDFZXYNQAWALNT-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714212 420077531 /nfs/dbraw/zinc/07/75/31/420077531.db2.gz GQDBLHOHDRTPGL-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO COC(=O)CNC(=O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366485466 420086978 /nfs/dbraw/zinc/08/69/78/420086978.db2.gz WIAXEDWSVHVBMY-CQSZACIVSA-N 1 3 283.372 -0.307 20 0 CBADHO COC(=O)CNC(=O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485466 420086982 /nfs/dbraw/zinc/08/69/82/420086982.db2.gz WIAXEDWSVHVBMY-CQSZACIVSA-N 1 3 283.372 -0.307 20 0 CBADHO C[N@@H+]1CC[C@@]2(CCN(CCCC(=O)NC(N)=O)C2)C1 ZINC000366481131 420087903 /nfs/dbraw/zinc/08/79/03/420087903.db2.gz KQOJKYXBCDYPBZ-CYBMUJFWSA-N 1 3 268.361 -0.011 20 0 CBADHO C[N@H+]1CC[C@@]2(CCN(CCCC(=O)NC(N)=O)C2)C1 ZINC000366481131 420087906 /nfs/dbraw/zinc/08/79/06/420087906.db2.gz KQOJKYXBCDYPBZ-CYBMUJFWSA-N 1 3 268.361 -0.011 20 0 CBADHO NC(=O)[C@@]1(O)CC[N@H+](CCCN2CCCCC2)C1 ZINC000370599286 420183087 /nfs/dbraw/zinc/18/30/87/420183087.db2.gz WULXZLMRCVZCFC-CYBMUJFWSA-N 1 3 255.362 -0.216 20 0 CBADHO NC(=O)[C@@]1(O)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000370599286 420183089 /nfs/dbraw/zinc/18/30/89/420183089.db2.gz WULXZLMRCVZCFC-CYBMUJFWSA-N 1 3 255.362 -0.216 20 0 CBADHO CC[C@](C)(N)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000384183309 420201760 /nfs/dbraw/zinc/20/17/60/420201760.db2.gz RAXBVCJTVYBONK-YPMHNXCESA-N 1 3 285.392 -0.199 20 0 CBADHO CC[C@](C)(N)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183309 420201762 /nfs/dbraw/zinc/20/17/62/420201762.db2.gz RAXBVCJTVYBONK-YPMHNXCESA-N 1 3 285.392 -0.199 20 0 CBADHO C[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654350520 420174222 /nfs/dbraw/zinc/17/42/22/420174222.db2.gz KGGAYPFLEMZGAG-QWHCGFSZSA-N 1 3 282.388 -0.459 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444883 420178703 /nfs/dbraw/zinc/17/87/03/420178703.db2.gz FGPWORXHTAQAJX-KWCYVHTRSA-N 1 3 294.399 -0.317 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444883 420178706 /nfs/dbraw/zinc/17/87/06/420178706.db2.gz FGPWORXHTAQAJX-KWCYVHTRSA-N 1 3 294.399 -0.317 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460823 420180388 /nfs/dbraw/zinc/18/03/88/420180388.db2.gz AZHQMRXVKMASBD-YIYPIFLZSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460823 420180391 /nfs/dbraw/zinc/18/03/91/420180391.db2.gz AZHQMRXVKMASBD-YIYPIFLZSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000405006926 420225693 /nfs/dbraw/zinc/22/56/93/420225693.db2.gz BXGKUYUKMTUDLN-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO O=C1CCC(=O)N1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000405347978 420226573 /nfs/dbraw/zinc/22/65/73/420226573.db2.gz WOXFAJDSURGQFG-NSHDSACASA-N 1 3 269.345 -0.818 20 0 CBADHO CCO[C@@H]1CN(C(=O)C(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405203992 420226759 /nfs/dbraw/zinc/22/67/59/420226759.db2.gz HFRNQXMJQJGCIS-OPRDCNLKSA-N 1 3 278.374 -0.758 20 0 CBADHO O=C1CCC(=O)N1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000405347977 420227146 /nfs/dbraw/zinc/22/71/46/420227146.db2.gz WOXFAJDSURGQFG-LLVKDONJSA-N 1 3 269.345 -0.818 20 0 CBADHO COCCN(C)C[C@H](O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405075889 420227234 /nfs/dbraw/zinc/22/72/34/420227234.db2.gz JPABICXJVCOPKO-STQMWFEESA-N 1 3 297.403 -0.316 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418936845 420243143 /nfs/dbraw/zinc/24/31/43/420243143.db2.gz KLGUYPVXWSPIMX-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000418948751 420243808 /nfs/dbraw/zinc/24/38/08/420243808.db2.gz QQOOMSKRIPYTJY-QWRGUYRKSA-N 1 3 272.393 -0.314 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418952174 420243881 /nfs/dbraw/zinc/24/38/81/420243881.db2.gz VGZPDLHLXYDHPT-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)CC[NH2+]C)C1CC1 ZINC000419523613 420246325 /nfs/dbraw/zinc/24/63/25/420246325.db2.gz OTOFFMUFSWTOHG-UHFFFAOYSA-N 1 3 270.377 -0.735 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](CN)C1 ZINC000655418512 420248737 /nfs/dbraw/zinc/24/87/37/420248737.db2.gz ACYKPRYTHYRHGW-MBNYWOFBSA-N 1 3 266.389 -0.523 20 0 CBADHO COCCNCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451053 420250547 /nfs/dbraw/zinc/25/05/47/420250547.db2.gz AEBAZCBOOZDQJL-DGCLKSJQSA-N 1 3 255.362 -0.272 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000423199140 420255452 /nfs/dbraw/zinc/25/54/52/420255452.db2.gz JFLWSMJZCDAXRR-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000422972989 420256274 /nfs/dbraw/zinc/25/62/74/420256274.db2.gz NJSQPEVSPQMDLB-UPJWGTAASA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000422972988 420256331 /nfs/dbraw/zinc/25/63/31/420256331.db2.gz NJSQPEVSPQMDLB-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423598568 420257753 /nfs/dbraw/zinc/25/77/53/420257753.db2.gz VYJWHNNOSHLDDI-OLZOCXBDSA-N 1 3 296.415 -0.123 20 0 CBADHO NC[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514866 420261584 /nfs/dbraw/zinc/26/15/84/420261584.db2.gz FMIJKMNCFWNUQV-HTQZYQBOSA-N 1 3 296.293 -0.750 20 0 CBADHO NC[C@H](NC(=O)COC1CC[NH2+]CC1)C(F)(F)F ZINC000655517436 420262637 /nfs/dbraw/zinc/26/26/37/420262637.db2.gz BZMYTYYEBUXDGE-QMMMGPOBSA-N 1 3 269.267 -0.239 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(N)CCCC2)C1 ZINC000430895092 420272875 /nfs/dbraw/zinc/27/28/75/420272875.db2.gz RZNLDJIHJPAKLN-LBPRGKRZSA-N 1 3 296.415 -0.039 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(N)CCCC2)C1 ZINC000430895092 420272877 /nfs/dbraw/zinc/27/28/77/420272877.db2.gz RZNLDJIHJPAKLN-LBPRGKRZSA-N 1 3 296.415 -0.039 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924812 420278846 /nfs/dbraw/zinc/27/88/46/420278846.db2.gz QXAQSKOVPSKSAN-MRVPVSSYSA-N 1 3 286.298 -0.511 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963073 420282210 /nfs/dbraw/zinc/28/22/10/420282210.db2.gz GCRKGXIDHVYGAM-RQJABVFESA-N 1 3 296.415 -0.036 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963082 420283326 /nfs/dbraw/zinc/28/33/26/420283326.db2.gz ULSPVRZEJKGVLK-QWHCGFSZSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965508 420284352 /nfs/dbraw/zinc/28/43/52/420284352.db2.gz FJYJPHAEHHDART-WUHRBBMRSA-N 1 3 282.388 -0.555 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655966410 420284687 /nfs/dbraw/zinc/28/46/87/420284687.db2.gz WGVWXWMBIFKKEC-MROQNXINSA-N 1 3 282.388 -0.283 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655968912 420285107 /nfs/dbraw/zinc/28/51/07/420285107.db2.gz AWRCOBSCEDGSDN-ZDEQEGDKSA-N 1 3 282.388 -0.426 20 0 CBADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H](C)[NH3+] ZINC000655968093 420285266 /nfs/dbraw/zinc/28/52/66/420285266.db2.gz MCDWOASKZYETJM-ZRUFSTJUSA-N 1 3 256.350 -0.818 20 0 CBADHO [NH3+]CC1(CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000655969029 420285572 /nfs/dbraw/zinc/28/55/72/420285572.db2.gz LWWLOAHTUYERRS-NWDGAFQWSA-N 1 3 282.388 -0.424 20 0 CBADHO C[C@H](Cn1cncn1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873042 420364083 /nfs/dbraw/zinc/36/40/83/420364083.db2.gz QXLANAYGROFRPD-CHWSQXEVSA-N 1 3 294.403 -0.156 20 0 CBADHO C[C@H](Cn1cncn1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657873042 420364088 /nfs/dbraw/zinc/36/40/88/420364088.db2.gz QXLANAYGROFRPD-CHWSQXEVSA-N 1 3 294.403 -0.156 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019144 420292396 /nfs/dbraw/zinc/29/23/96/420292396.db2.gz AEVXZHQANGMXRE-NWDGAFQWSA-N 1 3 282.388 -0.416 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019811 420293086 /nfs/dbraw/zinc/29/30/86/420293086.db2.gz KBRNBIDAERYCPM-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656021706 420293890 /nfs/dbraw/zinc/29/38/90/420293890.db2.gz HFWZGZQFBSGFJG-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019813 420293908 /nfs/dbraw/zinc/29/39/08/420293908.db2.gz KBRNBIDAERYCPM-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028500 420295094 /nfs/dbraw/zinc/29/50/94/420295094.db2.gz LXEKPCQESZATBP-AGIUHOORSA-N 1 3 294.399 -0.321 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028506 420295465 /nfs/dbraw/zinc/29/54/65/420295465.db2.gz LXEKPCQESZATBP-XQQFMLRXSA-N 1 3 294.399 -0.321 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656281306 420303748 /nfs/dbraw/zinc/30/37/48/420303748.db2.gz BPDCMHKXTZWGNQ-BETUJISGSA-N 1 3 298.431 -0.099 20 0 CBADHO COC(=O)c1cn([C@H]2CCN(CCOCC[NH3+])C2)nn1 ZINC000517236740 420373810 /nfs/dbraw/zinc/37/38/10/420373810.db2.gz NKGVZLGNLPQLGU-JTQLQIEISA-N 1 3 283.332 -0.713 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517338035 420374120 /nfs/dbraw/zinc/37/41/20/420374120.db2.gz BEYFXGUMXGYHNI-KWCYVHTRSA-N 1 3 295.431 -0.328 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517247079 420375045 /nfs/dbraw/zinc/37/50/45/420375045.db2.gz GIGIPLJXGOBKOA-GHMZBOCLSA-N 1 3 268.361 -0.903 20 0 CBADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC1CNC1 ZINC000517541569 420377873 /nfs/dbraw/zinc/37/78/73/420377873.db2.gz ONUQVNFBEQCOMC-UHFFFAOYSA-N 1 3 296.415 -0.153 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517570250 420378500 /nfs/dbraw/zinc/37/85/00/420378500.db2.gz VMDXBBXMSPFEOF-SCVCMEIPSA-N 1 3 270.377 -0.800 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000519654804 420385472 /nfs/dbraw/zinc/38/54/72/420385472.db2.gz VWRQQBMAUMHLLX-NWDGAFQWSA-N 1 3 253.346 -0.282 20 0 CBADHO CC[NH+](CC)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659424382 420419029 /nfs/dbraw/zinc/41/90/29/420419029.db2.gz TVWLSRVBTLDLCH-UHFFFAOYSA-N 1 3 296.375 -0.218 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000659461153 420421422 /nfs/dbraw/zinc/42/14/22/420421422.db2.gz XFHRJMXYRRKUNF-QWHCGFSZSA-N 1 3 285.436 -0.223 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1 ZINC000677045266 544968645 /nfs/dbraw/zinc/96/86/45/544968645.db2.gz RTGYOZHUCIAKMY-LBPRGKRZSA-N 1 3 272.393 -0.090 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659356935 420413888 /nfs/dbraw/zinc/41/38/88/420413888.db2.gz AKYUHBWRUOQOCI-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659356933 420414382 /nfs/dbraw/zinc/41/43/82/420414382.db2.gz AKYUHBWRUOQOCI-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000659357974 420414404 /nfs/dbraw/zinc/41/44/04/420414404.db2.gz DYIMIMDXCCEPKR-LBPRGKRZSA-N 1 3 284.404 -0.537 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCC(=O)N1 ZINC000677539475 544977835 /nfs/dbraw/zinc/97/78/35/544977835.db2.gz YLSZJTKHTZBUOB-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[NH2+]CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659505124 420424304 /nfs/dbraw/zinc/42/43/04/420424304.db2.gz PPCPEVPIRDKCHO-UHFFFAOYSA-N 1 3 287.408 -0.743 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659567905 420434640 /nfs/dbraw/zinc/43/46/40/420434640.db2.gz GUFDGSSMRSPWOG-UONOGXRCSA-N 1 3 295.431 -0.230 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2([NH3+])CCCC2)n1 ZINC000659575970 420434857 /nfs/dbraw/zinc/43/48/57/420434857.db2.gz XAKNZUWTUHPZTA-UHFFFAOYSA-N 1 3 294.359 -0.288 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659550652 420432451 /nfs/dbraw/zinc/43/24/51/420432451.db2.gz RNPOWXUKCNAJIH-NSHDSACASA-N 1 3 287.408 -0.615 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000659752814 420468197 /nfs/dbraw/zinc/46/81/97/420468197.db2.gz NWEHQXSFGKNQQP-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO COCCN(CCN(C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659619034 420439177 /nfs/dbraw/zinc/43/91/77/420439177.db2.gz TUHPIGNBJYMAJN-UHFFFAOYSA-N 1 3 284.404 -0.042 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000659639052 420441638 /nfs/dbraw/zinc/44/16/38/420441638.db2.gz JINMSPMXOJKFJF-STQMWFEESA-N 1 3 285.436 -0.081 20 0 CBADHO CN(C)CCn1ccc(NC(=O)COC2CC[NH2+]CC2)n1 ZINC000565538563 420442634 /nfs/dbraw/zinc/44/26/34/420442634.db2.gz UIEWUNLLUWMIDB-UHFFFAOYSA-N 1 3 295.387 0.152 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000659648565 420442728 /nfs/dbraw/zinc/44/27/28/420442728.db2.gz TXLWTFYWAIXLCF-SNVBAGLBSA-N 1 3 258.366 -0.650 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000659642071 420443400 /nfs/dbraw/zinc/44/34/00/420443400.db2.gz JCANQHDGGBWKRW-NWDGAFQWSA-N 1 3 272.393 -0.260 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000659681256 420447652 /nfs/dbraw/zinc/44/76/52/420447652.db2.gz SCRZXPOPZZNZOZ-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659679562 420447871 /nfs/dbraw/zinc/44/78/71/420447871.db2.gz ZLLLFECZEJJACO-BVWOZKJXSA-N 1 3 294.399 -0.547 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659705227 420452710 /nfs/dbraw/zinc/45/27/10/420452710.db2.gz UIMXLXDZNPGVFP-LBPRGKRZSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659706131 420453289 /nfs/dbraw/zinc/45/32/89/420453289.db2.gz IOPCSRIKDFNWJI-UHFFFAOYSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N(C)C1CC1 ZINC000659701930 420453430 /nfs/dbraw/zinc/45/34/30/420453430.db2.gz KIKPGYBZHCNGJZ-NSHDSACASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000659711774 420454840 /nfs/dbraw/zinc/45/48/40/420454840.db2.gz ASJLCKVFPKCBEU-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711715 420455004 /nfs/dbraw/zinc/45/50/04/420455004.db2.gz CQCZFNUCKQCHMI-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659714004 420456416 /nfs/dbraw/zinc/45/64/16/420456416.db2.gz IOSXFXRJRBFAKY-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714710 420456643 /nfs/dbraw/zinc/45/66/43/420456643.db2.gz LWVAXLJAYJZFDQ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714708 420456720 /nfs/dbraw/zinc/45/67/20/420456720.db2.gz LWVAXLJAYJZFDQ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659718214 420458009 /nfs/dbraw/zinc/45/80/09/420458009.db2.gz MRXPAXKYQXUZLG-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000659717501 420458095 /nfs/dbraw/zinc/45/80/95/420458095.db2.gz HZTOQQIQGZDDGY-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659718397 420458304 /nfs/dbraw/zinc/45/83/04/420458304.db2.gz NXOQNEYGCGUHGT-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725710 420459852 /nfs/dbraw/zinc/45/98/52/420459852.db2.gz YKQJDPLLSKEZBD-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659726288 420460071 /nfs/dbraw/zinc/46/00/71/420460071.db2.gz IXKCTUYCXQEEAO-XQQFMLRXSA-N 1 3 294.399 -0.402 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000659724746 420460504 /nfs/dbraw/zinc/46/05/04/420460504.db2.gz QPQXXXVFQWANSS-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000659738159 420462761 /nfs/dbraw/zinc/46/27/61/420462761.db2.gz AUBZCPZFUVHQLZ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659738225 420463062 /nfs/dbraw/zinc/46/30/62/420463062.db2.gz BZJKEEPYVWTTQR-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659741943 420464925 /nfs/dbraw/zinc/46/49/25/420464925.db2.gz RIUFWWRQNKQYSZ-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380984 420489287 /nfs/dbraw/zinc/48/92/87/420489287.db2.gz IWHUWDQZVQQPAO-FRRDWIJNSA-N 1 3 262.394 -0.249 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380984 420489289 /nfs/dbraw/zinc/48/92/89/420489289.db2.gz IWHUWDQZVQQPAO-FRRDWIJNSA-N 1 3 262.394 -0.249 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000521646649 260198736 /nfs/dbraw/zinc/19/87/36/260198736.db2.gz WZZJOPWYBSIDBN-YFKTTZPYSA-N 1 3 280.372 -0.855 20 0 CBADHO NC(=O)NC(=O)CC[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000517935935 260321262 /nfs/dbraw/zinc/32/12/62/260321262.db2.gz IVFKHKAHDVGARS-SNVBAGLBSA-N 1 3 272.349 -0.992 20 0 CBADHO CC(C)[C@](C)(CN)[NH2+]CCC(=O)N1CCNCC1 ZINC000517937580 260321949 /nfs/dbraw/zinc/32/19/49/260321949.db2.gz YGIIMYWGYSMFKN-ZDUSSCGKSA-N 1 3 256.394 -0.229 20 0 CBADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N1CCNCC1 ZINC000517937580 260321951 /nfs/dbraw/zinc/32/19/51/260321951.db2.gz YGIIMYWGYSMFKN-ZDUSSCGKSA-N 1 3 256.394 -0.229 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@@]1(C)C[NH3+] ZINC000521434293 262336259 /nfs/dbraw/zinc/33/62/59/262336259.db2.gz NNXKRPAEJMWRLI-NTZNESFSSA-N 1 3 255.362 -0.192 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH+](C)C)CC1=O ZINC000080976247 269566012 /nfs/dbraw/zinc/56/60/12/269566012.db2.gz LLNQFSRIMQZDAA-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CCN(CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)C1CC1 ZINC000187945002 276348385 /nfs/dbraw/zinc/34/83/85/276348385.db2.gz ZBULFEGJUVIPSX-NWDGAFQWSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000420154819 276422147 /nfs/dbraw/zinc/42/21/47/276422147.db2.gz JLRLAMCNAYMEEJ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000432532625 276778369 /nfs/dbraw/zinc/77/83/69/276778369.db2.gz XVNSRKWZIMMUCS-QLFBSQMISA-N 1 3 291.395 -0.002 20 0 CBADHO C[N@H+](C[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562527 545081848 /nfs/dbraw/zinc/08/18/48/545081848.db2.gz RBBROGDYIKBNLC-XHSDSOJGSA-N 1 3 297.443 -0.028 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562527 545081849 /nfs/dbraw/zinc/08/18/49/545081849.db2.gz RBBROGDYIKBNLC-XHSDSOJGSA-N 1 3 297.443 -0.028 20 0 CBADHO CC(C)(N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430883271 277305918 /nfs/dbraw/zinc/30/59/18/277305918.db2.gz BZZNGTHBIYDFRM-JTQLQIEISA-N 1 3 270.377 -0.573 20 0 CBADHO CC(C)(N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430883271 277305920 /nfs/dbraw/zinc/30/59/20/277305920.db2.gz BZZNGTHBIYDFRM-JTQLQIEISA-N 1 3 270.377 -0.573 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419701227 277306750 /nfs/dbraw/zinc/30/67/50/277306750.db2.gz YVTOBNHJDAMOBI-NSHDSACASA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)([NH3+])CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418409891 277307399 /nfs/dbraw/zinc/30/73/99/277307399.db2.gz ATDUGXJZHYCRFL-NSHDSACASA-N 1 3 272.393 -0.130 20 0 CBADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037001341 278973789 /nfs/dbraw/zinc/97/37/89/278973789.db2.gz VHMRMAVFDGKQLB-SDDRHHMPSA-N 1 3 257.378 -0.198 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419732451 279105016 /nfs/dbraw/zinc/10/50/16/279105016.db2.gz MQUFARMWVMFZHA-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418936842 279114507 /nfs/dbraw/zinc/11/45/07/279114507.db2.gz KLGUYPVXWSPIMX-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418949233 279126908 /nfs/dbraw/zinc/12/69/08/279126908.db2.gz ROWUJABJMVPAKE-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884214 279331604 /nfs/dbraw/zinc/33/16/04/279331604.db2.gz FNCFBSOSMWKVCQ-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636198 279331691 /nfs/dbraw/zinc/33/16/91/279331691.db2.gz CGPNHEZAQJMJEI-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419998006 279875803 /nfs/dbraw/zinc/87/58/03/279875803.db2.gz MHKIXVSFCBIHMT-NEPJUHHUSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418734389 280165583 /nfs/dbraw/zinc/16/55/83/280165583.db2.gz RYVUTCLEKYWUCU-NEPJUHHUSA-N 1 3 272.393 -0.130 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529338 280272890 /nfs/dbraw/zinc/27/28/90/280272890.db2.gz BQWYLYHEVUFNDY-RYUDHWBXSA-N 1 3 254.378 -0.524 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376054437 280273239 /nfs/dbraw/zinc/27/32/39/280273239.db2.gz HFFLWIFYYXRNBY-RYUDHWBXSA-N 1 3 254.378 -0.524 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578856 288306959 /nfs/dbraw/zinc/30/69/59/288306959.db2.gz AMSGJANYSAUXOS-UPJWGTAASA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332187922 288307342 /nfs/dbraw/zinc/30/73/42/288307342.db2.gz TXXZLXDVFMRLKY-WOPDTQHZSA-N 1 3 280.372 -0.840 20 0 CBADHO C[NH+](C)C/C=C/C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000493320923 282018581 /nfs/dbraw/zinc/01/85/81/282018581.db2.gz MWWPFVOVKJTREB-XGACYXMMSA-N 1 3 267.373 -0.323 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC1 ZINC000419221029 282026869 /nfs/dbraw/zinc/02/68/69/282026869.db2.gz BTZAPRSXESFYPR-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CCO1 ZINC000491875073 289039746 /nfs/dbraw/zinc/03/97/46/289039746.db2.gz XYQUNMPVGFPZSE-FOQNGQEVSA-N 1 3 255.362 -0.107 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC1 ZINC000419249859 289043526 /nfs/dbraw/zinc/04/35/26/289043526.db2.gz ZPDRFWBOKIXEBY-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424136971 289068109 /nfs/dbraw/zinc/06/81/09/289068109.db2.gz BLHADFHFGRGRNL-NEPJUHHUSA-N 1 3 254.378 -0.524 20 0 CBADHO C[NH+](C)CC1(CNC(=O)C(=O)NCCN)CCCC1 ZINC000418818958 289086574 /nfs/dbraw/zinc/08/65/74/289086574.db2.gz JMXXGZDMKCNXPU-UHFFFAOYSA-N 1 3 270.377 -0.701 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351760181 289127551 /nfs/dbraw/zinc/12/75/51/289127551.db2.gz FJWMZCYOKZSRMR-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCOC1C[NH2+]C1 ZINC000423738816 289137091 /nfs/dbraw/zinc/13/70/91/289137091.db2.gz FETPUEWBCSXOQA-ZDUSSCGKSA-N 1 3 299.415 -0.066 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000423754830 289197433 /nfs/dbraw/zinc/19/74/33/289197433.db2.gz IRIFLYFVUHFDQT-GFCCVEGCSA-N 1 3 255.362 -0.225 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000165607705 289278679 /nfs/dbraw/zinc/27/86/79/289278679.db2.gz MKSDRAKMPOJQMT-NEPJUHHUSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000516316015 289290560 /nfs/dbraw/zinc/29/05/60/289290560.db2.gz YHSOBOAUIXWUOA-WDEREUQCSA-N 1 3 268.361 -0.983 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419138168 289297875 /nfs/dbraw/zinc/29/78/75/289297875.db2.gz QKGIIIWZDOZYGN-JHJVBQTASA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000091431357 289367495 /nfs/dbraw/zinc/36/74/95/289367495.db2.gz VWOUBGQBHPVGCI-LBPRGKRZSA-N 1 3 282.388 -0.639 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423716682 289539449 /nfs/dbraw/zinc/53/94/49/289539449.db2.gz IVTVVMHUWAXOKF-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CN1CCC(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000343654381 289870220 /nfs/dbraw/zinc/87/02/20/289870220.db2.gz JWJAQFCVSUDGHZ-CQSZACIVSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COC2CNC2)CC1 ZINC000261997675 290083791 /nfs/dbraw/zinc/08/37/91/290083791.db2.gz OLZVVNCNSKGLPS-LBPRGKRZSA-N 1 3 299.415 -0.474 20 0 CBADHO CN1CC[C@@]2(CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000418675992 290186645 /nfs/dbraw/zinc/18/66/45/290186645.db2.gz SDIMHSLBSGPMJP-OWTLIXCDSA-N 1 3 264.373 -0.059 20 0 CBADHO C[C@@H]1CN(CCOCCO)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343919653 297007754 /nfs/dbraw/zinc/00/77/54/297007754.db2.gz GYMFJOBZTQPKJL-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@@H]1C[N@H+](CCOCCO)CC[C@H]1N1CCN(C)CC1 ZINC000343919653 297007755 /nfs/dbraw/zinc/00/77/55/297007755.db2.gz GYMFJOBZTQPKJL-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@@H]1C[N@@H+](CCOCCO)CC[C@H]1N1CCN(C)CC1 ZINC000343919653 297007756 /nfs/dbraw/zinc/00/77/56/297007756.db2.gz GYMFJOBZTQPKJL-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333803417 295266605 /nfs/dbraw/zinc/26/66/05/295266605.db2.gz IFDUKSUSIGCELK-NEPJUHHUSA-N 1 3 282.388 -0.112 20 0 CBADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364726621 295270921 /nfs/dbraw/zinc/27/09/21/295270921.db2.gz ZKRCGXOPSUMFAQ-SCZZXKLOSA-N 1 3 263.345 -0.087 20 0 CBADHO NS(=O)(=O)[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000261648193 295286510 /nfs/dbraw/zinc/28/65/10/295286510.db2.gz ATUZSNMSACHPDO-NSHDSACASA-N 1 3 261.391 -0.261 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167411868 295498624 /nfs/dbraw/zinc/49/86/24/295498624.db2.gz ZRUQXKQDZXWATK-ZDUSSCGKSA-N 1 3 294.399 -0.495 20 0 CBADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CNCCO1 ZINC000333520548 297098405 /nfs/dbraw/zinc/09/84/05/297098405.db2.gz KOZOAHAAGIHZPW-FRRDWIJNSA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CNCCO1 ZINC000333520547 297098478 /nfs/dbraw/zinc/09/84/78/297098478.db2.gz KOZOAHAAGIHZPW-AGIUHOORSA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CNCCO1 ZINC000333520547 297098481 /nfs/dbraw/zinc/09/84/81/297098481.db2.gz KOZOAHAAGIHZPW-AGIUHOORSA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420005454 298417629 /nfs/dbraw/zinc/41/76/29/298417629.db2.gz PJFMBCKERPPLFB-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419126183 298538350 /nfs/dbraw/zinc/53/83/50/298538350.db2.gz VQZZHEWKXDGLAI-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N(C)C ZINC000433376688 298769492 /nfs/dbraw/zinc/76/94/92/298769492.db2.gz OKMODAQFVDZMLW-GHMZBOCLSA-N 1 3 280.376 -0.118 20 0 CBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCN1CCOCC1 ZINC000436055470 303372937 /nfs/dbraw/zinc/37/29/37/303372937.db2.gz BKDJHSNTGXUKFP-AWEZNQCLSA-N 1 3 298.431 -0.362 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000333556596 303797591 /nfs/dbraw/zinc/79/75/91/303797591.db2.gz KWKWJHDBDWSELC-SGMGOOAPSA-N 1 3 267.373 -0.129 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000570803446 327620279 /nfs/dbraw/zinc/62/02/79/327620279.db2.gz SSOYKEQRUDOODQ-NSHDSACASA-N 1 3 272.393 -0.471 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563116119 327925671 /nfs/dbraw/zinc/92/56/71/327925671.db2.gz ZIUDNWASYXTLMU-UWVGGRQHSA-N 1 3 279.344 -0.795 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000563100219 327924302 /nfs/dbraw/zinc/92/43/02/327924302.db2.gz XBOYOOSXFSLYHQ-RYUDHWBXSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000563116863 327926023 /nfs/dbraw/zinc/92/60/23/327926023.db2.gz OCGSPMKKASSAMZ-GRYCIOLGSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000563208895 327965113 /nfs/dbraw/zinc/96/51/13/327965113.db2.gz FGWYAZFDZRRFHI-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO Cc1nccn1CCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563444001 328067160 /nfs/dbraw/zinc/06/71/60/328067160.db2.gz ZYLIKEGNSQOBAZ-CHWSQXEVSA-N 1 3 277.372 -0.175 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563620810 328077635 /nfs/dbraw/zinc/07/76/35/328077635.db2.gz NEHRTVDCWJNEKH-WCQYABFASA-N 1 3 253.346 -0.423 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563620811 328077651 /nfs/dbraw/zinc/07/76/51/328077651.db2.gz NEHRTVDCWJNEKH-YPMHNXCESA-N 1 3 253.346 -0.423 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000563659703 328082340 /nfs/dbraw/zinc/08/23/40/328082340.db2.gz DNGOSLIRILYYRQ-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CC(=O)N1CCNCC1)CC1CC[NH2+]CC1 ZINC000571208842 328093271 /nfs/dbraw/zinc/09/32/71/328093271.db2.gz WGEOZYJOSGFBSX-UHFFFAOYSA-N 1 3 254.378 -0.650 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000571626416 328143045 /nfs/dbraw/zinc/14/30/45/328143045.db2.gz VUCFMVWXHZBAMP-QWHCGFSZSA-N 1 3 281.404 -0.620 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000557248953 326998498 /nfs/dbraw/zinc/99/84/98/326998498.db2.gz YHCWNFRQMJGFOZ-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000557279066 327000267 /nfs/dbraw/zinc/00/02/67/327000267.db2.gz JUHRKSVGIYYWJA-JTQLQIEISA-N 1 3 280.372 -0.793 20 0 CBADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565727106 327001103 /nfs/dbraw/zinc/00/11/03/327001103.db2.gz CLJALARKNDGZTK-RWMBFGLXSA-N 1 3 296.415 -0.232 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000564450291 327098088 /nfs/dbraw/zinc/09/80/88/327098088.db2.gz HCMNKUSUZYQDEG-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000564450270 327098102 /nfs/dbraw/zinc/09/81/02/327098102.db2.gz HCMNKUSUZYQDEG-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569342911 327099154 /nfs/dbraw/zinc/09/91/54/327099154.db2.gz NLBVQMYUYGZIJK-GHMZBOCLSA-N 1 3 270.377 -0.430 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000569344473 327102522 /nfs/dbraw/zinc/10/25/22/327102522.db2.gz NKEJSYXJZBKSRJ-JHEVNIALSA-N 1 3 267.373 -0.038 20 0 CBADHO CCN(C)CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000564918716 327146095 /nfs/dbraw/zinc/14/60/95/327146095.db2.gz RIWZFYOMHZSEON-UHFFFAOYSA-N 1 3 268.365 -0.302 20 0 CBADHO CN1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566171324 327155198 /nfs/dbraw/zinc/15/51/98/327155198.db2.gz LKVVEXWEGANGKQ-RYUDHWBXSA-N 1 3 292.387 -0.288 20 0 CBADHO CO[C@H](CN)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000566178606 327157735 /nfs/dbraw/zinc/15/77/35/327157735.db2.gz BDAVUKKBXKWZBO-VXGBXAGGSA-N 1 3 273.377 -0.831 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569456453 327179746 /nfs/dbraw/zinc/17/97/46/327179746.db2.gz ZJAXLECODBMGNK-WCQYABFASA-N 1 3 266.389 -0.367 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000569481232 327184044 /nfs/dbraw/zinc/18/40/44/327184044.db2.gz ARQMSACCSOIBMJ-NSHDSACASA-N 1 3 285.388 -0.028 20 0 CBADHO COC(=O)c1cn([C@H]2CCCN(CCOCC[NH3+])C2)nn1 ZINC000564656841 327198686 /nfs/dbraw/zinc/19/86/86/327198686.db2.gz OAXBQFKQOAQVRK-NSHDSACASA-N 1 3 297.359 -0.323 20 0 CBADHO C[C@H]1NCCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@H]1C ZINC000569606197 327209724 /nfs/dbraw/zinc/20/97/24/327209724.db2.gz AMHLXGBODLIFPT-MNOVXSKESA-N 1 3 280.376 -0.161 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)COC1CC[NH2+]CC1 ZINC000584293026 327223991 /nfs/dbraw/zinc/22/39/91/327223991.db2.gz SZLPDMDGDGPPSK-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CCN1CCC2(CC[NH2+]2)CC1)N1CCNCC1 ZINC000566244891 327257794 /nfs/dbraw/zinc/25/77/94/327257794.db2.gz LNFXROIBYHOMJT-UHFFFAOYSA-N 1 3 266.389 -0.364 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000566251260 327262235 /nfs/dbraw/zinc/26/22/35/327262235.db2.gz NUEMUKZDUDNMGE-APPZFPTMSA-N 1 3 298.309 -0.518 20 0 CBADHO CN(CC[NH3+])CC(=O)NC1CCN(C2CC2)CC1 ZINC000583384519 327336272 /nfs/dbraw/zinc/33/62/72/327336272.db2.gz WDCFKQOONRBDON-UHFFFAOYSA-N 1 3 254.378 -0.380 20 0 CBADHO NS(=O)(=O)[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000564988337 327340012 /nfs/dbraw/zinc/34/00/12/327340012.db2.gz DKLAZNUUMLDBMU-NSHDSACASA-N 1 3 261.391 -0.261 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CNC[C@@H]1CCCO1 ZINC000574564607 327349178 /nfs/dbraw/zinc/34/91/78/327349178.db2.gz HWVRXCUBLWQSCN-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564996346 327351468 /nfs/dbraw/zinc/35/14/68/327351468.db2.gz SCAABZLDWJBCRG-AGIUHOORSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569809892 327549665 /nfs/dbraw/zinc/54/96/65/327549665.db2.gz BFVFLFRMDFFICA-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569912953 327555500 /nfs/dbraw/zinc/55/55/00/327555500.db2.gz HWVRRXLCJCXACZ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@](C)(O)CN(C)C ZINC000572999145 327565637 /nfs/dbraw/zinc/56/56/37/327565637.db2.gz IAGZIZFIUSOTCG-UMNHJUIQSA-N 1 3 260.382 -0.276 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000570281165 327580967 /nfs/dbraw/zinc/58/09/67/327580967.db2.gz ZJRDGEDRJXXTAJ-DOMZBBRYSA-N 1 3 295.383 -0.036 20 0 CBADHO C[NH2+]CC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000582545260 329105039 /nfs/dbraw/zinc/10/50/39/329105039.db2.gz XKEMIZXTCPPGMA-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@@H](NCCn2cccn2)C1=O ZINC000582854069 329280657 /nfs/dbraw/zinc/28/06/57/329280657.db2.gz QHMOQZDXLNCTRR-GFCCVEGCSA-N 1 3 293.371 -0.448 20 0 CBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000583141777 329321348 /nfs/dbraw/zinc/32/13/48/329321348.db2.gz OTWZSLLKJDXKOQ-MCIONIFRSA-N 1 3 280.416 -0.040 20 0 CBADHO O=C(CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)NC1CC1 ZINC000583874932 329524027 /nfs/dbraw/zinc/52/40/27/329524027.db2.gz PXEZEMPXNHIOPJ-CYBMUJFWSA-N 1 3 280.416 -0.118 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000575803107 335116774 /nfs/dbraw/zinc/11/67/74/335116774.db2.gz DEUIRJUDYSBFCA-HNNXBMFYSA-N 1 3 280.416 -0.164 20 0 CBADHO CC1CCN(CCNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000575852683 335123526 /nfs/dbraw/zinc/12/35/26/335123526.db2.gz MCMNXSCNCZQQBG-AWEZNQCLSA-N 1 3 297.447 -0.079 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575921212 335131179 /nfs/dbraw/zinc/13/11/79/335131179.db2.gz LDWTYJKWHRPGAA-WOPDTQHZSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000576043153 335145005 /nfs/dbraw/zinc/14/50/05/335145005.db2.gz DNLJJQBAPRCJFG-UPJWGTAASA-N 1 3 268.405 -0.277 20 0 CBADHO CCCN(C(=O)C[C@@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000576225445 335173357 /nfs/dbraw/zinc/17/33/57/335173357.db2.gz MBUGDOALIIHENO-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CC[C@](C)(C(=O)NC)C1 ZINC000564341233 334141393 /nfs/dbraw/zinc/14/13/93/334141393.db2.gz AAYFKRKLEDECJO-AAEUAGOBSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(C(=O)NC)C1 ZINC000564341233 334141394 /nfs/dbraw/zinc/14/13/94/334141394.db2.gz AAYFKRKLEDECJO-AAEUAGOBSA-N 1 3 257.378 -0.243 20 0 CBADHO O=C(NC[C@H]1CNCCO1)C1CC[NH+](C2CC2)CC1 ZINC000564841461 334523345 /nfs/dbraw/zinc/52/33/45/334523345.db2.gz KHLHAUFLCHKUFK-CYBMUJFWSA-N 1 3 267.373 -0.035 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NCCNc1ccncc1 ZINC000564914938 334527891 /nfs/dbraw/zinc/52/78/91/334527891.db2.gz DVYXJIYSZJLJME-NSHDSACASA-N 1 3 252.318 -0.605 20 0 CBADHO C[C@@H](NC(=O)[C@@H](C)C[NH3+])C(=O)NCCN1CCCCC1 ZINC000564937810 334529400 /nfs/dbraw/zinc/52/94/00/334529400.db2.gz YYZZJTDFBWCFGR-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N(C)C ZINC000153004118 334538750 /nfs/dbraw/zinc/53/87/50/334538750.db2.gz CRHYOEOLDXLATC-UHFFFAOYSA-N 1 3 287.408 -0.791 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000565364875 334556649 /nfs/dbraw/zinc/55/66/49/334556649.db2.gz OJXQPKUYLUAQHM-MWGHHZFTSA-N 1 3 271.361 -0.230 20 0 CBADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000565419869 334561924 /nfs/dbraw/zinc/56/19/24/334561924.db2.gz IIEYEXMLYKRTIE-RISCZKNCSA-N 1 3 284.404 -0.183 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)CNC[C@@H]1CCCO1)C(F)F ZINC000565891038 334606693 /nfs/dbraw/zinc/60/66/93/334606693.db2.gz HHMIPCPPXOBQIJ-DTWKUNHWSA-N 1 3 265.304 -0.146 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)COC2CNC2)CC1 ZINC000566201063 334635391 /nfs/dbraw/zinc/63/53/91/334635391.db2.gz TZSLCOQACOUMQX-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000566203158 334635448 /nfs/dbraw/zinc/63/54/48/334635448.db2.gz VJCOXTOAFUGRPL-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO O=C(COC1CNC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567232251 334696225 /nfs/dbraw/zinc/69/62/25/334696225.db2.gz KHVPVBSDRUCFON-LBPRGKRZSA-N 1 3 267.373 -0.177 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CNCCC1(F)F ZINC000567845315 334767472 /nfs/dbraw/zinc/76/74/72/334767472.db2.gz SQVSXAVMMHNKJD-HTQZYQBOSA-N 1 3 251.277 -0.536 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CNCCC1(F)F ZINC000567845317 334767504 /nfs/dbraw/zinc/76/75/04/334767504.db2.gz SQVSXAVMMHNKJD-SFYZADRCSA-N 1 3 251.277 -0.536 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000567923070 334775964 /nfs/dbraw/zinc/77/59/64/334775964.db2.gz ZMMKZEWUYPKNPV-JTQLQIEISA-N 1 3 257.334 -0.475 20 0 CBADHO COCCN1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000568506066 334827678 /nfs/dbraw/zinc/82/76/78/334827678.db2.gz QTGFFPVNQQMFSO-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000568511997 334828039 /nfs/dbraw/zinc/82/80/39/334828039.db2.gz FVWICBWSWJWUHU-GARJFASQSA-N 1 3 271.361 -0.005 20 0 CBADHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CCC(=O)OC ZINC000568513260 334828233 /nfs/dbraw/zinc/82/82/33/334828233.db2.gz QQQAOSASSWHXEL-SECBINFHSA-N 1 3 259.350 -0.099 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@](C)(O)CN(C)C ZINC000572999144 334899564 /nfs/dbraw/zinc/89/95/64/334899564.db2.gz IAGZIZFIUSOTCG-NHCYSSNCSA-N 1 3 260.382 -0.276 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576359428 335194475 /nfs/dbraw/zinc/19/44/75/335194475.db2.gz AZUGUBBFICACJQ-FRRDWIJNSA-N 1 3 294.399 -0.369 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576359428 335194476 /nfs/dbraw/zinc/19/44/76/335194476.db2.gz AZUGUBBFICACJQ-FRRDWIJNSA-N 1 3 294.399 -0.369 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000576574364 335220206 /nfs/dbraw/zinc/22/02/06/335220206.db2.gz CMNPOKWMINEIMY-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000576574364 335220207 /nfs/dbraw/zinc/22/02/07/335220207.db2.gz CMNPOKWMINEIMY-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000576826874 335252928 /nfs/dbraw/zinc/25/29/28/335252928.db2.gz UYVMHOFSEUMBHC-MDZLAQPJSA-N 1 3 282.388 -0.846 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992347 335275027 /nfs/dbraw/zinc/27/50/27/335275027.db2.gz JXKANTCHGAVKTQ-YUTCNCBUSA-N 1 3 272.389 -0.181 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992347 335275028 /nfs/dbraw/zinc/27/50/28/335275028.db2.gz JXKANTCHGAVKTQ-YUTCNCBUSA-N 1 3 272.389 -0.181 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580556437 335279961 /nfs/dbraw/zinc/27/99/61/335279961.db2.gz QIOLKOVPQCRMIF-TXEJJXNPSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577200723 335321756 /nfs/dbraw/zinc/32/17/56/335321756.db2.gz WDDYFTFHNCFWIR-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000577489237 335355225 /nfs/dbraw/zinc/35/52/25/335355225.db2.gz QVTAEKNCQORZAS-GARJFASQSA-N 1 3 257.382 -0.604 20 0 CBADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577530750 335365833 /nfs/dbraw/zinc/36/58/33/335365833.db2.gz NVBZGQYHTLILFR-IJLUTSLNSA-N 1 3 296.415 -0.219 20 0 CBADHO [NH3+]CC[C@H](NC(=O)C[C@H]1CNCCO1)C(F)(F)F ZINC000577728721 335393230 /nfs/dbraw/zinc/39/32/30/335393230.db2.gz PHZCCZZPKYGTOU-YUMQZZPRSA-N 1 3 269.267 -0.239 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)N(C)C ZINC000577728572 335393410 /nfs/dbraw/zinc/39/34/10/335393410.db2.gz KDYANOODRMLTGM-NSHDSACASA-N 1 3 257.378 -0.115 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000577866511 335414511 /nfs/dbraw/zinc/41/45/11/335414511.db2.gz SCONUDHTTGCLET-ZDUSSCGKSA-N 1 3 287.404 -0.081 20 0 CBADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579252866 335728257 /nfs/dbraw/zinc/72/82/57/335728257.db2.gz GOEKERHVEMNNAA-YFCNSXCBSA-N 1 3 294.399 -0.336 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000579837486 335902250 /nfs/dbraw/zinc/90/22/50/335902250.db2.gz FNOWHRBIGLXMLE-UWVGGRQHSA-N 1 3 258.366 -0.752 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000581241205 336029540 /nfs/dbraw/zinc/02/95/40/336029540.db2.gz NZNDKLWZFBQDKN-FRRDWIJNSA-N 1 3 283.420 -0.212 20 0 CBADHO CS(=O)(=O)NCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581608497 336111729 /nfs/dbraw/zinc/11/17/29/336111729.db2.gz OWBSSZHIMQGYAL-NWDGAFQWSA-N 1 3 275.418 -0.143 20 0 CBADHO CS(=O)(=O)NCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581608499 336111741 /nfs/dbraw/zinc/11/17/41/336111741.db2.gz OWBSSZHIMQGYAL-VXGBXAGGSA-N 1 3 275.418 -0.143 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1CN ZINC000581716181 336136013 /nfs/dbraw/zinc/13/60/13/336136013.db2.gz QLPIIHATHHECPK-NEPJUHHUSA-N 1 3 271.409 -0.212 20 0 CBADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998024 336187739 /nfs/dbraw/zinc/18/77/39/336187739.db2.gz PLJUPRHRPXTCTR-HOTGVXAUSA-N 1 3 298.475 -0.084 20 0 CBADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000581998024 336187740 /nfs/dbraw/zinc/18/77/40/336187740.db2.gz PLJUPRHRPXTCTR-HOTGVXAUSA-N 1 3 298.475 -0.084 20 0 CBADHO CCN1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354678680 529050719 /nfs/dbraw/zinc/05/07/19/529050719.db2.gz PYEHDIAFMDQLPJ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000300072191 582130308 /nfs/dbraw/zinc/13/03/08/582130308.db2.gz KSPAEKJXLRDOKD-SDDRHHMPSA-N 1 3 271.361 -0.670 20 0 CBADHO CNC(=O)[C@@]1(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797525454 582413735 /nfs/dbraw/zinc/41/37/35/582413735.db2.gz MXWHMTAICZMQMM-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000801525941 582424564 /nfs/dbraw/zinc/42/45/64/582424564.db2.gz STOMOMUFFWYBSD-ZDUSSCGKSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000801525941 582424565 /nfs/dbraw/zinc/42/45/65/582424565.db2.gz STOMOMUFFWYBSD-ZDUSSCGKSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000801525940 582424573 /nfs/dbraw/zinc/42/45/73/582424573.db2.gz STOMOMUFFWYBSD-CYBMUJFWSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000801525940 582424574 /nfs/dbraw/zinc/42/45/74/582424574.db2.gz STOMOMUFFWYBSD-CYBMUJFWSA-N 1 3 268.405 -0.214 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815439631 582465599 /nfs/dbraw/zinc/46/55/99/582465599.db2.gz YTOWIKKLDMJJHB-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO C[NH+]1CCC(N2CC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC000819054229 582525594 /nfs/dbraw/zinc/52/55/94/582525594.db2.gz OVMVBECNBKFJTN-GFCCVEGCSA-N 1 3 289.445 -0.211 20 0 CBADHO C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000821348945 582600075 /nfs/dbraw/zinc/60/00/75/582600075.db2.gz JDXVJDGQDMOZMS-UHFFFAOYSA-N 1 3 269.389 -0.003 20 0 CBADHO C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000821348945 582600077 /nfs/dbraw/zinc/60/00/77/582600077.db2.gz JDXVJDGQDMOZMS-UHFFFAOYSA-N 1 3 269.389 -0.003 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716118 582896038 /nfs/dbraw/zinc/89/60/38/582896038.db2.gz VQESVUOEVMMDIB-ZFWWWQNUSA-N 1 3 298.406 -0.074 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000830392157 582932136 /nfs/dbraw/zinc/93/21/36/582932136.db2.gz YYBOLGCQHWEDRC-DTWKUNHWSA-N 1 3 261.347 -0.607 20 0 CBADHO [NH3+]CCCCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000831197788 582966526 /nfs/dbraw/zinc/96/65/26/582966526.db2.gz UKIKEBIMBFHMSE-NSHDSACASA-N 1 3 258.366 -0.207 20 0 CBADHO CCO[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000831737118 582999807 /nfs/dbraw/zinc/99/98/07/582999807.db2.gz CPYCBASAEAFCAE-KBPBESRZSA-N 1 3 298.431 -0.541 20 0 CBADHO [NH3+]CCOCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000834765047 583135735 /nfs/dbraw/zinc/13/57/35/583135735.db2.gz PZCUEPWHDGFQOQ-ZDUSSCGKSA-N 1 3 263.341 -0.035 20 0 CBADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1[nH]nc2c1CNCC2 ZINC000834845734 583137282 /nfs/dbraw/zinc/13/72/82/583137282.db2.gz GFAFYZZJHMVSJV-VIFPVBQESA-N 1 3 285.298 -0.218 20 0 CBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000834860945 583138070 /nfs/dbraw/zinc/13/80/70/583138070.db2.gz GGSAWCNUKYFPQD-BDAKNGLRSA-N 1 3 263.345 -0.087 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841790194 583174103 /nfs/dbraw/zinc/17/41/03/583174103.db2.gz AJDYWQUGAHQDSK-OLZOCXBDSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841790824 583174408 /nfs/dbraw/zinc/17/44/08/583174408.db2.gz KSGOXHPYIKRGJG-XQQFMLRXSA-N 1 3 282.388 -0.099 20 0 CBADHO COC[C@@]1(CNC(=O)[C@@]2(F)CCNC2)CCC[NH2+]1 ZINC000841851430 583175376 /nfs/dbraw/zinc/17/53/76/583175376.db2.gz QBONKVVVIUSAIA-NWDGAFQWSA-N 1 3 259.325 -0.427 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCCCC1 ZINC000842016196 583177992 /nfs/dbraw/zinc/17/79/92/583177992.db2.gz RWDRVORWWIFUSX-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015772 583178059 /nfs/dbraw/zinc/17/80/59/583178059.db2.gz NGELPEYJIYWZRM-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCCCC1 ZINC000842015245 583178255 /nfs/dbraw/zinc/17/82/55/583178255.db2.gz JFVMYUZPNLQUPS-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000843484693 583226747 /nfs/dbraw/zinc/22/67/47/583226747.db2.gz QVDAYQJDNMAMNH-UWVGGRQHSA-N 1 3 277.315 -0.132 20 0 CBADHO COCCN(CC[NH+](C)C)C(=O)c1[nH]nc2c1CNCC2 ZINC000843489246 583227915 /nfs/dbraw/zinc/22/79/15/583227915.db2.gz KAPNRWBNPXWONV-UHFFFAOYSA-N 1 3 295.387 -0.294 20 0 CBADHO CN1CCC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844174688 583256818 /nfs/dbraw/zinc/25/68/18/583256818.db2.gz AMTNIZCJSMDNGK-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844174878 583257246 /nfs/dbraw/zinc/25/72/46/583257246.db2.gz HBLKCPZDLDESBX-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CCNCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000844181326 583258366 /nfs/dbraw/zinc/25/83/66/583258366.db2.gz COLUZHLCHLDNLP-LLVKDONJSA-N 1 3 270.377 -0.701 20 0 CBADHO CCNCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000844181326 583258367 /nfs/dbraw/zinc/25/83/67/583258367.db2.gz COLUZHLCHLDNLP-LLVKDONJSA-N 1 3 270.377 -0.701 20 0 CBADHO COC1CCN(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844189412 583259830 /nfs/dbraw/zinc/25/98/30/583259830.db2.gz MTXCFXJUAXEFBH-CQSZACIVSA-N 1 3 299.415 -0.018 20 0 CBADHO O=C(N[C@H]1CNCCC1(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679051 583383235 /nfs/dbraw/zinc/38/32/35/583383235.db2.gz RTDQSFWYVCTIAF-QXEWZRGKSA-N 1 3 275.299 -0.664 20 0 CBADHO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848605194 583451797 /nfs/dbraw/zinc/45/17/97/583451797.db2.gz KIXVFYYLJCYBGV-OLZOCXBDSA-N 1 3 284.404 -0.034 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848614797 583452768 /nfs/dbraw/zinc/45/27/68/583452768.db2.gz XPQLARDNMVUCMF-SRVKXCTJSA-N 1 3 282.388 -0.417 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848616411 583453254 /nfs/dbraw/zinc/45/32/54/583453254.db2.gz MGZDBLJRZGDTRB-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCN1C ZINC000849008013 583467303 /nfs/dbraw/zinc/46/73/03/583467303.db2.gz LRJZGMOZWLQRMF-KGLIPLIRSA-N 1 3 296.463 -0.170 20 0 CBADHO CN1CCN(CCNC(=[NH2+])N2CCOCC2)CC1(C)C ZINC000849026661 583469178 /nfs/dbraw/zinc/46/91/78/583469178.db2.gz MPZDUXJKXHMHKM-UHFFFAOYSA-N 1 3 283.420 -0.131 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NCC(N)=O ZINC000849276217 583475808 /nfs/dbraw/zinc/47/58/08/583475808.db2.gz CMGBJLNKTPDVMX-JTQLQIEISA-N 1 3 289.449 -0.792 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NCC(N)=O ZINC000849276217 583475809 /nfs/dbraw/zinc/47/58/09/583475809.db2.gz CMGBJLNKTPDVMX-JTQLQIEISA-N 1 3 289.449 -0.792 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851692221 583522456 /nfs/dbraw/zinc/52/24/56/583522456.db2.gz XWCNTEHIOCGBBF-UPJWGTAASA-N 1 3 294.399 -0.593 20 0 CBADHO CCCN(C(=O)C1=NO[C@@H](CN)C1)[C@H]1CC[NH2+]C1 ZINC000852796745 583552945 /nfs/dbraw/zinc/55/29/45/583552945.db2.gz WZEDJQZTMXIAMJ-VHSXEESVSA-N 1 3 254.334 -0.310 20 0 CBADHO C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)[C@H]1C[NH3+] ZINC000852798183 583553293 /nfs/dbraw/zinc/55/32/93/583553293.db2.gz HIJOMHOUSOWYEQ-KKZNHRDASA-N 1 3 254.334 -0.324 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852799793 583553312 /nfs/dbraw/zinc/55/33/12/583553312.db2.gz XDCLXXSIFQRIGK-NXEZZACHSA-N 1 3 256.350 -0.078 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852798964 583553364 /nfs/dbraw/zinc/55/33/64/583553364.db2.gz PNKMXYXTXUOHEW-GUBZILKMSA-N 1 3 254.334 -0.324 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])=NO1 ZINC000852797720 583553374 /nfs/dbraw/zinc/55/33/74/583553374.db2.gz ACDGPZJOQRMDGW-GUBZILKMSA-N 1 3 254.334 -0.276 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852855267 583561592 /nfs/dbraw/zinc/56/15/92/583561592.db2.gz XWVBWZHVNCTUOH-VIFPVBQESA-N 1 3 256.350 -0.206 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852860374 583562457 /nfs/dbraw/zinc/56/24/57/583562457.db2.gz DBSFIXQWGFJVBR-MWLCHTKSSA-N 1 3 254.334 -0.454 20 0 CBADHO NC[C@H]1CC(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860810 583562526 /nfs/dbraw/zinc/56/25/26/583562526.db2.gz VIPZMWOWCWOIDQ-MWLCHTKSSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@H]1CC(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860810 583562528 /nfs/dbraw/zinc/56/25/28/583562528.db2.gz VIPZMWOWCWOIDQ-MWLCHTKSSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)=NO1 ZINC000852860607 583562645 /nfs/dbraw/zinc/56/26/45/583562645.db2.gz SRGWYTPRRDLZSY-UMNHJUIQSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)=NO1 ZINC000852860607 583562647 /nfs/dbraw/zinc/56/26/47/583562647.db2.gz SRGWYTPRRDLZSY-UMNHJUIQSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864764 583563691 /nfs/dbraw/zinc/56/36/91/583563691.db2.gz HLYGIPJBVFJHOB-MNOVXSKESA-N 1 3 266.345 -0.213 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852864692 583563738 /nfs/dbraw/zinc/56/37/38/583563738.db2.gz FCQABKSCWWKLNR-NXEZZACHSA-N 1 3 256.350 -0.064 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852864692 583563741 /nfs/dbraw/zinc/56/37/41/583563741.db2.gz FCQABKSCWWKLNR-NXEZZACHSA-N 1 3 256.350 -0.064 20 0 CBADHO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000852865416 583563993 /nfs/dbraw/zinc/56/39/93/583563993.db2.gz BVAVKELATLHRIE-MNOVXSKESA-N 1 3 266.345 -0.215 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870546 583564883 /nfs/dbraw/zinc/56/48/83/583564883.db2.gz VQSKBMJETDQGPO-WDEREUQCSA-N 1 3 268.361 -0.110 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870546 583564885 /nfs/dbraw/zinc/56/48/85/583564885.db2.gz VQSKBMJETDQGPO-WDEREUQCSA-N 1 3 268.361 -0.110 20 0 CBADHO COC1CCN(CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852870245 583564932 /nfs/dbraw/zinc/56/49/32/583564932.db2.gz QLVMZRPTFTVZAD-NSHDSACASA-N 1 3 284.360 -0.683 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852872239 583565137 /nfs/dbraw/zinc/56/51/37/583565137.db2.gz JPNHLMQVCPYKNE-MNOVXSKESA-N 1 3 286.376 -0.437 20 0 CBADHO NC[C@H]1CC(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)=NO1 ZINC000852873918 583565540 /nfs/dbraw/zinc/56/55/40/583565540.db2.gz DMKMFWXXYYWDDS-MWLCHTKSSA-N 1 3 289.339 -0.060 20 0 CBADHO C[C@]1(CNC(=O)C2=NO[C@@H](CN)C2)CCC[NH2+]C1 ZINC000852875625 583565733 /nfs/dbraw/zinc/56/57/33/583565733.db2.gz LPUGNCOYTGCYDU-SKDRFNHKSA-N 1 3 254.334 -0.404 20 0 CBADHO NC[C@H]1CC(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)=NO1 ZINC000852873987 583565784 /nfs/dbraw/zinc/56/57/84/583565784.db2.gz IMFORMHOWXMBOH-VHSXEESVSA-N 1 3 252.318 -0.557 20 0 CBADHO NC[C@@H]1CC(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)=NO1 ZINC000852873989 583565893 /nfs/dbraw/zinc/56/58/93/583565893.db2.gz IMFORMHOWXMBOH-ZJUUUORDSA-N 1 3 252.318 -0.557 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880600 583566747 /nfs/dbraw/zinc/56/67/47/583566747.db2.gz NVIJTQZBYGPQCJ-NEPJUHHUSA-N 1 3 280.372 -0.062 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCCC[C@H]2CC[NH3+])=NO1 ZINC000852881688 583567000 /nfs/dbraw/zinc/56/70/00/583567000.db2.gz ZOOQMARDQBJXJB-UWVGGRQHSA-N 1 3 254.334 -0.180 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881724 583567022 /nfs/dbraw/zinc/56/70/22/583567022.db2.gz OLXMTQQSJFDKHG-WPRPVWTQSA-N 1 3 252.318 -0.652 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881722 583567089 /nfs/dbraw/zinc/56/70/89/583567089.db2.gz OLXMTQQSJFDKHG-SCZZXKLOSA-N 1 3 252.318 -0.652 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H](CC[NH3+])C(F)F)=NO1 ZINC000852882016 583567107 /nfs/dbraw/zinc/56/71/07/583567107.db2.gz VRWMIJACRLZGFD-RITPCOANSA-N 1 3 250.249 -0.811 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852882248 583567501 /nfs/dbraw/zinc/56/75/01/583567501.db2.gz AZIKXVGIVOECTI-WCBMZHEXSA-N 1 3 254.334 -0.406 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)N2CCN3CCC2CC3)=NO1 ZINC000852884809 583568438 /nfs/dbraw/zinc/56/84/38/583568438.db2.gz KXVXUZPDFPGNDP-JTQLQIEISA-N 1 3 252.318 -0.603 20 0 CBADHO C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)[C@H](C[NH3+])C1 ZINC000852912514 583573873 /nfs/dbraw/zinc/57/38/73/583573873.db2.gz SFAUPXQBNHCWEJ-KXUCPTDWSA-N 1 3 254.334 -0.324 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852924827 583575230 /nfs/dbraw/zinc/57/52/30/583575230.db2.gz UZSMXECLAWSIQD-NWDGAFQWSA-N 1 3 298.387 -0.341 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861573129 583771356 /nfs/dbraw/zinc/77/13/56/583771356.db2.gz BENFFTURIZGBHI-TUAOUCFPSA-N 1 3 270.377 -0.162 20 0 CBADHO [NH3+]C1(CNC(=O)N[C@H]2CNCCC2(F)F)CCOCC1 ZINC000861646929 583775183 /nfs/dbraw/zinc/77/51/83/583775183.db2.gz WQNQQLRSSBGFGY-VIFPVBQESA-N 1 3 292.330 -0.209 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861647048 583775529 /nfs/dbraw/zinc/77/55/29/583775529.db2.gz ZKCATNMSHGRJJE-UWVGGRQHSA-N 1 3 292.330 -0.651 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861647047 583775550 /nfs/dbraw/zinc/77/55/50/583775550.db2.gz ZKCATNMSHGRJJE-NXEZZACHSA-N 1 3 292.330 -0.651 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000861728995 583781627 /nfs/dbraw/zinc/78/16/27/583781627.db2.gz NLPQRWXBUVOHHP-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744720 583783257 /nfs/dbraw/zinc/78/32/57/583783257.db2.gz ODCRIKAPOCVNPL-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861763203 583785118 /nfs/dbraw/zinc/78/51/18/583785118.db2.gz LXLDNYQPSCWSSZ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000861784273 583786374 /nfs/dbraw/zinc/78/63/74/583786374.db2.gz WAIZPJNOLRMBCM-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000861784272 583786385 /nfs/dbraw/zinc/78/63/85/583786385.db2.gz WAIZPJNOLRMBCM-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000861784274 583786433 /nfs/dbraw/zinc/78/64/33/583786433.db2.gz WAIZPJNOLRMBCM-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861786714 583786556 /nfs/dbraw/zinc/78/65/56/583786556.db2.gz OSRARINWWITZBA-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000863755419 583853276 /nfs/dbraw/zinc/85/32/76/583853276.db2.gz PFRGSBBOJLHOLP-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863765725 583854959 /nfs/dbraw/zinc/85/49/59/583854959.db2.gz SXDYZUCJUJNHSI-NSHDSACASA-N 1 3 272.393 -0.409 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)O1 ZINC000865177322 583899692 /nfs/dbraw/zinc/89/96/92/583899692.db2.gz FGOCZRZPKMFOGS-LLVKDONJSA-N 1 3 271.361 -0.356 20 0 CBADHO CN(C)CCN(C)C(=O)C(F)C(=O)N(C)CC[NH+](C)C ZINC000866312135 583920041 /nfs/dbraw/zinc/92/00/41/583920041.db2.gz ZHAYOFIIVVGAOO-UHFFFAOYSA-N 1 3 290.383 -0.636 20 0 CBADHO Cn1nnnc1CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000866661399 583926242 /nfs/dbraw/zinc/92/62/42/583926242.db2.gz QFIKGPYJUSCNME-HBNTYKKESA-N 1 3 250.350 -0.188 20 0 CBADHO Cn1nnnc1CCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866665983 583926515 /nfs/dbraw/zinc/92/65/15/583926515.db2.gz JVSKXQYCCWTVCW-GXTWGEPZSA-N 1 3 294.403 -0.029 20 0 CBADHO Cn1nnnc1CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000866667861 583926550 /nfs/dbraw/zinc/92/65/50/583926550.db2.gz AGHLDDZWGUKCOV-CYBMUJFWSA-N 1 3 294.403 -0.157 20 0 CBADHO COC[C@@H](CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711045 583928025 /nfs/dbraw/zinc/92/80/25/583928025.db2.gz AOAPJIFRUFRUSB-LOWDOPEQSA-N 1 3 299.371 -0.485 20 0 CBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000866708167 583928064 /nfs/dbraw/zinc/92/80/64/583928064.db2.gz DCDWEKNLFHJSSB-MROQNXINSA-N 1 3 281.356 -0.110 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)C(F)C(=O)N[C@@H](C)C[NH+](C)C ZINC000868339350 583975196 /nfs/dbraw/zinc/97/51/96/583975196.db2.gz XFQBKJGLFZHTOB-UWVGGRQHSA-N 1 3 290.383 -0.543 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390993 583977072 /nfs/dbraw/zinc/97/70/72/583977072.db2.gz RLNWYNRRZCWTOR-UTUOFQBUSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390993 583977073 /nfs/dbraw/zinc/97/70/73/583977073.db2.gz RLNWYNRRZCWTOR-UTUOFQBUSA-N 1 3 282.388 -0.655 20 0 CBADHO COCCNCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939403 584022255 /nfs/dbraw/zinc/02/22/55/584022255.db2.gz RWWCCFMRLUTSHI-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999809 584024700 /nfs/dbraw/zinc/02/47/00/584024700.db2.gz PXFTUSPCAYTMNP-WISYIIOYSA-N 1 3 296.371 -0.637 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(CCC(=O)N1CCNCC1)C2 ZINC000872154084 584048118 /nfs/dbraw/zinc/04/81/18/584048118.db2.gz LTKVXCFRUKPXDJ-GXTWGEPZSA-N 1 3 266.389 -0.650 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000873229423 584068964 /nfs/dbraw/zinc/06/89/64/584068964.db2.gz YITNBSXUZAUDRD-VNHYZAJKSA-N 1 3 280.416 -0.275 20 0 CBADHO CC(C)C[C@H](N)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220355 584068985 /nfs/dbraw/zinc/06/89/85/584068985.db2.gz SXUCCLIUDCLXGI-GARJFASQSA-N 1 3 253.346 -0.094 20 0 CBADHO CC(C)C[C@H](N)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220355 584068987 /nfs/dbraw/zinc/06/89/87/584068987.db2.gz SXUCCLIUDCLXGI-GARJFASQSA-N 1 3 253.346 -0.094 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000873267227 584069833 /nfs/dbraw/zinc/06/98/33/584069833.db2.gz YFOYUUDTDYKGSE-IPYPFGDCSA-N 1 3 297.399 -0.408 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000873267159 584069864 /nfs/dbraw/zinc/06/98/64/584069864.db2.gz WXVYJSNZJWCCCG-KCQAQPDRSA-N 1 3 297.399 -0.279 20 0 CBADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267159 584069865 /nfs/dbraw/zinc/06/98/65/584069865.db2.gz WXVYJSNZJWCCCG-KCQAQPDRSA-N 1 3 297.399 -0.279 20 0 CBADHO CC[NH+]1CCN(CCNC(=O)CN2CCCC2)CC1 ZINC000874466530 584085721 /nfs/dbraw/zinc/08/57/21/584085721.db2.gz AWKFKCHRALMRMS-UHFFFAOYSA-N 1 3 268.405 -0.164 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876506374 584129966 /nfs/dbraw/zinc/12/99/66/584129966.db2.gz IQQKMGUOVGTRIE-NEPJUHHUSA-N 1 3 280.372 -0.300 20 0 CBADHO CN1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@H](CN)C1 ZINC000876542013 584132541 /nfs/dbraw/zinc/13/25/41/584132541.db2.gz JFNCPVQYIKIWLJ-BZPMIXESSA-N 1 3 266.389 -0.380 20 0 CBADHO [NH3+]C[C@]1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCOC1 ZINC000876743773 584142011 /nfs/dbraw/zinc/14/20/11/584142011.db2.gz IMKIHGQROBSONG-KCQAQPDRSA-N 1 3 297.399 -0.279 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876780528 584144208 /nfs/dbraw/zinc/14/42/08/584144208.db2.gz HBTSMZJNDKXDGL-QWRGUYRKSA-N 1 3 290.358 -0.420 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000876787555 584144622 /nfs/dbraw/zinc/14/46/22/584144622.db2.gz VEVJMRDMNABVMQ-FRRDWIJNSA-N 1 3 268.405 -0.134 20 0 CBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNCCOC ZINC000876792886 584145255 /nfs/dbraw/zinc/14/52/55/584145255.db2.gz XRSFGVPIVKVPRJ-OPVGQWETSA-N 1 3 255.362 -0.250 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854608 584150148 /nfs/dbraw/zinc/15/01/48/584150148.db2.gz UJKJXRQCLCDHRW-OLZOCXBDSA-N 1 3 268.405 -0.277 20 0 CBADHO [NH3+]C[C@@]1(C(=O)N[C@H]2CNCCC2(F)F)CCCOC1 ZINC000876866344 584150996 /nfs/dbraw/zinc/15/09/96/584150996.db2.gz RSXTWMDKYYVDAU-ONGXEEELSA-N 1 3 277.315 -0.145 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1CNCCC1(F)F ZINC000876866992 584151058 /nfs/dbraw/zinc/15/10/58/584151058.db2.gz ZRCPBZPTRCKJLA-SECBINFHSA-N 1 3 262.304 -0.995 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000876885255 584153268 /nfs/dbraw/zinc/15/32/68/584153268.db2.gz 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ZINC000877151213 584168194 /nfs/dbraw/zinc/16/81/94/584168194.db2.gz IEAPWPVVAWDCMC-GARJFASQSA-N 1 3 255.362 -0.003 20 0 CBADHO COC[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCCN1 ZINC000877244395 584171966 /nfs/dbraw/zinc/17/19/66/584171966.db2.gz BKPSMRVTRGEJQH-NQBHXWOUSA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250626 584172718 /nfs/dbraw/zinc/17/27/18/584172718.db2.gz QYSOXRZCVICPAW-DYEKYZERSA-N 1 3 296.415 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250626 584172719 /nfs/dbraw/zinc/17/27/19/584172719.db2.gz QYSOXRZCVICPAW-DYEKYZERSA-N 1 3 296.415 -0.362 20 0 CBADHO COCCC1(NC(=O)C[C@H]2CNCCO2)CC[NH2+]CC1 ZINC000877266162 584173855 /nfs/dbraw/zinc/17/38/55/584173855.db2.gz AHYAUQAUGLHAPU-LBPRGKRZSA-N 1 3 285.388 -0.360 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)=NO1 ZINC000877264866 584173938 /nfs/dbraw/zinc/17/39/38/584173938.db2.gz AYFNTQVSPMJULR-NHCYSSNCSA-N 1 3 266.345 -0.310 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877273254 584175161 /nfs/dbraw/zinc/17/51/61/584175161.db2.gz NKPGJZSBZZWAMO-NEPJUHHUSA-N 1 3 252.362 -0.756 20 0 CBADHO CN[C@@H](C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329113 584178659 /nfs/dbraw/zinc/17/86/59/584178659.db2.gz RAGPJBGMXASNDL-WDEREUQCSA-N 1 3 255.362 -0.131 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335709 584179038 /nfs/dbraw/zinc/17/90/38/584179038.db2.gz DQZGVDCRPPTRLN-STQMWFEESA-N 1 3 297.399 -0.360 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450824 584182405 /nfs/dbraw/zinc/18/24/05/584182405.db2.gz GDUALWWLFOFSFZ-XPCVCDNBSA-N 1 3 279.384 -0.083 20 0 CBADHO CN1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982540 584189719 /nfs/dbraw/zinc/18/97/19/584189719.db2.gz WNGKVBFETFKRHD-TXEJJXNPSA-N 1 3 266.389 -0.652 20 0 CBADHO C[C@]12CN(C[C@H](O)C[NH+]3CCCC3)C[C@@]1(C)C(=O)NC2=O ZINC000879158775 584228802 /nfs/dbraw/zinc/22/88/02/584228802.db2.gz XYMIGOJLEQIXIK-DFBGVHRSSA-N 1 3 295.383 -0.572 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423683 584341728 /nfs/dbraw/zinc/34/17/28/584341728.db2.gz RMXRKLYKRKLALV-KBPBESRZSA-N 1 3 298.406 -0.074 20 0 CBADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCn2cnnn2)CC1 ZINC000883431798 584341946 /nfs/dbraw/zinc/34/19/46/584341946.db2.gz DNWQEGOHSIIMSN-CHWSQXEVSA-N 1 3 280.376 -0.109 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCn3cnnn3)C2)C1 ZINC000883434726 584342351 /nfs/dbraw/zinc/34/23/51/584342351.db2.gz ZMFCTHUOAMFCOY-XQQFMLRXSA-N 1 3 280.376 -0.109 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884008957 584355355 /nfs/dbraw/zinc/35/53/55/584355355.db2.gz HAWUALDDYZPEIV-ZDUSSCGKSA-N 1 3 289.383 -0.075 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H](C[NH3+])OC ZINC000884011334 584355424 /nfs/dbraw/zinc/35/54/24/584355424.db2.gz ZWBTZBUKSQLJLC-JQWIXIFHSA-N 1 3 267.329 -0.215 20 0 CBADHO CC[NH2+]CCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884023814 584356193 /nfs/dbraw/zinc/35/61/93/584356193.db2.gz YODVSXUHQDMKII-UHFFFAOYSA-N 1 3 277.372 -0.170 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884213162 584367597 /nfs/dbraw/zinc/36/75/97/584367597.db2.gz UXZBEYMQQDAZKQ-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213162 584367598 /nfs/dbraw/zinc/36/75/98/584367598.db2.gz UXZBEYMQQDAZKQ-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884296568 584372513 /nfs/dbraw/zinc/37/25/13/584372513.db2.gz ARFNDESYVZTUIP-GFCCVEGCSA-N 1 3 277.372 -0.042 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000884316177 584373624 /nfs/dbraw/zinc/37/36/24/584373624.db2.gz LOUMVFYLQIESON-UTUOFQBUSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000884316177 584373626 /nfs/dbraw/zinc/37/36/26/584373626.db2.gz 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ZINC000884576191 584388843 /nfs/dbraw/zinc/38/88/43/584388843.db2.gz BNJJEEWICBSHKQ-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000884601527 584389714 /nfs/dbraw/zinc/38/97/14/584389714.db2.gz NYNHXTGTZMNQIR-MNOVXSKESA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(C)C1CC1 ZINC000884616783 584391218 /nfs/dbraw/zinc/39/12/18/584391218.db2.gz BRWFWNGAWYQFGT-NHCYSSNCSA-N 1 3 280.372 -0.842 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670272 584394075 /nfs/dbraw/zinc/39/40/75/584394075.db2.gz UJIWPUCHGMWWNV-JHJVBQTASA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670272 584394076 /nfs/dbraw/zinc/39/40/76/584394076.db2.gz UJIWPUCHGMWWNV-JHJVBQTASA-N 1 3 294.399 -0.321 20 0 CBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000884692839 584397823 /nfs/dbraw/zinc/39/78/23/584397823.db2.gz APBRIWWJKUNYFK-UHFFFAOYSA-N 1 3 294.399 -0.449 20 0 CBADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000884728695 584400994 /nfs/dbraw/zinc/40/09/94/584400994.db2.gz YGRRCADOOIBYLD-WXRRBKDZSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885196135 584409671 /nfs/dbraw/zinc/40/96/71/584409671.db2.gz TYPWMIMCOOZLLT-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CCO)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000886968576 584452692 /nfs/dbraw/zinc/45/26/92/584452692.db2.gz IWXXXFYHGBLTMC-SSDOTTSWSA-N 1 3 272.271 -0.901 20 0 CBADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000887084895 584462784 /nfs/dbraw/zinc/46/27/84/584462784.db2.gz SHPHTPURTUKTHH-CYBMUJFWSA-N 1 3 296.415 -0.264 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891514651 584583597 /nfs/dbraw/zinc/58/35/97/584583597.db2.gz WDVKOUHNKADCON-FRRDWIJNSA-N 1 3 282.388 -0.018 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513949 584583625 /nfs/dbraw/zinc/58/36/25/584583625.db2.gz KHPDEANIMLUKMJ-XQHKEYJVSA-N 1 3 282.388 -0.114 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891514720 584583634 /nfs/dbraw/zinc/58/36/34/584583634.db2.gz YEBXPKLSAJFCBO-YVECIDJPSA-N 1 3 282.388 -0.019 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891536738 584584410 /nfs/dbraw/zinc/58/44/10/584584410.db2.gz GTHGECNTHRXEBL-AVGNSLFASA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CCN(C)CC1 ZINC000891604059 584587805 /nfs/dbraw/zinc/58/78/05/584587805.db2.gz VPOQODCVCPGIIV-IHRRRGAJSA-N 1 3 295.431 -0.374 20 0 CBADHO COCCNCCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892051722 584601611 /nfs/dbraw/zinc/60/16/11/584601611.db2.gz WUELXHVLTYUYES-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000892051722 584601612 /nfs/dbraw/zinc/60/16/12/584601612.db2.gz WUELXHVLTYUYES-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892140978 584605889 /nfs/dbraw/zinc/60/58/89/584605889.db2.gz GIEOHUNKTKKGPZ-DCAQKATOSA-N 1 3 272.393 -0.134 20 0 CBADHO O=C(N[C@H]1CNCCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892157152 584606319 /nfs/dbraw/zinc/60/63/19/584606319.db2.gz PJYNUYIDBLBXLU-CIUDSAMLSA-N 1 3 260.288 -0.261 20 0 CBADHO [NH3+]CC1(NC(=O)NC[C@@H]2CNCCO2)CCCCC1 ZINC000892181798 584607707 /nfs/dbraw/zinc/60/77/07/584607707.db2.gz VHMIYKOJUHVORU-NSHDSACASA-N 1 3 270.377 -0.064 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CNCCO3)CC[C@@H]21 ZINC000892181830 584608014 /nfs/dbraw/zinc/60/80/14/584608014.db2.gz VYBQNEGMFJJKGG-UPJWGTAASA-N 1 3 282.388 -0.290 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CNCCO3)CC[C@@H]21 ZINC000892181830 584608016 /nfs/dbraw/zinc/60/80/16/584608016.db2.gz VYBQNEGMFJJKGG-UPJWGTAASA-N 1 3 282.388 -0.290 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000892551451 584618414 /nfs/dbraw/zinc/61/84/14/584618414.db2.gz ILSVZSKOLLAGHL-FRRDWIJNSA-N 1 3 284.404 -0.130 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573170 584619478 /nfs/dbraw/zinc/61/94/78/584619478.db2.gz XXNJRLMOWBHMGC-XYPYZODXSA-N 1 3 258.366 -0.663 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892574636 584619547 /nfs/dbraw/zinc/61/95/47/584619547.db2.gz WCIBOQGQUXHAQO-CKYFFXLPSA-N 1 3 258.366 -0.665 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000892686875 584622620 /nfs/dbraw/zinc/62/26/20/584622620.db2.gz DZBMVKSPOUIUFX-OLZOCXBDSA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000892686875 584622624 /nfs/dbraw/zinc/62/26/24/584622624.db2.gz DZBMVKSPOUIUFX-OLZOCXBDSA-N 1 3 284.404 -0.090 20 0 CBADHO CN1C[C@H]2CCN(C(=O)NCCOCC[NH+](C)C)[C@H]2C1 ZINC000894366649 584656726 /nfs/dbraw/zinc/65/67/26/584656726.db2.gz MVQCWXXZNLCBRK-OLZOCXBDSA-N 1 3 284.404 -0.090 20 0 CBADHO C[C@H]1[C@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@@H+]1C ZINC000896617783 584704078 /nfs/dbraw/zinc/70/40/78/584704078.db2.gz KADYEDBESCXMMB-UONOGXRCSA-N 1 3 297.447 -0.032 20 0 CBADHO C[C@H]1[C@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@H+]1C ZINC000896617783 584704079 /nfs/dbraw/zinc/70/40/79/584704079.db2.gz KADYEDBESCXMMB-UONOGXRCSA-N 1 3 297.447 -0.032 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NCCC[NH+](C)C)C1 ZINC000899919786 584784941 /nfs/dbraw/zinc/78/49/41/584784941.db2.gz FVQTZCYBVWMERC-ZDUSSCGKSA-N 1 3 257.378 -0.099 20 0 CBADHO CN1CCC[C@@](O)(CC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000901184257 584853960 /nfs/dbraw/zinc/85/39/60/584853960.db2.gz CLRRFUCZIOVZPC-UONOGXRCSA-N 1 3 287.404 -0.738 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903453107 584890593 /nfs/dbraw/zinc/89/05/93/584890593.db2.gz ZMNJYKBZVFNYEN-WOPDTQHZSA-N 1 3 255.362 -0.321 20 0 CBADHO CCNC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492934 584891702 /nfs/dbraw/zinc/89/17/02/584891702.db2.gz LYVCAQSMRSWYMA-CWSCBRNRSA-N 1 3 269.345 -0.665 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H]1CCOC1=O)C2 ZINC000903492311 584891713 /nfs/dbraw/zinc/89/17/13/584891713.db2.gz AQGNJJDIJYHZKO-WTBMIXGQSA-N 1 3 268.313 -0.486 20 0 CBADHO [NH3+][C@@H]1CN(C[C@H]2CNCCO2)C[C@H]1C(F)(F)F ZINC000903512932 584892179 /nfs/dbraw/zinc/89/21/79/584892179.db2.gz KOTLTDZBGWWSSQ-IWSPIJDZSA-N 1 3 253.268 -0.204 20 0 CBADHO CNC(=O)CCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728412 584896174 /nfs/dbraw/zinc/89/61/74/584896174.db2.gz AQIKHKVYIVJQPJ-DGCLKSJQSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903731495 584896458 /nfs/dbraw/zinc/89/64/58/584896458.db2.gz HULQOWAWNDMNCL-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903747008 584896979 /nfs/dbraw/zinc/89/69/79/584896979.db2.gz NKPOKMPNHAHQJV-KGLIPLIRSA-N 1 3 293.415 -0.177 20 0 CBADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746310 584897000 /nfs/dbraw/zinc/89/70/00/584897000.db2.gz 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/nfs/dbraw/zinc/90/23/02/584902302.db2.gz AFLWDPSBWHSTRQ-UKRRQHHQSA-N 1 3 280.416 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[C@@]32CN)CC1 ZINC000903856589 584902304 /nfs/dbraw/zinc/90/23/04/584902304.db2.gz AFLWDPSBWHSTRQ-UKRRQHHQSA-N 1 3 280.416 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[C@@]32CN)CC1 ZINC000903856589 584902305 /nfs/dbraw/zinc/90/23/05/584902305.db2.gz AFLWDPSBWHSTRQ-UKRRQHHQSA-N 1 3 280.416 -0.036 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903915894 584904605 /nfs/dbraw/zinc/90/46/05/584904605.db2.gz DFCVKLXZLMZDGI-IUCAKERBSA-N 1 3 265.304 -0.194 20 0 CBADHO F[C@@H]1CN[C@H](CNCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903918830 584904760 /nfs/dbraw/zinc/90/47/60/584904760.db2.gz JBQVYGFLSQHMOU-SRVKXCTJSA-N 1 3 282.367 -0.008 20 0 CBADHO CC(C)(C(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC000969564359 614293021 /nfs/dbraw/zinc/29/30/21/614293021.db2.gz SEWQZSHTMJADBS-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC000970384956 614323870 /nfs/dbraw/zinc/32/38/70/614323870.db2.gz JPCRBOJRFSQZFN-CYBMUJFWSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961284359 615440390 /nfs/dbraw/zinc/44/03/90/615440390.db2.gz TTYAAEUDFPKJBY-CCTQGRIMSA-N 1 3 291.395 -0.084 20 0 CBADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961284359 615440392 /nfs/dbraw/zinc/44/03/92/615440392.db2.gz TTYAAEUDFPKJBY-CCTQGRIMSA-N 1 3 291.395 -0.084 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000969077272 615602762 /nfs/dbraw/zinc/60/27/62/615602762.db2.gz ODLZMICSSPVUSO-CHWSQXEVSA-N 1 3 294.403 -0.191 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969626249 616183326 /nfs/dbraw/zinc/18/33/26/616183326.db2.gz GRWWAVIIZKDJGD-UPJWGTAASA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969595030 616192303 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COCCN1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590955 616457988 /nfs/dbraw/zinc/45/79/88/616457988.db2.gz DCXVTVAKLHQFGL-OLZOCXBDSA-N 1 3 297.399 -0.863 20 0 CBADHO CC[NH+]1CCC(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702419489 656180923 /nfs/dbraw/zinc/18/09/23/656180923.db2.gz GZOJBCSGGFCYRW-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)N1CCNCC1 ZINC000923675647 658394167 /nfs/dbraw/zinc/39/41/67/658394167.db2.gz YDWNNOJNLPRLQF-UHFFFAOYSA-N 1 3 290.433 -0.270 20 0 CBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCOCCO ZINC000922108518 657996433 /nfs/dbraw/zinc/99/64/33/657996433.db2.gz JTNIMDAZNAMRKG-UHFFFAOYSA-N 1 3 285.388 -0.861 20 0 CBADHO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)C1CNC1 ZINC000923674631 658395652 /nfs/dbraw/zinc/39/56/52/658395652.db2.gz SLBFFELMMDDATA-ZETCQYMHSA-N 1 3 269.317 -0.878 20 0 CBADHO CN(C)CC(=O)N1CC[C@H](CCNC(=O)C[NH+](C)C)C1 ZINC000923149200 658163391 /nfs/dbraw/zinc/16/33/91/658163391.db2.gz DWSVCPXPNSCDIB-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)CC(=O)NCC[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000923149200 658163400 /nfs/dbraw/zinc/16/34/00/658163400.db2.gz DWSVCPXPNSCDIB-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CC[C@H](O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378256 658245313 /nfs/dbraw/zinc/24/53/13/658245313.db2.gz TVHSRMOIEJOWSL-MJBXVCDLSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1CN(CCS(=O)(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000923488405 658304346 /nfs/dbraw/zinc/30/43/46/658304346.db2.gz FLMRTBXMZROAJU-QWRGUYRKSA-N 1 3 263.407 -0.206 20 0 CBADHO O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCNCC1 ZINC000923680915 658398156 /nfs/dbraw/zinc/39/81/56/658398156.db2.gz VARILUCYCGWIGR-VXGBXAGGSA-N 1 3 288.417 -0.742 20 0 CBADHO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923622238 658359043 /nfs/dbraw/zinc/35/90/43/658359043.db2.gz WDTHBTPGMLOQJO-NSHDSACASA-N 1 3 275.418 -0.048 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623204 658359297 /nfs/dbraw/zinc/35/92/97/658359297.db2.gz YCFUWRCREGPNRV-SNVBAGLBSA-N 1 3 261.391 -0.438 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623204 658359314 /nfs/dbraw/zinc/35/93/14/658359314.db2.gz YCFUWRCREGPNRV-SNVBAGLBSA-N 1 3 261.391 -0.438 20 0 CBADHO [NH3+]C[C@@H](NS(=O)(=O)N1CCNCC1)C1CCCC1 ZINC000923637641 658369183 /nfs/dbraw/zinc/36/91/83/658369183.db2.gz RMPMVXAIOPIQRI-LLVKDONJSA-N 1 3 276.406 -0.757 20 0 CBADHO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923641876 658371713 /nfs/dbraw/zinc/37/17/13/658371713.db2.gz PWFXBUNSEYUENT-SECBINFHSA-N 1 3 264.395 -0.901 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923640834 658371871 /nfs/dbraw/zinc/37/18/71/658371871.db2.gz HUNAEPPSQBCEGR-JTQLQIEISA-N 1 3 276.406 -0.886 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC000923655042 658381140 /nfs/dbraw/zinc/38/11/40/658381140.db2.gz LGAHJUKQKPBURH-PHIMTYICSA-N 1 3 276.406 -0.934 20 0 CBADHO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)C1CNC1 ZINC000923656209 658381350 /nfs/dbraw/zinc/38/13/50/658381350.db2.gz UHCLRMHSDZBRIV-UHFFFAOYSA-N 1 3 259.375 -0.509 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]21 ZINC000923665645 658387103 /nfs/dbraw/zinc/38/71/03/658387103.db2.gz GABJLEDRGDTIFJ-ONGXEEELSA-N 1 3 259.375 -0.686 20 0 CBADHO C[N@H+]1CC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]21 ZINC000923665645 658387117 /nfs/dbraw/zinc/38/71/17/658387117.db2.gz GABJLEDRGDTIFJ-ONGXEEELSA-N 1 3 259.375 -0.686 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(CC[N@H+](C)C2CC2)C1=O ZINC000924523649 658610108 /nfs/dbraw/zinc/61/01/08/658610108.db2.gz DYHRXUZBXCHUQM-JTQLQIEISA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(CC[N@@H+](C)C2CC2)C1=O ZINC000924523649 658610132 /nfs/dbraw/zinc/61/01/32/658610132.db2.gz DYHRXUZBXCHUQM-JTQLQIEISA-N 1 3 254.334 -0.437 20 0 CBADHO CN(CCO)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000925002485 658743554 /nfs/dbraw/zinc/74/35/54/658743554.db2.gz KVOZVMNWTIGZBE-UHFFFAOYSA-N 1 3 269.389 -0.097 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2C1 ZINC000931435394 659465955 /nfs/dbraw/zinc/46/59/55/659465955.db2.gz AFZLUPGMAVJPMG-NEPJUHHUSA-N 1 3 252.362 -0.105 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2C1 ZINC000931435394 659465973 /nfs/dbraw/zinc/46/59/73/659465973.db2.gz AFZLUPGMAVJPMG-NEPJUHHUSA-N 1 3 252.362 -0.105 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NC1CC1 ZINC000066246634 656036354 /nfs/dbraw/zinc/03/63/54/656036354.db2.gz XYOCRRJPRTZXQX-GFCCVEGCSA-N 1 3 281.404 -0.004 20 0 CBADHO CN(C)[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000091393177 656057365 /nfs/dbraw/zinc/05/73/65/656057365.db2.gz IYTHVMVMXGZDMR-NSHDSACASA-N 1 3 276.406 -0.838 20 0 CBADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000091668053 656058874 /nfs/dbraw/zinc/05/88/74/656058874.db2.gz YGXYLVYDNANMPE-RWMBFGLXSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122305240 656066474 /nfs/dbraw/zinc/06/64/74/656066474.db2.gz MFZNCADMCQOQMV-VXGBXAGGSA-N 1 3 255.362 -0.238 20 0 CBADHO C[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167410265 656081268 /nfs/dbraw/zinc/08/12/68/656081268.db2.gz PJSSIDCAGCIGIA-LLVKDONJSA-N 1 3 268.361 -0.900 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC1=O ZINC000179085870 656089985 /nfs/dbraw/zinc/08/99/85/656089985.db2.gz KFEVLSVVUUJQHM-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000225446238 656106663 /nfs/dbraw/zinc/10/66/63/656106663.db2.gz AIJARCWTQUZDEO-DTWKUNHWSA-N 1 3 283.294 -0.304 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000237161873 656116329 /nfs/dbraw/zinc/11/63/29/656116329.db2.gz YCZKRIVMQSJNHW-PNESKVBLSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN)CC1 ZINC000237606420 656117138 /nfs/dbraw/zinc/11/71/38/656117138.db2.gz OCTXOWJSOJKMPR-BETUJISGSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN)CC1 ZINC000237606420 656117140 /nfs/dbraw/zinc/11/71/40/656117140.db2.gz OCTXOWJSOJKMPR-BETUJISGSA-N 1 3 268.405 -0.038 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000261602796 656125111 /nfs/dbraw/zinc/12/51/11/656125111.db2.gz QNUBYWUDULDECB-JTQLQIEISA-N 1 3 268.361 -0.094 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000702421351 656180485 /nfs/dbraw/zinc/18/04/85/656180485.db2.gz OGMMMIGQRIWVDT-PWSUYJOCSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000702421351 656180487 /nfs/dbraw/zinc/18/04/87/656180487.db2.gz OGMMMIGQRIWVDT-PWSUYJOCSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000702422899 656180614 /nfs/dbraw/zinc/18/06/14/656180614.db2.gz UQEFJKQHUIPZOO-NEPJUHHUSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000702422903 656180690 /nfs/dbraw/zinc/18/06/90/656180690.db2.gz UQEFJKQHUIPZOO-RYUDHWBXSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000702417777 656180780 /nfs/dbraw/zinc/18/07/80/656180780.db2.gz OFBATDBPEQXVSR-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702427205 656181637 /nfs/dbraw/zinc/18/16/37/656181637.db2.gz FHEWPSFFLIYPNF-RYUDHWBXSA-N 1 3 256.394 -0.182 20 0 CBADHO CN1C[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702469886 656181656 /nfs/dbraw/zinc/18/16/56/656181656.db2.gz IZWCSUPNEJNXDO-AGIUHOORSA-N 1 3 287.429 -0.048 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1(F)F ZINC000715094849 656218691 /nfs/dbraw/zinc/21/86/91/656218691.db2.gz PFLNIGNLIJXKGM-GWOFURMSSA-N 1 3 289.326 -0.194 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715579874 656220245 /nfs/dbraw/zinc/22/02/45/656220245.db2.gz RPFXPEGQROWMEQ-SRVKXCTJSA-N 1 3 256.394 -0.136 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)c1c(CN)cnn1C ZINC000719256313 656234721 /nfs/dbraw/zinc/23/47/21/656234721.db2.gz LKMALLPFWOVBIZ-VIFPVBQESA-N 1 3 253.350 -0.051 20 0 CBADHO CC[NH+](CC)CCNC(=O)c1c(CN)cnn1C ZINC000719255891 656234779 /nfs/dbraw/zinc/23/47/79/656234779.db2.gz IFOFRNWWTGAXAX-UHFFFAOYSA-N 1 3 253.350 -0.050 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@H]1CNCCO1)C2 ZINC000877379064 656246285 /nfs/dbraw/zinc/24/62/85/656246285.db2.gz CKEDEOBTUJUBKL-DMDPSCGWSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892439267 656271574 /nfs/dbraw/zinc/27/15/74/656271574.db2.gz MHZXZICIAOUBJP-OBJOEFQTSA-N 1 3 284.404 -0.130 20 0 CBADHO CC[N@H+](CCC(=O)NC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000904470639 656328588 /nfs/dbraw/zinc/32/85/88/656328588.db2.gz ZYKUTFKFTDBQSH-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CC[N@@H+](CCC(=O)NC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000904470639 656328591 /nfs/dbraw/zinc/32/85/91/656328591.db2.gz ZYKUTFKFTDBQSH-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO COCC[N@H+](C)CCCNC[C@@H](O)C1(O)CCC1 ZINC000905036306 656335512 /nfs/dbraw/zinc/33/55/12/656335512.db2.gz QYQSQBYWJJKUGV-GFCCVEGCSA-N 1 3 260.378 -0.180 20 0 CBADHO COCC[N@@H+](C)CCCNC[C@@H](O)C1(O)CCC1 ZINC000905036306 656335513 /nfs/dbraw/zinc/33/55/13/656335513.db2.gz QYQSQBYWJJKUGV-GFCCVEGCSA-N 1 3 260.378 -0.180 20 0 CBADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000905081573 656337155 /nfs/dbraw/zinc/33/71/55/656337155.db2.gz IGSKDKHIRLGVEL-OLZOCXBDSA-N 1 3 299.415 -0.561 20 0 CBADHO O[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)CN1CCCC1 ZINC000905344595 656351266 /nfs/dbraw/zinc/35/12/66/656351266.db2.gz KHDGRHYWYJRUGL-RYUDHWBXSA-N 1 3 258.362 -0.691 20 0 CBADHO C[NH+](C)C[C@H](O)CNC[C@H](O)CC1(CO)CCCC1 ZINC000905345528 656351427 /nfs/dbraw/zinc/35/14/27/656351427.db2.gz NLSQVERHYSUXKD-CHWSQXEVSA-N 1 3 274.405 -0.198 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905355108 656352694 /nfs/dbraw/zinc/35/26/94/656352694.db2.gz SFQWQYOJOOKJAQ-NWDGAFQWSA-N 1 3 260.378 -0.540 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N2CCNC(C)(C)C2)C1 ZINC000906895022 656405785 /nfs/dbraw/zinc/40/57/85/656405785.db2.gz GNHDHXJTZATISZ-UHFFFAOYSA-N 1 3 268.405 -0.310 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCNC(C)(C)C2)C1 ZINC000906895022 656405788 /nfs/dbraw/zinc/40/57/88/656405788.db2.gz GNHDHXJTZATISZ-UHFFFAOYSA-N 1 3 268.405 -0.310 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302082 656407642 /nfs/dbraw/zinc/40/76/42/656407642.db2.gz VZHKZFDLYIOUEA-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679111 656451405 /nfs/dbraw/zinc/45/14/05/656451405.db2.gz PXWQTQWEJCNNHI-MFKMUULPSA-N 1 3 296.415 -0.219 20 0 CBADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997005577 656463532 /nfs/dbraw/zinc/46/35/32/656463532.db2.gz ISFSKNFEMOVUOV-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000999362657 656625626 /nfs/dbraw/zinc/62/56/26/656625626.db2.gz CMCAJNXFYIGMAK-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH+]1CCC(O[N-]C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000908029504 656627993 /nfs/dbraw/zinc/62/79/93/656627993.db2.gz LWGFVAUWMXPQJS-AWEZNQCLSA-N 1 3 285.388 -0.025 20 0 CBADHO C[NH+]1CCC(O[N-]C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000908029504 656627996 /nfs/dbraw/zinc/62/79/96/656627996.db2.gz LWGFVAUWMXPQJS-AWEZNQCLSA-N 1 3 285.388 -0.025 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+](C)C ZINC001000105734 656691169 /nfs/dbraw/zinc/69/11/69/656691169.db2.gz RRTRBOZRJUZMDK-WCQYABFASA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000314424 656710422 /nfs/dbraw/zinc/71/04/22/656710422.db2.gz WOJBCGXENUJGMA-GHMZBOCLSA-N 1 3 266.345 -0.086 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000687716 656759333 /nfs/dbraw/zinc/75/93/33/656759333.db2.gz HMPKOMLQPDHLNQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000687716 656759335 /nfs/dbraw/zinc/75/93/35/656759335.db2.gz HMPKOMLQPDHLNQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627992 656866308 /nfs/dbraw/zinc/86/63/08/656866308.db2.gz LIDCSXSNWUBWOL-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911211266 656986864 /nfs/dbraw/zinc/98/68/64/656986864.db2.gz UHCGRWIIIJWTOD-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911270232 657005505 /nfs/dbraw/zinc/00/55/05/657005505.db2.gz JLOVBVMRNGWXOZ-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000911270835 657005601 /nfs/dbraw/zinc/00/56/01/657005601.db2.gz RXQHMFHMRUUMAU-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000911274691 657006369 /nfs/dbraw/zinc/00/63/69/657006369.db2.gz QPAHWUREPRQWMV-LBPRGKRZSA-N 1 3 296.415 -0.312 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488431 657055555 /nfs/dbraw/zinc/05/55/55/657055555.db2.gz ZFQAHNRLICILDR-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504534 657058775 /nfs/dbraw/zinc/05/87/75/657058775.db2.gz KSMOKGFXHMVBML-SNVBAGLBSA-N 1 3 268.361 -0.806 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911505610 657059480 /nfs/dbraw/zinc/05/94/80/657059480.db2.gz GCYAQRHLCNPORI-UHFFFAOYSA-N 1 3 282.388 -0.558 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506824 657060565 /nfs/dbraw/zinc/06/05/65/657060565.db2.gz ROIFPFIZSJHITN-JTQLQIEISA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911531989 657070194 /nfs/dbraw/zinc/07/01/94/657070194.db2.gz IFUMAPWVMICVJQ-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911547545 657074811 /nfs/dbraw/zinc/07/48/11/657074811.db2.gz WJAYZMIFXJSJSO-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563826 657079755 /nfs/dbraw/zinc/07/97/55/657079755.db2.gz STPGXKKVSUZDRY-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911667760 657099967 /nfs/dbraw/zinc/09/99/67/657099967.db2.gz SBBCRPVBMUKDNB-NVBFEUDRSA-N 1 3 293.367 -0.076 20 0 CBADHO CN1CCNC[C@@H]1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760431 657124121 /nfs/dbraw/zinc/12/41/21/657124121.db2.gz BCHXCASFEXYUEU-CYBMUJFWSA-N 1 3 278.356 -0.134 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H](C)N1 ZINC000911793915 657131582 /nfs/dbraw/zinc/13/15/82/657131582.db2.gz DUISPJIUAFNCRY-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819757 657140162 /nfs/dbraw/zinc/14/01/62/657140162.db2.gz PZNLRPRJHCPMIB-CHWSQXEVSA-N 1 3 268.405 -0.086 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000911861028 657148034 /nfs/dbraw/zinc/14/80/34/657148034.db2.gz AWOAQDBWGHTGOF-ZDUSSCGKSA-N 1 3 268.405 -0.262 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000913171311 657391720 /nfs/dbraw/zinc/39/17/20/657391720.db2.gz JHGUZFLGPWLRST-TZMCWYRMSA-N 1 3 285.388 -0.984 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000913171311 657391723 /nfs/dbraw/zinc/39/17/23/657391723.db2.gz JHGUZFLGPWLRST-TZMCWYRMSA-N 1 3 285.388 -0.984 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018838392 657849601 /nfs/dbraw/zinc/84/96/01/657849601.db2.gz ZEDGALVAFFQQRI-RYUDHWBXSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018838392 657849604 /nfs/dbraw/zinc/84/96/04/657849604.db2.gz ZEDGALVAFFQQRI-RYUDHWBXSA-N 1 3 282.388 -0.465 20 0 CBADHO C[NH+](C)[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)C1CC1 ZINC001018966763 657855934 /nfs/dbraw/zinc/85/59/34/657855934.db2.gz ROSRRQJIMZXUEX-CMPLNLGQSA-N 1 3 268.361 -0.998 20 0 CBADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)C1CC1 ZINC001018967552 657855994 /nfs/dbraw/zinc/85/59/94/657855994.db2.gz FUGDDFZGCBWXSG-RYUDHWBXSA-N 1 3 255.362 -0.491 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001018971881 657856160 /nfs/dbraw/zinc/85/61/60/657856160.db2.gz YKEVJMFWOZWUTC-QWRGUYRKSA-N 1 3 282.388 -0.465 20 0 CBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019560334 657912896 /nfs/dbraw/zinc/91/28/96/657912896.db2.gz AZHMGRPHFCBPIN-ZDUSSCGKSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019652452 657927243 /nfs/dbraw/zinc/92/72/43/657927243.db2.gz MPJISPSOPRDEFT-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019652452 657927247 /nfs/dbraw/zinc/92/72/47/657927247.db2.gz MPJISPSOPRDEFT-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019820293 657948587 /nfs/dbraw/zinc/94/85/87/657948587.db2.gz DSSSJUXUEHRUHE-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019820293 657948594 /nfs/dbraw/zinc/94/85/94/657948594.db2.gz DSSSJUXUEHRUHE-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001019816183 657949644 /nfs/dbraw/zinc/94/96/44/657949644.db2.gz UGBDIRPFFNTMAH-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001019816184 657949694 /nfs/dbraw/zinc/94/96/94/657949694.db2.gz UGBDIRPFFNTMAH-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588871 658075687 /nfs/dbraw/zinc/07/56/87/658075687.db2.gz OZQFXYJTPGIYSB-FDYHWXHSSA-N 1 3 269.389 -0.054 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001020590100 658076093 /nfs/dbraw/zinc/07/60/93/658076093.db2.gz MBXMKESTYLXVPD-FDYHWXHSSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001020590102 658076787 /nfs/dbraw/zinc/07/67/87/658076787.db2.gz MBXMKESTYLXVPD-ZDEQEGDKSA-N 1 3 296.415 -0.171 20 0 CBADHO [NH3+]C[C@@H]1CCN(C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923282502 658188009 /nfs/dbraw/zinc/18/80/09/658188009.db2.gz UXVFFVFHWVKPDB-YNEHKIRRSA-N 1 3 258.362 -0.177 20 0 CBADHO NC[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923291619 658195834 /nfs/dbraw/zinc/19/58/34/658195834.db2.gz DRVRNLICTDMSKX-YNEHKIRRSA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923291619 658195848 /nfs/dbraw/zinc/19/58/48/658195848.db2.gz DRVRNLICTDMSKX-YNEHKIRRSA-N 1 3 258.362 -0.034 20 0 CBADHO CCN(CC)CC(=O)N1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923323759 658211012 /nfs/dbraw/zinc/21/10/12/658211012.db2.gz MIPHYDMPUMFTEU-IHRRRGAJSA-N 1 3 298.431 -0.677 20 0 CBADHO O=C1OCCN1[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392401 658254180 /nfs/dbraw/zinc/25/41/80/658254180.db2.gz RIPIOIYHROMDIA-NEPJUHHUSA-N 1 3 281.356 -0.109 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000923396172 658255262 /nfs/dbraw/zinc/25/52/62/658255262.db2.gz VSCCWHRVVNAGJN-CYDGBPFRSA-N 1 3 267.373 -0.219 20 0 CBADHO C[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413860 658271233 /nfs/dbraw/zinc/27/12/33/658271233.db2.gz JBWFIVRWCSVRIR-DBIOUOCHSA-N 1 3 255.318 -0.766 20 0 CBADHO CON1CC[C@H](N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923445560 658283443 /nfs/dbraw/zinc/28/34/43/658283443.db2.gz XVCNVMBEEQRBEG-NEPJUHHUSA-N 1 3 283.372 -0.022 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000923510158 658310351 /nfs/dbraw/zinc/31/03/51/658310351.db2.gz PHHNFWDTROSXPB-NXEZZACHSA-N 1 3 257.334 -0.713 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000923510158 658310368 /nfs/dbraw/zinc/31/03/68/658310368.db2.gz PHHNFWDTROSXPB-NXEZZACHSA-N 1 3 257.334 -0.713 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923562112 658325543 /nfs/dbraw/zinc/32/55/43/658325543.db2.gz DIPKLXULNPWUPB-GHMZBOCLSA-N 1 3 276.406 -0.662 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923646344 658372808 /nfs/dbraw/zinc/37/28/08/658372808.db2.gz QNYPGFWBSUYZCZ-GHMZBOCLSA-N 1 3 273.402 -0.391 20 0 CBADHO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923647184 658373612 /nfs/dbraw/zinc/37/36/12/658373612.db2.gz ARWWXKBXTPYXMS-GFCCVEGCSA-N 1 3 296.396 -0.474 20 0 CBADHO C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@H]1CC[NH3+] ZINC000923651083 658375245 /nfs/dbraw/zinc/37/52/45/658375245.db2.gz CWPOWZOAQFKXBN-NEPJUHHUSA-N 1 3 290.433 -0.414 20 0 CBADHO C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923649219 658376289 /nfs/dbraw/zinc/37/62/89/658376289.db2.gz NHRKLUIXQDGENU-IJLUTSLNSA-N 1 3 290.433 -0.558 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923659937 658384700 /nfs/dbraw/zinc/38/47/00/658384700.db2.gz QMSLYHXUPZUKNU-NSHDSACASA-N 1 3 291.417 -0.669 20 0 CBADHO N[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000923659366 658384842 /nfs/dbraw/zinc/38/48/42/658384842.db2.gz NJFPMGAGQWIYGD-IVZWLZJFSA-N 1 3 265.354 -0.561 20 0 CBADHO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CNC1 ZINC000923669640 658392543 /nfs/dbraw/zinc/39/25/43/658392543.db2.gz ATRMDNQELDCCPG-SNVBAGLBSA-N 1 3 289.401 -0.964 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC000923704363 658408355 /nfs/dbraw/zinc/40/83/55/658408355.db2.gz RXGRQXODFXOJEF-GHMZBOCLSA-N 1 3 276.406 -0.947 20 0 CBADHO O=S(=O)(C1CNC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923733933 658425049 /nfs/dbraw/zinc/42/50/49/658425049.db2.gz GMBOENDBLLGJLJ-NSHDSACASA-N 1 3 259.375 -0.494 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592506 658619117 /nfs/dbraw/zinc/61/91/17/658619117.db2.gz RSCHYGDMOZDKED-RYUDHWBXSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592506 658619136 /nfs/dbraw/zinc/61/91/36/658619136.db2.gz RSCHYGDMOZDKED-RYUDHWBXSA-N 1 3 280.372 -0.047 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918950 658753233 /nfs/dbraw/zinc/75/32/33/658753233.db2.gz HCWMIRFNRHFFLA-MQYQWHSLSA-N 1 3 279.384 -0.633 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC[N@@H+]1C ZINC000959965177 658770111 /nfs/dbraw/zinc/77/01/11/658770111.db2.gz IRMQSBNHFZKLDP-KVSVUVNWSA-N 1 3 267.373 -0.635 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC[N@H+]1C ZINC000959965177 658770193 /nfs/dbraw/zinc/77/01/93/658770193.db2.gz IRMQSBNHFZKLDP-KVSVUVNWSA-N 1 3 267.373 -0.635 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961768532 658833790 /nfs/dbraw/zinc/83/37/90/658833790.db2.gz BXSVBKPMYRDOLG-CIQGVGRVSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961768532 658833791 /nfs/dbraw/zinc/83/37/91/658833791.db2.gz BXSVBKPMYRDOLG-CIQGVGRVSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)[C@H](C)CN1CCO ZINC000925426269 658846970 /nfs/dbraw/zinc/84/69/70/658846970.db2.gz MHRRLFPNEGYCNQ-JHJVBQTASA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)[C@H](C)CN1CCO ZINC000925426269 658846972 /nfs/dbraw/zinc/84/69/72/658846972.db2.gz MHRRLFPNEGYCNQ-JHJVBQTASA-N 1 3 284.404 -0.213 20 0 CBADHO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000925426679 658848193 /nfs/dbraw/zinc/84/81/93/658848193.db2.gz WVHNHSMNDMWWPU-GFCCVEGCSA-N 1 3 284.404 -0.211 20 0 CBADHO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000925426679 658848194 /nfs/dbraw/zinc/84/81/94/658848194.db2.gz WVHNHSMNDMWWPU-GFCCVEGCSA-N 1 3 284.404 -0.211 20 0 CBADHO C[C@H](CN[C@@H]1C[NH2+]CCOC1)CN1CCOCC1 ZINC000925508974 658857054 /nfs/dbraw/zinc/85/70/54/658857054.db2.gz KSJRMZPAPFLMEP-CHWSQXEVSA-N 1 3 257.378 -0.467 20 0 CBADHO C[C@@H]1NCCC[C@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000925492343 658857186 /nfs/dbraw/zinc/85/71/86/658857186.db2.gz SRVYXUCTLYIXSJ-QWHCGFSZSA-N 1 3 268.405 -0.119 20 0 CBADHO CCN1CCN([C@@H](C)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925546785 658857786 /nfs/dbraw/zinc/85/77/86/658857786.db2.gz KPTLNDBEKLUQCN-UONOGXRCSA-N 1 3 270.421 -0.410 20 0 CBADHO OCCN1CCCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925681162 658865489 /nfs/dbraw/zinc/86/54/89/658865489.db2.gz SYRBXSNTMJYPLM-OLZOCXBDSA-N 1 3 257.378 -0.589 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)n1 ZINC000925717294 658866770 /nfs/dbraw/zinc/86/67/70/658866770.db2.gz SFGGEKNUFOIAOO-LIHPDXLKSA-N 1 3 275.356 -0.273 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926328332 658893130 /nfs/dbraw/zinc/89/31/30/658893130.db2.gz OFMSMVMVZLSEIU-CYBMUJFWSA-N 1 3 296.415 -0.262 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926332593 658893145 /nfs/dbraw/zinc/89/31/45/658893145.db2.gz GSJQDBMZYHQRHY-FRRDWIJNSA-N 1 3 296.415 -0.265 20 0 CBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cn1ccnn1 ZINC000926572405 658904809 /nfs/dbraw/zinc/90/48/09/658904809.db2.gz HRIZYCPLBXOUPO-FXJUQPSGSA-N 1 3 265.361 -0.431 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969956492 659025614 /nfs/dbraw/zinc/02/56/14/659025614.db2.gz XDYBAMQRSBJMQL-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969948340 659025917 /nfs/dbraw/zinc/02/59/17/659025917.db2.gz KAPOTSCCTSQRFI-VXGBXAGGSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000969964585 659027742 /nfs/dbraw/zinc/02/77/42/659027742.db2.gz GLDUHHDBPRNEJY-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970103979 659035952 /nfs/dbraw/zinc/03/59/52/659035952.db2.gz WOLMSPXKUPVWDA-NXEZZACHSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN1C ZINC000928559533 659041629 /nfs/dbraw/zinc/04/16/29/659041629.db2.gz ZLKKVGGVMKSWBY-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCCO)C1 ZINC000970879110 659074491 /nfs/dbraw/zinc/07/44/91/659074491.db2.gz RQQVOBRXLXOSHF-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCCO)C1 ZINC000970879110 659074499 /nfs/dbraw/zinc/07/44/99/659074499.db2.gz RQQVOBRXLXOSHF-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972335083 659117413 /nfs/dbraw/zinc/11/74/13/659117413.db2.gz MTOAIEXQHGJUBR-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972335083 659117418 /nfs/dbraw/zinc/11/74/18/659117418.db2.gz MTOAIEXQHGJUBR-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CON1CC[C@H](N(C)CCCN(C)CC[NH+](C)C)C1=O ZINC000930503421 659300018 /nfs/dbraw/zinc/30/00/18/659300018.db2.gz RLZQHCMDLVCVQP-ZDUSSCGKSA-N 1 3 286.420 -0.036 20 0 CBADHO CON1CC[C@@H](N(C)CCCN(C)CC[NH+](C)C)C1=O ZINC000930503420 659300676 /nfs/dbraw/zinc/30/06/76/659300676.db2.gz RLZQHCMDLVCVQP-CYBMUJFWSA-N 1 3 286.420 -0.036 20 0 CBADHO O=C(N1CC2(C1)CCCN(CCO)C2)C12CC[NH+](CC1)C2 ZINC000982120481 659340787 /nfs/dbraw/zinc/34/07/87/659340787.db2.gz XUFSWXROFFTROI-UHFFFAOYSA-N 1 3 293.411 -0.001 20 0 CBADHO CN1C[C@]2(C)C[NH+](CCCS(N)(=O)=O)C[C@@]2(C)C1 ZINC000931311105 659431992 /nfs/dbraw/zinc/43/19/92/659431992.db2.gz NRYYBQDHNOFWFT-VXGBXAGGSA-N 1 3 275.418 -0.061 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN(C)C1CCC1 ZINC000988968289 659565455 /nfs/dbraw/zinc/56/54/55/659565455.db2.gz RRKZAQDWBWXVCD-WDEREUQCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390101 659582980 /nfs/dbraw/zinc/58/29/80/659582980.db2.gz MSSQTFXUFZVAOR-JQWIXIFHSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CN1CCC(C)CC1 ZINC000989606810 659601769 /nfs/dbraw/zinc/60/17/69/659601769.db2.gz VJMXMTYWPFRSQM-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC000990278434 659711696 /nfs/dbraw/zinc/71/16/96/659711696.db2.gz SFKBNHMEISGYNF-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000695414717 790689252 /nfs/dbraw/zinc/68/92/52/790689252.db2.gz YGXYLVYDNANMPE-AGIUHOORSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000720514011 790766317 /nfs/dbraw/zinc/76/63/17/790766317.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000720514011 790766321 /nfs/dbraw/zinc/76/63/21/790766321.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1C[C@@H](CCNC[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000723370907 790799470 /nfs/dbraw/zinc/79/94/70/790799470.db2.gz NWDVECUFXGXIQR-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1C[C@H](CCNC[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000723370903 790799773 /nfs/dbraw/zinc/79/97/73/790799773.db2.gz NWDVECUFXGXIQR-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCO[C@@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000724930544 790815179 /nfs/dbraw/zinc/81/51/79/790815179.db2.gz KYOPRZXLYODHEI-CYBMUJFWSA-N 1 3 257.378 -0.371 20 0 CBADHO C[C@@]1(CNS(=O)(=O)N2CCNCC2)CCC[NH2+]C1 ZINC000822306709 790832738 /nfs/dbraw/zinc/83/27/38/790832738.db2.gz JVKJLTQKVXCJAP-LLVKDONJSA-N 1 3 276.406 -0.884 20 0 CBADHO CN(CCO)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000912598126 790914832 /nfs/dbraw/zinc/91/48/32/790914832.db2.gz BVZJAYGYYDTKMD-LBPRGKRZSA-N 1 3 257.378 -0.289 20 0 CBADHO CN(CCO)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000912598126 790914841 /nfs/dbraw/zinc/91/48/41/790914841.db2.gz BVZJAYGYYDTKMD-LBPRGKRZSA-N 1 3 257.378 -0.289 20 0 CBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455080 791014349 /nfs/dbraw/zinc/01/43/49/791014349.db2.gz GDCAPIOKBXUHBX-DPWYMPPLSA-N 1 3 295.383 -0.921 20 0 CBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455081 791015719 /nfs/dbraw/zinc/01/57/19/791015719.db2.gz GDCAPIOKBXUHBX-UOQZBTRHSA-N 1 3 295.383 -0.921 20 0 CBADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022715973 791040664 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CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886369 814924487 /nfs/dbraw/zinc/92/44/87/814924487.db2.gz VKAIJXOEBOXIJZ-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886369 814924490 /nfs/dbraw/zinc/92/44/90/814924490.db2.gz VKAIJXOEBOXIJZ-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078008573 805821661 /nfs/dbraw/zinc/82/16/61/805821661.db2.gz LLHOPEBMLKXWAO-YNEHKIRRSA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078008573 805821670 /nfs/dbraw/zinc/82/16/70/805821670.db2.gz LLHOPEBMLKXWAO-YNEHKIRRSA-N 1 3 269.389 -0.102 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001078174093 805848096 /nfs/dbraw/zinc/84/80/96/805848096.db2.gz BBMHUGMXOOJQBU-YNEHKIRRSA-N 1 3 267.373 -0.491 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001078174093 805848107 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CBADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900681 814926444 /nfs/dbraw/zinc/92/64/44/814926444.db2.gz UIULCHPYVGBVPP-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724056 805941679 /nfs/dbraw/zinc/94/16/79/805941679.db2.gz YAUFRQPPEYWRLA-FDYHWXHSSA-N 1 3 269.389 -0.245 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724056 805941687 /nfs/dbraw/zinc/94/16/87/805941687.db2.gz YAUFRQPPEYWRLA-FDYHWXHSSA-N 1 3 269.389 -0.245 20 0 CBADHO CN(C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001147970608 814927464 /nfs/dbraw/zinc/92/74/64/814927464.db2.gz MQOJNKCJHLENBX-UHFFFAOYSA-N 1 3 294.399 -0.591 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977016 814928221 /nfs/dbraw/zinc/92/82/21/814928221.db2.gz GJFDNPDRJDCMML-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999695 814929280 /nfs/dbraw/zinc/92/92/80/814929280.db2.gz CTKSFCFLDIFBAS-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1)N(C)C ZINC001082589611 806186169 /nfs/dbraw/zinc/18/61/69/806186169.db2.gz IFVMUXIEJBLIME-IJLUTSLNSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561594 806186314 /nfs/dbraw/zinc/18/63/14/806186314.db2.gz CXFUWKGFPUPUAV-NTZNESFSSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(N)=O ZINC001082570209 806186511 /nfs/dbraw/zinc/18/65/11/806186511.db2.gz BYASOKSXYZMFFU-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(N)=O ZINC001082570209 806186514 /nfs/dbraw/zinc/18/65/14/806186514.db2.gz BYASOKSXYZMFFU-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083782968 806429631 /nfs/dbraw/zinc/42/96/31/806429631.db2.gz UWQYFGHUMOEBLL-OLZOCXBDSA-N 1 3 299.415 -0.738 20 0 CBADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083782968 806429636 /nfs/dbraw/zinc/42/96/36/806429636.db2.gz UWQYFGHUMOEBLL-OLZOCXBDSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC[N@@H+]1C ZINC001085202092 806549537 /nfs/dbraw/zinc/54/95/37/806549537.db2.gz NUEMCZPCSNCWQH-FDYHWXHSSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC[N@H+]1C ZINC001085202092 806549542 /nfs/dbraw/zinc/54/95/42/806549542.db2.gz NUEMCZPCSNCWQH-FDYHWXHSSA-N 1 3 296.415 -0.171 20 0 CBADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085395314 806555277 /nfs/dbraw/zinc/55/52/77/806555277.db2.gz FWDKLBPEVHVVKH-VXGBXAGGSA-N 1 3 294.399 -0.416 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023128671 798885588 /nfs/dbraw/zinc/88/55/88/798885588.db2.gz OBEZOPXPIHQYGN-RVMXOQNASA-N 1 3 296.415 -0.029 20 0 CBADHO NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001026365981 799001540 /nfs/dbraw/zinc/00/15/40/799001540.db2.gz DSDHBMJIRSDDAS-MVWJERBFSA-N 1 3 291.355 -0.736 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027091951 799030616 /nfs/dbraw/zinc/03/06/16/799030616.db2.gz XBRYKAMHVBWSGF-CMPLNLGQSA-N 1 3 291.355 -0.721 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688227 799533986 /nfs/dbraw/zinc/53/39/86/799533986.db2.gz ATDJGQLZPRXDJQ-ZIAGYGMSSA-N 1 3 297.399 -0.720 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688227 799533990 /nfs/dbraw/zinc/53/39/90/799533990.db2.gz ATDJGQLZPRXDJQ-ZIAGYGMSSA-N 1 3 297.399 -0.720 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033663170 799777453 /nfs/dbraw/zinc/77/74/53/799777453.db2.gz UNGUNFMIBJSGNH-NWDGAFQWSA-N 1 3 255.362 -0.537 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033663170 799777456 /nfs/dbraw/zinc/77/74/56/799777456.db2.gz UNGUNFMIBJSGNH-NWDGAFQWSA-N 1 3 255.362 -0.537 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036054481 799975068 /nfs/dbraw/zinc/97/50/68/799975068.db2.gz KUOUTRNZUHQEPI-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037933016 800025293 /nfs/dbraw/zinc/02/52/93/800025293.db2.gz KEDWSCOPZVAMER-PWSUYJOCSA-N 1 3 293.371 -0.346 20 0 CBADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001038628111 801229529 /nfs/dbraw/zinc/22/95/29/801229529.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001038628111 801229535 /nfs/dbraw/zinc/22/95/35/801229535.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCCO)C1 ZINC001038628111 801229541 /nfs/dbraw/zinc/22/95/41/801229541.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCCO)C1 ZINC001038628111 801229545 /nfs/dbraw/zinc/22/95/45/801229545.db2.gz NDPJRFBTIHLCPY-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001038628110 801230648 /nfs/dbraw/zinc/23/06/48/801230648.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001038628110 801230649 /nfs/dbraw/zinc/23/06/49/801230649.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CCCO)C1 ZINC001038628110 801230653 /nfs/dbraw/zinc/23/06/53/801230653.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CCCO)C1 ZINC001038628110 801230657 /nfs/dbraw/zinc/23/06/57/801230657.db2.gz NDPJRFBTIHLCPY-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750460 801667476 /nfs/dbraw/zinc/66/74/76/801667476.db2.gz OQNYJFRQADMXPU-ZJUUUORDSA-N 1 3 279.344 -0.593 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)CC[N@@H+]1C ZINC001046330070 801753875 /nfs/dbraw/zinc/75/38/75/801753875.db2.gz WADRVUKYVXRGSM-BZPMIXESSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)CC[N@H+]1C ZINC001046330070 801753880 /nfs/dbraw/zinc/75/38/80/801753880.db2.gz WADRVUKYVXRGSM-BZPMIXESSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001054734149 802366662 /nfs/dbraw/zinc/36/66/62/802366662.db2.gz ASXOYZMGWGZGOJ-WCQYABFASA-N 1 3 269.389 -0.101 20 0 CBADHO NCC(C[NH3+])NCCC(=O)N1CCc2ccccc21 ZINC001119618772 812836554 /nfs/dbraw/zinc/83/65/54/812836554.db2.gz RHPWSNCLARTDFG-UHFFFAOYSA-N 1 3 262.357 -0.159 20 0 CBADHO Cn1c(CNC(CN)C[NH3+])nc2ccccc2c1=O ZINC001119682581 812865961 /nfs/dbraw/zinc/86/59/61/812865961.db2.gz NXKABHWFCSVIAG-UHFFFAOYSA-N 1 3 261.329 -0.691 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001122021758 813105645 /nfs/dbraw/zinc/10/56/45/813105645.db2.gz OAXGUKOAMDSOHT-QJPTWQEYSA-N 1 3 252.362 -0.900 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001122103585 813117663 /nfs/dbraw/zinc/11/76/63/813117663.db2.gz OUXMSLVLOGKUKT-NEPJUHHUSA-N 1 3 268.405 -0.216 20 0 CBADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122106925 813117878 /nfs/dbraw/zinc/11/78/78/813117878.db2.gz WCAHAPUZKLDXOK-UHFFFAOYSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC(C)(C)N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001122131690 813121361 /nfs/dbraw/zinc/12/13/61/813121361.db2.gz CEUGKDXQDJGFKP-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001133290955 814237512 /nfs/dbraw/zinc/23/75/12/814237512.db2.gz GCFVETOBYJNGGG-NSHDSACASA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294274 814238336 /nfs/dbraw/zinc/23/83/36/814238336.db2.gz AMLHNXCIZUKFDD-NEPJUHHUSA-N 1 3 286.420 -0.053 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290804 814238391 /nfs/dbraw/zinc/23/83/91/814238391.db2.gz CVUWPYOZSNPVPK-UHFFFAOYSA-N 1 3 272.393 -0.584 20 0 CBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294729 814238491 /nfs/dbraw/zinc/23/84/91/814238491.db2.gz QZHSAGPMFZVRDU-GFCCVEGCSA-N 1 3 286.420 -0.195 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133345367 814246902 /nfs/dbraw/zinc/24/69/02/814246902.db2.gz BFMAEMXEOUSFCU-OLZOCXBDSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415620 814249671 /nfs/dbraw/zinc/24/96/71/814249671.db2.gz HUMBJTFWGUXGMS-CYBMUJFWSA-N 1 3 286.420 -0.197 20 0 CBADHO CCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360387 814940347 /nfs/dbraw/zinc/94/03/47/814940347.db2.gz SEUPPCRHJNKNLN-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC1 ZINC001148571092 814951434 /nfs/dbraw/zinc/95/14/34/814951434.db2.gz VWMPRPOIRLDMHG-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC1 ZINC001148571092 814951438 /nfs/dbraw/zinc/95/14/38/814951438.db2.gz VWMPRPOIRLDMHG-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001148643426 814953586 /nfs/dbraw/zinc/95/35/86/814953586.db2.gz ZZNBZEHQEVNUGM-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001148643187 814953860 /nfs/dbraw/zinc/95/38/60/814953860.db2.gz UDIFWZBBTLITCB-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001148642032 814954307 /nfs/dbraw/zinc/95/43/07/814954307.db2.gz CDJYYEHLZAWISL-LBPRGKRZSA-N 1 3 294.403 -0.187 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001148642729 814954375 /nfs/dbraw/zinc/95/43/75/814954375.db2.gz MLGMUURMWYFRNU-UHFFFAOYSA-N 1 3 267.377 -0.069 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001148643416 814954407 /nfs/dbraw/zinc/95/44/07/814954407.db2.gz ZISGQUCQHOCYAO-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001148638377 814954492 /nfs/dbraw/zinc/95/44/92/814954492.db2.gz GLIPNSSDLKCCSI-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001321652719 803796365 /nfs/dbraw/zinc/79/63/65/803796365.db2.gz OXRLRQNHLVTZSA-ZJUUUORDSA-N 1 3 258.366 -0.833 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001321710591 803805695 /nfs/dbraw/zinc/80/56/95/803805695.db2.gz QZEQXQOGXNHASD-NEPJUHHUSA-N 1 3 299.419 -0.554 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001322791657 803939160 /nfs/dbraw/zinc/93/91/60/803939160.db2.gz BPTCEWPKHOGODU-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)C1=CN2NC=CC=C2N1 ZINC001149443554 814990323 /nfs/dbraw/zinc/99/03/23/814990323.db2.gz FKPMCZUFECTJJP-UHFFFAOYSA-N 1 3 277.332 -0.933 20 0 CBADHO C[NH+](C)[C@H](C(=O)NC[C@H]1CN(CCO)CCCO1)C1CC1 ZINC001149842512 815011149 /nfs/dbraw/zinc/01/11/49/815011149.db2.gz VUFQXHWGMDAFGU-KBPBESRZSA-N 1 3 299.415 -0.474 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048354 815051641 /nfs/dbraw/zinc/05/16/41/815051641.db2.gz AGQFYFPZKLIPHJ-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048354 815051648 /nfs/dbraw/zinc/05/16/48/815051648.db2.gz AGQFYFPZKLIPHJ-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065840 815056995 /nfs/dbraw/zinc/05/69/95/815056995.db2.gz NLNFATAENZXDNJ-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065840 815057002 /nfs/dbraw/zinc/05/70/02/815057002.db2.gz NLNFATAENZXDNJ-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO Cn1cncc1CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049443 815054893 /nfs/dbraw/zinc/05/48/93/815054893.db2.gz OZFIBAPQYUDEID-LLVKDONJSA-N 1 3 265.361 -0.422 20 0 CBADHO Cn1cncc1CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049443 815054899 /nfs/dbraw/zinc/05/48/99/815054899.db2.gz OZFIBAPQYUDEID-LLVKDONJSA-N 1 3 265.361 -0.422 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001151049592 815055159 /nfs/dbraw/zinc/05/51/59/815055159.db2.gz SVZCOBLNMBABTO-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001151049592 815055165 /nfs/dbraw/zinc/05/51/65/815055165.db2.gz SVZCOBLNMBABTO-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066777 815056508 /nfs/dbraw/zinc/05/65/08/815056508.db2.gz YPRWQHWEYMQNCY-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066777 815056514 /nfs/dbraw/zinc/05/65/14/815056514.db2.gz YPRWQHWEYMQNCY-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066979 815057195 /nfs/dbraw/zinc/05/71/95/815057195.db2.gz ZSBNTDRVTZLSGF-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066979 815057200 /nfs/dbraw/zinc/05/72/00/815057200.db2.gz ZSBNTDRVTZLSGF-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151066101 815057275 /nfs/dbraw/zinc/05/72/75/815057275.db2.gz QAZFTVQLYHTTQH-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151066101 815057282 /nfs/dbraw/zinc/05/72/82/815057282.db2.gz QAZFTVQLYHTTQH-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073461 815058941 /nfs/dbraw/zinc/05/89/41/815058941.db2.gz LPLDORUUFRXPHB-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073461 815058948 /nfs/dbraw/zinc/05/89/48/815058948.db2.gz LPLDORUUFRXPHB-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073937 815059023 /nfs/dbraw/zinc/05/90/23/815059023.db2.gz SSPBUMNAFYIFML-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073937 815059029 /nfs/dbraw/zinc/05/90/29/815059029.db2.gz SSPBUMNAFYIFML-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)C1CC1 ZINC001072814395 805337384 /nfs/dbraw/zinc/33/73/84/805337384.db2.gz CHVOBAAYFDWTRX-ZDUSSCGKSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C1CC1 ZINC001072814395 805337393 /nfs/dbraw/zinc/33/73/93/805337393.db2.gz CHVOBAAYFDWTRX-ZDUSSCGKSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073891326 805422437 /nfs/dbraw/zinc/42/24/37/805422437.db2.gz OJUIZOYRTAVJQT-UONOGXRCSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073891326 805422441 /nfs/dbraw/zinc/42/24/41/805422441.db2.gz OJUIZOYRTAVJQT-UONOGXRCSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687094 805466013 /nfs/dbraw/zinc/46/60/13/805466013.db2.gz VYSIFSPHSOAMMN-MDZLAQPJSA-N 1 3 296.415 -0.077 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C)N(C)C ZINC001074885606 805476296 /nfs/dbraw/zinc/47/62/96/805476296.db2.gz NTRRVHAYRXLFEL-RHYQMDGZSA-N 1 3 284.404 -0.221 20 0 CBADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001076203843 805561256 /nfs/dbraw/zinc/56/12/56/805561256.db2.gz GARQOFDKBGFDMY-UONOGXRCSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCO ZINC001152145348 815106427 /nfs/dbraw/zinc/10/64/27/815106427.db2.gz BAXAVYDTWCVRQN-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N(C)C ZINC001152148416 815107920 /nfs/dbraw/zinc/10/79/20/815107920.db2.gz PPWKIYBUNVAWGJ-TXEJJXNPSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N(C)C ZINC001152148416 815107924 /nfs/dbraw/zinc/10/79/24/815107924.db2.gz PPWKIYBUNVAWGJ-TXEJJXNPSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340036 815117195 /nfs/dbraw/zinc/11/71/95/815117195.db2.gz FELKQOVKKVHJIG-UHFFFAOYSA-N 1 3 270.377 -0.686 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001152426702 815121217 /nfs/dbraw/zinc/12/12/17/815121217.db2.gz LNUHJNHPQIQYJX-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001152427376 815121246 /nfs/dbraw/zinc/12/12/46/815121246.db2.gz YDWRTMCTIYYKLU-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001152426704 815121507 /nfs/dbraw/zinc/12/15/07/815121507.db2.gz LNUHJNHPQIQYJX-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN1CC[C@H]([NH2+]CCNC(=O)CN(C)C(C)C)C1=O ZINC001152432545 815121974 /nfs/dbraw/zinc/12/19/74/815121974.db2.gz KKMFZCYQWUZDNN-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001152445625 815123278 /nfs/dbraw/zinc/12/32/78/815123278.db2.gz KQXOSCZOLNQXGR-LLVKDONJSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152459117 815124193 /nfs/dbraw/zinc/12/41/93/815124193.db2.gz ZDADISFPNKRLRH-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470705 815124606 /nfs/dbraw/zinc/12/46/06/815124606.db2.gz FOOCPSNRPPSBDD-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1c[nH]c2ncncc12 ZINC001152908460 815141546 /nfs/dbraw/zinc/14/15/46/815141546.db2.gz BTTOQYISFKIHMJ-UHFFFAOYSA-N 1 3 275.316 -0.016 20 0 CBADHO C[C@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001153299910 815157292 /nfs/dbraw/zinc/15/72/92/815157292.db2.gz FNYSPJNOUUQBAE-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO COC(=O)[C@@H](Nc1ncc2c(n1)CCNC2)C(C)(C)[NH3+] ZINC001155369670 815279876 /nfs/dbraw/zinc/27/98/76/815279876.db2.gz ZKSZVQTXGUGUBJ-SNVBAGLBSA-N 1 3 279.344 -0.187 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612480 815645640 /nfs/dbraw/zinc/64/56/40/815645640.db2.gz ZRDOMRMCXSBLBM-DGCLKSJQSA-N 1 3 269.389 -0.066 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001155790708 815312175 /nfs/dbraw/zinc/31/21/75/815312175.db2.gz MOZMAXSKYZQEJN-GFCCVEGCSA-N 1 3 280.376 -0.495 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791886 815313607 /nfs/dbraw/zinc/31/36/07/815313607.db2.gz ZRCCBRDYAWSXHG-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791553 815313669 /nfs/dbraw/zinc/31/36/69/815313669.db2.gz WNOPZONICGXSOF-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnn2c1OCC2 ZINC001156188183 815343422 /nfs/dbraw/zinc/34/34/22/815343422.db2.gz PYNSWQJTUJGQJP-UHFFFAOYSA-N 1 3 266.305 -0.650 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086278507 810255246 /nfs/dbraw/zinc/25/52/46/810255246.db2.gz ZDHLEDKXORRMJG-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088425151 810330175 /nfs/dbraw/zinc/33/01/75/810330175.db2.gz OKUSMLMSCHASBC-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088425151 810330180 /nfs/dbraw/zinc/33/01/80/810330180.db2.gz OKUSMLMSCHASBC-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536206 810516950 /nfs/dbraw/zinc/51/69/50/810516950.db2.gz BXXKSCOECGDUOO-QWHCGFSZSA-N 1 3 269.389 -0.101 20 0 CBADHO CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536205 810517586 /nfs/dbraw/zinc/51/75/86/810517586.db2.gz BXXKSCOECGDUOO-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730390 810560273 /nfs/dbraw/zinc/56/02/73/810560273.db2.gz KZNOTAKISODJGK-OLZOCXBDSA-N 1 3 297.399 -0.720 20 0 CBADHO COCCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730392 810560358 /nfs/dbraw/zinc/56/03/58/810560358.db2.gz KZNOTAKISODJGK-STQMWFEESA-N 1 3 297.399 -0.720 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091378919 810604450 /nfs/dbraw/zinc/60/44/50/810604450.db2.gz ZDHLEDKXORRMJG-WXRRBKDZSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)N(C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001157006828 815399040 /nfs/dbraw/zinc/39/90/40/815399040.db2.gz QAHDHFHTAKWIMK-LLVKDONJSA-N 1 3 255.362 -0.084 20 0 CBADHO O=C(CN1CCCC1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098561434 810852129 /nfs/dbraw/zinc/85/21/29/810852129.db2.gz CJNQMHQXPDDKMY-UHFFFAOYSA-N 1 3 299.415 -0.640 20 0 CBADHO N[C@@H](C(=O)NCc1cc2n(n1)CCCO2)C1CC[NH2+]CC1 ZINC001157081844 815403714 /nfs/dbraw/zinc/40/37/14/815403714.db2.gz CMJNSXGZYWVOIK-CYBMUJFWSA-N 1 3 293.371 -0.391 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001099971412 810979962 /nfs/dbraw/zinc/97/99/62/810979962.db2.gz HJXKKYGRLFSAHD-OLZOCXBDSA-N 1 3 299.415 -0.738 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001099986546 810985550 /nfs/dbraw/zinc/98/55/50/810985550.db2.gz MIASNROBTANLOA-RYUDHWBXSA-N 1 3 275.368 -0.151 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986399 810985646 /nfs/dbraw/zinc/98/56/46/810985646.db2.gz KFSMIAXDZWUFQU-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO CCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050096 811006426 /nfs/dbraw/zinc/00/64/26/811006426.db2.gz BXHCDUGSJCXVQN-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001100064172 811009762 /nfs/dbraw/zinc/00/97/62/811009762.db2.gz JHFNJXVKUQLXSW-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001100064172 811009772 /nfs/dbraw/zinc/00/97/72/811009772.db2.gz JHFNJXVKUQLXSW-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100131257 811025640 /nfs/dbraw/zinc/02/56/40/811025640.db2.gz AIFFOUGBJLFVPU-QWHCGFSZSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100131257 811025646 /nfs/dbraw/zinc/02/56/46/811025646.db2.gz AIFFOUGBJLFVPU-QWHCGFSZSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001100426407 811055950 /nfs/dbraw/zinc/05/59/50/811055950.db2.gz GUDVRXXSSAXYPF-XIVSLSHWSA-N 1 3 284.404 -0.458 20 0 CBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCO)C2)CCC1 ZINC001100404751 811056694 /nfs/dbraw/zinc/05/66/94/811056694.db2.gz SENXATVBTUIFBU-UHFFFAOYSA-N 1 3 269.389 -0.053 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683808 811073304 /nfs/dbraw/zinc/07/33/04/811073304.db2.gz SRNWWFQWDRVPFT-BPCQOVAHSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100769412 811079196 /nfs/dbraw/zinc/07/91/96/811079196.db2.gz IVCKCDINGNBSON-UHFFFAOYSA-N 1 3 270.377 -0.702 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100904746 811084959 /nfs/dbraw/zinc/08/49/59/811084959.db2.gz FDIIRQDUWSZPSR-HIFPTAJRSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035942 811091079 /nfs/dbraw/zinc/09/10/79/811091079.db2.gz FRUKKKRCINVGMT-PNESKVBLSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNC[C@H](F)C1 ZINC001157322962 815423554 /nfs/dbraw/zinc/42/35/54/815423554.db2.gz GMURXKPFPUVNFS-AXFHLTTASA-N 1 3 288.367 -0.706 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C(C)C)N(C)C ZINC001157335366 815424298 /nfs/dbraw/zinc/42/42/98/815424298.db2.gz GWCVNPRGMNSBBG-NWDGAFQWSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378614 811180298 /nfs/dbraw/zinc/18/02/98/811180298.db2.gz AQUBCMCQUWGMMF-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCn2cnnc2C1 ZINC001157507250 815440104 /nfs/dbraw/zinc/44/01/04/815440104.db2.gz GWXAWJVJYSJDAU-NSHDSACASA-N 1 3 280.376 -0.321 20 0 CBADHO COC(=O)N1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001157508289 815440136 /nfs/dbraw/zinc/44/01/36/815440136.db2.gz RTWMYZLJHTZIJC-LLVKDONJSA-N 1 3 284.360 -0.776 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCOCC3)C[C@H]1F ZINC001157536782 815442651 /nfs/dbraw/zinc/44/26/51/815442651.db2.gz QYCGZLGTHDZRMJ-AXFHLTTASA-N 1 3 271.336 -0.490 20 0 CBADHO N[C@H]1CN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1F ZINC001157538373 815443412 /nfs/dbraw/zinc/44/34/12/815443412.db2.gz KMLJTBSKUCWWLE-RFGFWPKPSA-N 1 3 295.358 -0.185 20 0 CBADHO N[C@H]1CN(C(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1F ZINC001157537628 815443549 /nfs/dbraw/zinc/44/35/49/815443549.db2.gz CKSMXVLZJLEWOQ-XQQFMLRXSA-N 1 3 284.379 -0.432 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537046 815443928 /nfs/dbraw/zinc/44/39/28/815443928.db2.gz TXXUNPPBVNHDQO-SRRSOLGSSA-N 1 3 271.336 -0.347 20 0 CBADHO CN(Cc1ncccn1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157681434 815453126 /nfs/dbraw/zinc/45/31/26/815453126.db2.gz HXENQCNBIAQGJC-LBPRGKRZSA-N 1 3 263.345 -0.238 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001157715886 815455615 /nfs/dbraw/zinc/45/56/15/815455615.db2.gz KMTKHMKHWDKONF-KCJUWKMLSA-N 1 3 261.297 -0.834 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110979787 811535397 /nfs/dbraw/zinc/53/53/97/811535397.db2.gz DFMFYGIINDGNPP-UTUOFQBUSA-N 1 3 255.362 -0.348 20 0 CBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981405 811536278 /nfs/dbraw/zinc/53/62/78/811536278.db2.gz ONNRMSFXUCEJON-RQJABVFESA-N 1 3 299.415 -0.333 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)C=C1CC[NH2+]CC1 ZINC001157721434 815456340 /nfs/dbraw/zinc/45/63/40/815456340.db2.gz XVIOYXBAHFWKSL-GFCCVEGCSA-N 1 3 253.346 -0.257 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157717163 815457219 /nfs/dbraw/zinc/45/72/19/815457219.db2.gz XJWRMLZSOILGIO-CABZTGNLSA-N 1 3 275.324 -0.444 20 0 CBADHO O=C(N1CCC[C@H](F)C(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157730022 815458274 /nfs/dbraw/zinc/45/82/74/815458274.db2.gz GVCKSWKABBKICD-UHIISALHSA-N 1 3 283.347 -0.285 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157730872 815459618 /nfs/dbraw/zinc/45/96/18/815459618.db2.gz SMXPIIBOLUKJCZ-ZJUUUORDSA-N 1 3 259.325 -0.028 20 0 CBADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157856978 815474509 /nfs/dbraw/zinc/47/45/09/815474509.db2.gz YKYBTEKRVCOGAD-WZRBSPASSA-N 1 3 269.389 -0.067 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001157843442 815470502 /nfs/dbraw/zinc/47/05/02/815470502.db2.gz RAGQFCVCIZCDDI-GMTAPVOTSA-N 1 3 285.392 -0.652 20 0 CBADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CC1 ZINC001114409536 811747052 /nfs/dbraw/zinc/74/70/52/811747052.db2.gz MJIGKASUMOTORT-MROQNXINSA-N 1 3 267.373 -0.635 20 0 CBADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CC1 ZINC001114409536 811747059 /nfs/dbraw/zinc/74/70/59/811747059.db2.gz MJIGKASUMOTORT-MROQNXINSA-N 1 3 267.373 -0.635 20 0 CBADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414237 811747560 /nfs/dbraw/zinc/74/75/60/811747560.db2.gz PAEINMWDNMKJSM-MUYACECFSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414237 811747568 /nfs/dbraw/zinc/74/75/68/811747568.db2.gz PAEINMWDNMKJSM-MUYACECFSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406877 811747590 /nfs/dbraw/zinc/74/75/90/811747590.db2.gz MNVDRDMBPZPRAF-NDBYEHHHSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406877 811747596 /nfs/dbraw/zinc/74/75/96/811747596.db2.gz MNVDRDMBPZPRAF-NDBYEHHHSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H]1CC[C@@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157855301 815473398 /nfs/dbraw/zinc/47/33/98/815473398.db2.gz MDDHCFJHPWBFHT-KYEXWDHISA-N 1 3 281.400 -0.195 20 0 CBADHO C[C@H]1CC[C@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157855304 815473430 /nfs/dbraw/zinc/47/34/30/815473430.db2.gz MDDHCFJHPWBFHT-RMRHIDDWSA-N 1 3 281.400 -0.195 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157803777 815468409 /nfs/dbraw/zinc/46/84/09/815468409.db2.gz JRYNQYSCVLPTIF-KATARQTJSA-N 1 3 256.350 -0.966 20 0 CBADHO C[C@@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C[C@@H]1[NH3+] ZINC001157803357 815468447 /nfs/dbraw/zinc/46/84/47/815468447.db2.gz DQJIJPXPXWKHAH-WOPDTQHZSA-N 1 3 282.388 -0.478 20 0 CBADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157856976 815474750 /nfs/dbraw/zinc/47/47/50/815474750.db2.gz YKYBTEKRVCOGAD-NQBHXWOUSA-N 1 3 269.389 -0.067 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900580 815477856 /nfs/dbraw/zinc/47/78/56/815477856.db2.gz MSXCBOCLTWNQCP-DTWKUNHWSA-N 1 3 265.304 -0.471 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900685 815477863 /nfs/dbraw/zinc/47/78/63/815477863.db2.gz PDZBKODAJAIYKH-UWVGGRQHSA-N 1 3 279.331 -0.081 20 0 CBADHO N[C@@H](C(=O)N1C[C@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900900 815479488 /nfs/dbraw/zinc/47/94/88/815479488.db2.gz UYDJBSLXKHEJGL-MWLCHTKSSA-N 1 3 291.342 -0.211 20 0 CBADHO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157915318 815481428 /nfs/dbraw/zinc/48/14/28/815481428.db2.gz RIQUYTHXPFTLTQ-GUBZILKMSA-N 1 3 261.391 -0.623 20 0 CBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]cnc2C1 ZINC001157922556 815482766 /nfs/dbraw/zinc/48/27/66/815482766.db2.gz RBGIZNJBFWZGGD-LLVKDONJSA-N 1 3 292.387 -0.955 20 0 CBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nc[nH]c2C1 ZINC001157922556 815482771 /nfs/dbraw/zinc/48/27/71/815482771.db2.gz RBGIZNJBFWZGGD-LLVKDONJSA-N 1 3 292.387 -0.955 20 0 CBADHO COC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157922445 815483261 /nfs/dbraw/zinc/48/32/61/815483261.db2.gz ODGUJKNOXMPJTK-RYUDHWBXSA-N 1 3 267.373 -0.177 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157936377 815488238 /nfs/dbraw/zinc/48/82/38/815488238.db2.gz ZTFUKZMLOLPYLL-CMPLNLGQSA-N 1 3 293.408 -0.281 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@@H](N)C2CC[NH2+]CC2)no1 ZINC001157984384 815494555 /nfs/dbraw/zinc/49/45/55/815494555.db2.gz ZYXSMQMEWPQZKO-LBPRGKRZSA-N 1 3 281.360 -0.294 20 0 CBADHO N[C@@H](C(=O)N1CCNCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157946960 815490841 /nfs/dbraw/zinc/49/08/41/815490841.db2.gz QBJIOFFIMOUNII-SNVBAGLBSA-N 1 3 276.331 -0.620 20 0 CBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158014863 815498148 /nfs/dbraw/zinc/49/81/48/815498148.db2.gz OAHMKUWTWXJTNH-LALPHHSUSA-N 1 3 299.415 -0.834 20 0 CBADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001158082254 815502918 /nfs/dbraw/zinc/50/29/18/815502918.db2.gz MYIWYGHEXLZCME-GFCCVEGCSA-N 1 3 294.399 -0.953 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114750193 812157051 /nfs/dbraw/zinc/15/70/51/812157051.db2.gz CMBHDSYBJUDKGL-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779116 812160581 /nfs/dbraw/zinc/16/05/81/812160581.db2.gz XNMIUIGZGXPMOK-NHAGDIPZSA-N 1 3 299.415 -0.353 20 0 CBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159825 815507518 /nfs/dbraw/zinc/50/75/18/815507518.db2.gz FWTJSMIDDWCRDY-JSGCOSHPSA-N 1 3 294.399 -0.939 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115159034 812182128 /nfs/dbraw/zinc/18/21/28/812182128.db2.gz BQMUMDKDHNSXEG-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115159034 812182133 /nfs/dbraw/zinc/18/21/33/812182133.db2.gz BQMUMDKDHNSXEG-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198574 815512881 /nfs/dbraw/zinc/51/28/81/815512881.db2.gz HYSQUHDCLITHQB-ZDEQEGDKSA-N 1 3 296.415 -0.173 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187587 815510657 /nfs/dbraw/zinc/51/06/57/815510657.db2.gz XTGWOSSRYDFYBC-KNCBFOQLSA-N 1 3 259.375 -0.968 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187586 815510765 /nfs/dbraw/zinc/51/07/65/815510765.db2.gz XTGWOSSRYDFYBC-JPKNUMEHSA-N 1 3 259.375 -0.968 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158216259 815514768 /nfs/dbraw/zinc/51/47/68/815514768.db2.gz VXUYFSIQJXWOBM-KQXIARHKSA-N 1 3 282.388 -0.561 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC2(C1)CCCO2 ZINC001158236059 815515291 /nfs/dbraw/zinc/51/52/91/815515291.db2.gz WOVKAZZUADVWOG-SNVBAGLBSA-N 1 3 251.330 -0.813 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158320116 815520528 /nfs/dbraw/zinc/52/05/28/815520528.db2.gz SJVVKTDNJSPMGZ-HLTSFMKQSA-N 1 3 263.288 -0.455 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC001158306785 815519205 /nfs/dbraw/zinc/51/92/05/815519205.db2.gz WZJRUUASNRLBJE-SDDRHHMPSA-N 1 3 280.372 -0.854 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305719 815519825 /nfs/dbraw/zinc/51/98/25/815519825.db2.gz KQXGIASKSPGBPV-ZMLRMANQSA-N 1 3 263.345 -0.890 20 0 CBADHO [NH3+]CCNCC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335769 815521012 /nfs/dbraw/zinc/52/10/12/815521012.db2.gz XSLHNLBAOBJCQD-UONOGXRCSA-N 1 3 274.368 -0.368 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001158346939 815521769 /nfs/dbraw/zinc/52/17/69/815521769.db2.gz DCZVWSIYGWWBCZ-SKDRFNHKSA-N 1 3 263.345 -0.665 20 0 CBADHO NCc1cnnn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001158428403 815529379 /nfs/dbraw/zinc/52/93/79/815529379.db2.gz WFCUQWMXZBTQDV-UHFFFAOYSA-N 1 3 289.343 -0.106 20 0 CBADHO O[C@@H]1CCC[C@@H]1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223232 812499173 /nfs/dbraw/zinc/49/91/73/812499173.db2.gz OWNOLKPPBBMXMB-LSDHHAIUSA-N 1 3 282.432 -0.577 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567164 815538260 /nfs/dbraw/zinc/53/82/60/815538260.db2.gz FKTJUIFUYOTHIC-DLOVCJGASA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567164 815538265 /nfs/dbraw/zinc/53/82/65/815538265.db2.gz FKTJUIFUYOTHIC-DLOVCJGASA-N 1 3 295.362 -0.185 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1 ZINC001118550363 812573269 /nfs/dbraw/zinc/57/32/69/812573269.db2.gz DZLSGSUCSMMRPE-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](N)CCCC[NH3+] ZINC001158535597 815537691 /nfs/dbraw/zinc/53/76/91/815537691.db2.gz XZHAQVUQRNDFAI-SUNKGSAMSA-N 1 3 283.372 -0.003 20 0 CBADHO CC[NH2+]CC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118571505 812580318 /nfs/dbraw/zinc/58/03/18/812580318.db2.gz DQQASESCKRGONU-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001158626728 815540355 /nfs/dbraw/zinc/54/03/55/815540355.db2.gz ZGFAZBMKLFUMLW-KSFQGOMNSA-N 1 3 266.389 -0.241 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001158626728 815540357 /nfs/dbraw/zinc/54/03/57/815540357.db2.gz ZGFAZBMKLFUMLW-KSFQGOMNSA-N 1 3 266.389 -0.241 20 0 CBADHO COCCN1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001158605497 815540658 /nfs/dbraw/zinc/54/06/58/815540658.db2.gz YDVCKTGPJTYXNH-LBPRGKRZSA-N 1 3 272.393 -0.767 20 0 CBADHO [NH3+][C@H]1CN(c2cc3c(nn2)CCNC3)CC12COC2 ZINC001158766239 815546186 /nfs/dbraw/zinc/54/61/86/815546186.db2.gz VXYJUYZGQDUBAE-NSHDSACASA-N 1 3 261.329 -0.714 20 0 CBADHO CN1CCO[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]21 ZINC001158804624 815548079 /nfs/dbraw/zinc/54/80/79/815548079.db2.gz UICKHNCVRMMQQZ-MJBXVCDLSA-N 1 3 298.431 -0.413 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119241667 812730044 /nfs/dbraw/zinc/73/00/44/812730044.db2.gz KEUTUMUWRLFZCS-BETUJISGSA-N 1 3 268.405 -0.133 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119354111 812764116 /nfs/dbraw/zinc/76/41/16/812764116.db2.gz AEHMUXPMLQAVDJ-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119361231 812766390 /nfs/dbraw/zinc/76/63/90/812766390.db2.gz VCDMBYBCXUYLKP-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C[C@@H]21 ZINC001119610876 812833360 /nfs/dbraw/zinc/83/33/60/812833360.db2.gz IRADOPQNKBREHJ-GRYCIOLGSA-N 1 3 294.399 -0.655 20 0 CBADHO COCc1n[nH]c2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159090310 815559038 /nfs/dbraw/zinc/55/90/38/815559038.db2.gz CFNCBTPSACQIJT-SNVBAGLBSA-N 1 3 291.355 -0.793 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001120534134 812984266 /nfs/dbraw/zinc/98/42/66/812984266.db2.gz XCUJUAOVTIHVTH-TXEJJXNPSA-N 1 3 296.415 -0.312 20 0 CBADHO [NH3+]CCNCC(=O)NC[C@H]1NCCc2ccccc21 ZINC001121938030 813093126 /nfs/dbraw/zinc/09/31/26/813093126.db2.gz UENSVOOUHMAGGM-CYBMUJFWSA-N 1 3 262.357 -0.462 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001121938781 813093576 /nfs/dbraw/zinc/09/35/76/813093576.db2.gz DORPGRXADJMYAP-GFCCVEGCSA-N 1 3 266.389 -0.508 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[NH2+]CCC12CCC2 ZINC001121987825 813100908 /nfs/dbraw/zinc/10/09/08/813100908.db2.gz BIXIUWYJUZZAGA-NWDGAFQWSA-N 1 3 267.373 -0.129 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001122009206 813104057 /nfs/dbraw/zinc/10/40/57/813104057.db2.gz HNFDQCMDHBTARW-QLFBSQMISA-N 1 3 294.443 -0.014 20 0 CBADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1COC2(CNC2)C1 ZINC001122063495 813110613 /nfs/dbraw/zinc/11/06/13/813110613.db2.gz LCNNDUVKCAWJFK-GHMZBOCLSA-N 1 3 253.346 -0.377 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001122075299 813112838 /nfs/dbraw/zinc/11/28/38/813112838.db2.gz KHMJRSAMRCMJKP-GVXVVHGQSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC001122097265 813116792 /nfs/dbraw/zinc/11/67/92/813116792.db2.gz YKBWQRSYMOILNC-NSHDSACASA-N 1 3 265.313 -0.183 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001122143144 813123519 /nfs/dbraw/zinc/12/35/19/813123519.db2.gz IDINZOFMLDTHJR-ZJUUUORDSA-N 1 3 253.346 -0.521 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001122192878 813130443 /nfs/dbraw/zinc/13/04/43/813130443.db2.gz ZONMSHHEITXMMX-FRRDWIJNSA-N 1 3 266.389 -0.510 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CCC[NH2+]CC1 ZINC001122494605 813170520 /nfs/dbraw/zinc/17/05/20/813170520.db2.gz HLUPRCSZPYYFOW-NWDGAFQWSA-N 1 3 255.362 -0.129 20 0 CBADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567631 813176669 /nfs/dbraw/zinc/17/66/69/813176669.db2.gz VDOWTAYIFTWRCH-MEWQQHAOSA-N 1 3 253.346 -0.569 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001159855015 815601419 /nfs/dbraw/zinc/60/14/19/815601419.db2.gz ZWQKGYXVZKEWCR-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001159861342 815601526 /nfs/dbraw/zinc/60/15/26/815601526.db2.gz NCZWJDMLQCJQMI-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866940 813489430 /nfs/dbraw/zinc/48/94/30/813489430.db2.gz NZZMIHBSHQCGCL-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001124873583 813494203 /nfs/dbraw/zinc/49/42/03/813494203.db2.gz ZFHOTOCFYBLFLW-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001127067500 813710341 /nfs/dbraw/zinc/71/03/41/813710341.db2.gz YKYAQOPOSRYFFF-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001127067500 813710345 /nfs/dbraw/zinc/71/03/45/813710345.db2.gz YKYAQOPOSRYFFF-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257355 813722580 /nfs/dbraw/zinc/72/25/80/813722580.db2.gz XVMPCHHYVNWZKY-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257355 813722585 /nfs/dbraw/zinc/72/25/85/813722585.db2.gz 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CC(C)[C@@H](C(=O)NCCNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001129947373 813883409 /nfs/dbraw/zinc/88/34/09/813883409.db2.gz XAQSTLXIARDQBI-AWEZNQCLSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169858 813913221 /nfs/dbraw/zinc/91/32/21/813913221.db2.gz HUQDSNYDIIBTAH-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCn1cccn1)N(C)C ZINC001130200002 813916288 /nfs/dbraw/zinc/91/62/88/813916288.db2.gz ASBYLKCEIIMGDZ-GFCCVEGCSA-N 1 3 267.377 -0.071 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001130203339 813918708 /nfs/dbraw/zinc/91/87/08/813918708.db2.gz JIKGAHUETKQPKQ-CYBMUJFWSA-N 1 3 296.419 -0.059 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130425283 813938206 /nfs/dbraw/zinc/93/82/06/813938206.db2.gz RMEOEIZQHPLION-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130425283 813938212 /nfs/dbraw/zinc/93/82/12/813938212.db2.gz RMEOEIZQHPLION-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N(C)C ZINC001130418952 813938366 /nfs/dbraw/zinc/93/83/66/813938366.db2.gz DIVKGWDSYILIGF-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N(C)C ZINC001130418952 813938371 /nfs/dbraw/zinc/93/83/71/813938371.db2.gz DIVKGWDSYILIGF-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001130421813 813939270 /nfs/dbraw/zinc/93/92/70/813939270.db2.gz KBZDBKQVXZGKNE-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001130421813 813939275 /nfs/dbraw/zinc/93/92/75/813939275.db2.gz KBZDBKQVXZGKNE-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(N)=O ZINC001130618046 813956812 /nfs/dbraw/zinc/95/68/12/813956812.db2.gz QNVXDLBECWZPHM-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(N)=O ZINC001130618046 813956817 /nfs/dbraw/zinc/95/68/17/813956817.db2.gz QNVXDLBECWZPHM-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130709213 813967913 /nfs/dbraw/zinc/96/79/13/813967913.db2.gz XFYAMXSYHANVFI-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130709213 813967919 /nfs/dbraw/zinc/96/79/19/813967919.db2.gz XFYAMXSYHANVFI-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130713519 813969541 /nfs/dbraw/zinc/96/95/41/813969541.db2.gz RCPVKWAWTMCSPZ-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713519 813969544 /nfs/dbraw/zinc/96/95/44/813969544.db2.gz RCPVKWAWTMCSPZ-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130713520 813970530 /nfs/dbraw/zinc/97/05/30/813970530.db2.gz RCPVKWAWTMCSPZ-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713520 813970535 /nfs/dbraw/zinc/97/05/35/813970535.db2.gz RCPVKWAWTMCSPZ-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](NCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130810366 813983462 /nfs/dbraw/zinc/98/34/62/813983462.db2.gz SULIFZGFYCKVLA-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO O=C(NCC[NH2+]CCCF)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519655 814036743 /nfs/dbraw/zinc/03/67/43/814036743.db2.gz IRKPZSZPSLNXSD-MBHSVXNSSA-N 1 3 285.363 -0.085 20 0 CBADHO CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520233 814036807 /nfs/dbraw/zinc/03/68/07/814036807.db2.gz VOGAGUHAPIEIMD-OYNVLQORSA-N 1 3 297.399 -0.410 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CCN(CCO)C2)O1 ZINC001131682396 814053826 /nfs/dbraw/zinc/05/38/26/814053826.db2.gz OQKFBVSYQJDSIU-ZFWWWQNUSA-N 1 3 299.415 -0.378 20 0 CBADHO O=C(NCCN[C@@H]1CCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790541 814069743 /nfs/dbraw/zinc/06/97/43/814069743.db2.gz PCJSOJOOIKYWIY-CHWSQXEVSA-N 1 3 294.399 -0.545 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790815 814070148 /nfs/dbraw/zinc/07/01/48/814070148.db2.gz WIFGWLJETAZTOO-AWEZNQCLSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCO ZINC001132279411 814120942 /nfs/dbraw/zinc/12/09/42/814120942.db2.gz WSQBZLGGYDHRGA-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCO ZINC001132279405 814121024 /nfs/dbraw/zinc/12/10/24/814121024.db2.gz WSQBZLGGYDHRGA-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001132736470 814182486 /nfs/dbraw/zinc/18/24/86/814182486.db2.gz APVVHWSXLVNKGS-LLVKDONJSA-N 1 3 270.377 -0.701 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001132736470 814182488 /nfs/dbraw/zinc/18/24/88/814182488.db2.gz APVVHWSXLVNKGS-LLVKDONJSA-N 1 3 270.377 -0.701 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCC)C1 ZINC001132736948 814183120 /nfs/dbraw/zinc/18/31/20/814183120.db2.gz GSIRPEPETNWGGM-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCC)C1 ZINC001132736948 814183125 /nfs/dbraw/zinc/18/31/25/814183125.db2.gz GSIRPEPETNWGGM-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC)C1 ZINC001132738393 814183258 /nfs/dbraw/zinc/18/32/58/814183258.db2.gz BJAAKNFEKYMQDX-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC)C1 ZINC001132738393 814183263 /nfs/dbraw/zinc/18/32/63/814183263.db2.gz BJAAKNFEKYMQDX-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886593 814197972 /nfs/dbraw/zinc/19/79/72/814197972.db2.gz OMYUDSFAHNVGRJ-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886593 814197975 /nfs/dbraw/zinc/19/79/75/814197975.db2.gz OMYUDSFAHNVGRJ-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001132993429 814206110 /nfs/dbraw/zinc/20/61/10/814206110.db2.gz TXSROCOLQKIWLF-UHFFFAOYSA-N 1 3 296.415 -0.440 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993480 814206624 /nfs/dbraw/zinc/20/66/24/814206624.db2.gz WEQBMSNCKDHGBN-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001133040326 814212941 /nfs/dbraw/zinc/21/29/41/814212941.db2.gz LQZCWTMGLHCOQD-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133190212 814226795 /nfs/dbraw/zinc/22/67/95/814226795.db2.gz FLXYWNQIIGELMT-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133190213 814226892 /nfs/dbraw/zinc/22/68/92/814226892.db2.gz FLXYWNQIIGELMT-OLZOCXBDSA-N 1 3 298.431 -0.112 20 0 CBADHO CN(C(=O)CNCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001133285957 814235268 /nfs/dbraw/zinc/23/52/68/814235268.db2.gz PQEHOIDVUSKNGW-UHFFFAOYSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281582 814235908 /nfs/dbraw/zinc/23/59/08/814235908.db2.gz CXVFIRUEYJTCEF-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285617 814236267 /nfs/dbraw/zinc/23/62/67/814236267.db2.gz ACPBRVCLPGWHMX-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285967 814236546 /nfs/dbraw/zinc/23/65/46/814236546.db2.gz QKHANESWWGGZNS-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCOCCO)N(C)C ZINC001133419002 814252562 /nfs/dbraw/zinc/25/25/62/814252562.db2.gz IEXKXRHSWSXRHO-GFCCVEGCSA-N 1 3 275.393 -0.713 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001133820034 814300849 /nfs/dbraw/zinc/30/08/49/814300849.db2.gz WBLRYJDXTRTTJR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001133833708 814301387 /nfs/dbraw/zinc/30/13/87/814301387.db2.gz CVMVTMBYWHPYPC-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001133833708 814301395 /nfs/dbraw/zinc/30/13/95/814301395.db2.gz CVMVTMBYWHPYPC-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133820152 814303621 /nfs/dbraw/zinc/30/36/21/814303621.db2.gz ZXJLJMKQMLMVSX-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001133845511 814306762 /nfs/dbraw/zinc/30/67/62/814306762.db2.gz HPYNFSAJQJATOG-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845980 814306912 /nfs/dbraw/zinc/30/69/12/814306912.db2.gz RFUQXVQKSSKIRX-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845980 814306919 /nfs/dbraw/zinc/30/69/19/814306919.db2.gz RFUQXVQKSSKIRX-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133845863 814306947 /nfs/dbraw/zinc/30/69/47/814306947.db2.gz OXFNZMQTNNIKBY-LBPRGKRZSA-N 1 3 297.403 -0.941 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845474 814307835 /nfs/dbraw/zinc/30/78/35/814307835.db2.gz GZCNVLGICRBHSQ-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845474 814307842 /nfs/dbraw/zinc/30/78/42/814307842.db2.gz GZCNVLGICRBHSQ-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001133849730 814308039 /nfs/dbraw/zinc/30/80/39/814308039.db2.gz COWYZOGESBBCIU-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001133849730 814308046 /nfs/dbraw/zinc/30/80/46/814308046.db2.gz COWYZOGESBBCIU-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCNCC(N)=O)C1 ZINC001133850877 814308988 /nfs/dbraw/zinc/30/89/88/814308988.db2.gz QGMVAWLTJNGRJC-ZDUSSCGKSA-N 1 3 288.367 -0.610 20 0 CBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCNCC(N)=O)C1 ZINC001133850877 814308993 /nfs/dbraw/zinc/30/89/93/814308993.db2.gz QGMVAWLTJNGRJC-ZDUSSCGKSA-N 1 3 288.367 -0.610 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001133845741 814309495 /nfs/dbraw/zinc/30/94/95/814309495.db2.gz MMYIZTWVTVPFGJ-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCc2cncn2C)C1 ZINC001133853693 814312114 /nfs/dbraw/zinc/31/21/14/814312114.db2.gz OTINUWSJHQTOSA-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCc2cncn2C)C1 ZINC001133853693 814312120 /nfs/dbraw/zinc/31/21/20/814312120.db2.gz OTINUWSJHQTOSA-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870151 814318288 /nfs/dbraw/zinc/31/82/88/814318288.db2.gz QQJVFFQQVUNCPB-WDEREUQCSA-N 1 3 270.377 -0.974 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870151 814318299 /nfs/dbraw/zinc/31/82/99/814318299.db2.gz QQJVFFQQVUNCPB-WDEREUQCSA-N 1 3 270.377 -0.974 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001133899396 814319363 /nfs/dbraw/zinc/31/93/63/814319363.db2.gz FTKZXVLXVLNBDV-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908041 814322100 /nfs/dbraw/zinc/32/21/00/814322100.db2.gz FBSKKGSVWRETRK-NSHDSACASA-N 1 3 286.420 -0.195 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCOCCOC)N(C)C ZINC001133962065 814330014 /nfs/dbraw/zinc/33/00/14/814330014.db2.gz BLETYYOFUYFCRJ-LBPRGKRZSA-N 1 3 275.393 -0.305 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001133966189 814331007 /nfs/dbraw/zinc/33/10/07/814331007.db2.gz WXBXLSKZTHOPJN-NEPJUHHUSA-N 1 3 294.403 -0.189 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCn1cccn1)N(C)C ZINC001133965602 814331197 /nfs/dbraw/zinc/33/11/97/814331197.db2.gz ASBYLKCEIIMGDZ-LBPRGKRZSA-N 1 3 267.377 -0.071 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001133965826 814331534 /nfs/dbraw/zinc/33/15/34/814331534.db2.gz LJHMLWGSWSWXTB-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001134613062 814398897 /nfs/dbraw/zinc/39/88/97/814398897.db2.gz RWMVQNPKAJSHIB-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780331 814413323 /nfs/dbraw/zinc/41/33/23/814413323.db2.gz AXRHACFIHBULDW-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001159931611 815605748 /nfs/dbraw/zinc/60/57/48/815605748.db2.gz GTTXOLUTOQNUGQ-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997570 815605767 /nfs/dbraw/zinc/60/57/67/815605767.db2.gz SFFQLEQHFBNMMM-ZDUSSCGKSA-N 1 3 287.404 -0.426 20 0 CBADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1COCN1 ZINC001159929999 815605850 /nfs/dbraw/zinc/60/58/50/815605850.db2.gz OCVHGVAKJOONFJ-RWMBFGLXSA-N 1 3 282.388 -0.831 20 0 CBADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1COCN1 ZINC001159929999 815605855 /nfs/dbraw/zinc/60/58/55/815605855.db2.gz OCVHGVAKJOONFJ-RWMBFGLXSA-N 1 3 282.388 -0.831 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932555 815606067 /nfs/dbraw/zinc/60/60/67/815606067.db2.gz RUOXUZQDXZSWFV-PWSUYJOCSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H]1CCNC1=O)C(C)C ZINC001135477991 814477515 /nfs/dbraw/zinc/47/75/15/814477515.db2.gz SMSQDMTWKGGPCK-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(N)=O)C(C)C ZINC001135477823 814477647 /nfs/dbraw/zinc/47/76/47/814477647.db2.gz PUYBRXPWLRSGOS-LBPRGKRZSA-N 1 3 272.393 -0.456 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001135510798 814479767 /nfs/dbraw/zinc/47/97/67/814479767.db2.gz FRXFSHLRRDBTBO-UHFFFAOYSA-N 1 3 267.377 -0.069 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001135511669 814481278 /nfs/dbraw/zinc/48/12/78/814481278.db2.gz YEJBRCJNHDTMIX-UHFFFAOYSA-N 1 3 285.392 -0.941 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001135511136 814481506 /nfs/dbraw/zinc/48/15/06/814481506.db2.gz JSTYCUNJDOELNX-UHFFFAOYSA-N 1 3 296.419 -0.057 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001135510902 814481435 /nfs/dbraw/zinc/48/14/35/814481435.db2.gz IAHWEAIANLNZIS-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001160427428 815619228 /nfs/dbraw/zinc/61/92/28/815619228.db2.gz RELQQBQIUPKGSD-QWRGUYRKSA-N 1 3 272.393 -0.458 20 0 CBADHO CN1CCN(CCC(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC001143238038 814766059 /nfs/dbraw/zinc/76/60/59/814766059.db2.gz VTIOCMXPKDOBBV-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CN1CCN(CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001143238038 814766063 /nfs/dbraw/zinc/76/60/63/814766063.db2.gz VTIOCMXPKDOBBV-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)C(=O)N(C)C ZINC001143285707 814768254 /nfs/dbraw/zinc/76/82/54/814768254.db2.gz XGSRZEOOTIWYBT-UHFFFAOYSA-N 1 3 257.338 -0.862 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146595282 814841326 /nfs/dbraw/zinc/84/13/26/814841326.db2.gz YFEWQFUSQVUCRO-MNOVXSKESA-N 1 3 272.393 -0.315 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146710227 814843607 /nfs/dbraw/zinc/84/36/07/814843607.db2.gz GQKZDNMACXYAHL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146710227 814843611 /nfs/dbraw/zinc/84/36/11/814843611.db2.gz GQKZDNMACXYAHL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001146710766 814844164 /nfs/dbraw/zinc/84/41/64/814844164.db2.gz MWLQWQBQCZWCQV-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001146710766 814844166 /nfs/dbraw/zinc/84/41/66/814844166.db2.gz MWLQWQBQCZWCQV-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO Cc1c(C(=O)N(CCCC[NH3+])C(=N)N)cnn1C ZINC001147470999 814895091 /nfs/dbraw/zinc/89/50/91/814895091.db2.gz QXCNYOZUZZNZBH-UHFFFAOYSA-N 1 3 252.322 -0.197 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc(=O)cco1 ZINC001147612728 814903957 /nfs/dbraw/zinc/90/39/57/814903957.db2.gz DVWHYJQOQWVIOP-UHFFFAOYSA-N 1 3 252.274 -0.286 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001147885463 814921805 /nfs/dbraw/zinc/92/18/05/814921805.db2.gz MJLBRLMKCCKLKQ-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001147885463 814921811 /nfs/dbraw/zinc/92/18/11/814921811.db2.gz MJLBRLMKCCKLKQ-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878092 814921830 /nfs/dbraw/zinc/92/18/30/814921830.db2.gz RPVRHGVLDWNMBQ-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878092 814921837 /nfs/dbraw/zinc/92/18/37/814921837.db2.gz RPVRHGVLDWNMBQ-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877566 814923088 /nfs/dbraw/zinc/92/30/88/814923088.db2.gz LQTZWKVSJOBZCL-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877566 814923090 /nfs/dbraw/zinc/92/30/90/814923090.db2.gz LQTZWKVSJOBZCL-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO COCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C1CCN(C)CC1 ZINC001160441308 815622105 /nfs/dbraw/zinc/62/21/05/815622105.db2.gz WBKRRMYCTVRFGE-STQMWFEESA-N 1 3 285.388 -0.864 20 0 CBADHO COCCN(C(=O)[C@@H]1CC[NH2+]1)C1CCN(C)CC1 ZINC001160440682 815622414 /nfs/dbraw/zinc/62/24/14/815622414.db2.gz SBJOSESHLJULGF-LBPRGKRZSA-N 1 3 255.362 -0.083 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N(CCO)Cc1cccs1 ZINC001160443478 815622356 /nfs/dbraw/zinc/62/23/56/815622356.db2.gz KXLHSXCHFVVFTG-LBPRGKRZSA-N 1 3 295.408 -0.122 20 0 CBADHO N[C@H](C(=O)N1CCC2(C1)OCCO2)C1CC[NH2+]CC1 ZINC001160471268 815626549 /nfs/dbraw/zinc/62/65/49/815626549.db2.gz TZKHHZRDTKTBPB-NSHDSACASA-N 1 3 269.345 -0.711 20 0 CBADHO Cc1cc(CN(C)C(=O)[C@H](N)CCC[NH3+])n(C)n1 ZINC001160475074 815626996 /nfs/dbraw/zinc/62/69/96/815626996.db2.gz MKVHHGBNNYZWJQ-LLVKDONJSA-N 1 3 253.350 -0.247 20 0 CBADHO NCc1cc(N[C@]2(C[NH3+])CN3CCC2CC3)ncn1 ZINC001160510373 815631737 /nfs/dbraw/zinc/63/17/37/815631737.db2.gz HTHUBYVJAVQQEM-CYBMUJFWSA-N 1 3 262.361 -0.230 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CCC([NH3+])CC2)C1=O ZINC001160513668 815632483 /nfs/dbraw/zinc/63/24/83/815632483.db2.gz ILXXUSVAEWFCCY-NSHDSACASA-N 1 3 268.361 -0.724 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC001160515813 815633339 /nfs/dbraw/zinc/63/33/39/815633339.db2.gz VUWMRYQNYMBFJS-LBPRGKRZSA-N 1 3 270.377 -0.430 20 0 CBADHO CC[NH+]1CCC(N(C)C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001160538318 815634556 /nfs/dbraw/zinc/63/45/56/815634556.db2.gz VXMQZOIKPFPKDL-CYBMUJFWSA-N 1 3 296.415 -0.741 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC12COC2 ZINC001160542448 815635223 /nfs/dbraw/zinc/63/52/23/815635223.db2.gz XAFJAKYJOMAJOO-JTQLQIEISA-N 1 3 251.330 -0.813 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160558848 815637667 /nfs/dbraw/zinc/63/76/67/815637667.db2.gz XGMXQQKHKZECQS-SNVBAGLBSA-N 1 3 251.334 -0.629 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CCC(=O)O2)CC1 ZINC001160576102 815639780 /nfs/dbraw/zinc/63/97/80/815639780.db2.gz PAARFDWZIBLWEM-NSHDSACASA-N 1 3 293.367 -0.506 20 0 CBADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160583427 815641238 /nfs/dbraw/zinc/64/12/38/815641238.db2.gz XXUBGAAMNVECQT-VXGBXAGGSA-N 1 3 295.383 -0.260 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](CCO)C1 ZINC001160610470 815645570 /nfs/dbraw/zinc/64/55/70/815645570.db2.gz DCMRVCHMCRZMAD-NWDGAFQWSA-N 1 3 267.373 -0.584 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638694 815649567 /nfs/dbraw/zinc/64/95/67/815649567.db2.gz XYMOUBHTBQGRFF-QWHCGFSZSA-N 1 3 292.387 -0.232 20 0 CBADHO CO[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160647251 815651765 /nfs/dbraw/zinc/65/17/65/815651765.db2.gz CWAYLZWJWTZBLS-ZJUUUORDSA-N 1 3 261.391 -0.357 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647199 815651791 /nfs/dbraw/zinc/65/17/91/815651791.db2.gz AMLMHTYYBMBNOY-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)C[C@H]1O ZINC001160652582 815653289 /nfs/dbraw/zinc/65/32/89/815653289.db2.gz HIEJVOAMYDLUJW-QCLAVDOMSA-N 1 3 295.305 -0.163 20 0 CBADHO CC1(C)CN(C2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)CCO1 ZINC001160663482 815654527 /nfs/dbraw/zinc/65/45/27/815654527.db2.gz ORFNKYBJLUYHOY-ZDUSSCGKSA-N 1 3 298.431 -0.236 20 0 CBADHO CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160681189 815655191 /nfs/dbraw/zinc/65/51/91/815655191.db2.gz WVJVRAOPVYLHEZ-NSHDSACASA-N 1 3 297.399 -0.014 20 0 CBADHO CC(C)[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160669926 815655880 /nfs/dbraw/zinc/65/58/80/815655880.db2.gz OJBHBFDRZSEFIO-VXGBXAGGSA-N 1 3 267.373 -0.321 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160683592 815657021 /nfs/dbraw/zinc/65/70/21/815657021.db2.gz OEMZQMIGWWULND-GFCCVEGCSA-N 1 3 271.361 -0.465 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688730 815657393 /nfs/dbraw/zinc/65/73/93/815657393.db2.gz GBDHVFBNAYITOV-NWDGAFQWSA-N 1 3 289.383 -0.075 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CC[S@](C)=O ZINC001160694358 815659241 /nfs/dbraw/zinc/65/92/41/815659241.db2.gz ABUMKICHHGKSRC-DDBGAENHSA-N 1 3 275.418 -0.460 20 0 CBADHO CCN(CCn1cccn1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160694509 815659379 /nfs/dbraw/zinc/65/93/79/815659379.db2.gz WVUZWSWZLCCMBS-UKRRQHHQSA-N 1 3 291.399 -0.069 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160704332 815660267 /nfs/dbraw/zinc/66/02/67/815660267.db2.gz JPHWWDVLNGTIQC-LOWVWBTDSA-N 1 3 277.372 -0.690 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160704332 815660271 /nfs/dbraw/zinc/66/02/71/815660271.db2.gz JPHWWDVLNGTIQC-LOWVWBTDSA-N 1 3 277.372 -0.690 20 0 CBADHO Cn1cnnc1C1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160705288 815661911 /nfs/dbraw/zinc/66/19/11/815661911.db2.gz MMNJCVLQIURUQI-LBPRGKRZSA-N 1 3 294.403 -0.023 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705273 815662387 /nfs/dbraw/zinc/66/23/87/815662387.db2.gz MBYRZHXLQDULGD-BDAKNGLRSA-N 1 3 293.289 -0.415 20 0 CBADHO CCN(CC(C)(C)O)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160755368 815666658 /nfs/dbraw/zinc/66/66/58/815666658.db2.gz GMKCMFZKQXIMRZ-JTQLQIEISA-N 1 3 255.362 -0.585 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2nccn2CC1 ZINC001160760514 815669399 /nfs/dbraw/zinc/66/93/99/815669399.db2.gz OCVUKDQGSBWIQI-LLVKDONJSA-N 1 3 275.356 -0.923 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766862 815670811 /nfs/dbraw/zinc/67/08/11/815670811.db2.gz XKTJTXKBOZBPHJ-XSPKLOCKSA-N 1 3 281.278 -0.017 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160786766 815672026 /nfs/dbraw/zinc/67/20/26/815672026.db2.gz IBLLWGFJIXYECC-VXGBXAGGSA-N 1 3 297.374 -0.085 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001160839385 815676651 /nfs/dbraw/zinc/67/66/51/815676651.db2.gz PHKYGMZSCDVFEQ-WCQYABFASA-N 1 3 255.362 -0.225 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CCn1cncn1)N(C)C ZINC001160890003 815684922 /nfs/dbraw/zinc/68/49/22/815684922.db2.gz SJRFRGAJFZMCDY-GFCCVEGCSA-N 1 3 282.392 -0.286 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001160890164 815685564 /nfs/dbraw/zinc/68/55/64/815685564.db2.gz XIIZBARFQYSZAW-WDEREUQCSA-N 1 3 272.393 -0.314 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890220 815685900 /nfs/dbraw/zinc/68/59/00/815685900.db2.gz IHJAKYQTTMOISI-GFCCVEGCSA-N 1 3 293.371 -0.087 20 0 CBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160902586 815686689 /nfs/dbraw/zinc/68/66/89/815686689.db2.gz UDGJPIMYOADIKH-SECBINFHSA-N 1 3 295.343 -0.922 20 0 CBADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001160965760 815691368 /nfs/dbraw/zinc/69/13/68/815691368.db2.gz YEXDMWNYLXYDQS-JTNHKYCSSA-N 1 3 297.403 -0.828 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007478 815694657 /nfs/dbraw/zinc/69/46/57/815694657.db2.gz KCPBKYHPFQGRDR-IUCAKERBSA-N 1 3 277.315 -0.316 20 0 CBADHO CC(=O)[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161037962 815701659 /nfs/dbraw/zinc/70/16/59/815701659.db2.gz CEJFHZQSCJGEHL-VXGBXAGGSA-N 1 3 253.346 -0.249 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@@H]21 ZINC001161081349 815708869 /nfs/dbraw/zinc/70/88/69/815708869.db2.gz ITJSUPIDGDNUIN-DRZSPHRISA-N 1 3 277.372 -0.168 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@@H]21 ZINC001161081349 815708872 /nfs/dbraw/zinc/70/88/72/815708872.db2.gz ITJSUPIDGDNUIN-DRZSPHRISA-N 1 3 277.372 -0.168 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001161081028 815708954 /nfs/dbraw/zinc/70/89/54/815708954.db2.gz CJYBHJABNMPZCX-NOOOWODRSA-N 1 3 252.362 -0.914 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@@H]21 ZINC001161081353 815709065 /nfs/dbraw/zinc/70/90/65/815709065.db2.gz ITJSUPIDGDNUIN-RTXFEEFZSA-N 1 3 277.372 -0.168 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@@H]21 ZINC001161081353 815709067 /nfs/dbraw/zinc/70/90/67/815709067.db2.gz ITJSUPIDGDNUIN-RTXFEEFZSA-N 1 3 277.372 -0.168 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]21 ZINC001161081136 815709854 /nfs/dbraw/zinc/70/98/54/815709854.db2.gz FSLCARNIYHQSLC-YRGRVCCFSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001161081877 815711273 /nfs/dbraw/zinc/71/12/73/815711273.db2.gz MHOPJWZWXQOMBP-IRCOFANPSA-N 1 3 253.346 -0.738 20 0 CBADHO CN(CCO)C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161107174 815715768 /nfs/dbraw/zinc/71/57/68/815715768.db2.gz BIFLPVYZMHZNPW-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001161107174 815715772 /nfs/dbraw/zinc/71/57/72/815715772.db2.gz BIFLPVYZMHZNPW-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001161107174 815715775 /nfs/dbraw/zinc/71/57/75/815715775.db2.gz BIFLPVYZMHZNPW-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161129437 815717507 /nfs/dbraw/zinc/71/75/07/815717507.db2.gz FTOYEJJQXCJBJM-KGLIPLIRSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161129441 815717671 /nfs/dbraw/zinc/71/76/71/815717671.db2.gz FTOYEJJQXCJBJM-ZIAGYGMSSA-N 1 3 296.415 -0.217 20 0 CBADHO NC[C@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205902 815728025 /nfs/dbraw/zinc/72/80/25/815728025.db2.gz UBDABIKSNLMGSW-LBPRGKRZSA-N 1 3 254.378 -0.489 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220490 815728806 /nfs/dbraw/zinc/72/88/06/815728806.db2.gz ZGFZAOUDAHEVGS-SRRSOLGSSA-N 1 3 297.399 -0.018 20 0 CBADHO CN(C(=O)[C@H](N)CCC[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161219368 815728993 /nfs/dbraw/zinc/72/89/93/815728993.db2.gz PMBOTIBYJXVRBV-GHMZBOCLSA-N 1 3 271.361 -0.193 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC ZINC001161226254 815730363 /nfs/dbraw/zinc/73/03/63/815730363.db2.gz ABNGYOFLSKHCRN-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234317 815730852 /nfs/dbraw/zinc/73/08/52/815730852.db2.gz AMOXGGXWEKMQKA-NEPJUHHUSA-N 1 3 290.371 -0.749 20 0 CBADHO C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H](C)CO1 ZINC001161235404 815731613 /nfs/dbraw/zinc/73/16/13/815731613.db2.gz PZCWNDDWNUPRGI-FMCLSXCISA-N 1 3 267.373 -0.179 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161235258 815731654 /nfs/dbraw/zinc/73/16/54/815731654.db2.gz PBEDEIAPXXBJKZ-QWRGUYRKSA-N 1 3 298.416 -0.539 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251520 815734370 /nfs/dbraw/zinc/73/43/70/815734370.db2.gz QZHISOPTURBDCV-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161270340 815735714 /nfs/dbraw/zinc/73/57/14/815735714.db2.gz MXSUMKPGPDESQO-OLZOCXBDSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)N(C(=O)[C@@H](N)CC[S@@](C)=O)[C@H]1CC[NH2+]C1 ZINC001161352516 815746430 /nfs/dbraw/zinc/74/64/30/815746430.db2.gz CENGVYKQHQYJFF-LDLUMPKVSA-N 1 3 275.418 -0.319 20 0 CBADHO CCN(C(=O)[C@@H]1CNCCN1C)[C@H]1CCC[NH2+]C1 ZINC001161340255 815746436 /nfs/dbraw/zinc/74/64/36/815746436.db2.gz QEBNFDYWDHTDAD-RYUDHWBXSA-N 1 3 254.378 -0.510 20 0 CBADHO CCN(C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@H]1CCC[NH2+]C1 ZINC001161340247 815746456 /nfs/dbraw/zinc/74/64/56/815746456.db2.gz QDWQZMFDZOSNIP-DCAQKATOSA-N 1 3 270.377 -0.561 20 0 CBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161373384 815747471 /nfs/dbraw/zinc/74/74/71/815747471.db2.gz PYGBCROARWVPDP-GWCFXTLKSA-N 1 3 287.360 -0.767 20 0 CBADHO NC1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001161381164 815748735 /nfs/dbraw/zinc/74/87/35/815748735.db2.gz NZVRXCDYIWFXKM-LLVKDONJSA-N 1 3 253.346 -0.199 20 0 CBADHO N=c1ncc(C[NH3+])cn1-c1nc(Cl)nc2c1CNCC2 ZINC001161415039 815752897 /nfs/dbraw/zinc/75/28/97/815752897.db2.gz LXAODIRVLKLZGZ-UHFFFAOYSA-N 1 3 291.746 -0.100 20 0 CBADHO N[C@H](C(=O)N1CC(=O)NC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC001161416019 815753001 /nfs/dbraw/zinc/75/30/01/815753001.db2.gz CPHHUJVVLFZGRD-ZDUSSCGKSA-N 1 3 294.399 -0.416 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC001161414333 815753433 /nfs/dbraw/zinc/75/34/33/815753433.db2.gz VCQYMFJEBGHDJJ-LPWJVIDDSA-N 1 3 294.399 -0.478 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416799 815753596 /nfs/dbraw/zinc/75/35/96/815753596.db2.gz KPUGNHHLJBGBBE-JTQLQIEISA-N 1 3 268.361 -0.676 20 0 CBADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161488737 815759675 /nfs/dbraw/zinc/75/96/75/815759675.db2.gz FOEVFFULVFZSPR-MFKMUULPSA-N 1 3 285.392 -0.650 20 0 CBADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161488738 815760236 /nfs/dbraw/zinc/76/02/36/815760236.db2.gz FOEVFFULVFZSPR-ZWNOBZJWSA-N 1 3 285.392 -0.650 20 0 CBADHO C[C@@]1(C[NH3+])CCCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001161489820 815761394 /nfs/dbraw/zinc/76/13/94/815761394.db2.gz WVWPBWKYUIUUBD-WFASDCNBSA-N 1 3 296.415 -0.086 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161507760 815765032 /nfs/dbraw/zinc/76/50/32/815765032.db2.gz ABBUCKIXJUPMPR-QWRGUYRKSA-N 1 3 253.346 -0.310 20 0 CBADHO NC(C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C(F)(F)F ZINC001161511091 815765293 /nfs/dbraw/zinc/76/52/93/815765293.db2.gz WJGVDWGHBQKRIJ-NTSWFWBYSA-N 1 3 253.224 -0.938 20 0 CBADHO Cc1nc2c(o1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001161523486 815765917 /nfs/dbraw/zinc/76/59/17/815765917.db2.gz MTLFOHWBEYHWNL-SNVBAGLBSA-N 1 3 276.340 -0.323 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530112 815767932 /nfs/dbraw/zinc/76/79/32/815767932.db2.gz SGMNFQWDYJSRCN-RHYQMDGZSA-N 1 3 284.404 -0.187 20 0 CBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161567663 815772193 /nfs/dbraw/zinc/77/21/93/815772193.db2.gz ZOTBOZDHADDPNP-MNOVXSKESA-N 1 3 287.360 -0.767 20 0 CBADHO NC[C@H](N)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161583147 815773663 /nfs/dbraw/zinc/77/36/63/815773663.db2.gz TWOXOPHKZLLYHA-AWEZNQCLSA-N 1 3 288.395 -0.064 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001293078873 816501980 /nfs/dbraw/zinc/50/19/80/816501980.db2.gz DNHCZMHMMVCKOT-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CN(CCCNC(=O)CC[NH+](C)C)[C@H]1CCCNC1=O ZINC001316846309 816891735 /nfs/dbraw/zinc/89/17/35/816891735.db2.gz YFTDRDARFARUJS-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001317246670 816949678 /nfs/dbraw/zinc/94/96/78/816949678.db2.gz WYMJZVPIVIFUBY-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001317283278 816958153 /nfs/dbraw/zinc/95/81/53/816958153.db2.gz MLZUZRPZSPGRKI-VHSXEESVSA-N 1 3 258.366 -0.833 20 0 CBADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317290112 816958807 /nfs/dbraw/zinc/95/88/07/816958807.db2.gz ONZABFQCPICTFY-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317290112 816958811 /nfs/dbraw/zinc/95/88/11/816958811.db2.gz ONZABFQCPICTFY-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCCN1C ZINC001317574083 817017398 /nfs/dbraw/zinc/01/73/98/817017398.db2.gz UIHUQUKXQXMYNE-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318168800 817082844 /nfs/dbraw/zinc/08/28/44/817082844.db2.gz IVSKVMLPAKIFRN-RYUDHWBXSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318168800 817082850 /nfs/dbraw/zinc/08/28/50/817082850.db2.gz IVSKVMLPAKIFRN-RYUDHWBXSA-N 1 3 269.389 -0.243 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]C[C@H](C)O ZINC001319272132 817185295 /nfs/dbraw/zinc/18/52/95/817185295.db2.gz QFRCUSKPNPUERM-ZJUUUORDSA-N 1 3 268.361 -0.017 20 0 CBADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001320550980 817354511 /nfs/dbraw/zinc/35/45/11/817354511.db2.gz YREVUFCEYBBIRA-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001321083115 817439703 /nfs/dbraw/zinc/43/97/03/817439703.db2.gz HEDGQVVJJNZSBA-DIABFLQPSA-N 1 3 296.415 -0.003 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001321083115 817439707 /nfs/dbraw/zinc/43/97/07/817439707.db2.gz HEDGQVVJJNZSBA-DIABFLQPSA-N 1 3 296.415 -0.003 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C)C1 ZINC001321251098 817468789 /nfs/dbraw/zinc/46/87/89/817468789.db2.gz QPNFNXRKWQTELG-IHVVCDCBSA-N 1 3 296.415 -0.322 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C)C1 ZINC001321251098 817468793 /nfs/dbraw/zinc/46/87/93/817468793.db2.gz QPNFNXRKWQTELG-IHVVCDCBSA-N 1 3 296.415 -0.322 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001253216099 825906642 /nfs/dbraw/zinc/90/66/42/825906642.db2.gz HTPAZVGUSZGFDK-NDBYEHHHSA-N 1 3 260.378 -0.447 20 0 CBADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001163822086 819854527 /nfs/dbraw/zinc/85/45/27/819854527.db2.gz RTASLVNNKIDFAS-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163820212 819854593 /nfs/dbraw/zinc/85/45/93/819854593.db2.gz DTIQKBICNQEWBI-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO c1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc2c1CNCC2 ZINC001165288227 819948933 /nfs/dbraw/zinc/94/89/33/819948933.db2.gz HJIKITKXGDFEDO-BXUZGUMPSA-N 1 3 289.383 -0.063 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001166010637 819990217 /nfs/dbraw/zinc/99/02/17/819990217.db2.gz RELQQBQIUPKGSD-WDEREUQCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCOCCO)N(C)C ZINC001166010937 819990580 /nfs/dbraw/zinc/99/05/80/819990580.db2.gz WHAIAKIGUBOPKN-CYBMUJFWSA-N 1 3 289.420 -0.323 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(N)=O ZINC001166634151 820008569 /nfs/dbraw/zinc/00/85/69/820008569.db2.gz PPZPZHBLKCSDGQ-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627177 820009334 /nfs/dbraw/zinc/00/93/34/820009334.db2.gz RNHLNXKYTXYUTC-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166626462 820010926 /nfs/dbraw/zinc/01/09/26/820010926.db2.gz GTVUJBJUUCRWRR-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678135 820013109 /nfs/dbraw/zinc/01/31/09/820013109.db2.gz SWAWYXZQWSGAAD-QWHCGFSZSA-N 1 3 287.404 -0.569 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678458 820015584 /nfs/dbraw/zinc/01/55/84/820015584.db2.gz VOBFFLPUJUYUHJ-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001166678516 820016390 /nfs/dbraw/zinc/01/63/90/820016390.db2.gz WAJOAFPCXOWWHH-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678455 820016443 /nfs/dbraw/zinc/01/64/43/820016443.db2.gz VOBFFLPUJUYUHJ-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166857730 820042101 /nfs/dbraw/zinc/04/21/01/820042101.db2.gz ILLWELKRHKPNGV-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167224403 820074036 /nfs/dbraw/zinc/07/40/36/820074036.db2.gz IOEPEACDZWLBTG-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001168755722 820176713 /nfs/dbraw/zinc/17/67/13/820176713.db2.gz QWHYJMZOWBKDQA-LBPRGKRZSA-N 1 3 275.393 -0.569 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1ccc2c(n1)OCCNC2 ZINC001168985693 820198597 /nfs/dbraw/zinc/19/85/97/820198597.db2.gz PISCBVJBBGOEMP-UHFFFAOYSA-N 1 3 274.328 -0.046 20 0 CBADHO NCc1cnnn1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001169312025 820227681 /nfs/dbraw/zinc/22/76/81/820227681.db2.gz YJFWWFXCYBMEPD-SECBINFHSA-N 1 3 284.327 -0.154 20 0 CBADHO C[C@H](Nc1ncc2c(n1)CNCC2)[C@@H]1C[NH2+]CCO1 ZINC001170566147 820305370 /nfs/dbraw/zinc/30/53/70/820305370.db2.gz XIEVDCIJMRTKFB-CABZTGNLSA-N 1 3 263.345 -0.089 20 0 CBADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc2c(n1)OCCNC2 ZINC001170772712 820317137 /nfs/dbraw/zinc/31/71/37/820317137.db2.gz DJLNBYJZBNIFRM-WDEREUQCSA-N 1 3 264.329 -0.444 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1cccnc1OC1CNC1 ZINC001170996651 820343413 /nfs/dbraw/zinc/34/34/13/820343413.db2.gz XWCKULQGDYHFNL-UHFFFAOYSA-N 1 3 294.355 -0.240 20 0 CBADHO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)C(N)=O ZINC001172108553 820382774 /nfs/dbraw/zinc/38/27/74/820382774.db2.gz BGYFCZHWVVCVEU-PJSNJIKXSA-N 1 3 296.415 -0.030 20 0 CBADHO COCCCN1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001172244758 820392770 /nfs/dbraw/zinc/39/27/70/820392770.db2.gz XHNQOMADQZKFFW-UHFFFAOYSA-N 1 3 279.406 -0.635 20 0 CBADHO COCCCN1CCC(N(C)S(=O)(=O)CC[NH3+])CC1 ZINC001172244615 820393628 /nfs/dbraw/zinc/39/36/28/820393628.db2.gz VYDJDJQENYEHQD-UHFFFAOYSA-N 1 3 293.433 -0.292 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176971504 820484321 /nfs/dbraw/zinc/48/43/21/820484321.db2.gz AJBDGZTZMQRKRP-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980528 820484398 /nfs/dbraw/zinc/48/43/98/820484398.db2.gz IXYYISDQBLNTIP-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001176986369 820484911 /nfs/dbraw/zinc/48/49/11/820484911.db2.gz LXTLQKDUROQENI-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176974799 820485032 /nfs/dbraw/zinc/48/50/32/820485032.db2.gz AYQCHWOSGKGXCH-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972270 820485515 /nfs/dbraw/zinc/48/55/15/820485515.db2.gz UGJWPODIWBSZAE-LBPRGKRZSA-N 1 3 275.393 -0.570 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356112 820576587 /nfs/dbraw/zinc/57/65/87/820576587.db2.gz IDFIBRJZRMZGSP-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435083 820627235 /nfs/dbraw/zinc/62/72/35/820627235.db2.gz ITNRLKKMJSFJBG-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CC[NH+](C)C ZINC001179486885 820629792 /nfs/dbraw/zinc/62/97/92/820629792.db2.gz UBTJHHUVTVCWAG-RWMBFGLXSA-N 1 3 296.415 -0.252 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124544 820650715 /nfs/dbraw/zinc/65/07/15/820650715.db2.gz IMVWINJSNSFMFO-TUAOUCFPSA-N 1 3 282.388 -0.737 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124544 820650720 /nfs/dbraw/zinc/65/07/20/820650720.db2.gz IMVWINJSNSFMFO-TUAOUCFPSA-N 1 3 282.388 -0.737 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001180226844 820655077 /nfs/dbraw/zinc/65/50/77/820655077.db2.gz OVWZGSCCRTZPSQ-WOPDTQHZSA-N 1 3 284.404 -0.221 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001180226998 820655133 /nfs/dbraw/zinc/65/51/33/820655133.db2.gz XEGFFZDZBABGIZ-RYUDHWBXSA-N 1 3 257.378 -0.102 20 0 CBADHO CN1N=C(C(=O)N(CCCC[NH3+])C(=N)N)CCC1=O ZINC001180443293 820679360 /nfs/dbraw/zinc/67/93/60/820679360.db2.gz AJMYBCDLLCQMTG-UHFFFAOYSA-N 1 3 268.321 -0.944 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001181704987 820815823 /nfs/dbraw/zinc/81/58/23/820815823.db2.gz NQGWNEFYCADCPU-ZETCQYMHSA-N 1 3 252.278 -0.635 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(=O)[nH]n1 ZINC001181714503 820816345 /nfs/dbraw/zinc/81/63/45/820816345.db2.gz JDXBYKXFJKAFQE-SECBINFHSA-N 1 3 280.332 -0.033 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182964595 820957172 /nfs/dbraw/zinc/95/71/72/820957172.db2.gz MIBYVVCHAQIBHC-GHMZBOCLSA-N 1 3 288.367 -0.658 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268854 820986134 /nfs/dbraw/zinc/98/61/34/820986134.db2.gz YWGHWBIZANOMDR-YPMHNXCESA-N 1 3 282.388 -0.737 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001183379195 820993083 /nfs/dbraw/zinc/99/30/83/820993083.db2.gz FVKZSOOCIWQYNF-TXEJJXNPSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001183581504 821007253 /nfs/dbraw/zinc/00/72/53/821007253.db2.gz LDKFONCWFIOSNH-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001183759571 821032630 /nfs/dbraw/zinc/03/26/30/821032630.db2.gz MLXZSJNROOBNEF-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001183759571 821032633 /nfs/dbraw/zinc/03/26/33/821032633.db2.gz MLXZSJNROOBNEF-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001183758992 821033018 /nfs/dbraw/zinc/03/30/18/821033018.db2.gz DIGHZXITJVLPFO-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001183758992 821033029 /nfs/dbraw/zinc/03/30/29/821033029.db2.gz DIGHZXITJVLPFO-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(CO)COC1 ZINC001184047804 821050568 /nfs/dbraw/zinc/05/05/68/821050568.db2.gz GSRHUIKRKIVJRD-UHFFFAOYSA-N 1 3 272.349 -0.941 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185238158 821103408 /nfs/dbraw/zinc/10/34/08/821103408.db2.gz BAJHSVWRJJFHMC-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185202621 821104102 /nfs/dbraw/zinc/10/41/02/821104102.db2.gz AULJNNLEOQDTAK-GHMZBOCLSA-N 1 3 293.371 -0.488 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248248 821109893 /nfs/dbraw/zinc/10/98/93/821109893.db2.gz AFNXMHNLMSDQND-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001185264115 821117220 /nfs/dbraw/zinc/11/72/20/821117220.db2.gz AMJDGYPJUBNQEB-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185266066 821119033 /nfs/dbraw/zinc/11/90/33/821119033.db2.gz ZASGCOHVSSUYJI-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265997 821119517 /nfs/dbraw/zinc/11/95/17/821119517.db2.gz WPKALZWSCIMBJJ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384330 821127017 /nfs/dbraw/zinc/12/70/17/821127017.db2.gz BNHIORMVQLEVJS-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001185407962 821128508 /nfs/dbraw/zinc/12/85/08/821128508.db2.gz IFRMGIZUDZHHNC-MNOVXSKESA-N 1 3 268.361 -0.983 20 0 CBADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407756 821129308 /nfs/dbraw/zinc/12/93/08/821129308.db2.gz ALZAWANQOUXPQD-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001185650717 821136363 /nfs/dbraw/zinc/13/63/63/821136363.db2.gz LZQOLJGFLVINHK-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001185650717 821136369 /nfs/dbraw/zinc/13/63/69/821136369.db2.gz LZQOLJGFLVINHK-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001186451751 821182736 /nfs/dbraw/zinc/18/27/36/821182736.db2.gz IUIUJSLYYOLVHB-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186496327 821184220 /nfs/dbraw/zinc/18/42/20/821184220.db2.gz DVPWCPIYZUQKTQ-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186824743 821199432 /nfs/dbraw/zinc/19/94/32/821199432.db2.gz JRRWQUCRCXXLPD-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186824743 821199437 /nfs/dbraw/zinc/19/94/37/821199437.db2.gz JRRWQUCRCXXLPD-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826076 822298171 /nfs/dbraw/zinc/29/81/71/822298171.db2.gz USHNAVUFIZQTKX-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826076 822298175 /nfs/dbraw/zinc/29/81/75/822298175.db2.gz USHNAVUFIZQTKX-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842059 822301006 /nfs/dbraw/zinc/30/10/06/822301006.db2.gz JODRSALUBADQAM-CQSZACIVSA-N 1 3 299.415 -0.064 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCO ZINC001281449935 828416890 /nfs/dbraw/zinc/41/68/90/828416890.db2.gz FYJAFXMNMMDFSG-CMPLNLGQSA-N 1 3 266.345 -0.229 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281603410 828420653 /nfs/dbraw/zinc/42/06/53/828420653.db2.gz MOQNRAXLDSIAHU-LBPRGKRZSA-N 1 3 285.388 -0.984 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001281642431 828421569 /nfs/dbraw/zinc/42/15/69/828421569.db2.gz IVFSFIBUWBSYPR-GFCCVEGCSA-N 1 3 287.379 -0.149 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001281642431 828421575 /nfs/dbraw/zinc/42/15/75/828421575.db2.gz IVFSFIBUWBSYPR-GFCCVEGCSA-N 1 3 287.379 -0.149 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCO ZINC001282460824 828449508 /nfs/dbraw/zinc/44/95/08/828449508.db2.gz HAOXKYKMJWPGBS-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCO ZINC001282460824 828449511 /nfs/dbraw/zinc/44/95/11/828449511.db2.gz HAOXKYKMJWPGBS-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)N(C)C ZINC001283132684 828498459 /nfs/dbraw/zinc/49/84/59/828498459.db2.gz KWWNALZUYOOVMD-ZDUSSCGKSA-N 1 3 286.420 -0.243 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cn[nH]c(=O)c1 ZINC001191581605 823908011 /nfs/dbraw/zinc/90/80/11/823908011.db2.gz PHQDAXDQLYSXJT-UHFFFAOYSA-N 1 3 280.332 -0.140 20 0 CBADHO CCOc1c(C(=O)N(CCCC[NH3+])C(=N)N)cnn1C ZINC001194379240 824072914 /nfs/dbraw/zinc/07/29/14/824072914.db2.gz WMDCJSWWGVAKBE-UHFFFAOYSA-N 1 3 282.348 -0.107 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700386 824128035 /nfs/dbraw/zinc/12/80/35/824128035.db2.gz CWCVHQMHEVNCBT-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708461 824129066 /nfs/dbraw/zinc/12/90/66/824129066.db2.gz OLUUULXSUKEBPF-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO COC(=O)c1cc(C(=O)N(CCCC[NH3+])C(=N)N)ccn1 ZINC001197053862 824176456 /nfs/dbraw/zinc/17/64/56/824176456.db2.gz FPPRNFSPSNSUSO-UHFFFAOYSA-N 1 3 293.327 -0.057 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncn1CCF ZINC001198040535 824215379 /nfs/dbraw/zinc/21/53/79/824215379.db2.gz ZLSLHCISGKNLIB-UHFFFAOYSA-N 1 3 270.312 -0.073 20 0 CBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198663191 824235024 /nfs/dbraw/zinc/23/50/24/824235024.db2.gz ZHKPMVDEESNCCV-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198663191 824235028 /nfs/dbraw/zinc/23/50/28/824235028.db2.gz ZHKPMVDEESNCCV-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787739 824287179 /nfs/dbraw/zinc/28/71/79/824287179.db2.gz DAGJCOSOJGTXRQ-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788093 824287736 /nfs/dbraw/zinc/28/77/36/824287736.db2.gz LIFHVCYJKSHQPO-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201404316 824332432 /nfs/dbraw/zinc/33/24/32/824332432.db2.gz UMIXQRVCDSAKLD-KBPBESRZSA-N 1 3 299.415 -0.330 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201493535 824333131 /nfs/dbraw/zinc/33/31/31/824333131.db2.gz GCILQZIPSOZHNC-ZDUSSCGKSA-N 1 3 296.371 -0.458 20 0 CBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666946 824350682 /nfs/dbraw/zinc/35/06/82/824350682.db2.gz DSRJKMCHBUVNBP-CYBMUJFWSA-N 1 3 296.371 -0.460 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001202990763 824355686 /nfs/dbraw/zinc/35/56/86/824355686.db2.gz CSTSRYYODYYXAO-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203006407 824356848 /nfs/dbraw/zinc/35/68/48/824356848.db2.gz ZCKDGLBPUWROBK-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791235 824363204 /nfs/dbraw/zinc/36/32/04/824363204.db2.gz FOZVYBUUADLKTA-NEPJUHHUSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203925890 824363515 /nfs/dbraw/zinc/36/35/15/824363515.db2.gz XZELSQGHIFNAKO-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO [NH3+]C[C@H](O)Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001206019498 824391910 /nfs/dbraw/zinc/39/19/10/824391910.db2.gz PJVXTDVICMZLDX-SECBINFHSA-N 1 3 275.312 -0.361 20 0 CBADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206642150 824404564 /nfs/dbraw/zinc/40/45/64/824404564.db2.gz VCJSLSKIOMZLEX-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928769 824412913 /nfs/dbraw/zinc/41/29/13/824412913.db2.gz IOXUJCXKQFKEEZ-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688008 824434439 /nfs/dbraw/zinc/43/44/39/824434439.db2.gz KYECMCRLBMCKKT-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070077 824446141 /nfs/dbraw/zinc/44/61/41/824446141.db2.gz CMTHEZJPVRQMKA-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070077 824446142 /nfs/dbraw/zinc/44/61/42/824446142.db2.gz CMTHEZJPVRQMKA-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208337299 824450393 /nfs/dbraw/zinc/45/03/93/824450393.db2.gz IWLKKJMFMQYGAT-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434948 824453276 /nfs/dbraw/zinc/45/32/76/824453276.db2.gz KUYZOEJGWNUEAT-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209632141 824473880 /nfs/dbraw/zinc/47/38/80/824473880.db2.gz KGGYWLULCDOGAH-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210217515 824478171 /nfs/dbraw/zinc/47/81/71/824478171.db2.gz JRYHDLGDZZFZHX-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001211286484 824484172 /nfs/dbraw/zinc/48/41/72/824484172.db2.gz UWMKNSCSCKLNHF-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214335649 824528734 /nfs/dbraw/zinc/52/87/34/824528734.db2.gz FGOYQPNFTCZKKR-UPJWGTAASA-N 1 3 296.415 -0.395 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662050 824535684 /nfs/dbraw/zinc/53/56/84/824535684.db2.gz RMGCMTQRBWKJES-FDYHWXHSSA-N 1 3 296.415 -0.491 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662050 824535689 /nfs/dbraw/zinc/53/56/89/824535689.db2.gz RMGCMTQRBWKJES-FDYHWXHSSA-N 1 3 296.415 -0.491 20 0 CBADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215458725 824542026 /nfs/dbraw/zinc/54/20/26/824542026.db2.gz HIDCCCONDSAWIR-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456148 824542116 /nfs/dbraw/zinc/54/21/16/824542116.db2.gz PKJJPAOANKPJGE-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215463476 824542351 /nfs/dbraw/zinc/54/23/51/824542351.db2.gz YRZFIHDBLJBKLC-FRRDWIJNSA-N 1 3 298.431 -0.149 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001216001665 824544716 /nfs/dbraw/zinc/54/47/16/824544716.db2.gz HQIWXXSXWLHPEZ-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO C(OC[C@H]1CNCCO1)[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822090 824562802 /nfs/dbraw/zinc/56/28/02/824562802.db2.gz KGXBENBJLBDTGN-LOWDOPEQSA-N 1 3 256.346 -0.242 20 0 CBADHO O=C(Nc1cnc2c(c1)COCC2)[C@H]1C[NH2+]CC12CNC2 ZINC001218500450 824570130 /nfs/dbraw/zinc/57/01/30/824570130.db2.gz BDIWXMUJDFDAPE-GFCCVEGCSA-N 1 3 288.351 -0.098 20 0 CBADHO COc1nn(C)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218503487 824574024 /nfs/dbraw/zinc/57/40/24/824574024.db2.gz BIHCTASLYJTOFA-QMMMGPOBSA-N 1 3 265.317 -0.824 20 0 CBADHO Cn1nc2c(c1NC(=O)[C@H]1C[NH2+]CC13CNC3)CCC2 ZINC001218528196 824584212 /nfs/dbraw/zinc/58/42/12/824584212.db2.gz NFRWAGMEKFVFNY-SNVBAGLBSA-N 1 3 275.356 -0.344 20 0 CBADHO Cn1nc2c(c1NC(=O)[C@@H]1C[NH2+]CC13CNC3)CCC2 ZINC001218528195 824584436 /nfs/dbraw/zinc/58/44/36/824584436.db2.gz NFRWAGMEKFVFNY-JTQLQIEISA-N 1 3 275.356 -0.344 20 0 CBADHO N=c1scc(N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001218540762 824586734 /nfs/dbraw/zinc/58/67/34/824586734.db2.gz MCODYMHDOHEFBH-DGAHNEANSA-N 1 3 253.331 -0.527 20 0 CBADHO N=c1scc(N)n1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218539907 824587197 /nfs/dbraw/zinc/58/71/97/824587197.db2.gz AIAQJCJCEMNUAR-ZCFIWIBFSA-N 1 3 253.331 -0.940 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218549099 824588017 /nfs/dbraw/zinc/58/80/17/824588017.db2.gz FCUFFSBECKYPDY-ZETCQYMHSA-N 1 3 269.305 -0.409 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nonc1N ZINC001218543582 824589020 /nfs/dbraw/zinc/58/90/20/824589020.db2.gz XEXRASNBRHMZLS-ZETCQYMHSA-N 1 3 256.310 -0.351 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c[nH]nc1C(N)=O ZINC001218565020 824592779 /nfs/dbraw/zinc/59/27/79/824592779.db2.gz PQENGQDFHFFCRD-VIFPVBQESA-N 1 3 296.375 -0.057 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1noc2nccnc12 ZINC001218574295 824598023 /nfs/dbraw/zinc/59/80/23/824598023.db2.gz QGWHVLGKQZGVGF-LURJTMIESA-N 1 3 250.262 -0.378 20 0 CBADHO O=C(Nc1cnc2n[nH]cc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218614747 824603343 /nfs/dbraw/zinc/60/33/43/824603343.db2.gz NQWYLIYYOWFYRV-JTQLQIEISA-N 1 3 272.312 -0.295 20 0 CBADHO COC(=O)c1scnc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218624532 824606829 /nfs/dbraw/zinc/60/68/29/824606829.db2.gz LDKGRGSXOKJBNX-LURJTMIESA-N 1 3 272.330 -0.066 20 0 CBADHO Cc1ncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1C ZINC001218623717 824607838 /nfs/dbraw/zinc/60/78/38/824607838.db2.gz BBLMBJCDNBDQCB-JTQLQIEISA-N 1 3 261.329 -0.159 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640927 824612743 /nfs/dbraw/zinc/61/27/43/824612743.db2.gz NSPIZKIOGQYHIR-LBPRGKRZSA-N 1 3 289.343 -0.731 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H](N)CCC[NH3+] ZINC001218641900 824612809 /nfs/dbraw/zinc/61/28/09/824612809.db2.gz JRUDSXFGENKTFN-LURJTMIESA-N 1 3 272.740 -0.387 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218639912 824613005 /nfs/dbraw/zinc/61/30/05/824613005.db2.gz ISVJNSCRXJKCPF-ZETCQYMHSA-N 1 3 269.305 -0.491 20 0 CBADHO O=C(Nc1noc2cnccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218646415 824614338 /nfs/dbraw/zinc/61/43/38/824614338.db2.gz PSGUXNBTQZNDHT-SECBINFHSA-N 1 3 273.296 -0.030 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218652787 824615477 /nfs/dbraw/zinc/61/54/77/824615477.db2.gz QABIGFPRPVSSJQ-RXMQYKEDSA-N 1 3 258.713 -0.283 20 0 CBADHO Nc1cnc(Cl)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218673709 824620144 /nfs/dbraw/zinc/62/01/44/824620144.db2.gz BCSMBFNKVBIEFY-JMCQJSRRSA-N 1 3 296.762 -0.150 20 0 CBADHO CCOC(=O)c1ncncc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218679720 824621420 /nfs/dbraw/zinc/62/14/20/824621420.db2.gz VSLWHRFNOXXQLQ-MRVPVSSYSA-N 1 3 281.316 -0.342 20 0 CBADHO O=C(Nc1cc(Cl)ncc1CO)[C@H]1C[NH2+]CC12CNC2 ZINC001218692237 824622167 /nfs/dbraw/zinc/62/21/67/824622167.db2.gz DFLPCDUWRFJOCY-SECBINFHSA-N 1 3 296.758 -0.025 20 0 CBADHO O=C(Nc1cc(Cl)ncc1CO)[C@@H]1C[NH2+]CC12CNC2 ZINC001218692238 824622374 /nfs/dbraw/zinc/62/23/74/824622374.db2.gz DFLPCDUWRFJOCY-VIFPVBQESA-N 1 3 296.758 -0.025 20 0 CBADHO CCOc1cc(N)n(C(=O)[C@@H](N)CCCC[NH3+])c(=N)n1 ZINC001218681170 824622574 /nfs/dbraw/zinc/62/25/74/824622574.db2.gz QVJQVDUBGGEFTM-QMMMGPOBSA-N 1 3 282.348 -0.560 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218710261 824626241 /nfs/dbraw/zinc/62/62/41/824626241.db2.gz DLPMJDTZVYJHIO-HDBBIHSSSA-N 1 3 266.301 -0.240 20 0 CBADHO CC(=O)c1nn(C)cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218708553 824626557 /nfs/dbraw/zinc/62/65/57/824626557.db2.gz SWXOXGAFQUMNMI-QMMMGPOBSA-N 1 3 253.306 -0.373 20 0 CBADHO [NH3+][C@@H]1CN[C@H](C(=O)Nc2cc([C@@H]3CCCN3)no2)C1 ZINC001218713935 824627336 /nfs/dbraw/zinc/62/73/36/824627336.db2.gz VADRNDBXVUNUTI-NRPADANISA-N 1 3 265.317 -0.273 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218712204 824627513 /nfs/dbraw/zinc/62/75/13/824627513.db2.gz NSMYKBQPOJZKKR-WEDXCCLWSA-N 1 3 266.301 -0.382 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1C[NH2+]CCN1 ZINC001218710395 824628179 /nfs/dbraw/zinc/62/81/79/824628179.db2.gz FFMZELMASMYXOX-WCBMZHEXSA-N 1 3 265.317 -0.401 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@H](N)CCC[NH3+] ZINC001218739373 824630831 /nfs/dbraw/zinc/63/08/31/824630831.db2.gz CHJYQUFJBFVIPN-SNVBAGLBSA-N 1 3 251.334 -0.303 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218743877 824633630 /nfs/dbraw/zinc/63/36/30/824633630.db2.gz ZMMVWAIYUQVVPQ-ZETCQYMHSA-N 1 3 286.767 -0.254 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218765006 824636568 /nfs/dbraw/zinc/63/65/68/824636568.db2.gz QSAVDWRRQTXLGP-LLVKDONJSA-N 1 3 291.355 -0.293 20 0 CBADHO Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218912317 824646724 /nfs/dbraw/zinc/64/67/24/824646724.db2.gz ALNLCULKNXBXSW-LLVKDONJSA-N 1 3 288.351 -0.159 20 0 CBADHO COc1ccc(CO)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219074419 824653912 /nfs/dbraw/zinc/65/39/12/824653912.db2.gz JNWHKLMZQWWNGH-LBPRGKRZSA-N 1 3 291.351 -0.065 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219441822 824710875 /nfs/dbraw/zinc/71/08/75/824710875.db2.gz RZUWHJUHOBWFED-NSHDSACASA-N 1 3 280.328 -0.114 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](CO)[C@@H](C)O ZINC001219557822 824728489 /nfs/dbraw/zinc/72/84/89/824728489.db2.gz FLWURHBVZKFRDG-GRYCIOLGSA-N 1 3 275.393 -0.660 20 0 CBADHO O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CNCCN1 ZINC001219537319 824723663 /nfs/dbraw/zinc/72/36/63/824723663.db2.gz KZCFOMATUSEBNO-GAFUQQFSSA-N 1 3 288.351 -0.366 20 0 CBADHO NC[C@H](N)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219538152 824724802 /nfs/dbraw/zinc/72/48/02/824724802.db2.gz VOSKIMOARDGXCY-LAEOZQHASA-N 1 3 262.313 -0.641 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC001219553846 824727559 /nfs/dbraw/zinc/72/75/59/824727559.db2.gz OBMAKFWXTCRSJC-JTQLQIEISA-N 1 3 273.377 -0.016 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[NH+](CC)CC ZINC001219555895 824728766 /nfs/dbraw/zinc/72/87/66/824728766.db2.gz XIVGNSRQBPXKFS-AAEUAGOBSA-N 1 3 286.420 -0.066 20 0 CBADHO O=C(NCCN1CCCCC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219567381 824733443 /nfs/dbraw/zinc/73/34/43/824733443.db2.gz IGMRBPSPRABTFS-IUODEOHRSA-N 1 3 294.399 -0.686 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2CNCc3ccnn3C2)C[NH2+]1 ZINC001219580031 824734342 /nfs/dbraw/zinc/73/43/42/824734342.db2.gz IRQRQOGJPVTSSV-TUAOUCFPSA-N 1 3 277.372 -0.141 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@H]2CNCc3ccnn3C2)C[NH2+]1 ZINC001219580030 824734409 /nfs/dbraw/zinc/73/44/09/824734409.db2.gz IRQRQOGJPVTSSV-SRVKXCTJSA-N 1 3 277.372 -0.141 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)CCN2CCN(C)CC2)C[NH2+]1 ZINC001219583318 824736073 /nfs/dbraw/zinc/73/60/73/824736073.db2.gz SYGPOTCEBZMMEK-STQMWFEESA-N 1 3 268.405 -0.119 20 0 CBADHO Cc1cc(C)n(CCNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001219595897 824738691 /nfs/dbraw/zinc/73/86/91/824738691.db2.gz VAVDLFMWJAWXGD-LLVKDONJSA-N 1 3 253.350 -0.318 20 0 CBADHO O=C(NC[C@H](O)c1ccco1)[C@H]1C[NH2+]CC12CNC2 ZINC001219604362 824850947 /nfs/dbraw/zinc/85/09/47/824850947.db2.gz NEOWAOGXYVXIOS-ZJUUUORDSA-N 1 3 265.313 -0.762 20 0 CBADHO CC(C)C[C@H](CO)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219631258 824865489 /nfs/dbraw/zinc/86/54/89/824865489.db2.gz UUJGJRKACVVZSU-GHMZBOCLSA-N 1 3 255.362 -0.681 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CNCc3ccnn3C2)C1 ZINC001219639124 824867512 /nfs/dbraw/zinc/86/75/12/824867512.db2.gz VLJIXSNGHCDMRK-XQQFMLRXSA-N 1 3 291.399 -0.036 20 0 CBADHO C[C@H]1OCC[C@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219634080 824868228 /nfs/dbraw/zinc/86/82/28/824868228.db2.gz MVRWRAGVAJKJPA-UTLUCORTSA-N 1 3 261.391 -0.453 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219641932 824870096 /nfs/dbraw/zinc/87/00/96/824870096.db2.gz MZJJBTTYQHWYNH-OUAUKWLOSA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCNC(N)=O)C1 ZINC001219641927 824870247 /nfs/dbraw/zinc/87/02/47/824870247.db2.gz MZJJBTTYQHWYNH-DCAQKATOSA-N 1 3 285.392 -0.876 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645511 824871965 /nfs/dbraw/zinc/87/19/65/824871965.db2.gz LHKXFUNYXYMVTF-AVGNSLFASA-N 1 3 298.431 -0.162 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)C2(O)CCN(C)CC2)C1 ZINC001219646394 824872669 /nfs/dbraw/zinc/87/26/69/824872669.db2.gz SJSQOIRNASRBKY-VXGBXAGGSA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219649346 824873054 /nfs/dbraw/zinc/87/30/54/824873054.db2.gz IEIWMDZWGSPLGL-RYDOPVQFSA-N 1 3 275.418 -0.556 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219649486 824872983 /nfs/dbraw/zinc/87/29/83/824872983.db2.gz JYBPKBCFYIPEKU-VOAKCMCISA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219648964 824873195 /nfs/dbraw/zinc/87/31/95/824873195.db2.gz CRQFRQLYCSLSQQ-NAKRPEOUSA-N 1 3 270.377 -0.800 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C[NH2+]1 ZINC001219685321 824880057 /nfs/dbraw/zinc/88/00/57/824880057.db2.gz ZYXAGELWXPWDET-UTUOFQBUSA-N 1 3 282.388 -0.560 20 0 CBADHO Nc1nc(=O)[nH]cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219701577 824883592 /nfs/dbraw/zinc/88/35/92/824883592.db2.gz OFYFPIMDZLCEKU-MRVPVSSYSA-N 1 3 266.305 -0.970 20 0 CBADHO Cn1cccc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219699106 824883678 /nfs/dbraw/zinc/88/36/78/824883678.db2.gz ROKHYTPVNRCNLS-JTQLQIEISA-N 1 3 256.375 -0.340 20 0 CBADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714781 824885523 /nfs/dbraw/zinc/88/55/23/824885523.db2.gz XVRZRYYUCNPUND-BZPMIXESSA-N 1 3 281.331 -0.466 20 0 CBADHO N[C@H](C(=O)N[C@@H]1COC[C@@H]1[NH3+])C1Cc2ccccc2C1 ZINC001219719978 824886448 /nfs/dbraw/zinc/88/64/48/824886448.db2.gz CDWIAWYMFXBMIL-MJBXVCDLSA-N 1 3 275.352 -0.429 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771773 824891084 /nfs/dbraw/zinc/89/10/84/824891084.db2.gz ROIPDVNPSUIEPP-LBPRGKRZSA-N 1 3 277.372 -0.072 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771773 824891090 /nfs/dbraw/zinc/89/10/90/824891090.db2.gz ROIPDVNPSUIEPP-LBPRGKRZSA-N 1 3 277.372 -0.072 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCC[NH3+])c1ccc(O)cc1 ZINC001219885788 824908829 /nfs/dbraw/zinc/90/88/29/824908829.db2.gz WQQOIEDYIAQKBY-NWDGAFQWSA-N 1 3 295.339 -0.211 20 0 CBADHO Cc1nccn1CCNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001219935004 824916702 /nfs/dbraw/zinc/91/67/02/824916702.db2.gz XEZMZEPIBSBQQJ-WZRBSPASSA-N 1 3 263.345 -0.470 20 0 CBADHO Cc1nccn1CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001219935004 824916705 /nfs/dbraw/zinc/91/67/05/824916705.db2.gz XEZMZEPIBSBQQJ-WZRBSPASSA-N 1 3 263.345 -0.470 20 0 CBADHO Cc1nccn1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219934696 824916808 /nfs/dbraw/zinc/91/68/08/824916808.db2.gz IJATXHPTHPAOKI-LLVKDONJSA-N 1 3 263.345 -0.883 20 0 CBADHO Nc1ccccc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219925483 824916898 /nfs/dbraw/zinc/91/68/98/824916898.db2.gz MDGMYPMLNBDMGR-NSHDSACASA-N 1 3 260.341 -0.306 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001219951952 824920390 /nfs/dbraw/zinc/92/03/90/824920390.db2.gz IVTLJMYHCNJJMP-VIFPVBQESA-N 1 3 271.390 -0.604 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945422 824921037 /nfs/dbraw/zinc/92/10/37/824921037.db2.gz JOLSWHKEKFHLGP-QWRGUYRKSA-N 1 3 289.401 -0.528 20 0 CBADHO Cc1nonc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219948428 824921174 /nfs/dbraw/zinc/92/11/74/824921174.db2.gz VDYVRPNMGWSNDK-JTQLQIEISA-N 1 3 253.306 -0.679 20 0 CBADHO O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)NC1CCCC1 ZINC001219974756 824928229 /nfs/dbraw/zinc/92/82/29/824928229.db2.gz DJIZBHZQRQBYDB-IAQYHMDHSA-N 1 3 294.399 -0.640 20 0 CBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219980875 824928991 /nfs/dbraw/zinc/92/89/91/824928991.db2.gz PYLLZMIRMKNSQT-SYTFOFBDSA-N 1 3 289.445 -0.070 20 0 CBADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219980875 824928999 /nfs/dbraw/zinc/92/89/99/824928999.db2.gz PYLLZMIRMKNSQT-SYTFOFBDSA-N 1 3 289.445 -0.070 20 0 CBADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219980876 824930076 /nfs/dbraw/zinc/93/00/76/824930076.db2.gz PYLLZMIRMKNSQT-UFYHVXEKSA-N 1 3 289.445 -0.070 20 0 CBADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219980876 824930082 /nfs/dbraw/zinc/93/00/82/824930082.db2.gz PYLLZMIRMKNSQT-UFYHVXEKSA-N 1 3 289.445 -0.070 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H]2C[C@@H](F)CCN2)CC[NH2+]CC1 ZINC001219999291 824931233 /nfs/dbraw/zinc/93/12/33/824931233.db2.gz PBZGHWWAJPFTNA-UWVGGRQHSA-N 1 3 287.335 -0.512 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H](N)CC2CCC2)CC[NH2+]CC1 ZINC001220001661 824931625 /nfs/dbraw/zinc/93/16/25/824931625.db2.gz VUNJGLJSIWRUHD-NSHDSACASA-N 1 3 283.372 -0.085 20 0 CBADHO O=C(NCc1ccncn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220005112 824933032 /nfs/dbraw/zinc/93/30/32/824933032.db2.gz QNRHHLAHSVXOCM-ZWNOBZJWSA-N 1 3 261.329 -0.708 20 0 CBADHO CN1C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])CCC1=O ZINC001220006987 824933159 /nfs/dbraw/zinc/93/31/59/824933159.db2.gz GXBYOXVJLGKPPI-ZJUUUORDSA-N 1 3 256.350 -0.820 20 0 CBADHO CC(C)[C@@](C)(NC(=O)[C@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220023438 824937750 /nfs/dbraw/zinc/93/77/50/824937750.db2.gz YVCIFDMWFADZDT-ZWNOBZJWSA-N 1 3 270.377 -0.671 20 0 CBADHO N=c1sc2c(n1C(=O)C1(N)CC1)CC[C@H]([NH3+])C2 ZINC001220023327 824937759 /nfs/dbraw/zinc/93/77/59/824937759.db2.gz VOMUKCUVEWQURC-LURJTMIESA-N 1 3 252.343 -0.023 20 0 CBADHO COC(=O)c1ccnc(CNC(=O)[C@H](N)CCC[NH3+])c1 ZINC001220037826 824940883 /nfs/dbraw/zinc/94/08/83/824940883.db2.gz LUUGWGJFVAFLDI-LLVKDONJSA-N 1 3 280.328 -0.449 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)CC(F)F ZINC001220043163 824941951 /nfs/dbraw/zinc/94/19/51/824941951.db2.gz HOBNPSCTINYWAO-ZETCQYMHSA-N 1 3 259.260 -0.248 20 0 CBADHO N=c1cc(C[NH3+])ccn1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220044875 824942231 /nfs/dbraw/zinc/94/22/31/824942231.db2.gz CMDZOBQISKFRBX-SNVBAGLBSA-N 1 3 260.301 -0.640 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220043356 824942614 /nfs/dbraw/zinc/94/26/14/824942614.db2.gz OPCIFBPHQAESQB-JTQLQIEISA-N 1 3 275.316 -0.937 20 0 CBADHO COC(=O)C1(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCCC1 ZINC001220047715 824943229 /nfs/dbraw/zinc/94/32/29/824943229.db2.gz DAJUDZYZHBVXME-LLVKDONJSA-N 1 3 283.372 -0.085 20 0 CBADHO O=C(NCc1n[nH]c2ccccc12)[C@H]1C[NH2+]CC12CNC2 ZINC001220045435 824944303 /nfs/dbraw/zinc/94/43/03/824944303.db2.gz ZHWRJJBMWDONOR-LLVKDONJSA-N 1 3 285.351 -0.012 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220063746 824948335 /nfs/dbraw/zinc/94/83/35/824948335.db2.gz AYOFAZUFEHNWJC-SECBINFHSA-N 1 3 269.345 -0.747 20 0 CBADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220112911 824958940 /nfs/dbraw/zinc/95/89/40/824958940.db2.gz DPBOWQOUBQIJNO-QWHCGFSZSA-N 1 3 291.351 -0.649 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@H](N)CCC[NH3+])[C@H](C)OC1 ZINC001220136840 824963019 /nfs/dbraw/zinc/96/30/19/824963019.db2.gz IUFAITQHPHJRRS-WCBMZHEXSA-N 1 3 285.344 -0.595 20 0 CBADHO O=C(NCC1(F)CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220136698 824963886 /nfs/dbraw/zinc/96/38/86/824963886.db2.gz CQQAVBCAAAPYHP-JTQLQIEISA-N 1 3 271.336 -0.570 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220140975 824965850 /nfs/dbraw/zinc/96/58/50/824965850.db2.gz DMLBQYCBPKOOJR-HBNTYKKESA-N 1 3 259.350 -0.637 20 0 CBADHO CN1CCC[C@H](NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001220156578 824973572 /nfs/dbraw/zinc/97/35/72/824973572.db2.gz AZQAFSBQKNIECA-LBPRGKRZSA-N 1 3 254.378 -0.462 20 0 CBADHO Cn1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1=O ZINC001220179159 824978786 /nfs/dbraw/zinc/97/87/86/824978786.db2.gz FVMSEWQBKUPWOU-IUODEOHRSA-N 1 3 290.367 -0.799 20 0 CBADHO COc1ccnc(C(=N)NC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001220183297 824980551 /nfs/dbraw/zinc/98/05/51/824980551.db2.gz LATUXVHKRHMQHN-QMMMGPOBSA-N 1 3 280.332 -0.617 20 0 CBADHO N=C(NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ncc[nH]1 ZINC001220181552 824980967 /nfs/dbraw/zinc/98/09/67/824980967.db2.gz TVNPSRFZVPUUOP-MRVPVSSYSA-N 1 3 250.306 -0.822 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220188294 824983415 /nfs/dbraw/zinc/98/34/15/824983415.db2.gz AGNKJCDENDZFBC-BDAKNGLRSA-N 1 3 296.387 -0.633 20 0 CBADHO O=C(NC[C@@H]1CCNCC1(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220185378 824983465 /nfs/dbraw/zinc/98/34/65/824983465.db2.gz GVBYALGYFOAUKR-UWVGGRQHSA-N 1 3 288.342 -0.844 20 0 CBADHO O=C(NC[C@H]1CNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220202301 824985561 /nfs/dbraw/zinc/98/55/61/824985561.db2.gz AOKIHTGLULPSES-GHMZBOCLSA-N 1 3 280.372 -0.887 20 0 CBADHO O=C(NC[C@H]1CNC(=O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220202301 824985566 /nfs/dbraw/zinc/98/55/66/824985566.db2.gz AOKIHTGLULPSES-GHMZBOCLSA-N 1 3 280.372 -0.887 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220202304 824986188 /nfs/dbraw/zinc/98/61/88/824986188.db2.gz AOKIHTGLULPSES-WDEREUQCSA-N 1 3 280.372 -0.887 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220202304 824986191 /nfs/dbraw/zinc/98/61/91/824986191.db2.gz AOKIHTGLULPSES-WDEREUQCSA-N 1 3 280.372 -0.887 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220202303 824986460 /nfs/dbraw/zinc/98/64/60/824986460.db2.gz AOKIHTGLULPSES-QWRGUYRKSA-N 1 3 280.372 -0.887 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220202303 824986466 /nfs/dbraw/zinc/98/64/66/824986466.db2.gz AOKIHTGLULPSES-QWRGUYRKSA-N 1 3 280.372 -0.887 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCCc1cnccn1 ZINC001220242474 824992777 /nfs/dbraw/zinc/99/27/77/824992777.db2.gz AQBHKCFPECEFFF-NSHDSACASA-N 1 3 251.334 -0.408 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220251746 824994440 /nfs/dbraw/zinc/99/44/40/824994440.db2.gz DFHDSGULTSHGOS-GHMZBOCLSA-N 1 3 285.392 -0.637 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220251746 824994442 /nfs/dbraw/zinc/99/44/42/824994442.db2.gz DFHDSGULTSHGOS-GHMZBOCLSA-N 1 3 285.392 -0.637 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220251671 824994906 /nfs/dbraw/zinc/99/49/06/824994906.db2.gz BDCNEFHPLCOLBV-AAEUAGOBSA-N 1 3 279.388 -0.110 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220251671 824994910 /nfs/dbraw/zinc/99/49/10/824994910.db2.gz BDCNEFHPLCOLBV-AAEUAGOBSA-N 1 3 279.388 -0.110 20 0 CBADHO O=C(N[C@H]1CCc2n[nH]cc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220260731 824997329 /nfs/dbraw/zinc/99/73/29/824997329.db2.gz FOHMFKUAFHPRQY-WDEREUQCSA-N 1 3 275.356 -0.808 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261200 824997453 /nfs/dbraw/zinc/99/74/53/824997453.db2.gz UMAAXULIWVFDME-NXEZZACHSA-N 1 3 251.334 -0.551 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220254835 824997690 /nfs/dbraw/zinc/99/76/90/824997690.db2.gz ZLLVAXMDYZYIEB-NSHDSACASA-N 1 3 284.404 -0.979 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261202 824997782 /nfs/dbraw/zinc/99/77/82/824997782.db2.gz UMAAXULIWVFDME-VHSXEESVSA-N 1 3 251.334 -0.551 20 0 CBADHO N[C@H](C(=O)N[C@@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261239 824999445 /nfs/dbraw/zinc/99/94/45/824999445.db2.gz VMRPPYQFIIAMIX-YPMHNXCESA-N 1 3 277.372 -0.290 20 0 CBADHO N[C@H](C(=O)N[C@@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447058 825039595 /nfs/dbraw/zinc/03/95/95/825039595.db2.gz BRVWHESQSSXTOL-YUMQZZPRSA-N 1 3 269.267 -0.647 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220277303 825002718 /nfs/dbraw/zinc/00/27/18/825002718.db2.gz VJFPIXXYJGCHRA-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCn1cncc1CNC(=O)[C@H](N)CCC[NH3+] ZINC001220274663 825004369 /nfs/dbraw/zinc/00/43/69/825004369.db2.gz NAJFZXHUQQWZGV-LLVKDONJSA-N 1 3 269.349 -0.788 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1OCCO1 ZINC001220289069 825006650 /nfs/dbraw/zinc/00/66/50/825006650.db2.gz QTMRXELFIDLUDN-JTQLQIEISA-N 1 3 259.350 -0.465 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1COC(=O)C1 ZINC001220296206 825006823 /nfs/dbraw/zinc/00/68/23/825006823.db2.gz JGCHGYPQENWLJO-ZJUUUORDSA-N 1 3 257.334 -0.523 20 0 CBADHO C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)CC(F)F)CC1 ZINC001220306701 825010502 /nfs/dbraw/zinc/01/05/02/825010502.db2.gz NNUBDOFDKDOTTA-JTQLQIEISA-N 1 3 278.347 -0.277 20 0 CBADHO C[N@H+]1CCCN(CCNC(=O)[C@@H](N)CC(F)F)CC1 ZINC001220306701 825010508 /nfs/dbraw/zinc/01/05/08/825010508.db2.gz NNUBDOFDKDOTTA-JTQLQIEISA-N 1 3 278.347 -0.277 20 0 CBADHO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cnn(C)c1 ZINC001220308079 825010717 /nfs/dbraw/zinc/01/07/17/825010717.db2.gz BTEXCHDLTUJKAQ-ZKYQVNSYSA-N 1 3 277.372 -0.204 20 0 CBADHO C[C@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C1 ZINC001220312711 825012004 /nfs/dbraw/zinc/01/20/04/825012004.db2.gz CLHPJVMYDXPQTN-AWEZNQCLSA-N 1 3 277.372 -0.008 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308572 825012524 /nfs/dbraw/zinc/01/25/24/825012524.db2.gz LZYMBHOYLWKMCU-SKDRFNHKSA-N 1 3 265.361 -0.076 20 0 CBADHO COc1ccc(CNC(=O)[C@H](N)CCC[NH3+])nn1 ZINC001220343102 825019483 /nfs/dbraw/zinc/01/94/83/825019483.db2.gz DZWREMMFXBWWBU-SECBINFHSA-N 1 3 253.306 -0.832 20 0 CBADHO CCOC(=O)C1(CNC(=O)[C@@H](N)CCC[NH3+])CCC1 ZINC001220371033 825021198 /nfs/dbraw/zinc/02/11/98/825021198.db2.gz MWSLUEQXKSWVFW-JTQLQIEISA-N 1 3 271.361 -0.098 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220369370 825021272 /nfs/dbraw/zinc/02/12/72/825021272.db2.gz VSBHPIDDHNOZPE-MRVPVSSYSA-N 1 3 257.725 -0.188 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CCC2 ZINC001220376839 825023014 /nfs/dbraw/zinc/02/30/14/825023014.db2.gz AQHFFSVRBUJMRF-RYUDHWBXSA-N 1 3 275.356 -0.634 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)CNCC[NH3+])CCC2 ZINC001220377141 825023299 /nfs/dbraw/zinc/02/32/99/825023299.db2.gz KYLDOGDAKDTAQR-UHFFFAOYSA-N 1 3 263.345 -0.632 20 0 CBADHO CCOC(=O)c1cccc(CNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001220400771 825030432 /nfs/dbraw/zinc/03/04/32/825030432.db2.gz MCNHJSYMVPQQGH-NSHDSACASA-N 1 3 294.355 -0.059 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220406550 825033215 /nfs/dbraw/zinc/03/32/15/825033215.db2.gz SPZQTZUFOSDNHE-MXWKQRLJSA-N 1 3 271.361 -0.099 20 0 CBADHO COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220406757 825033317 /nfs/dbraw/zinc/03/33/17/825033317.db2.gz WOKHWNFMYYQKJI-AEJSXWLSSA-N 1 3 289.401 -0.537 20 0 CBADHO N[C@@H](C(=O)N[C@@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447056 825038393 /nfs/dbraw/zinc/03/83/93/825038393.db2.gz BRVWHESQSSXTOL-JGVFFNPUSA-N 1 3 269.267 -0.647 20 0 CBADHO O=C(N[C@H](CO)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220448010 825041475 /nfs/dbraw/zinc/04/14/75/825041475.db2.gz UOJFJTGMYLHAMU-NQMVMOMDSA-N 1 3 281.278 -0.775 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC(=O)Cc1ccccc1 ZINC001220462605 825044466 /nfs/dbraw/zinc/04/44/66/825044466.db2.gz IBFJTXPEKBPGPC-ZDUSSCGKSA-N 1 3 263.341 -0.019 20 0 CBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@H](N)CCC[NH3+])C(C)C ZINC001220462833 825045043 /nfs/dbraw/zinc/04/50/43/825045043.db2.gz QGUAQJVQKIBFOF-MNOVXSKESA-N 1 3 272.393 -0.282 20 0 CBADHO Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220492649 825049519 /nfs/dbraw/zinc/04/95/19/825049519.db2.gz PFONUPQRLSBCBT-LLVKDONJSA-N 1 3 281.360 -0.591 20 0 CBADHO O=C(NCc1cccc2ccnn21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220553133 825060787 /nfs/dbraw/zinc/06/07/87/825060787.db2.gz HUDTTWNAZTWNPJ-ZDUSSCGKSA-N 1 3 285.351 -0.241 20 0 CBADHO CC(C)(O)CCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220573214 825065784 /nfs/dbraw/zinc/06/57/84/825065784.db2.gz IEIDXYGRTRDIGM-VIFPVBQESA-N 1 3 263.407 -0.327 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@H](N)CCC[NH3+])C(F)(F)F ZINC001220588564 825071747 /nfs/dbraw/zinc/07/17/47/825071747.db2.gz VAESVSBLYDAFDN-PHDIDXHHSA-N 1 3 271.239 -0.727 20 0 CBADHO CC(=O)N1CC(NC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001220597011 825072670 /nfs/dbraw/zinc/07/26/70/825072670.db2.gz RDTRZCFWVLKRFF-LBPRGKRZSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CCC[NH3+])c1ncc(F)cn1 ZINC001220598872 825074854 /nfs/dbraw/zinc/07/48/54/825074854.db2.gz GEXIQCBYOWTUSO-APPZFPTMSA-N 1 3 255.297 -0.141 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220619474 825077110 /nfs/dbraw/zinc/07/71/10/825077110.db2.gz IFBGSSZZXIHODY-WDEREUQCSA-N 1 3 262.313 -0.389 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220619471 825077961 /nfs/dbraw/zinc/07/79/61/825077961.db2.gz IFBGSSZZXIHODY-GHMZBOCLSA-N 1 3 262.313 -0.389 20 0 CBADHO N[C@H](C(=O)N[C@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620182 825078702 /nfs/dbraw/zinc/07/87/02/825078702.db2.gz QEEWFQAWJTYCAA-QWHCGFSZSA-N 1 3 288.351 -0.128 20 0 CBADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1COC2(CNC2)CN1 ZINC001220678607 825085280 /nfs/dbraw/zinc/08/52/80/825085280.db2.gz GCGASMQWGCTJDQ-MROQNXINSA-N 1 3 294.399 -0.894 20 0 CBADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220687680 825087774 /nfs/dbraw/zinc/08/77/74/825087774.db2.gz RDJRAMMAVGUIFO-NSHDSACASA-N 1 3 284.404 -0.040 20 0 CBADHO C[C@H]1COCCN1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220725456 825094061 /nfs/dbraw/zinc/09/40/61/825094061.db2.gz RUOXGOSFWJGYCE-RYUDHWBXSA-N 1 3 272.393 -0.720 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220756296 825095880 /nfs/dbraw/zinc/09/58/80/825095880.db2.gz AKKSTTPYQAQCQU-BXKDBHETSA-N 1 3 270.377 -0.798 20 0 CBADHO COC(CCCNC(=O)[C@@H](N)CSCC[NH3+])OC ZINC001220741427 825096361 /nfs/dbraw/zinc/09/63/61/825096361.db2.gz OPVQCQDJPJWJET-VIFPVBQESA-N 1 3 279.406 -0.479 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220759377 825096827 /nfs/dbraw/zinc/09/68/27/825096827.db2.gz XIZGFHQZHRNHSC-NSHDSACASA-N 1 3 290.433 -0.572 20 0 CBADHO NC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788992 825102031 /nfs/dbraw/zinc/10/20/31/825102031.db2.gz IAUOBLUFVLUBCF-GRYCIOLGSA-N 1 3 263.345 -0.866 20 0 CBADHO O=C(NCc1ccc(O)cc1F)[C@H]1C[NH2+]CC12CNC2 ZINC001220821379 825105340 /nfs/dbraw/zinc/10/53/40/825105340.db2.gz HHKWITJAPNVDRQ-LLVKDONJSA-N 1 3 279.315 -0.044 20 0 CBADHO CCOC(=O)C1=C(NC(=O)CN(C)C(C)C)C[NH2+]C1 ZINC001220827565 825108176 /nfs/dbraw/zinc/10/81/76/825108176.db2.gz SIZNDOQGGDWIDO-UHFFFAOYSA-N 1 3 269.345 -0.137 20 0 CBADHO CSCC[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220840620 825110515 /nfs/dbraw/zinc/11/05/15/825110515.db2.gz QYPUGYRRBVMEDR-VHSXEESVSA-N 1 3 288.417 -0.964 20 0 CBADHO COC(=O)c1cncc(CNC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001220843509 825111307 /nfs/dbraw/zinc/11/13/07/825111307.db2.gz XLURZEPOIMGTKR-LBPRGKRZSA-N 1 3 294.355 -0.059 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220849123 825111607 /nfs/dbraw/zinc/11/16/07/825111607.db2.gz SRZYDFGYQJPUIU-ZJUUUORDSA-N 1 3 269.345 -0.889 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220849120 825111886 /nfs/dbraw/zinc/11/18/86/825111886.db2.gz SRZYDFGYQJPUIU-NXEZZACHSA-N 1 3 269.345 -0.889 20 0 CBADHO O=C(NCCc1cnc2cc[nH]cc1-2)[C@H]1C[NH2+]C[C@@H]1O ZINC001220865826 825115271 /nfs/dbraw/zinc/11/52/71/825115271.db2.gz MIYCMJXDBMKANL-AAEUAGOBSA-N 1 3 274.324 -0.198 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@H]1C[NH2+]C[C@@H]1O ZINC001220865826 825115274 /nfs/dbraw/zinc/11/52/74/825115274.db2.gz MIYCMJXDBMKANL-AAEUAGOBSA-N 1 3 274.324 -0.198 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CCC[NH2+]C2)COC1(C)C ZINC001220889937 825121510 /nfs/dbraw/zinc/12/15/10/825121510.db2.gz QYAKVGDHGVTXQQ-DCAQKATOSA-N 1 3 298.387 -0.835 20 0 CBADHO CCC(=O)N1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001220907142 825122689 /nfs/dbraw/zinc/12/26/89/825122689.db2.gz IVIRWNRZKLROBO-WCQYABFASA-N 1 3 282.388 -0.560 20 0 CBADHO O=C(NC1(c2ncccn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220931886 825125798 /nfs/dbraw/zinc/12/57/98/825125798.db2.gz CBPNIAYREWNTBT-SNVBAGLBSA-N 1 3 273.340 -0.609 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220933823 825126232 /nfs/dbraw/zinc/12/62/32/825126232.db2.gz BBQHPCFMAVDGBY-NEPJUHHUSA-N 1 3 277.372 -0.157 20 0 CBADHO Cc1noc(C2(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)n1 ZINC001220932245 825126404 /nfs/dbraw/zinc/12/64/04/825126404.db2.gz JEFTVNAGLAYDFW-ZWNOBZJWSA-N 1 3 291.355 -0.318 20 0 CBADHO N[C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CCC(O)CC1 ZINC001220937658 825127954 /nfs/dbraw/zinc/12/79/54/825127954.db2.gz WZFDAKVIDVSKPS-TUUUFIMRSA-N 1 3 285.388 -0.641 20 0 CBADHO Nc1ccc([C@H](CCO)NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001220953144 825128781 /nfs/dbraw/zinc/12/87/81/825128781.db2.gz MIDBJOKPMSUCTG-OLZOCXBDSA-N 1 3 280.372 -0.125 20 0 CBADHO CC(C)Oc1nccc(CNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001220988319 825132402 /nfs/dbraw/zinc/13/24/02/825132402.db2.gz IXPMPCRLEBQWAL-LLVKDONJSA-N 1 3 281.360 -0.054 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001221010682 825135751 /nfs/dbraw/zinc/13/57/51/825135751.db2.gz ODYXBXAIUZCTBU-ADEWGFFLSA-N 1 3 255.362 -0.003 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ncn2ccccc12 ZINC001221007871 825136109 /nfs/dbraw/zinc/13/61/09/825136109.db2.gz GMFBGXTZPSCHJY-JTQLQIEISA-N 1 3 293.396 -0.030 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221024125 825139091 /nfs/dbraw/zinc/13/90/91/825139091.db2.gz YTFBDPPDJQEKRL-LBPRGKRZSA-N 1 3 297.428 -0.072 20 0 CBADHO [NH3+]CCNCC(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056263 825140018 /nfs/dbraw/zinc/14/00/18/825140018.db2.gz LRPXIDCVPABPCC-JOCQHMNTSA-N 1 3 284.404 -0.706 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccnn1CCF ZINC001221108298 825145512 /nfs/dbraw/zinc/14/55/12/825145512.db2.gz SEEMEQKAEUYGCL-NSHDSACASA-N 1 3 271.340 -0.075 20 0 CBADHO COCCC1([NH3+])CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC001221133995 825146365 /nfs/dbraw/zinc/14/63/65/825146365.db2.gz FWZNOVPCVUJMHD-LBPRGKRZSA-N 1 3 295.387 -0.364 20 0 CBADHO COCCC1([NH3+])CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1 ZINC001221133995 825146369 /nfs/dbraw/zinc/14/63/69/825146369.db2.gz FWZNOVPCVUJMHD-LBPRGKRZSA-N 1 3 295.387 -0.364 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221190543 825151724 /nfs/dbraw/zinc/15/17/24/825151724.db2.gz RGBLMTFHEGRJQE-CYBMUJFWSA-N 1 3 265.357 -0.096 20 0 CBADHO Cc1cccc([C@@H](CO)NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001221192550 825153245 /nfs/dbraw/zinc/15/32/45/825153245.db2.gz XBDYQEYCAJXOLK-UONOGXRCSA-N 1 3 289.379 -0.046 20 0 CBADHO CCCC[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001221234902 825157061 /nfs/dbraw/zinc/15/70/61/825157061.db2.gz NJOHIIYBCWPDKT-QWRGUYRKSA-N 1 3 270.377 -0.526 20 0 CBADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H](N)C2CCC(O)CC2)C1 ZINC001221238835 825158569 /nfs/dbraw/zinc/15/85/69/825158569.db2.gz DOXYJRXNSKZINC-VZTQHCMVSA-N 1 3 255.362 -0.139 20 0 CBADHO CC(C)(O)[C@H](F)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221260120 825163174 /nfs/dbraw/zinc/16/31/74/825163174.db2.gz IFBPZWIMZYILCR-DTWKUNHWSA-N 1 3 259.325 -0.979 20 0 CBADHO O=C(NCc1cnc(Cl)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221319236 825170560 /nfs/dbraw/zinc/17/05/60/825170560.db2.gz RTDIDCUJQQDJAP-VIFPVBQESA-N 1 3 281.747 -0.445 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H](O)CF ZINC001221335697 825173923 /nfs/dbraw/zinc/17/39/23/825173923.db2.gz AZAFXTFJSPCIKF-QWRGUYRKSA-N 1 3 263.357 -0.071 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367129 825176351 /nfs/dbraw/zinc/17/63/51/825176351.db2.gz XQDFIEYLSBAHOF-KXUCPTDWSA-N 1 3 255.297 -0.904 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221368306 825177580 /nfs/dbraw/zinc/17/75/80/825177580.db2.gz FNOVALLCBJLRFX-QWRGUYRKSA-N 1 3 286.376 -0.293 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)NC1 ZINC001221392841 825180081 /nfs/dbraw/zinc/18/00/81/825180081.db2.gz OAGMXNRIRDAQIH-JSGCOSHPSA-N 1 3 292.383 -0.865 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)NC1 ZINC001221393170 825180160 /nfs/dbraw/zinc/18/01/60/825180160.db2.gz XVKORDNIINOCOU-KBPBESRZSA-N 1 3 292.383 -0.723 20 0 CBADHO CC(C)N(C(=O)[C@H]1COC2(CNC2)CN1)C(C)(C)C[NH3+] ZINC001221393992 825181266 /nfs/dbraw/zinc/18/12/66/825181266.db2.gz FWMSDOIWZVDETA-LLVKDONJSA-N 1 3 284.404 -0.709 20 0 CBADHO O=C(NCCOc1ccncc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221394133 825181655 /nfs/dbraw/zinc/18/16/55/825181655.db2.gz WONTXMZGUFBJKN-GFCCVEGCSA-N 1 3 276.340 -0.614 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCOc1ccncc1 ZINC001221393374 825181795 /nfs/dbraw/zinc/18/17/95/825181795.db2.gz CCJDVCUHFKKKPL-NSHDSACASA-N 1 3 284.385 -0.404 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccno1 ZINC001221397605 825181836 /nfs/dbraw/zinc/18/18/36/825181836.db2.gz OYHRZAHDWFJYJD-BDAKNGLRSA-N 1 3 250.302 -0.339 20 0 CBADHO CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221400149 825182264 /nfs/dbraw/zinc/18/22/64/825182264.db2.gz ZUHYDRYWJQEKNO-LSDHHAIUSA-N 1 3 288.395 -0.279 20 0 CBADHO C[C@@]1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCOC1 ZINC001221402365 825182390 /nfs/dbraw/zinc/18/23/90/825182390.db2.gz FCAMDXNKUXEWOM-MRVWCRGKSA-N 1 3 267.373 -0.129 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001221402869 825182806 /nfs/dbraw/zinc/18/28/06/825182806.db2.gz MXFFXJGYMZYSFI-RWMBFGLXSA-N 1 3 297.399 -0.674 20 0 CBADHO CN1CCC(CO)(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC001221403502 825183056 /nfs/dbraw/zinc/18/30/56/825183056.db2.gz UMGLPWNKZQQYRV-UHFFFAOYSA-N 1 3 269.389 -0.051 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411381 825186874 /nfs/dbraw/zinc/18/68/74/825186874.db2.gz VZVFRYWWJFQCET-UONOGXRCSA-N 1 3 291.399 -0.206 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221791677 825194088 /nfs/dbraw/zinc/19/40/88/825194088.db2.gz XQJDXSHNXGUYPR-VXGBXAGGSA-N 1 3 255.362 -0.537 20 0 CBADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001221950365 825197394 /nfs/dbraw/zinc/19/73/94/825197394.db2.gz DWKVWZYJZAPNPP-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221921645 825197488 /nfs/dbraw/zinc/19/74/88/825197488.db2.gz DGEZFBDRMBZWQS-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221921645 825197491 /nfs/dbraw/zinc/19/74/91/825197491.db2.gz DGEZFBDRMBZWQS-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@H](C(=O)NC1CC[NH+](CCO)CC1)N(C)C ZINC001227986691 825312080 /nfs/dbraw/zinc/31/20/80/825312080.db2.gz JVQMJLHBWHFHQB-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO C[NH+](C)CC1(C(=O)NC2CCN(CCO)CC2)CC1 ZINC001228888591 825323308 /nfs/dbraw/zinc/32/33/08/825323308.db2.gz ISUKJVDASPCEJK-UHFFFAOYSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN(CC)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001229664946 825333773 /nfs/dbraw/zinc/33/37/73/825333773.db2.gz ZDKGFBNPWRKMON-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO C[C@H]([NH3+])CN1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001235519534 825499359 /nfs/dbraw/zinc/49/93/59/825499359.db2.gz XRDBWWMOTKSYFD-AVGNSLFASA-N 1 3 277.372 -0.039 20 0 CBADHO [NH3+]CCN1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235516494 825499552 /nfs/dbraw/zinc/49/95/52/825499552.db2.gz JKZHEGWLQYFQFO-VXGBXAGGSA-N 1 3 263.345 -0.427 20 0 CBADHO COCC[N@@H+]1CCO[C@@H]2CN(CCO)CC[C@@H]2C1 ZINC001235567087 825504607 /nfs/dbraw/zinc/50/46/07/825504607.db2.gz CJZMQGDOVLVVEN-CHWSQXEVSA-N 1 3 258.362 -0.352 20 0 CBADHO COCC[N@H+]1CCO[C@@H]2CN(CCO)CC[C@@H]2C1 ZINC001235567087 825504610 /nfs/dbraw/zinc/50/46/10/825504610.db2.gz CJZMQGDOVLVVEN-CHWSQXEVSA-N 1 3 258.362 -0.352 20 0 CBADHO CCOC(=O)[C@]12CN(C[C@H]3COCCN3)C[C@H]1C[NH2+]CC2 ZINC001236037310 825519836 /nfs/dbraw/zinc/51/98/36/825519836.db2.gz GGUSQYSAMHEPJS-VNHYZAJKSA-N 1 3 297.399 -0.551 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC1(C)CC[NH2+]CC1 ZINC001236053436 825521505 /nfs/dbraw/zinc/52/15/05/825521505.db2.gz WMVZSNQRUGDWRJ-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@H]1CN(Cc2ccc3n2CCNC3)C[C@H]1[NH3+] ZINC001236344393 825528657 /nfs/dbraw/zinc/52/86/57/825528657.db2.gz BRXGVPBIWADWMK-QWHCGFSZSA-N 1 3 278.356 -0.477 20 0 CBADHO COC(=O)[C@@H]1CN(Cc2nc3c(s2)CNCC3)C[C@H]1[NH3+] ZINC001236349305 825529800 /nfs/dbraw/zinc/52/98/00/825529800.db2.gz GKHXJIMOUQRZNG-RKDXNWHRSA-N 1 3 296.396 -0.279 20 0 CBADHO COC(=O)[C@@H]1CN(C[C@@H]2[C@@H](C)CNCC2(F)F)C[C@@H]1[NH3+] ZINC001236346509 825529943 /nfs/dbraw/zinc/52/99/43/825529943.db2.gz ZNIQXHXFSRVCKW-ZDCRXTMVSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@H+](C[C@@H]2[C@@H](C)CNCC2(F)F)C[C@@H]1N ZINC001236346509 825529953 /nfs/dbraw/zinc/52/99/53/825529953.db2.gz ZNIQXHXFSRVCKW-ZDCRXTMVSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2[C@@H](C)CNCC2(F)F)C[C@@H]1N ZINC001236346509 825529959 /nfs/dbraw/zinc/52/99/59/825529959.db2.gz ZNIQXHXFSRVCKW-ZDCRXTMVSA-N 1 3 291.342 -0.091 20 0 CBADHO CN1CCN(c2ccncc2NS(=O)(=O)CC[NH3+])CC1 ZINC001237564621 825538800 /nfs/dbraw/zinc/53/88/00/825538800.db2.gz AZRBGSKQEPHUHJ-UHFFFAOYSA-N 1 3 299.400 -0.466 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@H]1CC[NH2+]C[C@H]1F ZINC001238049048 825545797 /nfs/dbraw/zinc/54/57/97/825545797.db2.gz CUTHIISXLOTRJT-MNOVXSKESA-N 1 3 279.381 -0.395 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[C@@H](F)CN1 ZINC001238085541 825546386 /nfs/dbraw/zinc/54/63/86/825546386.db2.gz KTYLEHDJHDUJPB-MNOVXSKESA-N 1 3 279.381 -0.395 20 0 CBADHO CCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241731 825549430 /nfs/dbraw/zinc/54/94/30/825549430.db2.gz KYDWVEBWNFUTMI-JTQLQIEISA-N 1 3 261.391 -0.200 20 0 CBADHO CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238241731 825549435 /nfs/dbraw/zinc/54/94/35/825549435.db2.gz KYDWVEBWNFUTMI-JTQLQIEISA-N 1 3 261.391 -0.200 20 0 CBADHO CN(C)S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238231196 825549574 /nfs/dbraw/zinc/54/95/74/825549574.db2.gz WUFPCFOEXYZNDF-JTQLQIEISA-N 1 3 276.406 -0.743 20 0 CBADHO COCCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239542 825549870 /nfs/dbraw/zinc/54/98/70/825549870.db2.gz DGFUABUJEFKWDB-NSHDSACASA-N 1 3 291.417 -0.574 20 0 CBADHO COCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238239542 825549876 /nfs/dbraw/zinc/54/98/76/825549876.db2.gz DGFUABUJEFKWDB-NSHDSACASA-N 1 3 291.417 -0.574 20 0 CBADHO CC[NH+](CC)CCN1CCN(S(=O)(=O)CCN)CC1 ZINC001238917866 825572417 /nfs/dbraw/zinc/57/24/17/825572417.db2.gz VPFKNRZUBJBZQF-UHFFFAOYSA-N 1 3 292.449 -0.766 20 0 CBADHO NCCS(=O)(=O)N1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001239012361 825581859 /nfs/dbraw/zinc/58/18/59/825581859.db2.gz SGCCBGZYGPDEFT-STQMWFEESA-N 1 3 281.381 -0.154 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001239073269 825585567 /nfs/dbraw/zinc/58/55/67/825585567.db2.gz LCCPJBBHMIXVMS-VXGBXAGGSA-N 1 3 275.418 -0.014 20 0 CBADHO C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCCN1 ZINC001239115256 825590437 /nfs/dbraw/zinc/59/04/37/825590437.db2.gz ZVKHJIZRVVIMJC-NSHDSACASA-N 1 3 275.418 0.000 20 0 CBADHO NCCS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001239136798 825593706 /nfs/dbraw/zinc/59/37/06/825593706.db2.gz MRFCYQJXNJRCRZ-BQBZGAKWSA-N 1 3 275.296 -0.514 20 0 CBADHO NCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001239136801 825593791 /nfs/dbraw/zinc/59/37/91/825593791.db2.gz MRFCYQJXNJRCRZ-RQJHMYQMSA-N 1 3 275.296 -0.514 20 0 CBADHO NCCS(=O)(=O)N1CC(F)(F)CC[C@@H]1C[NH3+] ZINC001239173182 825595223 /nfs/dbraw/zinc/59/52/23/825595223.db2.gz CRRABLODTLWZDD-SSDOTTSWSA-N 1 3 257.306 -0.667 20 0 CBADHO NCCS(=O)(=O)N(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001239145021 825595441 /nfs/dbraw/zinc/59/54/41/825595441.db2.gz ZBBBTLHRJOOKPR-CYBMUJFWSA-N 1 3 298.412 -0.076 20 0 CBADHO Cc1cc(N2CCN(S(=O)(=O)CCN)CC2)cc[nH+]1 ZINC001239153339 825595819 /nfs/dbraw/zinc/59/58/19/825595819.db2.gz DGXSEJJIXJFKMV-UHFFFAOYSA-N 1 3 284.385 -0.199 20 0 CBADHO CCOC(=O)CNC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239213376 825596849 /nfs/dbraw/zinc/59/68/49/825596849.db2.gz BEDYQGLCKHKOQK-NSHDSACASA-N 1 3 298.387 -0.277 20 0 CBADHO CCOC(=O)CNC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239213374 825596944 /nfs/dbraw/zinc/59/69/44/825596944.db2.gz BEDYQGLCKHKOQK-LLVKDONJSA-N 1 3 298.387 -0.277 20 0 CBADHO COCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363234 825600474 /nfs/dbraw/zinc/60/04/74/825600474.db2.gz LWXBYLMSGGQNAL-JTQLQIEISA-N 1 3 272.418 -0.071 20 0 CBADHO CC(C)(C)OC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246005233 825619625 /nfs/dbraw/zinc/61/96/25/825619625.db2.gz FAXGVQZQGSDHSV-QWRGUYRKSA-N 1 3 275.393 -0.265 20 0 CBADHO CC(C)OC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246006052 825620550 /nfs/dbraw/zinc/62/05/50/825620550.db2.gz GULJWNWDQGYUAQ-MNOVXSKESA-N 1 3 261.366 -0.655 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CN1CCNC[C@H]1C(=O)OC ZINC001246047411 825628531 /nfs/dbraw/zinc/62/85/31/825628531.db2.gz DRXVSHRLZIZZCL-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO CC[C@]1(C(=O)OC)C[C@@H](N[C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082934 825633378 /nfs/dbraw/zinc/63/33/78/825633378.db2.gz ZKYROZDRKRWEMS-GZBFAFLISA-N 1 3 298.431 -0.447 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246149693 825640954 /nfs/dbraw/zinc/64/09/54/825640954.db2.gz DYAYVGAVVBVKQR-NOHGZBONSA-N 1 3 269.345 -1.000 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246214917 825651806 /nfs/dbraw/zinc/65/18/06/825651806.db2.gz LAYMPISOYBJWRP-RISCZKNCSA-N 1 3 296.415 -0.694 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246214901 825652377 /nfs/dbraw/zinc/65/23/77/825652377.db2.gz LAYMPISOYBJWRP-FZMZJTMJSA-N 1 3 296.415 -0.694 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCNC2)CC1 ZINC001246255108 825656629 /nfs/dbraw/zinc/65/66/29/825656629.db2.gz JZVLWJJDIYLKCU-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO COc1ccc(CN[C@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246263882 825657714 /nfs/dbraw/zinc/65/77/14/825657714.db2.gz VDPRWNBDRNJRAN-JTQLQIEISA-N 1 3 263.345 -0.331 20 0 CBADHO C[C@@H]1C[C@@H](NCCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335725 825665341 /nfs/dbraw/zinc/66/53/41/825665341.db2.gz LOIFWJYGPUOOSN-OLZOCXBDSA-N 1 3 289.445 -0.163 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CCN1 ZINC001246335725 825665345 /nfs/dbraw/zinc/66/53/45/825665345.db2.gz LOIFWJYGPUOOSN-OLZOCXBDSA-N 1 3 289.445 -0.163 20 0 CBADHO C[C@@H]1C[C@H](NCCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335722 825665671 /nfs/dbraw/zinc/66/56/71/825665671.db2.gz LOIFWJYGPUOOSN-CHWSQXEVSA-N 1 3 289.445 -0.163 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CCN1 ZINC001246335722 825665676 /nfs/dbraw/zinc/66/56/76/825665676.db2.gz LOIFWJYGPUOOSN-CHWSQXEVSA-N 1 3 289.445 -0.163 20 0 CBADHO NC(=O)[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246455401 825674935 /nfs/dbraw/zinc/67/49/35/825674935.db2.gz WXMYVRJEDXXCBA-CHWSQXEVSA-N 1 3 274.368 -0.103 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517809 825678632 /nfs/dbraw/zinc/67/86/32/825678632.db2.gz MUXJHEKVEBWQOP-RWMBFGLXSA-N 1 3 267.373 -0.132 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517806 825679188 /nfs/dbraw/zinc/67/91/88/825679188.db2.gz MUXJHEKVEBWQOP-AVGNSLFASA-N 1 3 267.373 -0.132 20 0 CBADHO CCOC(=O)c1cn([C@H]2CCNC3(C[NH2+]C3)C2)nc1CN ZINC001246534312 825681254 /nfs/dbraw/zinc/68/12/54/825681254.db2.gz XHGBLZLGFGBOJO-JTQLQIEISA-N 1 3 293.371 -0.215 20 0 CBADHO CCOC(=O)CN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246540853 825683021 /nfs/dbraw/zinc/68/30/21/825683021.db2.gz UBBYTNGLAIEKOY-CYBMUJFWSA-N 1 3 296.415 -0.739 20 0 CBADHO c1cnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246538919 825683044 /nfs/dbraw/zinc/68/30/44/825683044.db2.gz OSZQRJZZRHOMHC-CYBMUJFWSA-N 1 3 288.399 -0.307 20 0 CBADHO COC(=O)[C@@]1(F)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548568 825685037 /nfs/dbraw/zinc/68/50/37/825685037.db2.gz IZOCEUWXAORKHV-ZWNOBZJWSA-N 1 3 271.336 -0.333 20 0 CBADHO OC[C@@H]1C[C@@H](F)CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553474 825685065 /nfs/dbraw/zinc/68/50/65/825685065.db2.gz YFTYRRPJQOGTNS-UTUOFQBUSA-N 1 3 257.353 -0.267 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583216 825690552 /nfs/dbraw/zinc/69/05/52/825690552.db2.gz IVBRGOJGVBYKQL-TUAOUCFPSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583216 825690554 /nfs/dbraw/zinc/69/05/54/825690554.db2.gz IVBRGOJGVBYKQL-TUAOUCFPSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583212 825690999 /nfs/dbraw/zinc/69/09/99/825690999.db2.gz IVBRGOJGVBYKQL-SRVKXCTJSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCCC3(C2)OCCO3)C[C@@H]1O ZINC001246583212 825691004 /nfs/dbraw/zinc/69/10/04/825691004.db2.gz IVBRGOJGVBYKQL-SRVKXCTJSA-N 1 3 256.346 -0.077 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246599691 825694356 /nfs/dbraw/zinc/69/43/56/825694356.db2.gz DGTUOWMAKOPTCP-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C1C[C@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246619452 825696536 /nfs/dbraw/zinc/69/65/36/825696536.db2.gz RJRWCAVMQFOUNJ-WOPDTQHZSA-N 1 3 252.362 -0.709 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@@H]1CCCNC1)C2 ZINC001246642674 825700767 /nfs/dbraw/zinc/70/07/67/825700767.db2.gz MVDUKSFAHWEYMA-LOWVWBTDSA-N 1 3 254.330 -0.140 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@@H]1CCCNC1)C2 ZINC001246642674 825700773 /nfs/dbraw/zinc/70/07/73/825700773.db2.gz MVDUKSFAHWEYMA-LOWVWBTDSA-N 1 3 254.330 -0.140 20 0 CBADHO COCCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246683068 825706454 /nfs/dbraw/zinc/70/64/54/825706454.db2.gz YJSGZAWVFCNMRS-CYBMUJFWSA-N 1 3 268.405 -0.656 20 0 CBADHO COCC[N@H+]([C@H]1CN[C@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001246779540 825710055 /nfs/dbraw/zinc/71/00/55/825710055.db2.gz QBGRHAKJXVFBGB-KGLIPLIRSA-N 1 3 299.415 -0.068 20 0 CBADHO COCC[N@@H+]([C@H]1CN[C@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001246779540 825710059 /nfs/dbraw/zinc/71/00/59/825710059.db2.gz QBGRHAKJXVFBGB-KGLIPLIRSA-N 1 3 299.415 -0.068 20 0 CBADHO C([C@@H]1CCCO1)N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778669 825710824 /nfs/dbraw/zinc/71/08/24/825710824.db2.gz WPTVDTJGYDYYJJ-GJZGRUSLSA-N 1 3 294.443 -0.123 20 0 CBADHO c1cnnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246811673 825714896 /nfs/dbraw/zinc/71/48/96/825714896.db2.gz GNIZHVHKKUAPEG-CYBMUJFWSA-N 1 3 288.399 -0.307 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CN1 ZINC001246849108 825721524 /nfs/dbraw/zinc/72/15/24/825721524.db2.gz YAXVGWUJLZPNTB-RNJOBUHISA-N 1 3 267.373 -0.179 20 0 CBADHO CC[C@H]1C[C@H](N2CCNC[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856617 825722294 /nfs/dbraw/zinc/72/22/94/825722294.db2.gz DSHZUVAGDNRNCY-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1CCC[N@H+](C)CC1 ZINC001246858039 825722817 /nfs/dbraw/zinc/72/28/17/825722817.db2.gz ZJSVULDUBPAGQY-RYUDHWBXSA-N 1 3 255.362 -0.083 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1CCC[N@@H+](C)CC1 ZINC001246858039 825722820 /nfs/dbraw/zinc/72/28/20/825722820.db2.gz ZJSVULDUBPAGQY-RYUDHWBXSA-N 1 3 255.362 -0.083 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001246873358 825727675 /nfs/dbraw/zinc/72/76/75/825727675.db2.gz UXJYLTIZGFPPJD-MDZLAQPJSA-N 1 3 253.346 -0.343 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001246873358 825727683 /nfs/dbraw/zinc/72/76/83/825727683.db2.gz UXJYLTIZGFPPJD-MDZLAQPJSA-N 1 3 253.346 -0.343 20 0 CBADHO C[C@@H]1CN(C2CN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@H](C)O1 ZINC001246986007 825739420 /nfs/dbraw/zinc/73/94/20/825739420.db2.gz DNTHAUJZNMWDSN-MJBXVCDLSA-N 1 3 294.443 -0.126 20 0 CBADHO CN(C)C[C@@]12C[C@@H]1C[N@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251021409 825764824 /nfs/dbraw/zinc/76/48/24/825764824.db2.gz KMNJRASXHPJFRW-RBSFLKMASA-N 1 3 283.416 -0.437 20 0 CBADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251021409 825764829 /nfs/dbraw/zinc/76/48/29/825764829.db2.gz KMNJRASXHPJFRW-RBSFLKMASA-N 1 3 283.416 -0.437 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCN(C2COC2)C1 ZINC001253206932 825905379 /nfs/dbraw/zinc/90/53/79/825905379.db2.gz UHZIWBIUXRHTAB-GXTWGEPZSA-N 1 3 271.405 -0.248 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CNCCCCN1C(=O)C=CC1=O ZINC001253214400 825907526 /nfs/dbraw/zinc/90/75/26/825907526.db2.gz PZQAPLUEEFERKC-ZDUSSCGKSA-N 1 3 297.399 -0.016 20 0 CBADHO Nc1ccncc1-c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001254058508 825938224 /nfs/dbraw/zinc/93/82/24/825938224.db2.gz DPWXRTFIGLPNHI-SECBINFHSA-N 1 3 260.301 -0.259 20 0 CBADHO C[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)C(N)=O ZINC001255675029 825992356 /nfs/dbraw/zinc/99/23/56/825992356.db2.gz BGYFCZHWVVCVEU-PBYDBYKOSA-N 1 3 296.415 -0.030 20 0 CBADHO [NH3+]C[C@@H](O)CNC1CCN(c2ncccn2)CC1 ZINC001256045611 826000465 /nfs/dbraw/zinc/00/04/65/826000465.db2.gz RIYJOKBMDQHHNM-LLVKDONJSA-N 1 3 251.334 -0.645 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)N1CCN(CCC[NH3+])CC1 ZINC001256326785 826010838 /nfs/dbraw/zinc/01/08/38/826010838.db2.gz SZABEGXCWCWYBN-CQSZACIVSA-N 1 3 298.431 -0.410 20 0 CBADHO [NH3+]C[C@@]1(NC2CCS(=O)(=O)CC2)CN2CCC1CC2 ZINC001256379757 826019668 /nfs/dbraw/zinc/01/96/68/826019668.db2.gz BTXMCJUXMMKTBK-CYBMUJFWSA-N 1 3 287.429 -0.424 20 0 CBADHO COC(=O)[C@@H](CN)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682516 826030067 /nfs/dbraw/zinc/03/00/67/826030067.db2.gz KAZAZKIPVOKHED-HSBZDZAISA-N 1 3 299.415 -0.033 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC001261460260 826517173 /nfs/dbraw/zinc/51/71/73/826517173.db2.gz XQVPVXUKRCUYNO-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001261631957 826548004 /nfs/dbraw/zinc/54/80/04/826548004.db2.gz KPDQLFBWHIQBRF-ZETCQYMHSA-N 1 3 268.321 -0.965 20 0 CBADHO OC[C@H]1[C@@H]2CN(C/C=C/C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001261637270 826552015 /nfs/dbraw/zinc/55/20/15/826552015.db2.gz MUBJCWIWJFJXID-CHXOHTFWSA-N 1 3 278.396 -0.117 20 0 CBADHO OC[C@H]1[C@@H]2CN(C/C=C/C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001261637270 826552020 /nfs/dbraw/zinc/55/20/20/826552020.db2.gz MUBJCWIWJFJXID-CHXOHTFWSA-N 1 3 278.396 -0.117 20 0 CBADHO CNC(=O)CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC001261642564 826552770 /nfs/dbraw/zinc/55/27/70/826552770.db2.gz NCMKCMRACGXTIK-GFCCVEGCSA-N 1 3 255.362 -0.347 20 0 CBADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC001261646921 826555197 /nfs/dbraw/zinc/55/51/97/826555197.db2.gz BPBORUBSWLFRKV-NSHDSACASA-N 1 3 265.357 -0.423 20 0 CBADHO C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCCN1 ZINC001261836717 826595214 /nfs/dbraw/zinc/59/52/14/826595214.db2.gz JVAHOQCDSYBCCZ-RFGFWPKPSA-N 1 3 269.389 -0.279 20 0 CBADHO [NH3+][C@H]1CC[C@H](C(=O)N2CCOC3(CNC3)C2)CC1 ZINC001261887044 826604252 /nfs/dbraw/zinc/60/42/52/826604252.db2.gz WGYFWCVIAYRLIE-XYPYZODXSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001262038991 826627470 /nfs/dbraw/zinc/62/74/70/826627470.db2.gz DYKWUDFUACJAPE-WRWGMCAJSA-N 1 3 268.405 -0.232 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CCN1 ZINC001263067514 826731519 /nfs/dbraw/zinc/73/15/19/826731519.db2.gz OXZLIIKHUYWIRP-LLVKDONJSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263103253 826738697 /nfs/dbraw/zinc/73/86/97/826738697.db2.gz UELMWRLHENTIAG-UKRRQHHQSA-N 1 3 298.431 -0.757 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001263107799 826739546 /nfs/dbraw/zinc/73/95/46/826739546.db2.gz GKFOYIGVIZBIHP-NEPJUHHUSA-N 1 3 254.378 -0.380 20 0 CBADHO CC[C@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCC[NH2+]1 ZINC001263155778 826745425 /nfs/dbraw/zinc/74/54/25/826745425.db2.gz FPAZNKYUMWIORF-ZWNOBZJWSA-N 1 3 253.346 -0.234 20 0 CBADHO Cc1cc(C[NH3+])oc1C(=O)N1CCNC[C@@H]1CO ZINC001263180769 826751024 /nfs/dbraw/zinc/75/10/24/826751024.db2.gz URWPGQAKCKWGQW-SECBINFHSA-N 1 3 253.302 -0.547 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001263322146 826764076 /nfs/dbraw/zinc/76/40/76/826764076.db2.gz FNDJOPZRTWSVGR-SNVBAGLBSA-N 1 3 265.361 -0.002 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001265444190 826892219 /nfs/dbraw/zinc/89/22/19/826892219.db2.gz OGKBZKMKFRENIW-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001265452500 826893816 /nfs/dbraw/zinc/89/38/16/826893816.db2.gz JRRWQUCRCXXLPD-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001265452500 826893827 /nfs/dbraw/zinc/89/38/27/826893827.db2.gz JRRWQUCRCXXLPD-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001265459789 826894904 /nfs/dbraw/zinc/89/49/04/826894904.db2.gz NEFNVQMDTKDJEP-ZDUSSCGKSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001266640644 827038436 /nfs/dbraw/zinc/03/84/36/827038436.db2.gz XXDSAQKFOMVPLF-SRVKXCTJSA-N 1 3 257.378 -0.056 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001266713210 827055974 /nfs/dbraw/zinc/05/59/74/827055974.db2.gz RRUVZPCLVOZARE-UPJWGTAASA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001266713209 827056235 /nfs/dbraw/zinc/05/62/35/827056235.db2.gz RRUVZPCLVOZARE-RWMBFGLXSA-N 1 3 269.389 -0.053 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)C ZINC001267379648 827161713 /nfs/dbraw/zinc/16/17/13/827161713.db2.gz BHWHEBQZMSLESX-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)C ZINC001267379648 827161716 /nfs/dbraw/zinc/16/17/16/827161716.db2.gz BHWHEBQZMSLESX-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267428936 827169703 /nfs/dbraw/zinc/16/97/03/827169703.db2.gz HHZXFWLZEGDKKB-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267428936 827169709 /nfs/dbraw/zinc/16/97/09/827169709.db2.gz HHZXFWLZEGDKKB-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CC1)N(C)C ZINC001268321882 827299611 /nfs/dbraw/zinc/29/96/11/827299611.db2.gz OLULKSLRAISOBN-NEPJUHHUSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625277 827381821 /nfs/dbraw/zinc/38/18/21/827381821.db2.gz MEBOSDAOHXALJR-AGFGORMFSA-N 1 3 296.415 -0.323 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625277 827381830 /nfs/dbraw/zinc/38/18/30/827381830.db2.gz MEBOSDAOHXALJR-AGFGORMFSA-N 1 3 296.415 -0.323 20 0 CBADHO CN(CCC[NH2+]Cc1cnnn1C)C(=O)CN1CCCC1 ZINC001268949985 827444048 /nfs/dbraw/zinc/44/40/48/827444048.db2.gz HSOWYDCXVUAEQR-UHFFFAOYSA-N 1 3 294.403 -0.151 20 0 CBADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCO ZINC001269498211 827515396 /nfs/dbraw/zinc/51/53/96/827515396.db2.gz PZPNKTPGRAKTHD-SNVBAGLBSA-N 1 3 254.334 -0.263 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001270672093 827588665 /nfs/dbraw/zinc/58/86/65/827588665.db2.gz HVBMROQBXBRGOF-ZDUSSCGKSA-N 1 3 280.416 -0.214 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001271090646 827621570 /nfs/dbraw/zinc/62/15/70/827621570.db2.gz BIZXGRAVKCNKDL-NXEZZACHSA-N 1 3 258.366 -0.752 20 0 CBADHO C[C@H](C[NH2+]CCO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001271100268 827622747 /nfs/dbraw/zinc/62/27/47/827622747.db2.gz GUJFDMFEXPQEBR-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO CN1CC[C@H]2[C@@H]1CCN2C(=O)C1(O)CC[NH+](C)CC1 ZINC001271801237 827727448 /nfs/dbraw/zinc/72/74/48/827727448.db2.gz GCONQMUBPIAUGX-RYUDHWBXSA-N 1 3 267.373 -0.252 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)CCC1 ZINC001272458460 827802430 /nfs/dbraw/zinc/80/24/30/827802430.db2.gz YXXKSGUQPFIYJS-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001273342671 827890314 /nfs/dbraw/zinc/89/03/14/827890314.db2.gz OWRHEJCBDGVYTP-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)C12CC[NH+](CC1)C2 ZINC001273709907 827920913 /nfs/dbraw/zinc/92/09/13/827920913.db2.gz BXSALJFPLQXNOM-UHFFFAOYSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047655 827955896 /nfs/dbraw/zinc/95/58/96/827955896.db2.gz SBIOOAFNASIYJC-TZMCWYRMSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047655 827955901 /nfs/dbraw/zinc/95/59/01/827955901.db2.gz SBIOOAFNASIYJC-TZMCWYRMSA-N 1 3 269.389 -0.147 20 0 CBADHO CNC(=O)CN1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274073498 827966365 /nfs/dbraw/zinc/96/63/65/827966365.db2.gz NYQZKIBIRBSPAY-CQSZACIVSA-N 1 3 282.388 -0.782 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518447 827996460 /nfs/dbraw/zinc/99/64/60/827996460.db2.gz GVIPRERZVCGRSQ-FVWNJDPFSA-N 1 3 298.431 -0.031 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518446 827996750 /nfs/dbraw/zinc/99/67/50/827996750.db2.gz GVIPRERZVCGRSQ-AHYBDNRGSA-N 1 3 298.431 -0.031 20 0 CBADHO COCC[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001274579480 828006761 /nfs/dbraw/zinc/00/67/61/828006761.db2.gz UTQNKBRRTIOARX-IHWYPQMZSA-N 1 3 255.362 -0.009 20 0 CBADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@H](C)O ZINC001274611865 828012478 /nfs/dbraw/zinc/01/24/78/828012478.db2.gz XCNRJWUTTSXNRD-FJOGCWAESA-N 1 3 257.378 -0.031 20 0 CBADHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](C)CC3)[C@H]2C1 ZINC001275045874 828052876 /nfs/dbraw/zinc/05/28/76/828052876.db2.gz TVZHXHIFJBKLET-RYUDHWBXSA-N 1 3 294.399 -0.783 20 0 CBADHO C[NH+](C)CCN1C[C@H]2CN(C[C@@H]3CCOC3)C[C@@H](C1)O2 ZINC001275172788 828062522 /nfs/dbraw/zinc/06/25/22/828062522.db2.gz VRCBHELQPWJXOO-SOUVJXGZSA-N 1 3 283.416 -0.031 20 0 CBADHO C[NH+](C)CCN1CCC2(CN(C[C@H]3CCC(=O)N3)C2)C1 ZINC001275187680 828064432 /nfs/dbraw/zinc/06/44/32/828064432.db2.gz KOUIFBKMFIKGSP-CYBMUJFWSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@@H](O)C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001276386859 828144434 /nfs/dbraw/zinc/14/44/34/828144434.db2.gz PWYKKWJIQJVRHM-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO COC(=O)[C@@H](C)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276521572 828148399 /nfs/dbraw/zinc/14/83/99/828148399.db2.gz DCCQZAYGTFAXLR-MELADBBJSA-N 1 3 299.415 -0.258 20 0 CBADHO Cn1cncc1N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277769806 828208517 /nfs/dbraw/zinc/20/85/17/828208517.db2.gz UWKOFSZMTZAJSC-STQMWFEESA-N 1 3 279.388 -0.129 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001277980026 828224865 /nfs/dbraw/zinc/22/48/65/828224865.db2.gz CQXJYFZLLZVBIW-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226830 /nfs/dbraw/zinc/22/68/30/828226830.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 1 3 282.388 -0.796 20 0 CBADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226837 /nfs/dbraw/zinc/22/68/37/828226837.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 1 3 282.388 -0.796 20 0 CBADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226843 /nfs/dbraw/zinc/22/68/43/828226843.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 1 3 282.388 -0.796 20 0 CBADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC001277981951 828226848 /nfs/dbraw/zinc/22/68/48/828226848.db2.gz QQNQKADCKLULRE-TXEJJXNPSA-N 1 3 282.388 -0.796 20 0 CBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(N)=O ZINC001277986681 828228044 /nfs/dbraw/zinc/22/80/44/828228044.db2.gz BJVCNKCIMFZTBH-SNVBAGLBSA-N 1 3 268.361 -0.996 20 0 CBADHO CC[C@@H](C(N)=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278032553 828232769 /nfs/dbraw/zinc/23/27/69/828232769.db2.gz SGAKMAWHEBVQRU-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417780 828269334 /nfs/dbraw/zinc/26/93/34/828269334.db2.gz XNGSGVWWOBGALG-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417779 828269551 /nfs/dbraw/zinc/26/95/51/828269551.db2.gz XNGSGVWWOBGALG-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001279025276 828315384 /nfs/dbraw/zinc/31/53/84/828315384.db2.gz NFQGUTBRCJBSCR-QWRGUYRKSA-N 1 3 266.345 -0.229 20 0 CBADHO CCN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509660 828328713 /nfs/dbraw/zinc/32/87/13/828328713.db2.gz LYGAPEHXPJKBIP-CYBMUJFWSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[C@]1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC001347182144 890427405 /nfs/dbraw/zinc/42/74/05/890427405.db2.gz YPJIQMISLYMECJ-LBPRGKRZSA-N 1 3 253.346 -0.423 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)c1[nH]nc2c1CNCC2 ZINC001349608764 890849364 /nfs/dbraw/zinc/84/93/64/890849364.db2.gz UNEARBYKIHGRLB-UHFFFAOYSA-N 1 3 281.360 -0.637 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC001349808790 890895919 /nfs/dbraw/zinc/89/59/19/890895919.db2.gz QWKDZUBNCLGSSR-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001188146175 884719997 /nfs/dbraw/zinc/71/99/97/884719997.db2.gz XJXYHJXABQGYRL-GFCCVEGCSA-N 1 3 284.404 -0.395 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331967769 887069195 /nfs/dbraw/zinc/06/91/95/887069195.db2.gz CCEZVRLFAITONJ-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001331967769 887069210 /nfs/dbraw/zinc/06/92/10/887069210.db2.gz CCEZVRLFAITONJ-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO NC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC001332449587 887287758 /nfs/dbraw/zinc/28/77/58/887287758.db2.gz JEDZTHHBGWVVEY-MNOVXSKESA-N 1 3 253.346 -0.168 20 0 CBADHO C[NH2+]CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333532325 887675999 /nfs/dbraw/zinc/67/59/99/887675999.db2.gz OWQUQMOVLZZCQG-LBPRGKRZSA-N 1 3 270.377 -0.242 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001338518345 889170860 /nfs/dbraw/zinc/17/08/60/889170860.db2.gz ALBWGHXTLKSANK-WDEREUQCSA-N 1 3 268.361 -0.360 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340298713 889419066 /nfs/dbraw/zinc/41/90/66/889419066.db2.gz XAEBDXXMLJWTKQ-JSGCOSHPSA-N 1 3 266.389 -0.508 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001340942967 889520198 /nfs/dbraw/zinc/52/01/98/889520198.db2.gz GKWCLFYYIYWTOJ-MNOVXSKESA-N 1 3 254.378 -0.606 20 0 CBADHO C[C@@H](C(=O)N1CCC2(CC1)CNCCO2)[C@H](C)[NH3+] ZINC001341206704 889557389 /nfs/dbraw/zinc/55/73/89/889557389.db2.gz RVZLXXAXCMGZRA-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341627073 889633703 /nfs/dbraw/zinc/63/37/03/889633703.db2.gz LJJBVBDILXGSSD-CHWSQXEVSA-N 1 3 268.405 -0.275 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001341951783 889689659 /nfs/dbraw/zinc/68/96/59/889689659.db2.gz RVMZUFRZSISZKK-VXGBXAGGSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001443985857 912322585 /nfs/dbraw/zinc/32/25/85/912322585.db2.gz OFWBWTKWMHMRPD-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001443985853 912325779 /nfs/dbraw/zinc/32/57/79/912325779.db2.gz OFWBWTKWMHMRPD-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001342696027 889818912 /nfs/dbraw/zinc/81/89/12/889818912.db2.gz LFZABOOUMGOPJR-AVGNSLFASA-N 1 3 269.389 -0.101 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001343039472 889857378 /nfs/dbraw/zinc/85/73/78/889857378.db2.gz XVECZNUSBPYOQA-NXEZZACHSA-N 1 3 257.334 -0.617 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001444249325 912399487 /nfs/dbraw/zinc/39/94/87/912399487.db2.gz ZNSIKIUZHNTMTD-QJPTWQEYSA-N 1 3 282.388 -0.465 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC001343697216 889950588 /nfs/dbraw/zinc/95/05/88/889950588.db2.gz HRKIQHQCPQNGKW-DCAQKATOSA-N 1 3 268.361 -0.998 20 0 CBADHO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCOC2(CNC2)C1 ZINC001344093767 890004135 /nfs/dbraw/zinc/00/41/35/890004135.db2.gz UYRCHDSHTMSZSL-OUAUKWLOSA-N 1 3 251.330 -0.957 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001344504670 890032168 /nfs/dbraw/zinc/03/21/68/890032168.db2.gz HUROBEAVRCJPCB-GIPNMCIBSA-N 1 3 269.345 -0.332 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444602117 912477671 /nfs/dbraw/zinc/47/76/71/912477671.db2.gz ZPYDSBPFUYDYQK-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444602117 912477679 /nfs/dbraw/zinc/47/76/79/912477679.db2.gz ZPYDSBPFUYDYQK-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001444626733 912481652 /nfs/dbraw/zinc/48/16/52/912481652.db2.gz XXYMMBOLEXYZEU-NWDGAFQWSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444627958 912482118 /nfs/dbraw/zinc/48/21/18/912482118.db2.gz HZBUZAOIRSFVDU-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001444691862 912490736 /nfs/dbraw/zinc/49/07/36/912490736.db2.gz RIKAKWIGENGAID-ZYHUDNBSSA-N 1 3 284.360 -0.604 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444701238 912495048 /nfs/dbraw/zinc/49/50/48/912495048.db2.gz YLFVSUOJHJZJLK-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001444736753 912498648 /nfs/dbraw/zinc/49/86/48/912498648.db2.gz WQCDCJIOWRNKFP-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001444873930 912513952 /nfs/dbraw/zinc/51/39/52/912513952.db2.gz OVLYJGZKQZKOIN-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH2+][C@@H]1CCN(C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001345944733 890185977 /nfs/dbraw/zinc/18/59/77/890185977.db2.gz VDEHKEYTXSFFJP-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO C[N@H+](C[C@@H](O)CNCC[C@]1(O)CCCOC1)C1CC1 ZINC001346298789 890261172 /nfs/dbraw/zinc/26/11/72/890261172.db2.gz HRXNNOYFQLJTCB-UONOGXRCSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCC[C@]1(O)CCCOC1)C1CC1 ZINC001346298789 890261186 /nfs/dbraw/zinc/26/11/86/890261186.db2.gz HRXNNOYFQLJTCB-UONOGXRCSA-N 1 3 272.389 -0.037 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001346385975 890281333 /nfs/dbraw/zinc/28/13/33/890281333.db2.gz YEYHGCWDABFWDR-QJPTWQEYSA-N 1 3 255.362 -0.321 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001346385975 890281347 /nfs/dbraw/zinc/28/13/47/890281347.db2.gz YEYHGCWDABFWDR-QJPTWQEYSA-N 1 3 255.362 -0.321 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445332749 912636862 /nfs/dbraw/zinc/63/68/62/912636862.db2.gz YQINNISRVVIZIM-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445332749 912636865 /nfs/dbraw/zinc/63/68/65/912636865.db2.gz YQINNISRVVIZIM-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CN(C)C(C)C ZINC001445335772 912638330 /nfs/dbraw/zinc/63/83/30/912638330.db2.gz UZAUWSXDCYOYQX-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445362801 912646458 /nfs/dbraw/zinc/64/64/58/912646458.db2.gz LFGOXIFDINLAMO-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445362801 912646462 /nfs/dbraw/zinc/64/64/62/912646462.db2.gz LFGOXIFDINLAMO-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445437550 912665939 /nfs/dbraw/zinc/66/59/39/912665939.db2.gz NSPRRTDRZTUYRP-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445482136 912675852 /nfs/dbraw/zinc/67/58/52/912675852.db2.gz PHQDHUGZIWMIBM-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001445599301 912708490 /nfs/dbraw/zinc/70/84/90/912708490.db2.gz MLYZJXHCNHUVAS-YFKTTZPYSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001445599301 912708498 /nfs/dbraw/zinc/70/84/98/912708498.db2.gz MLYZJXHCNHUVAS-YFKTTZPYSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445869149 912774690 /nfs/dbraw/zinc/77/46/90/912774690.db2.gz MNUHWHFRNRWHMM-OLZOCXBDSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445869149 912774700 /nfs/dbraw/zinc/77/47/00/912774700.db2.gz MNUHWHFRNRWHMM-OLZOCXBDSA-N 1 3 294.403 -0.334 20 0 CBADHO C[NH+](C)CCCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001446231666 912844968 /nfs/dbraw/zinc/84/49/68/912844968.db2.gz YDHGAXLZHUUUIT-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN(C)C(C)C)n1 ZINC001152426425 884676014 /nfs/dbraw/zinc/67/60/14/884676014.db2.gz HOBXLEGRRBIGCR-UHFFFAOYSA-N 1 3 296.419 -0.059 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001188158544 884721333 /nfs/dbraw/zinc/72/13/33/884721333.db2.gz SNDLVJQGMIDWND-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001188158342 884721971 /nfs/dbraw/zinc/72/19/71/884721971.db2.gz LLSJEPZSXQCXSK-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145701 884722302 /nfs/dbraw/zinc/72/23/02/884722302.db2.gz KLWZSFMXPYCZCE-LLVKDONJSA-N 1 3 270.377 -0.737 20 0 CBADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203455720 884749541 /nfs/dbraw/zinc/74/95/41/884749541.db2.gz KNZFJWOTPWANEP-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203455572 884749649 /nfs/dbraw/zinc/74/96/49/884749649.db2.gz GHQGVNUTBUDWBG-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001210811946 884765551 /nfs/dbraw/zinc/76/55/51/884765551.db2.gz RYRRIJYNYISDIP-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210810676 884766371 /nfs/dbraw/zinc/76/63/71/884766371.db2.gz CKOIEHINGFSTPD-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@H]1CCCC[NH2+]1 ZINC001211354847 884771373 /nfs/dbraw/zinc/77/13/73/884771373.db2.gz RJURMPWDFMKNDQ-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1COCN1 ZINC001219794361 884792668 /nfs/dbraw/zinc/79/26/68/884792668.db2.gz XZMVCYVWXPBNPR-ZDUSSCGKSA-N 1 3 282.388 -0.735 20 0 CBADHO [NH3+][C@@H](C(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC001326292810 884972763 /nfs/dbraw/zinc/97/27/63/884972763.db2.gz LBPMGWOVISNOLV-VXGBXAGGSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]CCCOC1CCN(CC(=O)N2CCNCC2)CC1 ZINC001326308449 884979371 /nfs/dbraw/zinc/97/93/71/884979371.db2.gz BFTCHLYWHNUSAJ-UHFFFAOYSA-N 1 3 284.404 -0.752 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001326439066 885026247 /nfs/dbraw/zinc/02/62/47/885026247.db2.gz USKMMHYZRZWTSW-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001446453738 912890086 /nfs/dbraw/zinc/89/00/86/912890086.db2.gz SNJJKGVJNIKQDN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001446453738 912890108 /nfs/dbraw/zinc/89/01/08/912890108.db2.gz SNJJKGVJNIKQDN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO NC(=O)CCNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001326600306 885080848 /nfs/dbraw/zinc/08/08/48/885080848.db2.gz VKGLSHQUUVTLJQ-VXGBXAGGSA-N 1 3 255.362 -0.171 20 0 CBADHO C[NH2+]CCCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001326937824 885197172 /nfs/dbraw/zinc/19/71/72/885197172.db2.gz MVEUDJQLTHZGAW-GFCCVEGCSA-N 1 3 280.376 -0.100 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOCCCO ZINC001326950230 885200434 /nfs/dbraw/zinc/20/04/34/885200434.db2.gz YEKPBSCNSQQJQK-LBPRGKRZSA-N 1 3 272.393 -0.016 20 0 CBADHO COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001327033805 885233259 /nfs/dbraw/zinc/23/32/59/885233259.db2.gz HWIQVXAXMFIEQK-CYBMUJFWSA-N 1 3 296.371 -0.194 20 0 CBADHO COCC[NH2+]CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001327104308 885256684 /nfs/dbraw/zinc/25/66/84/885256684.db2.gz GQVYDWYLRQEYQV-GFCCVEGCSA-N 1 3 296.375 -0.864 20 0 CBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446718912 912924202 /nfs/dbraw/zinc/92/42/02/912924202.db2.gz QYSFJOUQQOWIGY-UHFFFAOYSA-N 1 3 287.404 -0.426 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001327570082 885407840 /nfs/dbraw/zinc/40/78/40/885407840.db2.gz OBESZXKUOFHLPH-ONGXEEELSA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@@H](C[NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327579052 885413232 /nfs/dbraw/zinc/41/32/32/885413232.db2.gz MGEVMTRLQZRDIS-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001327682025 885451878 /nfs/dbraw/zinc/45/18/78/885451878.db2.gz ITGRXMHCYFJDRK-QWHCGFSZSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758171 912941161 /nfs/dbraw/zinc/94/11/61/912941161.db2.gz NEYGQVWMQJKUNB-TZMCWYRMSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758171 912941172 /nfs/dbraw/zinc/94/11/72/912941172.db2.gz NEYGQVWMQJKUNB-TZMCWYRMSA-N 1 3 299.415 -0.596 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001328340303 885642812 /nfs/dbraw/zinc/64/28/12/885642812.db2.gz RRDPJNDXACDVFU-SFYZADRCSA-N 1 3 251.277 -0.455 20 0 CBADHO CC[NH2+]CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001328523833 885715723 /nfs/dbraw/zinc/71/57/23/885715723.db2.gz GGGUKQDRXHDPBQ-LLVKDONJSA-N 1 3 266.349 -0.490 20 0 CBADHO CC[NH2+]CC(=O)NCCCCN1CCN(C)CC1 ZINC001329569922 886128792 /nfs/dbraw/zinc/12/87/92/886128792.db2.gz PTKGABPWDKMYLA-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CC[NH2+]3)C2)nn1 ZINC001329497928 886096989 /nfs/dbraw/zinc/09/69/89/886096989.db2.gz AHEJXADFCOMUIJ-WDEREUQCSA-N 1 3 264.333 -0.738 20 0 CBADHO C[C@@H]1C[C@@H](C)N(CC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC001329498724 886097338 /nfs/dbraw/zinc/09/73/38/886097338.db2.gz HYQOTOMRIHKKEM-UPJWGTAASA-N 1 3 268.405 -0.277 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001447165853 913030509 /nfs/dbraw/zinc/03/05/09/913030509.db2.gz RYBWAOTUJDGOCL-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001330600776 886496351 /nfs/dbraw/zinc/49/63/51/886496351.db2.gz AJTLJKIIUTYMFQ-SNVBAGLBSA-N 1 3 263.345 -0.107 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC001330861743 886601928 /nfs/dbraw/zinc/60/19/28/886601928.db2.gz ZTDOVJKPVJUOIC-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330871186 886608100 /nfs/dbraw/zinc/60/81/00/886608100.db2.gz PQGWMGRBRQOEKK-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO COCC[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330885415 886614412 /nfs/dbraw/zinc/61/44/12/886614412.db2.gz BXGGFTHGMIUQAS-USZNOCQGSA-N 1 3 255.362 -0.003 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331413413 886796563 /nfs/dbraw/zinc/79/65/63/886796563.db2.gz POCMEGZNWZNXIM-CKYFFXLPSA-N 1 3 256.350 -0.911 20 0 CBADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC001331474809 886816612 /nfs/dbraw/zinc/81/66/12/886816612.db2.gz LCOWMEOQKJSUQR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC001331474827 886817394 /nfs/dbraw/zinc/81/73/94/886817394.db2.gz LCOWMEOQKJSUQR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC001331490682 886821674 /nfs/dbraw/zinc/82/16/74/886821674.db2.gz ZQSAWGRIPSBWGT-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001447470154 913085216 /nfs/dbraw/zinc/08/52/16/913085216.db2.gz NLGXKKDMKQBOFV-AWEZNQCLSA-N 1 3 287.404 -0.736 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331616223 886865294 /nfs/dbraw/zinc/86/52/94/886865294.db2.gz AANQMSJSSMDWGI-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331617875 886868102 /nfs/dbraw/zinc/86/81/02/886868102.db2.gz ONTWTOVKCYHRGX-BETUJISGSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331658374 886886080 /nfs/dbraw/zinc/88/60/80/886886080.db2.gz OSURIFPKOMOINC-BETUJISGSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665873 886891376 /nfs/dbraw/zinc/89/13/76/886891376.db2.gz CBOPQFGMHKADBD-AVGNSLFASA-N 1 3 296.415 -0.219 20 0 CBADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001447534473 913093710 /nfs/dbraw/zinc/09/37/10/913093710.db2.gz BQZJPQREEXJVLK-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534059 913093853 /nfs/dbraw/zinc/09/38/53/913093853.db2.gz BHTLOZPGLCBBRK-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001447535435 913094426 /nfs/dbraw/zinc/09/44/26/913094426.db2.gz GLIBWFVSMVANQP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)c1c(CN)cnn1C ZINC001331712763 886927533 /nfs/dbraw/zinc/92/75/33/886927533.db2.gz QIQRHICKKBPMOC-UHFFFAOYSA-N 1 3 269.349 -0.813 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH]cn1 ZINC001332026358 887087963 /nfs/dbraw/zinc/08/79/63/887087963.db2.gz JZLUWUONHHRKRN-YPMHNXCESA-N 1 3 296.371 -0.460 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027408 887089241 /nfs/dbraw/zinc/08/92/41/887089241.db2.gz MJTARAPFBLEJIC-NXEZZACHSA-N 1 3 256.350 -0.998 20 0 CBADHO C[C@H](O)CN1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447736258 913111705 /nfs/dbraw/zinc/11/17/05/913111705.db2.gz BFLRTSGOILNIGF-STQMWFEESA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@H](O)CN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001447736258 913111717 /nfs/dbraw/zinc/11/17/17/913111717.db2.gz BFLRTSGOILNIGF-STQMWFEESA-N 1 3 299.415 -0.738 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332331653 887206767 /nfs/dbraw/zinc/20/67/67/887206767.db2.gz KROPKINZSAECTI-JOCQHMNTSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332661 887208230 /nfs/dbraw/zinc/20/82/30/887208230.db2.gz RZMCGIFHIKIBEZ-TXEJJXNPSA-N 1 3 284.404 -0.362 20 0 CBADHO NCC(C[NH3+])NCCOCCOc1ccccc1 ZINC001332335667 887212592 /nfs/dbraw/zinc/21/25/92/887212592.db2.gz ZTYNNZNLUHSHDV-UHFFFAOYSA-N 1 3 253.346 -0.042 20 0 CBADHO COCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001332567311 887357348 /nfs/dbraw/zinc/35/73/48/887357348.db2.gz UOKQGRLDRLXOMJ-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333626637 887722783 /nfs/dbraw/zinc/72/27/83/887722783.db2.gz TUCHMLFHJNHXFO-LBPRGKRZSA-N 1 3 286.420 -0.114 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C=CCC1 ZINC001334256040 887908345 /nfs/dbraw/zinc/90/83/45/887908345.db2.gz YTTZUQPSWMPXPJ-CYBMUJFWSA-N 1 3 296.415 -0.227 20 0 CBADHO [NH3+]C[C@H]1CC2(CO1)CCN([C@H]1CCNC1=O)CC2 ZINC001334336959 887925021 /nfs/dbraw/zinc/92/50/21/887925021.db2.gz FVSJBFUWCHMLLG-MNOVXSKESA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CCC(O)(C[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001335397003 888523137 /nfs/dbraw/zinc/52/31/37/888523137.db2.gz BMHXDUNIZXRCST-NSHDSACASA-N 1 3 258.362 -0.691 20 0 CBADHO C[C@@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449690 888534530 /nfs/dbraw/zinc/53/45/30/888534530.db2.gz UNZYLTGOOJAVJX-CMPLNLGQSA-N 1 3 267.377 -0.037 20 0 CBADHO C[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449690 888534533 /nfs/dbraw/zinc/53/45/33/888534533.db2.gz UNZYLTGOOJAVJX-CMPLNLGQSA-N 1 3 267.377 -0.037 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC001335602486 888580646 /nfs/dbraw/zinc/58/06/46/888580646.db2.gz AAJHVSYGAWJKKY-AXFHLTTASA-N 1 3 256.350 -0.599 20 0 CBADHO [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001336131793 888700509 /nfs/dbraw/zinc/70/05/09/888700509.db2.gz BNOSVUARUZBZDG-IKGCNYHESA-N 1 3 282.388 -0.258 20 0 CBADHO C[C@@H]([NH2+]CC(=O)NCCN1CCCCC1)[C@H](C)O ZINC001336829815 888894102 /nfs/dbraw/zinc/89/41/02/888894102.db2.gz FHBBIKSZRKKYCM-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448426831 913296466 /nfs/dbraw/zinc/29/64/66/913296466.db2.gz IUUGYURVVLCTFA-RVMXOQNASA-N 1 3 296.415 -0.504 20 0 CBADHO Cc1cc(NC(=O)CCNC[C@@]2(O)CC[N@@H+](C)C2)no1 ZINC001338504636 889170652 /nfs/dbraw/zinc/17/06/52/889170652.db2.gz DZEOBXOXFIMVSB-ZDUSSCGKSA-N 1 3 282.344 -0.032 20 0 CBADHO Cc1cc(NC(=O)CCNC[C@@]2(O)CC[N@H+](C)C2)no1 ZINC001338504636 889170656 /nfs/dbraw/zinc/17/06/56/889170656.db2.gz DZEOBXOXFIMVSB-ZDUSSCGKSA-N 1 3 282.344 -0.032 20 0 CBADHO [NH3+]C[C@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001338764895 889201165 /nfs/dbraw/zinc/20/11/65/889201165.db2.gz BMJJJCIPYUXYAK-FIQHERPVSA-N 1 3 268.361 -0.816 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001340477851 889437656 /nfs/dbraw/zinc/43/76/56/889437656.db2.gz RCCQXWDGFWQZLN-LPEHRKFASA-N 1 3 257.334 -0.524 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001340731540 889474615 /nfs/dbraw/zinc/47/46/15/889474615.db2.gz YXXBGUPHOPYDBI-BNOWGMLFSA-N 1 3 266.389 -0.652 20 0 CBADHO CC[C@@H](CO)NCC1(C[NH2+][C@@H](CC)CO)COC1 ZINC001340884707 889507731 /nfs/dbraw/zinc/50/77/31/889507731.db2.gz HSYKPECUPOPYPH-RYUDHWBXSA-N 1 3 260.378 -0.276 20 0 CBADHO COCCNCC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341069876 889538404 /nfs/dbraw/zinc/53/84/04/889538404.db2.gz HOFPAPGNLFCGJR-DGCLKSJQSA-N 1 3 255.362 -0.129 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001341098374 889542402 /nfs/dbraw/zinc/54/24/02/889542402.db2.gz SJMVTYIXEZDVQI-NEPJUHHUSA-N 1 3 254.378 -0.476 20 0 CBADHO O=C([C@@H]1Cc2ccccc2CN1)N1CCNCC[NH2+]CC1 ZINC001341107030 889544993 /nfs/dbraw/zinc/54/49/93/889544993.db2.gz BSFUMOZSTFQCFE-HNNXBMFYSA-N 1 3 288.395 -0.278 20 0 CBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001448721404 913359171 /nfs/dbraw/zinc/35/91/71/913359171.db2.gz RXBXDMOHOWVNPT-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO [NH3+]C1(CC(=O)N2CCC3(CC2)CNCCO3)CC1 ZINC001341313464 889574277 /nfs/dbraw/zinc/57/42/77/889574277.db2.gz JSLBGGYMAOMNAS-UHFFFAOYSA-N 1 3 253.346 -0.151 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001341447629 889597492 /nfs/dbraw/zinc/59/74/92/889597492.db2.gz LROUUGFXQZUKJM-YRGRVCCFSA-N 1 3 266.389 -0.380 20 0 CBADHO [NH3+][C@@H]1C[C@H](C(=O)N2CCOC3(CNC3)C2)[C@H]2C[C@H]21 ZINC001341432758 889598747 /nfs/dbraw/zinc/59/87/47/889598747.db2.gz CYAVMGBNDSQCNV-ZRUFSTJUSA-N 1 3 251.330 -0.830 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001341500990 889609283 /nfs/dbraw/zinc/60/92/83/889609283.db2.gz GNYYXEPZSUUWNP-WXHSDQCUSA-N 1 3 269.389 -0.245 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341620869 889635251 /nfs/dbraw/zinc/63/52/51/889635251.db2.gz ZUOBLAIJUINKLS-MDZLAQPJSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H](O)C[NH2+]1 ZINC001341695507 889650009 /nfs/dbraw/zinc/65/00/09/889650009.db2.gz GNLJTKJRGXCSAH-SGMGOOAPSA-N 1 3 267.373 -0.300 20 0 CBADHO C[NH+](C)CC1(O)CCN(CCCN2C(=O)CNC2=O)CC1 ZINC001341818902 889668102 /nfs/dbraw/zinc/66/81/02/889668102.db2.gz STRUSLPMLLPVMK-UHFFFAOYSA-N 1 3 298.387 -0.683 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341848610 889673990 /nfs/dbraw/zinc/67/39/90/889673990.db2.gz RHKTTWAGLLWLSQ-NEPJUHHUSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C[NH2+]C1 ZINC001341924386 889683280 /nfs/dbraw/zinc/68/32/80/889683280.db2.gz RYMJLPJEYBKWQT-VXGBXAGGSA-N 1 3 267.373 -0.347 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001342110914 889710672 /nfs/dbraw/zinc/71/06/72/889710672.db2.gz HVCIPTBTZQLVPQ-SECBINFHSA-N 1 3 251.334 -0.393 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001342110915 889712029 /nfs/dbraw/zinc/71/20/29/889712029.db2.gz HVCIPTBTZQLVPQ-VIFPVBQESA-N 1 3 251.334 -0.393 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448770418 913373923 /nfs/dbraw/zinc/37/39/23/913373923.db2.gz JRWJYTGJUQQHCG-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001342127141 889714618 /nfs/dbraw/zinc/71/46/18/889714618.db2.gz SWHUFUHVTJTLJV-GHMZBOCLSA-N 1 3 253.346 -0.377 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3CNCCO3)[C@@H]2C1 ZINC001342148614 889720925 /nfs/dbraw/zinc/72/09/25/889720925.db2.gz UKEJKXXZBWXNRN-RVMXOQNASA-N 1 3 267.373 -0.179 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3CNCCO3)[C@@H]2C1 ZINC001342148614 889720938 /nfs/dbraw/zinc/72/09/38/889720938.db2.gz UKEJKXXZBWXNRN-RVMXOQNASA-N 1 3 267.373 -0.179 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC001342159276 889723762 /nfs/dbraw/zinc/72/37/62/889723762.db2.gz KFUUTBIJJXXBEO-LBPRGKRZSA-N 1 3 254.378 -0.604 20 0 CBADHO CC(C)(CC(N)=O)NCCC[NH2+]C(C)(C)CC(N)=O ZINC001342375715 889764013 /nfs/dbraw/zinc/76/40/13/889764013.db2.gz YWTVFJRJBNBLJN-UHFFFAOYSA-N 1 3 272.393 -0.136 20 0 CBADHO CC1(C)CN(C(=O)CNC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC001342507420 889786717 /nfs/dbraw/zinc/78/67/17/889786717.db2.gz YURXQBQOCUDOCP-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]1[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CCN1C ZINC001342569262 889791743 /nfs/dbraw/zinc/79/17/43/889791743.db2.gz IQYGXKNCZSVHSQ-VHSXEESVSA-N 1 3 266.349 -0.551 20 0 CBADHO COC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCCCN1 ZINC001342758337 889823610 /nfs/dbraw/zinc/82/36/10/889823610.db2.gz YKQZFNBVSDJXJN-NQBHXWOUSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)c1c(CN)cnn1C ZINC001343036985 889859590 /nfs/dbraw/zinc/85/95/90/889859590.db2.gz JSYDPNBZALZAFP-JTQLQIEISA-N 1 3 253.350 -0.018 20 0 CBADHO CC[C@@H]1CN(C(=O)[C@H]2CNCCN2C)CC[C@@H]1[NH3+] ZINC001343486544 889919287 /nfs/dbraw/zinc/91/92/87/889919287.db2.gz KXLSQLFKZCEOKH-GRYCIOLGSA-N 1 3 254.378 -0.524 20 0 CBADHO C[C@@H]1CN(C(=O)c2c(CN)cnn2C)CC[C@@H]1C[NH3+] ZINC001345010805 890091477 /nfs/dbraw/zinc/09/14/77/890091477.db2.gz KZLBLXWVUMGLLL-NXEZZACHSA-N 1 3 265.361 -0.064 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC001345163208 890106424 /nfs/dbraw/zinc/10/64/24/890106424.db2.gz ACARZXYLMVAMCP-TUAOUCFPSA-N 1 3 255.362 -0.001 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345715921 890154601 /nfs/dbraw/zinc/15/46/01/890154601.db2.gz PJCXBZGWDCJICU-GVXVVHGQSA-N 1 3 252.362 -0.852 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345727388 890157162 /nfs/dbraw/zinc/15/71/62/890157162.db2.gz KOVZWWCZLPNZFN-CWSCBRNRSA-N 1 3 269.345 -0.475 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001345821752 890168970 /nfs/dbraw/zinc/16/89/70/890168970.db2.gz FILFEXRNWUZNKW-VHSXEESVSA-N 1 3 254.334 -0.310 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001345821753 890169806 /nfs/dbraw/zinc/16/98/06/890169806.db2.gz FILFEXRNWUZNKW-ZJUUUORDSA-N 1 3 254.334 -0.310 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)N3CCNCC3)C[C@@H]21 ZINC001346018230 890198090 /nfs/dbraw/zinc/19/80/90/890198090.db2.gz SRBIAISMOCNPRT-RWMBFGLXSA-N 1 3 266.389 -0.523 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)N3CCNCC3)C[C@H]21 ZINC001346018232 890198385 /nfs/dbraw/zinc/19/83/85/890198385.db2.gz SRBIAISMOCNPRT-YNEHKIRRSA-N 1 3 266.389 -0.523 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@@H](O)CSC)CC1 ZINC001346181955 890232721 /nfs/dbraw/zinc/23/27/21/890232721.db2.gz TUOIFWWLEFLTJK-GFCCVEGCSA-N 1 3 261.435 -0.063 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001347156681 890418510 /nfs/dbraw/zinc/41/85/10/890418510.db2.gz ALLGFEMVIPUDHC-QWHCGFSZSA-N 1 3 284.404 -0.896 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CN(C)CC(C)(C)C ZINC001448912113 913456779 /nfs/dbraw/zinc/45/67/79/913456779.db2.gz TZEWNTMGAXXBFH-VXGBXAGGSA-N 1 3 289.420 -0.588 20 0 CBADHO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CN(C)CC(C)(C)C ZINC001448912109 913457580 /nfs/dbraw/zinc/45/75/80/913457580.db2.gz TZEWNTMGAXXBFH-NWDGAFQWSA-N 1 3 289.420 -0.588 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001348593690 890658780 /nfs/dbraw/zinc/65/87/80/890658780.db2.gz QJTBTBPMSWRBIJ-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001448980976 913476261 /nfs/dbraw/zinc/47/62/61/913476261.db2.gz OIILRSMXTALDLY-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC001349808200 890896044 /nfs/dbraw/zinc/89/60/44/890896044.db2.gz MFZBDSHADDDCHO-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC001351013992 891092057 /nfs/dbraw/zinc/09/20/57/891092057.db2.gz WVZVIWCAZRJXJH-LLVKDONJSA-N 1 3 255.362 -0.347 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001353274939 891391984 /nfs/dbraw/zinc/39/19/84/891391984.db2.gz AEHMUXPMLQAVDJ-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CC[NH2+]C[C@@H](O)C1(O)CCOCC1)N(C)C ZINC001353288459 891396127 /nfs/dbraw/zinc/39/61/27/891396127.db2.gz ZXQBQEVDCZPLQG-VXGBXAGGSA-N 1 3 260.378 -0.181 20 0 CBADHO CC[N@H+](CCNC(=O)[C@H]1CNCCN1C)C(C)C ZINC001353527492 891440635 /nfs/dbraw/zinc/44/06/35/891440635.db2.gz VPPIJYAZQJAMNR-GFCCVEGCSA-N 1 3 256.394 -0.264 20 0 CBADHO CC[N@@H+](CCNC(=O)[C@H]1CNCCN1C)C(C)C ZINC001353527492 891440641 /nfs/dbraw/zinc/44/06/41/891440641.db2.gz VPPIJYAZQJAMNR-GFCCVEGCSA-N 1 3 256.394 -0.264 20 0 CBADHO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC001353518647 891441077 /nfs/dbraw/zinc/44/10/77/891441077.db2.gz SCSIDPMJXMSRQD-WDEREUQCSA-N 1 3 268.361 -0.360 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001353548547 891442837 /nfs/dbraw/zinc/44/28/37/891442837.db2.gz KOJJIYAKBVAZMQ-UPJWGTAASA-N 1 3 268.405 -0.121 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001353548546 891444616 /nfs/dbraw/zinc/44/46/16/891444616.db2.gz KOJJIYAKBVAZMQ-JHJVBQTASA-N 1 3 268.405 -0.121 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001353548548 891444661 /nfs/dbraw/zinc/44/46/61/891444661.db2.gz KOJJIYAKBVAZMQ-XQQFMLRXSA-N 1 3 268.405 -0.121 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449319996 913567305 /nfs/dbraw/zinc/56/73/05/913567305.db2.gz DJEXLFZHOSYPFE-LLVKDONJSA-N 1 3 286.420 -0.068 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449319998 913569461 /nfs/dbraw/zinc/56/94/61/913569461.db2.gz DJEXLFZHOSYPFE-NSHDSACASA-N 1 3 286.420 -0.068 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001354683510 891605593 /nfs/dbraw/zinc/60/55/93/891605593.db2.gz OMIRKMKLUIDYPX-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001354780453 891615065 /nfs/dbraw/zinc/61/50/65/891615065.db2.gz CEJPIBHBPRGKQR-CSMHCCOUSA-N 1 3 269.267 -0.302 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001355496504 891685195 /nfs/dbraw/zinc/68/51/95/891685195.db2.gz BOJJBPXUTYLHGG-KLBPJQLPSA-N 1 3 268.361 -0.905 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@H]1CNCCO1 ZINC001355598860 891695342 /nfs/dbraw/zinc/69/53/42/891695342.db2.gz IVZAGUFKMVLBNX-NTZNESFSSA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC001355817803 891707608 /nfs/dbraw/zinc/70/76/08/891707608.db2.gz DPTQFSSPHISFAH-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO [NH3+]C1(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001356228489 891739672 /nfs/dbraw/zinc/73/96/72/891739672.db2.gz RYTGSXCGWFAXEO-NEPJUHHUSA-N 1 3 267.373 -0.075 20 0 CBADHO O=C(C[NH2+]C[C@@H](O)C1CC1)NCCN1CCCCC1 ZINC001357211150 891862482 /nfs/dbraw/zinc/86/24/82/891862482.db2.gz SRZRKWWRZDASEJ-CYBMUJFWSA-N 1 3 269.389 -0.051 20 0 CBADHO COCCNCC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001358393756 892001155 /nfs/dbraw/zinc/00/11/55/892001155.db2.gz KIWGMSMXMUBLQN-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001365590726 895036547 /nfs/dbraw/zinc/03/65/47/895036547.db2.gz VVAUJWTWWHJZQR-VYHDIPPYSA-N 1 3 296.415 -0.023 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001365590726 895036566 /nfs/dbraw/zinc/03/65/66/895036566.db2.gz VVAUJWTWWHJZQR-VYHDIPPYSA-N 1 3 296.415 -0.023 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365840648 895130893 /nfs/dbraw/zinc/13/08/93/895130893.db2.gz FFZPKADGAQJQEQ-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001365850403 895132243 /nfs/dbraw/zinc/13/22/43/895132243.db2.gz XXJDSVZFNOHGPO-CYDGBPFRSA-N 1 3 296.415 -0.301 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971854 895155996 /nfs/dbraw/zinc/15/59/96/895155996.db2.gz CFOTZFPDGDFSBI-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366090441 895188524 /nfs/dbraw/zinc/18/85/24/895188524.db2.gz NNKPFPQMKASWRT-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001366146399 895205211 /nfs/dbraw/zinc/20/52/11/895205211.db2.gz AQHPDSQLPHIACG-NTZNESFSSA-N 1 3 296.415 -0.029 20 0 CBADHO CC[C@@H](N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308625 895268007 /nfs/dbraw/zinc/26/80/07/895268007.db2.gz ZXUJEVMBENSAEY-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334111 895281275 /nfs/dbraw/zinc/28/12/75/895281275.db2.gz LMZNPQONFNGCJB-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358225 895288080 /nfs/dbraw/zinc/28/80/80/895288080.db2.gz NPFHODZCHQPVAA-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358225 895288088 /nfs/dbraw/zinc/28/80/88/895288088.db2.gz NPFHODZCHQPVAA-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001366346528 895291300 /nfs/dbraw/zinc/29/13/00/895291300.db2.gz ULMVYQDYDRCSDH-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001366346528 895291308 /nfs/dbraw/zinc/29/13/08/895291308.db2.gz ULMVYQDYDRCSDH-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366385976 895306402 /nfs/dbraw/zinc/30/64/02/895306402.db2.gz PLRAYQNBBFTTOA-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001366472111 895327043 /nfs/dbraw/zinc/32/70/43/895327043.db2.gz JJAKIRBPRCSRSY-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)COC ZINC001366639134 895417427 /nfs/dbraw/zinc/41/74/27/895417427.db2.gz FHJLGKHBMRGIKB-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)COC ZINC001366639134 895417438 /nfs/dbraw/zinc/41/74/38/895417438.db2.gz FHJLGKHBMRGIKB-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO COC[C@H](O)CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366759157 895447409 /nfs/dbraw/zinc/44/74/09/895447409.db2.gz HROLOEIJUUGNHV-GXTWGEPZSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366759157 895447415 /nfs/dbraw/zinc/44/74/15/895447415.db2.gz HROLOEIJUUGNHV-GXTWGEPZSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001366764908 895454591 /nfs/dbraw/zinc/45/45/91/895454591.db2.gz CQUOJHYSWODLMR-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366814519 895465083 /nfs/dbraw/zinc/46/50/83/895465083.db2.gz ISASJQNXNNGUST-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(N)=O ZINC001367115661 895565435 /nfs/dbraw/zinc/56/54/35/895565435.db2.gz PYGLLVYFNHGFPF-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367216392 895582362 /nfs/dbraw/zinc/58/23/62/895582362.db2.gz UACCLVHEOYUORL-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367216392 895582372 /nfs/dbraw/zinc/58/23/72/895582372.db2.gz UACCLVHEOYUORL-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO NC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001367226980 895584599 /nfs/dbraw/zinc/58/45/99/895584599.db2.gz FONIUEQCWSNBEG-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367238842 895591799 /nfs/dbraw/zinc/59/17/99/895591799.db2.gz COCSMBUWESHVDG-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001367270542 895601115 /nfs/dbraw/zinc/60/11/15/895601115.db2.gz QIKBEYKBYZXHAL-ZYHUDNBSSA-N 1 3 272.393 -0.600 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367385671 895628607 /nfs/dbraw/zinc/62/86/07/895628607.db2.gz SKLTWKRCSVXKHF-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(N)=O ZINC001367456394 895638714 /nfs/dbraw/zinc/63/87/14/895638714.db2.gz YSYXTSSXHOQANO-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(N)=O)C(C)C)CC[N@@H+]1C ZINC001367464959 895639832 /nfs/dbraw/zinc/63/98/32/895639832.db2.gz MBYFZGZKFVGPNW-YNEHKIRRSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(N)=O)C(C)C)CC[N@H+]1C ZINC001367464959 895639836 /nfs/dbraw/zinc/63/98/36/895639836.db2.gz MBYFZGZKFVGPNW-YNEHKIRRSA-N 1 3 298.431 -0.068 20 0 CBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)CCC1 ZINC001367592000 895687548 /nfs/dbraw/zinc/68/75/48/895687548.db2.gz GDGZHZPCQLEKPV-CHWSQXEVSA-N 1 3 299.415 -0.426 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367625270 895712987 /nfs/dbraw/zinc/71/29/87/895712987.db2.gz DPVCBYMYXYZGQC-QWHCGFSZSA-N 1 3 287.404 -0.570 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367625262 895713407 /nfs/dbraw/zinc/71/34/07/895713407.db2.gz DPVCBYMYXYZGQC-CHWSQXEVSA-N 1 3 287.404 -0.570 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001367646020 895719619 /nfs/dbraw/zinc/71/96/19/895719619.db2.gz YNZCHCMMIIQPSO-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001367646015 895720315 /nfs/dbraw/zinc/72/03/15/895720315.db2.gz YNZCHCMMIIQPSO-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001367686528 895743793 /nfs/dbraw/zinc/74/37/93/895743793.db2.gz GVGXSLHIONZPHK-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001367700259 895756063 /nfs/dbraw/zinc/75/60/63/895756063.db2.gz UXEJTPPDGXPVLF-WOPDTQHZSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367772954 895801897 /nfs/dbraw/zinc/80/18/97/895801897.db2.gz UXWKWIXAJOVKPR-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367772954 895801902 /nfs/dbraw/zinc/80/19/02/895801902.db2.gz UXWKWIXAJOVKPR-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001368108171 895915369 /nfs/dbraw/zinc/91/53/69/895915369.db2.gz ZOOKFUYWKDVIIG-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001368126121 895919509 /nfs/dbraw/zinc/91/95/09/895919509.db2.gz UAHWCGNFPIESLT-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001368457983 896015122 /nfs/dbraw/zinc/01/51/22/896015122.db2.gz IYDPKYFWAREZCR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001368606138 896043739 /nfs/dbraw/zinc/04/37/39/896043739.db2.gz FRUKKKRCINVGMT-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001368641398 896051762 /nfs/dbraw/zinc/05/17/62/896051762.db2.gz PRYOQBTZFOTWLV-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001368662022 896054236 /nfs/dbraw/zinc/05/42/36/896054236.db2.gz VUQWRPWEZQVXET-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C ZINC001368662025 896056120 /nfs/dbraw/zinc/05/61/20/896056120.db2.gz VUQWRPWEZQVXET-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001368656348 896056163 /nfs/dbraw/zinc/05/61/63/896056163.db2.gz OMJOFFDRFPCASV-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368679926 896060602 /nfs/dbraw/zinc/06/06/02/896060602.db2.gz ZFAMLLHMSNTQOE-OLZOCXBDSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001368817902 896088095 /nfs/dbraw/zinc/08/80/95/896088095.db2.gz HEMJKXZXLXIWNV-UNXYVOJBSA-N 1 3 282.388 -0.702 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001368823983 896092920 /nfs/dbraw/zinc/09/29/20/896092920.db2.gz RTTCFCCQSMSESF-VOMCLLRMSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001369185857 896167807 /nfs/dbraw/zinc/16/78/07/896167807.db2.gz MVLGMNGCFLEWBH-JHJVBQTASA-N 1 3 296.415 -0.301 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001452819626 914041594 /nfs/dbraw/zinc/04/15/94/914041594.db2.gz ZXYLXGPDIZJFSL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452819626 914041609 /nfs/dbraw/zinc/04/16/09/914041609.db2.gz ZXYLXGPDIZJFSL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001369405367 896260295 /nfs/dbraw/zinc/26/02/95/896260295.db2.gz OLFLXGXWTRWLFQ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369469645 896286245 /nfs/dbraw/zinc/28/62/45/896286245.db2.gz GRSAPKXLUMEFNC-YPMHNXCESA-N 1 3 296.371 -0.602 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001369488946 896290402 /nfs/dbraw/zinc/29/04/02/896290402.db2.gz LIHUEOFNTWJSHU-NWDGAFQWSA-N 1 3 275.393 -0.884 20 0 CBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369843936 896352551 /nfs/dbraw/zinc/35/25/51/896352551.db2.gz NIDGTAOFNNIFRV-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371214942 896576661 /nfs/dbraw/zinc/57/66/61/896576661.db2.gz WLIPLDFKDBIKGY-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCn1cncn1 ZINC001371213333 896577660 /nfs/dbraw/zinc/57/76/60/896577660.db2.gz QKJDPVAORHTJKA-LBPRGKRZSA-N 1 3 294.403 -0.143 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361725 896598425 /nfs/dbraw/zinc/59/84/25/896598425.db2.gz GORGCPCHIYQSLF-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001371510214 896625957 /nfs/dbraw/zinc/62/59/57/896625957.db2.gz KNNDLJKFUBMXCX-JSGCOSHPSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371545067 896632658 /nfs/dbraw/zinc/63/26/58/896632658.db2.gz WEPLZTOENCNICQ-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001371608822 896641776 /nfs/dbraw/zinc/64/17/76/896641776.db2.gz ADMLTCBSMKQMHE-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001371765917 896661082 /nfs/dbraw/zinc/66/10/82/896661082.db2.gz AIXYMALRRQDARU-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001372301144 896768790 /nfs/dbraw/zinc/76/87/90/896768790.db2.gz IEROHRZJSLPRJF-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001372919072 896903222 /nfs/dbraw/zinc/90/32/22/896903222.db2.gz DNINQBPWUQSBRS-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001372945010 896906491 /nfs/dbraw/zinc/90/64/91/896906491.db2.gz JNRCJRRGRMREKP-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001372945010 896906500 /nfs/dbraw/zinc/90/65/00/896906500.db2.gz JNRCJRRGRMREKP-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001372951431 896911201 /nfs/dbraw/zinc/91/12/01/896911201.db2.gz VKNQHNFWTJFWJV-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372953838 896911789 /nfs/dbraw/zinc/91/17/89/896911789.db2.gz ZPMOVPBNQRPVLN-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372953838 896911793 /nfs/dbraw/zinc/91/17/93/896911793.db2.gz ZPMOVPBNQRPVLN-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001372953641 896913210 /nfs/dbraw/zinc/91/32/10/896913210.db2.gz ZAZJCHGZCQGMSI-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001372985414 896921370 /nfs/dbraw/zinc/92/13/70/896921370.db2.gz BCFBNINJOQYSGO-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373612798 897069345 /nfs/dbraw/zinc/06/93/45/897069345.db2.gz AAJHKJZVKCYBKU-AGIUHOORSA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373612798 897069361 /nfs/dbraw/zinc/06/93/61/897069361.db2.gz AAJHKJZVKCYBKU-AGIUHOORSA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373608265 897070011 /nfs/dbraw/zinc/07/00/11/897070011.db2.gz HFRHDPQTKWMJLZ-STQMWFEESA-N 1 3 297.399 -0.720 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(N)=O ZINC001373821251 897131506 /nfs/dbraw/zinc/13/15/06/897131506.db2.gz MSBXOLOENRRBPS-QWRGUYRKSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275818 897202557 /nfs/dbraw/zinc/20/25/57/897202557.db2.gz KHAREXJDXMAQGX-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275826 897203098 /nfs/dbraw/zinc/20/30/98/897203098.db2.gz KHAREXJDXMAQGX-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374282447 897208645 /nfs/dbraw/zinc/20/86/45/897208645.db2.gz PTTYIRZMQZDGEQ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374282447 897208660 /nfs/dbraw/zinc/20/86/60/897208660.db2.gz PTTYIRZMQZDGEQ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374314055 897211376 /nfs/dbraw/zinc/21/13/76/897211376.db2.gz QMQMGFBOBZYFLZ-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001374319686 897211484 /nfs/dbraw/zinc/21/14/84/897211484.db2.gz IHEZNBWCSKQZEH-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C(C)C)N(C)C ZINC001374446213 897228708 /nfs/dbraw/zinc/22/87/08/897228708.db2.gz ZUFCDNLBXWUQAK-NWDGAFQWSA-N 1 3 286.420 -0.197 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C(C)C)N(C)C ZINC001374446211 897231195 /nfs/dbraw/zinc/23/11/95/897231195.db2.gz ZUFCDNLBXWUQAK-NEPJUHHUSA-N 1 3 286.420 -0.197 20 0 CBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001374560717 897259766 /nfs/dbraw/zinc/25/97/66/897259766.db2.gz DYVNUJPAOSHUTL-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001374675247 897338127 /nfs/dbraw/zinc/33/81/27/897338127.db2.gz LEELZJXSQZJJKD-GHMZBOCLSA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001374675247 897338137 /nfs/dbraw/zinc/33/81/37/897338137.db2.gz LEELZJXSQZJJKD-GHMZBOCLSA-N 1 3 298.412 -0.339 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001374760170 897379754 /nfs/dbraw/zinc/37/97/54/897379754.db2.gz LZLIUQINGKSGNN-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001374777870 897384751 /nfs/dbraw/zinc/38/47/51/897384751.db2.gz XWAAEVPJCAMZKB-GMTAPVOTSA-N 1 3 272.393 -0.315 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001374814905 897400943 /nfs/dbraw/zinc/40/09/43/897400943.db2.gz USWTYBIEFAGHOY-SNVBAGLBSA-N 1 3 272.393 -0.456 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374808130 897400248 /nfs/dbraw/zinc/40/02/48/897400248.db2.gz UNZVBEPGBQCQRM-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001374926314 897435030 /nfs/dbraw/zinc/43/50/30/897435030.db2.gz MYNQRQFUTXEBAQ-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001375277130 897505928 /nfs/dbraw/zinc/50/59/28/897505928.db2.gz JYKAUEJATMZFJS-ZYHUDNBSSA-N 1 3 284.404 -0.315 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001375747543 897602950 /nfs/dbraw/zinc/60/29/50/897602950.db2.gz RTXJYYWTPNZLFK-GHMZBOCLSA-N 1 3 293.371 -0.333 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001375747554 897604376 /nfs/dbraw/zinc/60/43/76/897604376.db2.gz RTXJYYWTPNZLFK-WDEREUQCSA-N 1 3 293.371 -0.333 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001375759109 897604415 /nfs/dbraw/zinc/60/44/15/897604415.db2.gz ZEHTVWFYQJPGHF-DGCLKSJQSA-N 1 3 296.415 -0.075 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001375764651 897604431 /nfs/dbraw/zinc/60/44/31/897604431.db2.gz ZRVHNMLRRQCPOF-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328752 897713944 /nfs/dbraw/zinc/71/39/44/897713944.db2.gz HWEDMDWHYAZSQK-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001376391290 897723525 /nfs/dbraw/zinc/72/35/25/897723525.db2.gz HHWUZUBENFDDDL-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001376393138 897724465 /nfs/dbraw/zinc/72/44/65/897724465.db2.gz DSOKNHAILLANRG-KKOKHZNYSA-N 1 3 284.404 -0.302 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001376405428 897727188 /nfs/dbraw/zinc/72/71/88/897727188.db2.gz VHKONOXYTRHDTH-LBPRGKRZSA-N 1 3 282.388 -0.639 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001376579484 897780182 /nfs/dbraw/zinc/78/01/82/897780182.db2.gz XWAZBLCBUHCKPI-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001376741787 897831124 /nfs/dbraw/zinc/83/11/24/897831124.db2.gz ABTNVFITHFVDPN-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001376741787 897831136 /nfs/dbraw/zinc/83/11/36/897831136.db2.gz ABTNVFITHFVDPN-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802129 897849487 /nfs/dbraw/zinc/84/94/87/897849487.db2.gz OXLCVKIHWBCWDD-QWHCGFSZSA-N 1 3 294.403 -0.286 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802126 897850300 /nfs/dbraw/zinc/85/03/00/897850300.db2.gz OXLCVKIHWBCWDD-OLZOCXBDSA-N 1 3 294.403 -0.286 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001376809560 897852531 /nfs/dbraw/zinc/85/25/31/897852531.db2.gz WBWNCPVBADWJCQ-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001376804527 897853824 /nfs/dbraw/zinc/85/38/24/897853824.db2.gz CPILZGJOQNKPRZ-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001376871925 897875974 /nfs/dbraw/zinc/87/59/74/897875974.db2.gz ZSKCHWYSKRQDLN-STQMWFEESA-N 1 3 287.404 -0.476 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376933618 897894665 /nfs/dbraw/zinc/89/46/65/897894665.db2.gz WBPRMHRCQIOZKO-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001376952447 897900127 /nfs/dbraw/zinc/90/01/27/897900127.db2.gz FYOCUUQEIQTQKQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001376952431 897901583 /nfs/dbraw/zinc/90/15/83/897901583.db2.gz FYOCUUQEIQTQKQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001377266628 897993028 /nfs/dbraw/zinc/99/30/28/897993028.db2.gz OFKINYBFBZGSMC-QWHCGFSZSA-N 1 3 298.431 -0.149 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001377599720 898103465 /nfs/dbraw/zinc/10/34/65/898103465.db2.gz HLJOTAJITBKPEF-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597083 898103610 /nfs/dbraw/zinc/10/36/10/898103610.db2.gz JGBYHVFAXOYJSW-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597083 898103613 /nfs/dbraw/zinc/10/36/13/898103613.db2.gz JGBYHVFAXOYJSW-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377595424 898103780 /nfs/dbraw/zinc/10/37/80/898103780.db2.gz QZXXWGSQVCJJIQ-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001377713442 898120305 /nfs/dbraw/zinc/12/03/05/898120305.db2.gz XTSYKAMZOMGCLL-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377866475 898153031 /nfs/dbraw/zinc/15/30/31/898153031.db2.gz JCSONIABPDSKBZ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377866475 898153036 /nfs/dbraw/zinc/15/30/36/898153036.db2.gz JCSONIABPDSKBZ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378081407 898225733 /nfs/dbraw/zinc/22/57/33/898225733.db2.gz RNKYWSPMZMLAPU-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378081407 898225750 /nfs/dbraw/zinc/22/57/50/898225750.db2.gz RNKYWSPMZMLAPU-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N(C)C ZINC001378298161 898309059 /nfs/dbraw/zinc/30/90/59/898309059.db2.gz HHAOTFPLCSQSAL-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC ZINC001378305659 898309365 /nfs/dbraw/zinc/30/93/65/898309365.db2.gz VBMXHNRRJPWAMO-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001378333594 898316084 /nfs/dbraw/zinc/31/60/84/898316084.db2.gz DLEQXUWLBMDQON-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001378501450 898337787 /nfs/dbraw/zinc/33/77/87/898337787.db2.gz PSRKAZKVWJADNQ-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001378511985 898340885 /nfs/dbraw/zinc/34/08/85/898340885.db2.gz LAYJCIHYXWJXKX-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001378506900 898341779 /nfs/dbraw/zinc/34/17/79/898341779.db2.gz XUZKBTGXRJDEIA-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCCC1)N(C)C ZINC001378690898 898392135 /nfs/dbraw/zinc/39/21/35/898392135.db2.gz PPMGXBZFSQJVSE-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001378725461 898394380 /nfs/dbraw/zinc/39/43/80/898394380.db2.gz OJANEPBIBFSLKP-XDQVBPFNSA-N 1 3 281.400 -0.386 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001378725461 898394396 /nfs/dbraw/zinc/39/43/96/898394396.db2.gz OJANEPBIBFSLKP-XDQVBPFNSA-N 1 3 281.400 -0.386 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378765120 898406369 /nfs/dbraw/zinc/40/63/69/898406369.db2.gz QDMOXYKUKIOWQK-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001378840896 898422637 /nfs/dbraw/zinc/42/26/37/898422637.db2.gz BHFGYYTWENXFDU-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378858053 898423630 /nfs/dbraw/zinc/42/36/30/898423630.db2.gz ZVAYMDAZUJSNQZ-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378858053 898423641 /nfs/dbraw/zinc/42/36/41/898423641.db2.gz ZVAYMDAZUJSNQZ-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001379059225 898454913 /nfs/dbraw/zinc/45/49/13/898454913.db2.gz QGNJRIVYRWRUKL-CYBMUJFWSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001379100308 898465703 /nfs/dbraw/zinc/46/57/03/898465703.db2.gz GGVFKSNGAVOXRQ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CN(C)C(C)C ZINC001379327814 898550384 /nfs/dbraw/zinc/55/03/84/898550384.db2.gz LRZHMAWDFBTZLN-NSHDSACASA-N 1 3 272.393 -0.362 20 0 CBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001379237610 898515426 /nfs/dbraw/zinc/51/54/26/898515426.db2.gz IICDQUFGWYHVMI-ZDUSSCGKSA-N 1 3 297.403 -0.753 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001379290167 898540202 /nfs/dbraw/zinc/54/02/02/898540202.db2.gz QYPWVNGQZPBEIM-OCCSQVGLSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001379290167 898540217 /nfs/dbraw/zinc/54/02/17/898540217.db2.gz QYPWVNGQZPBEIM-OCCSQVGLSA-N 1 3 292.383 -0.400 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001379449048 898616891 /nfs/dbraw/zinc/61/68/91/898616891.db2.gz LNUJBZYBABTOCR-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001379449048 898616904 /nfs/dbraw/zinc/61/69/04/898616904.db2.gz LNUJBZYBABTOCR-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001379446490 898617741 /nfs/dbraw/zinc/61/77/41/898617741.db2.gz CDZYKDAYZOGIGR-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379515196 898650071 /nfs/dbraw/zinc/65/00/71/898650071.db2.gz LXGNYAJBTFYGCN-HBNTYKKESA-N 1 3 270.377 -0.833 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379515196 898650072 /nfs/dbraw/zinc/65/00/72/898650072.db2.gz LXGNYAJBTFYGCN-HBNTYKKESA-N 1 3 270.377 -0.833 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001379578672 898675068 /nfs/dbraw/zinc/67/50/68/898675068.db2.gz FHFWSVWORQFCTJ-SMDDNHRTSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@H](CN(C)CCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001379770287 898723738 /nfs/dbraw/zinc/72/37/38/898723738.db2.gz UJZBZAAOSNBLHN-GFCCVEGCSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893191 898753158 /nfs/dbraw/zinc/75/31/58/898753158.db2.gz LEYJCUZTUKQVFC-JQWIXIFHSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893190 898754698 /nfs/dbraw/zinc/75/46/98/898754698.db2.gz LEYJCUZTUKQVFC-CMPLNLGQSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001381194350 899009127 /nfs/dbraw/zinc/00/91/27/899009127.db2.gz XTGGAOCZBPZSRT-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001381916365 899131339 /nfs/dbraw/zinc/13/13/39/899131339.db2.gz GNJUSAMBMHWRBA-OCCSQVGLSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(N)=O ZINC001382121629 899159459 /nfs/dbraw/zinc/15/94/59/899159459.db2.gz LYIYHNNNHYHYTE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(N)=O ZINC001382121629 899159466 /nfs/dbraw/zinc/15/94/66/899159466.db2.gz LYIYHNNNHYHYTE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382152768 899166491 /nfs/dbraw/zinc/16/64/91/899166491.db2.gz MJGOXMSHSJWTQN-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382152768 899166496 /nfs/dbraw/zinc/16/64/96/899166496.db2.gz MJGOXMSHSJWTQN-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001382284133 899232102 /nfs/dbraw/zinc/23/21/02/899232102.db2.gz ITNRLKKMJSFJBG-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320373 899246873 /nfs/dbraw/zinc/24/68/73/899246873.db2.gz UUVJUXFTNLKZAO-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)N(C)C ZINC001382537475 899320915 /nfs/dbraw/zinc/32/09/15/899320915.db2.gz YGHZBYRLJCMNQQ-QWRGUYRKSA-N 1 3 286.420 -0.068 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001386791473 899708340 /nfs/dbraw/zinc/70/83/40/899708340.db2.gz JCSONIABPDSKBZ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386791473 899708347 /nfs/dbraw/zinc/70/83/47/899708347.db2.gz JCSONIABPDSKBZ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001386892630 899727410 /nfs/dbraw/zinc/72/74/10/899727410.db2.gz ZXRULFMEBDNSRC-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386892630 899727420 /nfs/dbraw/zinc/72/74/20/899727420.db2.gz ZXRULFMEBDNSRC-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CCNC(=O)CCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001387079661 899756960 /nfs/dbraw/zinc/75/69/60/899756960.db2.gz VUBCGVRKUVRXRQ-UHFFFAOYSA-N 1 3 295.387 -0.131 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001387099817 899761270 /nfs/dbraw/zinc/76/12/70/899761270.db2.gz BBLQBLWHAZZJEG-SNVBAGLBSA-N 1 3 295.387 -0.167 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001387819991 899834006 /nfs/dbraw/zinc/83/40/06/899834006.db2.gz NQSVAYOHNGBADH-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001388115726 899869560 /nfs/dbraw/zinc/86/95/60/899869560.db2.gz GHMZWRRSHDORQN-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001388115726 899869563 /nfs/dbraw/zinc/86/95/63/899869563.db2.gz GHMZWRRSHDORQN-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001389821444 900076345 /nfs/dbraw/zinc/07/63/45/900076345.db2.gz SPXGDFAPJSFXHS-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001389932857 900095953 /nfs/dbraw/zinc/09/59/53/900095953.db2.gz HHVIBXPMYKUHNT-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001390039577 900109659 /nfs/dbraw/zinc/10/96/59/900109659.db2.gz SKWLSDSOYHGBES-XQQFMLRXSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N(C)C1CC1 ZINC001390463471 900166166 /nfs/dbraw/zinc/16/61/66/900166166.db2.gz BIOUTHHKPPQYNR-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001390512244 900180817 /nfs/dbraw/zinc/18/08/17/900180817.db2.gz RRNMRSSFAFXJBI-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001390564457 900190036 /nfs/dbraw/zinc/19/00/36/900190036.db2.gz CYICXGWKEBYQEQ-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001390564457 900190039 /nfs/dbraw/zinc/19/00/39/900190039.db2.gz CYICXGWKEBYQEQ-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO Cc1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001390555821 900190086 /nfs/dbraw/zinc/19/00/86/900190086.db2.gz GVWGDEUQXKFOSD-NSHDSACASA-N 1 3 280.376 -0.245 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595084 900193524 /nfs/dbraw/zinc/19/35/24/900193524.db2.gz QYHCEZSMJZYONW-RYUDHWBXSA-N 1 3 282.388 -0.748 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390592134 900193941 /nfs/dbraw/zinc/19/39/41/900193941.db2.gz AXVLUXQSWDEZCL-NSHDSACASA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390848115 900264867 /nfs/dbraw/zinc/26/48/67/900264867.db2.gz YSOZJDOGNKOBBF-GFCCVEGCSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+](C)C ZINC001391230222 900348055 /nfs/dbraw/zinc/34/80/55/900348055.db2.gz UDPGGKPSBYFIRI-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001391560841 900411117 /nfs/dbraw/zinc/41/11/17/900411117.db2.gz KOUJDUOEHKVSMZ-UONOGXRCSA-N 1 3 299.415 -0.474 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001391927033 900463163 /nfs/dbraw/zinc/46/31/63/900463163.db2.gz OOBOGFRENFUNTA-DGCLKSJQSA-N 1 3 286.420 -0.340 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001392047015 900499326 /nfs/dbraw/zinc/49/93/26/900499326.db2.gz CQGLFAQZJJMYEU-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001392183610 900528616 /nfs/dbraw/zinc/52/86/16/900528616.db2.gz RGESINHTOSPUCC-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001392513908 900644080 /nfs/dbraw/zinc/64/40/80/900644080.db2.gz ZTGNQERHLHOSPP-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392512711 900644735 /nfs/dbraw/zinc/64/47/35/900644735.db2.gz OYKDLALXWKSBBV-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001392523241 900648671 /nfs/dbraw/zinc/64/86/71/900648671.db2.gz BNXUXUYUKONTBE-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001392536944 900650709 /nfs/dbraw/zinc/65/07/09/900650709.db2.gz NUQGRMVJVKTHFN-GHMZBOCLSA-N 1 3 270.377 -0.691 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001392536945 900652075 /nfs/dbraw/zinc/65/20/75/900652075.db2.gz NUQGRMVJVKTHFN-MNOVXSKESA-N 1 3 270.377 -0.691 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001392592194 900671363 /nfs/dbraw/zinc/67/13/63/900671363.db2.gz JIUUEXBCNREVTM-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001392602782 900673997 /nfs/dbraw/zinc/67/39/97/900673997.db2.gz SMQBKZUTKNATMI-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001392602782 900674005 /nfs/dbraw/zinc/67/40/05/900674005.db2.gz SMQBKZUTKNATMI-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392607440 900677748 /nfs/dbraw/zinc/67/77/48/900677748.db2.gz DVGKYWBRJBWPME-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001392791215 900726358 /nfs/dbraw/zinc/72/63/58/900726358.db2.gz ZSINRFMCOXGRPK-NWDGAFQWSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791139 900727049 /nfs/dbraw/zinc/72/70/49/900727049.db2.gz DKSZUQXWGUGNDH-CMPLNLGQSA-N 1 3 282.388 -0.702 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001392791124 900728445 /nfs/dbraw/zinc/72/84/45/900728445.db2.gz DKNBVYBPNCMZID-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393058409 900787877 /nfs/dbraw/zinc/78/78/77/900787877.db2.gz YMGWTAOSUHNYBL-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393058409 900787889 /nfs/dbraw/zinc/78/78/89/900787889.db2.gz YMGWTAOSUHNYBL-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083300 900789327 /nfs/dbraw/zinc/78/93/27/900789327.db2.gz JGQNUIVOUUPVCD-QWHCGFSZSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083300 900789333 /nfs/dbraw/zinc/78/93/33/900789333.db2.gz JGQNUIVOUUPVCD-QWHCGFSZSA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001393143624 900799941 /nfs/dbraw/zinc/79/99/41/900799941.db2.gz LSPFMTYWGRCZHM-SWLSCSKDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001393143630 900800693 /nfs/dbraw/zinc/80/06/93/900800693.db2.gz LSPFMTYWGRCZHM-WFASDCNBSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(N)=O ZINC001393396672 900851302 /nfs/dbraw/zinc/85/13/02/900851302.db2.gz NVBFFJZWCOIJGT-VHSXEESVSA-N 1 3 279.344 -0.878 20 0 CBADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(N)=O ZINC001393746415 900903535 /nfs/dbraw/zinc/90/35/35/900903535.db2.gz JAVYYHOHKKAMKN-WDEREUQCSA-N 1 3 282.388 -0.750 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNCC(N)=O)CC1 ZINC001393860259 900915327 /nfs/dbraw/zinc/91/53/27/900915327.db2.gz RIVSDDKNCKYJEB-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001393981929 900947798 /nfs/dbraw/zinc/94/77/98/900947798.db2.gz YFZOGRZIYCJTAK-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001394050686 900958595 /nfs/dbraw/zinc/95/85/95/900958595.db2.gz FXUJMDPOIPDZPX-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](CNCC(N)=O)C1CC1 ZINC001394441083 901027066 /nfs/dbraw/zinc/02/70/66/901027066.db2.gz VMLXLHVZBCUXLN-GFCCVEGCSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001394563807 901055284 /nfs/dbraw/zinc/05/52/84/901055284.db2.gz CAVLPHHBBOBHOY-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001394679312 901115872 /nfs/dbraw/zinc/11/58/72/901115872.db2.gz PQCRLSIOCYLVCY-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670531 901117376 /nfs/dbraw/zinc/11/73/76/901117376.db2.gz OBRQOQWTFFXYJA-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001395172256 901184918 /nfs/dbraw/zinc/18/49/18/901184918.db2.gz QILPWFIVFHLZBE-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396938333 901349058 /nfs/dbraw/zinc/34/90/58/901349058.db2.gz KKBXOLNWHMFWPW-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H]1CCN1CCO ZINC001397024237 901355756 /nfs/dbraw/zinc/35/57/56/901355756.db2.gz BWGZQGOJQBSCID-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001397024237 901355770 /nfs/dbraw/zinc/35/57/70/901355770.db2.gz BWGZQGOJQBSCID-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001397024237 901355787 /nfs/dbraw/zinc/35/57/87/901355787.db2.gz BWGZQGOJQBSCID-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001397134405 901367381 /nfs/dbraw/zinc/36/73/81/901367381.db2.gz KTVQUFVPKNRBDV-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001397127669 901368487 /nfs/dbraw/zinc/36/84/87/901368487.db2.gz GHFKSNUDDSDKPH-HAQNSBGRSA-N 1 3 294.403 -0.249 20 0 CBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001397591749 901437153 /nfs/dbraw/zinc/43/71/53/901437153.db2.gz HCEPDVSDOBZNAZ-PHIMTYICSA-N 1 3 282.388 -0.560 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001397763762 901451536 /nfs/dbraw/zinc/45/15/36/901451536.db2.gz CTAJZCIZNSNFNP-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001397930457 901478733 /nfs/dbraw/zinc/47/87/33/901478733.db2.gz WHTNRVJYXMVGDZ-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001397930457 901478740 /nfs/dbraw/zinc/47/87/40/901478740.db2.gz WHTNRVJYXMVGDZ-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436108 901537515 /nfs/dbraw/zinc/53/75/15/901537515.db2.gz MBUXLAODFCXDQX-CMPLNLGQSA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398613997 901575514 /nfs/dbraw/zinc/57/55/14/901575514.db2.gz AUEIXGUJUVAXQU-UTUOFQBUSA-N 1 3 296.415 -0.158 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001398667114 901587650 /nfs/dbraw/zinc/58/76/50/901587650.db2.gz CQUWPGVKDIZOHG-UTUOFQBUSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001398734812 901596061 /nfs/dbraw/zinc/59/60/61/901596061.db2.gz XWAZBLCBUHCKPI-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001398754582 901598895 /nfs/dbraw/zinc/59/88/95/901598895.db2.gz ANDCEYRLMUJOKS-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763489 901602427 /nfs/dbraw/zinc/60/24/27/901602427.db2.gz OVFPDHMHNBJNJB-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCNC1=O ZINC001399022561 901652786 /nfs/dbraw/zinc/65/27/86/901652786.db2.gz FRJBCWDRJMXPBW-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399098370 901666184 /nfs/dbraw/zinc/66/61/84/901666184.db2.gz LMAVJRRSWUPUNN-AAEUAGOBSA-N 1 3 286.420 -0.197 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001399163820 901678255 /nfs/dbraw/zinc/67/82/55/901678255.db2.gz OFGVHSQLAPRDSZ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399177159 901680369 /nfs/dbraw/zinc/68/03/69/901680369.db2.gz VSJCTMDQYOYPMV-WDEREUQCSA-N 1 3 270.377 -0.691 20 0 CBADHO Cn1cc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001399230387 901685964 /nfs/dbraw/zinc/68/59/64/901685964.db2.gz BUZNMOPPROQEDQ-LBPRGKRZSA-N 1 3 294.403 -0.295 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001399258758 901688680 /nfs/dbraw/zinc/68/86/80/901688680.db2.gz XCHJWLDUMNXOEQ-NWDGAFQWSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001400046262 901864574 /nfs/dbraw/zinc/86/45/74/901864574.db2.gz FQDNSXXVFQPWGF-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001400064413 901869597 /nfs/dbraw/zinc/86/95/97/901869597.db2.gz BXOYWAHXEJGMDE-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001400245275 901905227 /nfs/dbraw/zinc/90/52/27/901905227.db2.gz GZHPIFIVZPEBQA-CYBMUJFWSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001400245275 901905240 /nfs/dbraw/zinc/90/52/40/901905240.db2.gz GZHPIFIVZPEBQA-CYBMUJFWSA-N 1 3 296.415 -0.406 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCNC1=O ZINC001400841153 902024707 /nfs/dbraw/zinc/02/47/07/902024707.db2.gz BKEKMVSBUURXMD-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001401106540 902054827 /nfs/dbraw/zinc/05/48/27/902054827.db2.gz JFVRBZPIZSQXBS-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401113368 902058446 /nfs/dbraw/zinc/05/84/46/902058446.db2.gz HFHKFQQMZMYWOI-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001401221002 902087307 /nfs/dbraw/zinc/08/73/07/902087307.db2.gz OVXPNKKHUFRPLM-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401610045 902189754 /nfs/dbraw/zinc/18/97/54/902189754.db2.gz MNEFEAQBKRWARV-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401610045 902189759 /nfs/dbraw/zinc/18/97/59/902189759.db2.gz MNEFEAQBKRWARV-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401670835 902219436 /nfs/dbraw/zinc/21/94/36/902219436.db2.gz RNYFKLYSMWVLNB-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401670835 902219453 /nfs/dbraw/zinc/21/94/53/902219453.db2.gz RNYFKLYSMWVLNB-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401686141 902230182 /nfs/dbraw/zinc/23/01/82/902230182.db2.gz NQLRQBZYCHPIPV-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401700979 902233805 /nfs/dbraw/zinc/23/38/05/902233805.db2.gz VJRQEMFKOZXLAL-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401702428 902241633 /nfs/dbraw/zinc/24/16/33/902241633.db2.gz PMQDVYSNXIZQLG-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401718896 902244157 /nfs/dbraw/zinc/24/41/57/902244157.db2.gz CDWRNIAYBKHYQL-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401718896 902244144 /nfs/dbraw/zinc/24/41/44/902244144.db2.gz CDWRNIAYBKHYQL-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401869076 902293111 /nfs/dbraw/zinc/29/31/11/902293111.db2.gz LFRQJPCHCMIGAI-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402059718 902345678 /nfs/dbraw/zinc/34/56/78/902345678.db2.gz MRNMCWIMMOYMOG-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001402066219 902352863 /nfs/dbraw/zinc/35/28/63/902352863.db2.gz FEKRMSCYEMOHLH-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001402299839 902415246 /nfs/dbraw/zinc/41/52/46/902415246.db2.gz AEJZXFIOEMFIGF-HNNXBMFYSA-N 1 3 299.415 -0.592 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001402413483 902446664 /nfs/dbraw/zinc/44/66/64/902446664.db2.gz FSKLVKUBACYRBR-MNOVXSKESA-N 1 3 293.371 -0.618 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001402550950 902474843 /nfs/dbraw/zinc/47/48/43/902474843.db2.gz WABQODXZPVKOPW-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001402537943 902476334 /nfs/dbraw/zinc/47/63/34/902476334.db2.gz RWUIBJNHMZDLQA-NAKRPEOUSA-N 1 3 270.377 -0.563 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402645102 902497666 /nfs/dbraw/zinc/49/76/66/902497666.db2.gz NHASUJAEDRYOHH-XQQFMLRXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC)C1 ZINC001402799539 902521094 /nfs/dbraw/zinc/52/10/94/902521094.db2.gz ZHTJYPNHFLSKFY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC)C1 ZINC001402799539 902521109 /nfs/dbraw/zinc/52/11/09/902521109.db2.gz ZHTJYPNHFLSKFY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001402794405 902521618 /nfs/dbraw/zinc/52/16/18/902521618.db2.gz PKJJPAOANKPJGE-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402794408 902522182 /nfs/dbraw/zinc/52/21/82/902522182.db2.gz PKJJPAOANKPJGE-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001402841688 902535463 /nfs/dbraw/zinc/53/54/63/902535463.db2.gz RMFDJBLWAQXRDQ-SRVKXCTJSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1)N(C)C ZINC001402913463 902560689 /nfs/dbraw/zinc/56/06/89/902560689.db2.gz HZMYELSQMAULSU-ZYHUDNBSSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001402995364 902588142 /nfs/dbraw/zinc/58/81/42/902588142.db2.gz GWIDKGJNOOXFHU-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC1 ZINC001403037772 902597121 /nfs/dbraw/zinc/59/71/21/902597121.db2.gz FGMBIWQCCRCAFX-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403098655 902616967 /nfs/dbraw/zinc/61/69/67/902616967.db2.gz IZPZDGHWCQUDPJ-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001403583273 902737980 /nfs/dbraw/zinc/73/79/80/902737980.db2.gz JTJJKLQFALYHHN-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001403581939 902738167 /nfs/dbraw/zinc/73/81/67/902738167.db2.gz HGIDIFSYSVZPAY-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001403619446 902752912 /nfs/dbraw/zinc/75/29/12/902752912.db2.gz YRBZJZYSIZDNIB-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)CCC1 ZINC001403898504 902896385 /nfs/dbraw/zinc/89/63/85/902896385.db2.gz OUZKNERELGLVHB-GFCCVEGCSA-N 1 3 287.404 -0.786 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CCC1 ZINC001403898504 902896401 /nfs/dbraw/zinc/89/64/01/902896401.db2.gz OUZKNERELGLVHB-GFCCVEGCSA-N 1 3 287.404 -0.786 20 0 CBADHO CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001403953256 902910353 /nfs/dbraw/zinc/91/03/53/902910353.db2.gz CJCONSQPJOYSKK-LLVKDONJSA-N 1 3 296.415 -0.312 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001458769798 914678674 /nfs/dbraw/zinc/67/86/74/914678674.db2.gz RJSWPNKVGWVDJB-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001404317527 902969229 /nfs/dbraw/zinc/96/92/29/902969229.db2.gz IGXYUMGIGKOCDX-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001404317527 902969237 /nfs/dbraw/zinc/96/92/37/902969237.db2.gz IGXYUMGIGKOCDX-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(N)=O ZINC001405248976 903129956 /nfs/dbraw/zinc/12/99/56/903129956.db2.gz IDLURTHCXVHEBE-GRYCIOLGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(N)=O ZINC001405248976 903129967 /nfs/dbraw/zinc/12/99/67/903129967.db2.gz IDLURTHCXVHEBE-GRYCIOLGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001405332294 903148795 /nfs/dbraw/zinc/14/87/95/903148795.db2.gz HPWHPHQZYSDVNT-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001405332294 903148805 /nfs/dbraw/zinc/14/88/05/903148805.db2.gz HPWHPHQZYSDVNT-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357034 903154721 /nfs/dbraw/zinc/15/47/21/903154721.db2.gz ZKBOQTYZLZFPDN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357034 903154731 /nfs/dbraw/zinc/15/47/31/903154731.db2.gz ZKBOQTYZLZFPDN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO NC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001405608893 903185299 /nfs/dbraw/zinc/18/52/99/903185299.db2.gz VLKUNKAIXSWQPO-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001405701358 903205030 /nfs/dbraw/zinc/20/50/30/903205030.db2.gz XDJYTYIDAYEYQI-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001405711147 903207994 /nfs/dbraw/zinc/20/79/94/903207994.db2.gz AFKAQXCEGZLVPZ-GHMZBOCLSA-N 1 3 272.393 -0.458 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001405853863 903239092 /nfs/dbraw/zinc/23/90/92/903239092.db2.gz WBLDEXKXHKLEQM-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001406060640 903258819 /nfs/dbraw/zinc/25/88/19/903258819.db2.gz CLGINTDEQUGSLV-QWRGUYRKSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001406060640 903258831 /nfs/dbraw/zinc/25/88/31/903258831.db2.gz CLGINTDEQUGSLV-QWRGUYRKSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001406310492 903351066 /nfs/dbraw/zinc/35/10/66/903351066.db2.gz UFHPJPHONLBNSS-ZDUSSCGKSA-N 1 3 297.403 -0.673 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406359001 903372523 /nfs/dbraw/zinc/37/25/23/903372523.db2.gz AMOBLWKLOZWIOQ-PWSUYJOCSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406394982 903392795 /nfs/dbraw/zinc/39/27/95/903392795.db2.gz WHLYIIONCYMPJG-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001406413929 903393428 /nfs/dbraw/zinc/39/34/28/903393428.db2.gz UEYCQKKRAFYHFJ-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001406412068 903396081 /nfs/dbraw/zinc/39/60/81/903396081.db2.gz RYRICKGOYRSYJX-GHMZBOCLSA-N 1 3 280.372 -0.935 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001406484741 903416248 /nfs/dbraw/zinc/41/62/48/903416248.db2.gz VAKQXZNUUIIYIN-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001406495950 903419543 /nfs/dbraw/zinc/41/95/43/903419543.db2.gz PWJXJSFYZWIRGU-NWDGAFQWSA-N 1 3 294.399 -0.402 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001406561428 903435929 /nfs/dbraw/zinc/43/59/29/903435929.db2.gz NUQGRMVJVKTHFN-QWRGUYRKSA-N 1 3 270.377 -0.691 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001406780424 903478576 /nfs/dbraw/zinc/47/85/76/903478576.db2.gz PYSVDRDVIYTTFI-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001406812746 903483471 /nfs/dbraw/zinc/48/34/71/903483471.db2.gz DAAAXWPPLKSEHB-WCQYABFASA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347230 903573875 /nfs/dbraw/zinc/57/38/75/903573875.db2.gz MJTSHZVWWCUTQU-DOMZBBRYSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347230 903573881 /nfs/dbraw/zinc/57/38/81/903573881.db2.gz MJTSHZVWWCUTQU-DOMZBBRYSA-N 1 3 299.415 -0.596 20 0 CBADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCC1 ZINC001407795411 903660094 /nfs/dbraw/zinc/66/00/94/903660094.db2.gz BMTNEJZSONJQGM-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001408113115 903711486 /nfs/dbraw/zinc/71/14/86/903711486.db2.gz YOCHCBCNTNDGQE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[NH+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001409104040 903851034 /nfs/dbraw/zinc/85/10/34/903851034.db2.gz YMFBUYNJQQZRDJ-UHFFFAOYSA-N 1 3 279.344 -0.769 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384759 903892639 /nfs/dbraw/zinc/89/26/39/903892639.db2.gz HBEHQBGWHXEQMZ-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384744 903895276 /nfs/dbraw/zinc/89/52/76/903895276.db2.gz HBEHQBGWHXEQMZ-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001410208234 904045640 /nfs/dbraw/zinc/04/56/40/904045640.db2.gz FHDWAVDDGNJTNH-OBJOEFQTSA-N 1 3 298.431 -0.197 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001410329260 904067302 /nfs/dbraw/zinc/06/73/02/904067302.db2.gz WKLPWEOWFYSWFR-YPMHNXCESA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001410329260 904067315 /nfs/dbraw/zinc/06/73/15/904067315.db2.gz WKLPWEOWFYSWFR-YPMHNXCESA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001410329254 904068561 /nfs/dbraw/zinc/06/85/61/904068561.db2.gz WKLPWEOWFYSWFR-WCQYABFASA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001410329254 904068572 /nfs/dbraw/zinc/06/85/72/904068572.db2.gz WKLPWEOWFYSWFR-WCQYABFASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC1CC1 ZINC001410424260 904092472 /nfs/dbraw/zinc/09/24/72/904092472.db2.gz LVOBEORUKSHDPZ-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410412334 904093523 /nfs/dbraw/zinc/09/35/23/904093523.db2.gz FWSHLVAEAJZIBE-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(N)=O ZINC001410412341 904095765 /nfs/dbraw/zinc/09/57/65/904095765.db2.gz FWSHLVAEAJZIBE-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001410460586 904102485 /nfs/dbraw/zinc/10/24/85/904102485.db2.gz JSVSJXCZCBWGTG-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865873 904200047 /nfs/dbraw/zinc/20/00/47/904200047.db2.gz OYTDSUFYBPJTOU-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001410914761 904203275 /nfs/dbraw/zinc/20/32/75/904203275.db2.gz LQLYGLJDCPYWEY-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001410999314 904221149 /nfs/dbraw/zinc/22/11/49/904221149.db2.gz WMISTDMNIMEVIV-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001411269121 904277744 /nfs/dbraw/zinc/27/77/44/904277744.db2.gz BJVRUUWNWLVFMQ-UNXYVOJBSA-N 1 3 284.404 -0.219 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001414539148 905443506 /nfs/dbraw/zinc/44/35/06/905443506.db2.gz HPJUILSOILAVMV-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)[C@H](C)C1 ZINC001414557375 905449633 /nfs/dbraw/zinc/44/96/33/905449633.db2.gz NXGJJLJMYLAQMQ-ZIAGYGMSSA-N 1 3 297.447 -0.032 20 0 CBADHO CC[N@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)[C@H](C)C1 ZINC001414557375 905449636 /nfs/dbraw/zinc/44/96/36/905449636.db2.gz NXGJJLJMYLAQMQ-ZIAGYGMSSA-N 1 3 297.447 -0.032 20 0 CBADHO CC[N@@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC001414557369 905451149 /nfs/dbraw/zinc/45/11/49/905451149.db2.gz NXGJJLJMYLAQMQ-UONOGXRCSA-N 1 3 297.447 -0.032 20 0 CBADHO CC[N@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC001414557369 905451161 /nfs/dbraw/zinc/45/11/61/905451161.db2.gz NXGJJLJMYLAQMQ-UONOGXRCSA-N 1 3 297.447 -0.032 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001414796626 905515951 /nfs/dbraw/zinc/51/59/51/905515951.db2.gz HPJUILSOILAVMV-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001416015677 905694233 /nfs/dbraw/zinc/69/42/33/905694233.db2.gz UCHGSQVVWXIESA-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001416859939 905818776 /nfs/dbraw/zinc/81/87/76/905818776.db2.gz DXOZYCVZVQMQGF-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001416859939 905818789 /nfs/dbraw/zinc/81/87/89/905818789.db2.gz DXOZYCVZVQMQGF-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001417776885 906045514 /nfs/dbraw/zinc/04/55/14/906045514.db2.gz BSLCFOAPIINQFP-BETUJISGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001418044173 906144677 /nfs/dbraw/zinc/14/46/77/906144677.db2.gz NZNYATGJFHNJNE-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418144386 906180905 /nfs/dbraw/zinc/18/09/05/906180905.db2.gz NZGVSHVXRIBGLB-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418227412 906229564 /nfs/dbraw/zinc/22/95/64/906229564.db2.gz OZWREWDRCHTUQG-GMTAPVOTSA-N 1 3 270.377 -0.833 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418227412 906229573 /nfs/dbraw/zinc/22/95/73/906229573.db2.gz OZWREWDRCHTUQG-GMTAPVOTSA-N 1 3 270.377 -0.833 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418227414 906229907 /nfs/dbraw/zinc/22/99/07/906229907.db2.gz OZWREWDRCHTUQG-HBNTYKKESA-N 1 3 270.377 -0.833 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418227414 906229922 /nfs/dbraw/zinc/22/99/22/906229922.db2.gz OZWREWDRCHTUQG-HBNTYKKESA-N 1 3 270.377 -0.833 20 0 CBADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001418272461 906254263 /nfs/dbraw/zinc/25/42/63/906254263.db2.gz CFSJXMZHMHVDPF-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001418272458 906255507 /nfs/dbraw/zinc/25/55/07/906255507.db2.gz CFSJXMZHMHVDPF-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001418314129 906279402 /nfs/dbraw/zinc/27/94/02/906279402.db2.gz RGYDKIOAFOJCOK-WDEREUQCSA-N 1 3 272.393 -0.445 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001418832139 906491421 /nfs/dbraw/zinc/49/14/21/906491421.db2.gz RCZJYOTZSNSEIT-RYUDHWBXSA-N 1 3 286.420 -0.149 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CN2CCCC2)C1=O ZINC001418834897 906494235 /nfs/dbraw/zinc/49/42/35/906494235.db2.gz UGXRLAFCWMVLJO-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905458 906509503 /nfs/dbraw/zinc/50/95/03/906509503.db2.gz SCWAUKVVZYRSRT-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001419213747 906637605 /nfs/dbraw/zinc/63/76/05/906637605.db2.gz JQXRVBLXJZTRIM-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001419213742 906638500 /nfs/dbraw/zinc/63/85/00/906638500.db2.gz JQXRVBLXJZTRIM-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCNC1=O ZINC001419218198 906641718 /nfs/dbraw/zinc/64/17/18/906641718.db2.gz GWCYWPQHPVODBR-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419287326 906657875 /nfs/dbraw/zinc/65/78/75/906657875.db2.gz NPLLLZOTMTUVPL-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001419421191 906682073 /nfs/dbraw/zinc/68/20/73/906682073.db2.gz GBRMOMHPMZVILQ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001419421191 906682083 /nfs/dbraw/zinc/68/20/83/906682083.db2.gz GBRMOMHPMZVILQ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001419413441 906682571 /nfs/dbraw/zinc/68/25/71/906682571.db2.gz NQJURVKHCZESIU-LPWJVIDDSA-N 1 3 296.415 -0.206 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419412202 906682812 /nfs/dbraw/zinc/68/28/12/906682812.db2.gz JQIFXXMFYXUROK-YVECIDJPSA-N 1 3 296.415 -0.301 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001419424329 906685842 /nfs/dbraw/zinc/68/58/42/906685842.db2.gz WHHWDOSGWKKRSW-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(N)=O ZINC001419466737 906699335 /nfs/dbraw/zinc/69/93/35/906699335.db2.gz GMIFXIWMOGPQLY-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419516829 906710822 /nfs/dbraw/zinc/71/08/22/906710822.db2.gz WLTADIXUFQGGIT-OLZOCXBDSA-N 1 3 298.431 -0.194 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001419617799 906743326 /nfs/dbraw/zinc/74/33/26/906743326.db2.gz AXNAZWRXTVKKOY-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419617799 906743339 /nfs/dbraw/zinc/74/33/39/906743339.db2.gz AXNAZWRXTVKKOY-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCCN1C ZINC001419680273 906764928 /nfs/dbraw/zinc/76/49/28/906764928.db2.gz FSSADUPVGBVBKT-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001419780136 906812819 /nfs/dbraw/zinc/81/28/19/906812819.db2.gz YMLBOUDZXGPEHC-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001419831499 906827035 /nfs/dbraw/zinc/82/70/35/906827035.db2.gz GNPCTTZPWJZKGY-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H](C)C(N)=O ZINC001419834246 906828309 /nfs/dbraw/zinc/82/83/09/906828309.db2.gz VYYQTVDQIWOQIX-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419831283 906829203 /nfs/dbraw/zinc/82/92/03/906829203.db2.gz NWVWNHKVAXZYGV-QWRGUYRKSA-N 1 3 293.371 -0.346 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419848554 906831461 /nfs/dbraw/zinc/83/14/61/906831461.db2.gz JAXOEUWGHUBNKT-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419848579 906831635 /nfs/dbraw/zinc/83/16/35/906831635.db2.gz JQIGSPMCXPRKIY-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(N)=O ZINC001419875160 906844887 /nfs/dbraw/zinc/84/48/87/906844887.db2.gz JUIGQUXTNBAGKQ-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902622 906848762 /nfs/dbraw/zinc/84/87/62/906848762.db2.gz ONHURLQBDFNSMP-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902622 906848770 /nfs/dbraw/zinc/84/87/70/906848770.db2.gz ONHURLQBDFNSMP-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001419909064 906853075 /nfs/dbraw/zinc/85/30/75/906853075.db2.gz QHBPOLNDWQMNTI-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001419943351 906865335 /nfs/dbraw/zinc/86/53/35/906865335.db2.gz YXEBOWAWNWRNFF-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(N)=O ZINC001419947844 906870201 /nfs/dbraw/zinc/87/02/01/906870201.db2.gz UCMCBCPFFGYMAB-WCQYABFASA-N 1 3 286.420 -0.212 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420010517 906895273 /nfs/dbraw/zinc/89/52/73/906895273.db2.gz IDSNOHISBMRZLL-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420010494 906895685 /nfs/dbraw/zinc/89/56/85/906895685.db2.gz IDSNOHISBMRZLL-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001420172024 906986197 /nfs/dbraw/zinc/98/61/97/906986197.db2.gz IHQAFUDXVAJLOU-OLZOCXBDSA-N 1 3 297.403 -0.673 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420325151 907102174 /nfs/dbraw/zinc/10/21/74/907102174.db2.gz QRNKTDMSQMOQHL-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420325151 907102180 /nfs/dbraw/zinc/10/21/80/907102180.db2.gz QRNKTDMSQMOQHL-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001420346020 907114262 /nfs/dbraw/zinc/11/42/62/907114262.db2.gz VGYURMWOOUVQQW-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O)[NH+](C)C ZINC001420465614 907175558 /nfs/dbraw/zinc/17/55/58/907175558.db2.gz XLZLGKFVXVJOJN-QJPTWQEYSA-N 1 3 284.404 -0.445 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001420499406 907183596 /nfs/dbraw/zinc/18/35/96/907183596.db2.gz GHWWHGCJESRXPS-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC ZINC001420739234 907291463 /nfs/dbraw/zinc/29/14/63/907291463.db2.gz JMTISVLRUAZQKH-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001420711481 907272721 /nfs/dbraw/zinc/27/27/21/907272721.db2.gz CRYMZRVGUKEBFW-RYUDHWBXSA-N 1 3 282.388 -0.641 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001420736797 907289565 /nfs/dbraw/zinc/28/95/65/907289565.db2.gz MMHBRDVFZKXLBJ-RWMBFGLXSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001420736797 907289580 /nfs/dbraw/zinc/28/95/80/907289580.db2.gz MMHBRDVFZKXLBJ-RWMBFGLXSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001420788385 907296815 /nfs/dbraw/zinc/29/68/15/907296815.db2.gz CMPRXCBVWLHSMB-WCQYABFASA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001421097042 907425734 /nfs/dbraw/zinc/42/57/34/907425734.db2.gz AATIGKJFBOQUSY-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001421421372 907540289 /nfs/dbraw/zinc/54/02/89/907540289.db2.gz KFNPEGZJWPUKCA-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483271 907563363 /nfs/dbraw/zinc/56/33/63/907563363.db2.gz AHJJQHNLRVXVKE-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483271 907563374 /nfs/dbraw/zinc/56/33/74/907563374.db2.gz AHJJQHNLRVXVKE-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001421488412 907568807 /nfs/dbraw/zinc/56/88/07/907568807.db2.gz INLUGEGNBPTXBD-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001421488412 907568821 /nfs/dbraw/zinc/56/88/21/907568821.db2.gz INLUGEGNBPTXBD-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421503456 907569219 /nfs/dbraw/zinc/56/92/19/907569219.db2.gz UFBXMCLWYWHJAI-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001421493081 907570459 /nfs/dbraw/zinc/57/04/59/907570459.db2.gz DEHHAONJJDHMEH-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001502092463 921336602 /nfs/dbraw/zinc/33/66/02/921336602.db2.gz PEGKGAUASLSXCZ-VXGBXAGGSA-N 1 3 273.352 -0.275 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001502092463 921336612 /nfs/dbraw/zinc/33/66/12/921336612.db2.gz PEGKGAUASLSXCZ-VXGBXAGGSA-N 1 3 273.352 -0.275 20 0 CBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001421708102 907623442 /nfs/dbraw/zinc/62/34/42/907623442.db2.gz QVXQHJXXZPZHCH-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945185 907686342 /nfs/dbraw/zinc/68/63/42/907686342.db2.gz ZOGRZWTZEUESHE-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CN1CCCC1 ZINC001421989702 907698440 /nfs/dbraw/zinc/69/84/40/907698440.db2.gz MHHKHYULVNASRU-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421989640 907699116 /nfs/dbraw/zinc/69/91/16/907699116.db2.gz MESHZSYHLMAUSJ-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421989640 907699126 /nfs/dbraw/zinc/69/91/26/907699126.db2.gz MESHZSYHLMAUSJ-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001422012542 907701808 /nfs/dbraw/zinc/70/18/08/907701808.db2.gz GYINKBMXPVUEFR-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001422042410 907706770 /nfs/dbraw/zinc/70/67/70/907706770.db2.gz DOHKWYIIFKCCAY-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001422042410 907706778 /nfs/dbraw/zinc/70/67/78/907706778.db2.gz DOHKWYIIFKCCAY-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC1([NH2+]CC(N)=O)CCN(C(=O)CN2CCCC2)CC1 ZINC001422071146 907714088 /nfs/dbraw/zinc/71/40/88/907714088.db2.gz YTCWVCYRHRDDGK-UHFFFAOYSA-N 1 3 282.388 -0.462 20 0 CBADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001422111513 907720144 /nfs/dbraw/zinc/72/01/44/907720144.db2.gz XOSXMDZWSCYPMH-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO Cc1cncc(CNC[C@H](O)CNC(=O)CC[NH+](C)C)c1 ZINC001422348970 907815961 /nfs/dbraw/zinc/81/59/61/907815961.db2.gz PYBLMXBYKQTIHD-AWEZNQCLSA-N 1 3 294.399 -0.092 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001422608350 907940292 /nfs/dbraw/zinc/94/02/92/907940292.db2.gz SWIGWCGZBZFKID-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001422693967 907975885 /nfs/dbraw/zinc/97/58/85/907975885.db2.gz AJLOLQGEWASAKS-QWRGUYRKSA-N 1 3 286.420 -0.068 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001422858124 908037702 /nfs/dbraw/zinc/03/77/02/908037702.db2.gz XLBHNBVQIOOHEL-FQUUOJAGSA-N 1 3 283.416 -0.141 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001422858124 908037716 /nfs/dbraw/zinc/03/77/16/908037716.db2.gz XLBHNBVQIOOHEL-FQUUOJAGSA-N 1 3 283.416 -0.141 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001423037215 908082572 /nfs/dbraw/zinc/08/25/72/908082572.db2.gz FHTGVEQDDZZCPM-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001423044663 908087397 /nfs/dbraw/zinc/08/73/97/908087397.db2.gz XJBBHYQQRYBGSF-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001423169028 908123918 /nfs/dbraw/zinc/12/39/18/908123918.db2.gz HBSOAZYSPSPOTF-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001423275641 908188551 /nfs/dbraw/zinc/18/85/51/908188551.db2.gz QOUVJSDBEKVRFQ-GFCCVEGCSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001423332096 908205634 /nfs/dbraw/zinc/20/56/34/908205634.db2.gz VLCYVGCAJFYOQD-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423473248 908247882 /nfs/dbraw/zinc/24/78/82/908247882.db2.gz UZOLHHTZCGOBAB-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423473248 908247891 /nfs/dbraw/zinc/24/78/91/908247891.db2.gz UZOLHHTZCGOBAB-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001423471959 908248641 /nfs/dbraw/zinc/24/86/41/908248641.db2.gz UGHQXAPUTATWNN-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001423480683 908252570 /nfs/dbraw/zinc/25/25/70/908252570.db2.gz WGWBFFDFWVBTHJ-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001424480564 908463067 /nfs/dbraw/zinc/46/30/67/908463067.db2.gz NMCGXKSSYDDYQN-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001424753861 908496974 /nfs/dbraw/zinc/49/69/74/908496974.db2.gz QVXCROLPHWTBLD-HIFPTAJRSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001425573461 908677659 /nfs/dbraw/zinc/67/76/59/908677659.db2.gz HBIYWXFVCDQLTH-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001425881301 908772879 /nfs/dbraw/zinc/77/28/79/908772879.db2.gz JXMIZYFZWNSJBD-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001425881301 908772872 /nfs/dbraw/zinc/77/28/72/908772872.db2.gz JXMIZYFZWNSJBD-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001425887244 908774580 /nfs/dbraw/zinc/77/45/80/908774580.db2.gz UTFJBXYLTLLASL-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425953464 908786690 /nfs/dbraw/zinc/78/66/90/908786690.db2.gz CFWDKOASCBNHOB-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505760785 921478869 /nfs/dbraw/zinc/47/88/69/921478869.db2.gz OYYXZGQIYKXXAR-VXGBXAGGSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001429472470 909244430 /nfs/dbraw/zinc/24/44/30/909244430.db2.gz USWMPXATWWTJGG-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001430283770 909321621 /nfs/dbraw/zinc/32/16/21/909321621.db2.gz IJODLWGFUXPAIJ-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001430299741 909323266 /nfs/dbraw/zinc/32/32/66/909323266.db2.gz JPEGGNDHEHEVJL-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001430299741 909323280 /nfs/dbraw/zinc/32/32/80/909323280.db2.gz JPEGGNDHEHEVJL-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001433619040 909790661 /nfs/dbraw/zinc/79/06/61/909790661.db2.gz OGEJWZOIKFNUBK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001433619035 909790713 /nfs/dbraw/zinc/79/07/13/909790713.db2.gz OGEJWZOIKFNUBK-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001433744694 909841270 /nfs/dbraw/zinc/84/12/70/909841270.db2.gz WNTOFTMXLPFBPP-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CC(=O)N1CC([NH2+][C@H]2CCOC2)C1)[C@@H]1CCC[C@H]1O ZINC001434383526 910143667 /nfs/dbraw/zinc/14/36/67/910143667.db2.gz GICZDEALPMBOMA-IACUBPJLSA-N 1 3 297.399 -0.579 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001436394498 910437366 /nfs/dbraw/zinc/43/73/66/910437366.db2.gz ANOAVNSEKGWETH-XYPYZODXSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436878686 910496612 /nfs/dbraw/zinc/49/66/12/910496612.db2.gz XJVPACHRRLLBHT-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436878686 910496620 /nfs/dbraw/zinc/49/66/20/910496620.db2.gz XJVPACHRRLLBHT-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001436875840 910499288 /nfs/dbraw/zinc/49/92/88/910499288.db2.gz BXRUCPKRPVEOJS-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001436876527 910499805 /nfs/dbraw/zinc/49/98/05/910499805.db2.gz PLLXIDFRJZKVOV-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001436950740 910517596 /nfs/dbraw/zinc/51/75/96/910517596.db2.gz FVCSVXDUMREBCA-GRYCIOLGSA-N 1 3 296.415 -0.029 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001436977839 910523028 /nfs/dbraw/zinc/52/30/28/910523028.db2.gz WPIMBTNTMKTERV-XQQFMLRXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437202944 910584251 /nfs/dbraw/zinc/58/42/51/910584251.db2.gz QWMMZRXJBMBNPE-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCNC1=O ZINC001437245334 910598852 /nfs/dbraw/zinc/59/88/52/910598852.db2.gz ZUZBBPPUDYVSKH-MNOVXSKESA-N 1 3 280.372 -0.935 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001437258406 910600145 /nfs/dbraw/zinc/60/01/45/910600145.db2.gz HHGCCHIVJQWGHF-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001437258406 910600160 /nfs/dbraw/zinc/60/01/60/910600160.db2.gz HHGCCHIVJQWGHF-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001437316521 910612860 /nfs/dbraw/zinc/61/28/60/910612860.db2.gz QJEYESPQUCZGHW-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCN1C ZINC001437828869 910755396 /nfs/dbraw/zinc/75/53/96/910755396.db2.gz OCXITXKQPQUBTI-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001437833632 910761579 /nfs/dbraw/zinc/76/15/79/910761579.db2.gz ZCLUHYKOALIXRX-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991398 910789290 /nfs/dbraw/zinc/78/92/90/910789290.db2.gz MCDSFUTYAIZWPU-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001438527503 910911480 /nfs/dbraw/zinc/91/14/80/910911480.db2.gz GHMLPCYEZHELQI-NWDGAFQWSA-N 1 3 284.404 -0.584 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001506837745 921626336 /nfs/dbraw/zinc/62/63/36/921626336.db2.gz TUMXEHAGUZNJOK-CHWSQXEVSA-N 1 3 299.415 -0.332 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001439076536 911090570 /nfs/dbraw/zinc/09/05/70/911090570.db2.gz HWIQVFOTTBYUEP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439083917 911095348 /nfs/dbraw/zinc/09/53/48/911095348.db2.gz MDXAVIVUWANGJZ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439083917 911095366 /nfs/dbraw/zinc/09/53/66/911095366.db2.gz MDXAVIVUWANGJZ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001439150890 911118480 /nfs/dbraw/zinc/11/84/80/911118480.db2.gz TYHLADQZMNRHED-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439159245 911120346 /nfs/dbraw/zinc/12/03/46/911120346.db2.gz PSAKELIGSRZWLP-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439159245 911120351 /nfs/dbraw/zinc/12/03/51/911120351.db2.gz PSAKELIGSRZWLP-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439151334 911120372 /nfs/dbraw/zinc/12/03/72/911120372.db2.gz CXGSEKAWQRPBID-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001439148109 911121508 /nfs/dbraw/zinc/12/15/08/911121508.db2.gz JSDVISPPAMOQCQ-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001439223795 911146782 /nfs/dbraw/zinc/14/67/82/911146782.db2.gz DPQKWTTWYDBUSY-HBNTYKKESA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439268027 911161895 /nfs/dbraw/zinc/16/18/95/911161895.db2.gz FXFNCEAKCNMDGR-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439268027 911161903 /nfs/dbraw/zinc/16/19/03/911161903.db2.gz FXFNCEAKCNMDGR-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO NC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001439484074 911217269 /nfs/dbraw/zinc/21/72/69/911217269.db2.gz LGVAMWHHVWTSOM-LLVKDONJSA-N 1 3 280.372 -0.948 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905163 911309664 /nfs/dbraw/zinc/30/96/64/911309664.db2.gz WWGKDYLJCWZMGU-RISCZKNCSA-N 1 3 282.388 -0.606 20 0 CBADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001439992560 911335522 /nfs/dbraw/zinc/33/55/22/911335522.db2.gz SZUJTVWMGVQZKI-OAHLLOKOSA-N 1 3 299.415 -0.330 20 0 CBADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001439992560 911335541 /nfs/dbraw/zinc/33/55/41/911335541.db2.gz SZUJTVWMGVQZKI-OAHLLOKOSA-N 1 3 299.415 -0.330 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001440315551 911428541 /nfs/dbraw/zinc/42/85/41/911428541.db2.gz FDIIRQDUWSZPSR-UPJWGTAASA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001440372423 911439657 /nfs/dbraw/zinc/43/96/57/911439657.db2.gz HFGGUEARSPBZED-DGCLKSJQSA-N 1 3 296.371 -0.196 20 0 CBADHO COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001440372420 911439933 /nfs/dbraw/zinc/43/99/33/911439933.db2.gz HFGGUEARSPBZED-AAEUAGOBSA-N 1 3 296.371 -0.196 20 0 CBADHO CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248384 911630490 /nfs/dbraw/zinc/63/04/90/911630490.db2.gz AURWNADTJBHWLN-STQMWFEESA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248384 911630517 /nfs/dbraw/zinc/63/05/17/911630517.db2.gz AURWNADTJBHWLN-STQMWFEESA-N 1 3 296.415 -0.489 20 0 CBADHO C[NH+](C)CC1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1 ZINC001441236528 911631755 /nfs/dbraw/zinc/63/17/55/911631755.db2.gz BINHOTFJKZXBBM-LLVKDONJSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441487620 911680939 /nfs/dbraw/zinc/68/09/39/911680939.db2.gz NAQYBJDFHRRVOW-MXWKQRLJSA-N 1 3 282.388 -0.419 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441487619 911682226 /nfs/dbraw/zinc/68/22/26/911682226.db2.gz NAQYBJDFHRRVOW-GARJFASQSA-N 1 3 282.388 -0.419 20 0 CBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001441544503 911697736 /nfs/dbraw/zinc/69/77/36/911697736.db2.gz WIVNMNHEKHTTCG-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001441544505 911702268 /nfs/dbraw/zinc/70/22/68/911702268.db2.gz WIVNMNHEKHTTCG-MNOVXSKESA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001441544508 911703432 /nfs/dbraw/zinc/70/34/32/911703432.db2.gz WIVNMNHEKHTTCG-QWRGUYRKSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581792 911711491 /nfs/dbraw/zinc/71/14/91/911711491.db2.gz BVLMJFNVRVVOEE-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001507156391 921691103 /nfs/dbraw/zinc/69/11/03/921691103.db2.gz XPCOGIGFFGXLNJ-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCC1 ZINC001507156390 921691968 /nfs/dbraw/zinc/69/19/68/921691968.db2.gz XPCOGIGFFGXLNJ-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001441838523 911832346 /nfs/dbraw/zinc/83/23/46/911832346.db2.gz GOQYNWCXBCKMBT-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCNC1=O ZINC001442010982 911893487 /nfs/dbraw/zinc/89/34/87/911893487.db2.gz OXBLQOCMIYGRLC-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001442052745 911908273 /nfs/dbraw/zinc/90/82/73/911908273.db2.gz PQEPVCNMFKQCIF-WCQYABFASA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001442052745 911908280 /nfs/dbraw/zinc/90/82/80/911908280.db2.gz PQEPVCNMFKQCIF-WCQYABFASA-N 1 3 279.388 -0.034 20 0 CBADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442051475 911910701 /nfs/dbraw/zinc/91/07/01/911910701.db2.gz NQGCHDYTTWCPAU-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442051475 911910713 /nfs/dbraw/zinc/91/07/13/911910713.db2.gz NQGCHDYTTWCPAU-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001442142304 911938498 /nfs/dbraw/zinc/93/84/98/911938498.db2.gz FBSDIVHUXJSDQP-AAEUAGOBSA-N 1 3 296.371 -0.602 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001443073879 912149066 /nfs/dbraw/zinc/14/90/66/912149066.db2.gz AWYLFWZOFNCOHP-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107878 912155752 /nfs/dbraw/zinc/15/57/52/912155752.db2.gz ZIMNCNABPGZJQE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107878 912155767 /nfs/dbraw/zinc/15/57/67/912155767.db2.gz ZIMNCNABPGZJQE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472084035 915691732 /nfs/dbraw/zinc/69/17/32/915691732.db2.gz XZGVEUQBRKAQTQ-ZYHUDNBSSA-N 1 3 253.346 -0.330 20 0 CBADHO CC[C@H](CNS(C)(=O)=O)NC1CC[NH+](C)CC1 ZINC001474532473 915896380 /nfs/dbraw/zinc/89/63/80/915896380.db2.gz WBFPHLHZQXMBGO-SNVBAGLBSA-N 1 3 263.407 -0.002 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001480047351 916272667 /nfs/dbraw/zinc/27/26/67/916272667.db2.gz RBRNOOBIQTZBFL-WCQYABFASA-N 1 3 269.389 -0.195 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC001480166912 916316333 /nfs/dbraw/zinc/31/63/33/916316333.db2.gz DYVYKCBBMHGOIK-FIQHERPVSA-N 1 3 257.378 -0.056 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCC(N)=O)CC1 ZINC001480563689 916474043 /nfs/dbraw/zinc/47/40/43/916474043.db2.gz ZWCTVADIJZURPS-LLVKDONJSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(N)=O)[NH+](C)C ZINC001480574629 916477812 /nfs/dbraw/zinc/47/78/12/916477812.db2.gz GSXZLUPXBZAMIZ-MWLCHTKSSA-N 1 3 258.366 -0.848 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001480566936 916480022 /nfs/dbraw/zinc/48/00/22/916480022.db2.gz XNMLNROQTSCUHP-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001480566936 916480032 /nfs/dbraw/zinc/48/00/32/916480032.db2.gz XNMLNROQTSCUHP-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590821 916488526 /nfs/dbraw/zinc/48/85/26/916488526.db2.gz VNCDLSBHRXHIPJ-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590821 916488531 /nfs/dbraw/zinc/48/85/31/916488531.db2.gz VNCDLSBHRXHIPJ-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001480639424 916506594 /nfs/dbraw/zinc/50/65/94/916506594.db2.gz ZNEYEKBJMBHVAV-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480866088 916592979 /nfs/dbraw/zinc/59/29/79/916592979.db2.gz VNVBHIPAEMMCPX-GFCCVEGCSA-N 1 3 255.362 -0.632 20 0 CBADHO COC[C@@H](O)C[N@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001481162169 916740450 /nfs/dbraw/zinc/74/04/50/916740450.db2.gz GBXLZFPAXNNBGK-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001481162169 916740458 /nfs/dbraw/zinc/74/04/58/916740458.db2.gz GBXLZFPAXNNBGK-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@H](O)C[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001481279733 916804445 /nfs/dbraw/zinc/80/44/45/916804445.db2.gz KGASXUAAZXESPP-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(N)=O ZINC001481314312 916817579 /nfs/dbraw/zinc/81/75/79/916817579.db2.gz DJWRKXBYQCBESU-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001481478715 916843951 /nfs/dbraw/zinc/84/39/51/916843951.db2.gz AOGSXSROFCDLAK-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001481478715 916843963 /nfs/dbraw/zinc/84/39/63/916843963.db2.gz AOGSXSROFCDLAK-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481812527 916994621 /nfs/dbraw/zinc/99/46/21/916994621.db2.gz OCYXNBSBHKHRIC-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481812527 916994634 /nfs/dbraw/zinc/99/46/34/916994634.db2.gz OCYXNBSBHKHRIC-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001481849790 917002679 /nfs/dbraw/zinc/00/26/79/917002679.db2.gz FYSQFBKLDGORBQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001481870500 917009979 /nfs/dbraw/zinc/00/99/79/917009979.db2.gz MYRLJZPCIDDRQM-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001481870500 917009993 /nfs/dbraw/zinc/00/99/93/917009993.db2.gz MYRLJZPCIDDRQM-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001481870499 917011847 /nfs/dbraw/zinc/01/18/47/917011847.db2.gz MYRLJZPCIDDRQM-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001481870499 917011868 /nfs/dbraw/zinc/01/18/68/917011868.db2.gz MYRLJZPCIDDRQM-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481873587 917012169 /nfs/dbraw/zinc/01/21/69/917012169.db2.gz BFHQWJSQCYIVSS-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481873587 917012178 /nfs/dbraw/zinc/01/21/78/917012178.db2.gz BFHQWJSQCYIVSS-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001482057701 917031724 /nfs/dbraw/zinc/03/17/24/917031724.db2.gz QLRRRMHMMHMWOW-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001482057701 917031738 /nfs/dbraw/zinc/03/17/38/917031738.db2.gz QLRRRMHMMHMWOW-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482295684 917118265 /nfs/dbraw/zinc/11/82/65/917118265.db2.gz DTNMQBLJVOVYTE-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482295684 917118271 /nfs/dbraw/zinc/11/82/71/917118271.db2.gz DTNMQBLJVOVYTE-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325841 917126870 /nfs/dbraw/zinc/12/68/70/917126870.db2.gz MSFMMJMECCRULY-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001482354443 917136354 /nfs/dbraw/zinc/13/63/54/917136354.db2.gz QTKNWOZJEARDBR-ZJUUUORDSA-N 1 3 258.366 -0.752 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001482354440 917136630 /nfs/dbraw/zinc/13/66/30/917136630.db2.gz QTKNWOZJEARDBR-UWVGGRQHSA-N 1 3 258.366 -0.752 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925161 917339158 /nfs/dbraw/zinc/33/91/58/917339158.db2.gz LZLHFQRNLAFDHA-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482925161 917339172 /nfs/dbraw/zinc/33/91/72/917339172.db2.gz LZLHFQRNLAFDHA-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001482990703 917360266 /nfs/dbraw/zinc/36/02/66/917360266.db2.gz GQYWSHZKWKTVDK-DLGQBQFBSA-N 1 3 255.362 -0.275 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009129 917372588 /nfs/dbraw/zinc/37/25/88/917372588.db2.gz RGUSMPYCAPEIMX-VWLQNONNSA-N 1 3 282.388 -0.538 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009129 917372598 /nfs/dbraw/zinc/37/25/98/917372598.db2.gz RGUSMPYCAPEIMX-VWLQNONNSA-N 1 3 282.388 -0.538 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483166129 917447337 /nfs/dbraw/zinc/44/73/37/917447337.db2.gz AGCXQFORHQNIIU-JHJVBQTASA-N 1 3 287.404 -0.570 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483198586 917460747 /nfs/dbraw/zinc/46/07/47/917460747.db2.gz VGZAXBWHXGMGDV-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(N)=O)[NH+]1CCCC1 ZINC001483197608 917462225 /nfs/dbraw/zinc/46/22/25/917462225.db2.gz MZVKAHYQGNDZKF-DGCLKSJQSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(N)=O)[NH+]1CCCC1 ZINC001483197609 917462717 /nfs/dbraw/zinc/46/27/17/917462717.db2.gz MZVKAHYQGNDZKF-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001483286035 917506062 /nfs/dbraw/zinc/50/60/62/917506062.db2.gz JDFGPRGWLMAWAX-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483296540 917508772 /nfs/dbraw/zinc/50/87/72/917508772.db2.gz JZESWQRLFZXWAK-QWRGUYRKSA-N 1 3 298.387 -0.774 20 0 CBADHO C[C@H](CN(C)CCO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340337 917540168 /nfs/dbraw/zinc/54/01/68/917540168.db2.gz ZRJAPJBQJIWXGC-YPMHNXCESA-N 1 3 269.389 -0.243 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001483495158 917582977 /nfs/dbraw/zinc/58/29/77/917582977.db2.gz QWMANNGIPHZRHG-GFCCVEGCSA-N 1 3 293.371 -0.379 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CCC[C@H]2CNCC(N)=O)CC1 ZINC001483946785 917711873 /nfs/dbraw/zinc/71/18/73/917711873.db2.gz SQGMLDQTCXRKKY-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483953032 917712822 /nfs/dbraw/zinc/71/28/22/917712822.db2.gz UHTQMWGTPIWCHE-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483945493 917713276 /nfs/dbraw/zinc/71/32/76/917713276.db2.gz ZCOMOKKIYVUKHC-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483945493 917713294 /nfs/dbraw/zinc/71/32/94/917713294.db2.gz ZCOMOKKIYVUKHC-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001483959573 917717531 /nfs/dbraw/zinc/71/75/31/917717531.db2.gz YIZRFECQSCGKPE-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072492 917729638 /nfs/dbraw/zinc/72/96/38/917729638.db2.gz VOQVBYJUVAIYIQ-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072492 917729646 /nfs/dbraw/zinc/72/96/46/917729646.db2.gz VOQVBYJUVAIYIQ-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246399 917788752 /nfs/dbraw/zinc/78/87/52/917788752.db2.gz JVEWMNVUCRFVCE-HNNXBMFYSA-N 1 3 297.399 -0.718 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC)C1)N(C)C ZINC001484248084 917792450 /nfs/dbraw/zinc/79/24/50/917792450.db2.gz ZNSDAURTEIOIOF-DGCLKSJQSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC)C1)N(C)C ZINC001484248084 917792472 /nfs/dbraw/zinc/79/24/72/917792472.db2.gz ZNSDAURTEIOIOF-DGCLKSJQSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001484697478 917926217 /nfs/dbraw/zinc/92/62/17/917926217.db2.gz VUAFPURATHFACW-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001484693536 917926333 /nfs/dbraw/zinc/92/63/33/917926333.db2.gz VKKIGGRLAMGWHU-STQMWFEESA-N 1 3 285.388 -0.863 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(N)=O ZINC001484897798 917963261 /nfs/dbraw/zinc/96/32/61/917963261.db2.gz RHULZGWTHBVPLR-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001485159692 918015632 /nfs/dbraw/zinc/01/56/32/918015632.db2.gz ZBVJFBZNXWNRAN-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NC1CC1 ZINC001485188781 918024433 /nfs/dbraw/zinc/02/44/33/918024433.db2.gz JHTSGNHVVKMGSU-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218074 918033863 /nfs/dbraw/zinc/03/38/63/918033863.db2.gz XVNGURWTVDRQOO-ZJUUUORDSA-N 1 3 268.361 -0.950 20 0 CBADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471132 918121491 /nfs/dbraw/zinc/12/14/91/918121491.db2.gz CZGSUEWIELLTHY-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471132 918121503 /nfs/dbraw/zinc/12/15/03/918121503.db2.gz CZGSUEWIELLTHY-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001485704687 918170834 /nfs/dbraw/zinc/17/08/34/918170834.db2.gz XXHKJDQIMAAHDR-XYPYZODXSA-N 1 3 266.345 -0.263 20 0 CBADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001485822043 918195692 /nfs/dbraw/zinc/19/56/92/918195692.db2.gz CXAUNOVEQMHKTG-ZDUSSCGKSA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001485854817 918206972 /nfs/dbraw/zinc/20/69/72/918206972.db2.gz HKTFSHUEFPNVIS-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001485854815 918208818 /nfs/dbraw/zinc/20/88/18/918208818.db2.gz HKTFSHUEFPNVIS-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001485921031 918231953 /nfs/dbraw/zinc/23/19/53/918231953.db2.gz XUCFVHDMXLAJNE-QWRGUYRKSA-N 1 3 284.404 -0.362 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001485947074 918239847 /nfs/dbraw/zinc/23/98/47/918239847.db2.gz LRTZCDMBLQQEKR-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120635 918373543 /nfs/dbraw/zinc/37/35/43/918373543.db2.gz DHUYZDYHLQZLSN-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001486240010 918389674 /nfs/dbraw/zinc/38/96/74/918389674.db2.gz HTQQLDJNGKTFIX-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO COCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001486300589 918417498 /nfs/dbraw/zinc/41/74/98/918417498.db2.gz FNOWLUXCAKDZGO-NSHDSACASA-N 1 3 270.333 -0.993 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001488803200 918768176 /nfs/dbraw/zinc/76/81/76/918768176.db2.gz DBBLJZPRCPTCLX-SDDRHHMPSA-N 1 3 284.404 -0.315 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488832494 918772214 /nfs/dbraw/zinc/77/22/14/918772214.db2.gz YRDLZHDNPPVSBE-HAQNSBGRSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456601 919171556 /nfs/dbraw/zinc/17/15/56/919171556.db2.gz IDNKMRAPKAQFTE-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001491456601 919171562 /nfs/dbraw/zinc/17/15/62/919171562.db2.gz IDNKMRAPKAQFTE-IJLUTSLNSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001491502885 919186122 /nfs/dbraw/zinc/18/61/22/919186122.db2.gz CDJHTKOSOSIVEL-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001491502885 919186132 /nfs/dbraw/zinc/18/61/32/919186132.db2.gz CDJHTKOSOSIVEL-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(N)=O ZINC001491565768 919205748 /nfs/dbraw/zinc/20/57/48/919205748.db2.gz QBMSCJVUZOJGIA-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCC1 ZINC001491569418 919210741 /nfs/dbraw/zinc/21/07/41/919210741.db2.gz QLAOMBBWKIHHTC-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCCO ZINC001491652006 919242692 /nfs/dbraw/zinc/24/26/92/919242692.db2.gz USFODUSTOUSDEK-SECBINFHSA-N 1 3 254.334 -0.263 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC)CC[N@@H+]1C ZINC001493550700 919577554 /nfs/dbraw/zinc/57/75/54/919577554.db2.gz IMKUIRKVYCEISJ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC)CC[N@H+]1C ZINC001493550700 919577570 /nfs/dbraw/zinc/57/75/70/919577570.db2.gz IMKUIRKVYCEISJ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)NC1CC1)[NH+](C)C ZINC001493586390 919586104 /nfs/dbraw/zinc/58/61/04/919586104.db2.gz PQLMVEBEEBUPLA-AWEZNQCLSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001495095928 919861022 /nfs/dbraw/zinc/86/10/22/919861022.db2.gz ZMQRFFKBSQYADH-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001495095928 919861031 /nfs/dbraw/zinc/86/10/31/919861031.db2.gz ZMQRFFKBSQYADH-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496055425 920019254 /nfs/dbraw/zinc/01/92/54/920019254.db2.gz LRGQXZGJZNCQDF-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496055425 920019272 /nfs/dbraw/zinc/01/92/72/920019272.db2.gz LRGQXZGJZNCQDF-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496083255 920021910 /nfs/dbraw/zinc/02/19/10/920021910.db2.gz WEJAENAPYPDVLE-QWRGUYRKSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082239 920022666 /nfs/dbraw/zinc/02/26/66/920022666.db2.gz SHIVXQQZBMPSEN-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496143687 920032041 /nfs/dbraw/zinc/03/20/41/920032041.db2.gz DZIBDYXICGCWHW-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496143687 920032051 /nfs/dbraw/zinc/03/20/51/920032051.db2.gz DZIBDYXICGCWHW-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001496141744 920032101 /nfs/dbraw/zinc/03/21/01/920032101.db2.gz BSLXJEVSSMACJO-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149006 920035354 /nfs/dbraw/zinc/03/53/54/920035354.db2.gz JEOMQHMAZHWMQN-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149007 920035390 /nfs/dbraw/zinc/03/53/90/920035390.db2.gz JEOMQHMAZHWMQN-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001496599586 920093671 /nfs/dbraw/zinc/09/36/71/920093671.db2.gz RTMMPKCKYKYXRL-AVGNSLFASA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001496599586 920093683 /nfs/dbraw/zinc/09/36/83/920093683.db2.gz RTMMPKCKYKYXRL-AVGNSLFASA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(N)=O ZINC001496643958 920101161 /nfs/dbraw/zinc/10/11/61/920101161.db2.gz WWLHSTLUXGUABQ-LLVKDONJSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001497334512 920285583 /nfs/dbraw/zinc/28/55/83/920285583.db2.gz YEOJWXGLAWHOJN-SNVBAGLBSA-N 1 3 258.366 -0.704 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)C1(N(C)C)CCC1 ZINC001497400266 920300943 /nfs/dbraw/zinc/30/09/43/920300943.db2.gz CMFWZTFSBAVJRD-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001497676472 920365806 /nfs/dbraw/zinc/36/58/06/920365806.db2.gz YZIINZJMYOOTFS-VSQXVHSFSA-N 1 3 282.388 -0.521 20 0 CBADHO CC[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729712 920375826 /nfs/dbraw/zinc/37/58/26/920375826.db2.gz HVDJULYCJVBXAJ-WWKJKZQJSA-N 1 3 296.415 -0.146 20 0 CBADHO CC[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729712 920375844 /nfs/dbraw/zinc/37/58/44/920375844.db2.gz HVDJULYCJVBXAJ-WWKJKZQJSA-N 1 3 296.415 -0.146 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497817690 920404047 /nfs/dbraw/zinc/40/40/47/920404047.db2.gz SUCFSBRGLQEROT-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497891626 920419449 /nfs/dbraw/zinc/41/94/49/920419449.db2.gz VZXYAWCGQBEAAR-VWYCJHECSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497891626 920419462 /nfs/dbraw/zinc/41/94/62/920419462.db2.gz VZXYAWCGQBEAAR-VWYCJHECSA-N 1 3 270.377 -0.704 20 0 CBADHO Cc1nc(CNC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001497961912 920430472 /nfs/dbraw/zinc/43/04/72/920430472.db2.gz DWDVGPLCJJDXCC-SNVBAGLBSA-N 1 3 292.387 -0.197 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983507 920433183 /nfs/dbraw/zinc/43/31/83/920433183.db2.gz FEGBLWMVEAGONM-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983507 920433193 /nfs/dbraw/zinc/43/31/93/920433193.db2.gz FEGBLWMVEAGONM-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001497991110 920433487 /nfs/dbraw/zinc/43/34/87/920433487.db2.gz UPBQSTJLWSJQKV-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983378 920435228 /nfs/dbraw/zinc/43/52/28/920435228.db2.gz CUVQFPXRPVKSJO-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983378 920435241 /nfs/dbraw/zinc/43/52/41/920435241.db2.gz CUVQFPXRPVKSJO-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498041996 920459186 /nfs/dbraw/zinc/45/91/86/920459186.db2.gz JHSOMWHVAMGAEP-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498041996 920459193 /nfs/dbraw/zinc/45/91/93/920459193.db2.gz JHSOMWHVAMGAEP-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001498061141 920466127 /nfs/dbraw/zinc/46/61/27/920466127.db2.gz SKSVYGFALMYFNZ-GARJFASQSA-N 1 3 298.387 -0.774 20 0 CBADHO C[C@@H](C[NH2+]CCCO)NC(=O)CN1CC[C@@H](C)C1 ZINC001498118558 920487639 /nfs/dbraw/zinc/48/76/39/920487639.db2.gz RQALELAYGVCUDB-NEPJUHHUSA-N 1 3 257.378 -0.195 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001498161953 920506289 /nfs/dbraw/zinc/50/62/89/920506289.db2.gz YOFWWMXCEXODDG-RYUDHWBXSA-N 1 3 282.392 -0.287 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161124 920506747 /nfs/dbraw/zinc/50/67/47/920506747.db2.gz RYRICKGOYRSYJX-QWRGUYRKSA-N 1 3 280.372 -0.935 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001498197541 920513933 /nfs/dbraw/zinc/51/39/33/920513933.db2.gz PAIKYRZBJZYISA-RYUDHWBXSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001498561239 920609949 /nfs/dbraw/zinc/60/99/49/920609949.db2.gz XWMPAGOWOMUJDP-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CCC[NH2+]CCn1cncn1)C(=O)[C@H]1CCCN1C ZINC001498592996 920616750 /nfs/dbraw/zinc/61/67/50/920616750.db2.gz XIWZWAZFWIROPB-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001498771273 920638707 /nfs/dbraw/zinc/63/87/07/920638707.db2.gz VCQXBTJBORXBQX-GFCCVEGCSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001499922757 920786848 /nfs/dbraw/zinc/78/68/48/920786848.db2.gz JECYYBSZXXZROX-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+]1CCC(OCC(=O)N[C@]2(C)CCN(CCO)C2)CC1 ZINC001500272292 920820632 /nfs/dbraw/zinc/82/06/32/920820632.db2.gz MKNIYDWSPLPKRH-OAHLLOKOSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051089 920938959 /nfs/dbraw/zinc/93/89/59/920938959.db2.gz RHAZTOSBRLUQJQ-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442933 921824813 /nfs/dbraw/zinc/82/48/13/921824813.db2.gz KXAIXGHEKMSDJA-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001507453738 921828844 /nfs/dbraw/zinc/82/88/44/921828844.db2.gz MXSBNULMWGBQMW-LBPRGKRZSA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740980 922376866 /nfs/dbraw/zinc/37/68/66/922376866.db2.gz RPQHWDYWYKQMBR-VXGBXAGGSA-N 1 3 266.389 -0.319 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c(c1)CNC2 ZINC001522247048 922402876 /nfs/dbraw/zinc/40/28/76/922402876.db2.gz BRMVTQSBEIUALO-ZDUSSCGKSA-N 1 3 263.341 -0.058 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001522654074 922498710 /nfs/dbraw/zinc/49/87/10/922498710.db2.gz MQJZUMYBIDKGSP-NSHDSACASA-N 1 3 293.371 -0.555 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001522654074 922498719 /nfs/dbraw/zinc/49/87/19/922498719.db2.gz MQJZUMYBIDKGSP-NSHDSACASA-N 1 3 293.371 -0.555 20 0 CBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CNCCN1C ZINC001522668023 922500915 /nfs/dbraw/zinc/50/09/15/922500915.db2.gz QVHSDFPRVYBSGQ-NWDGAFQWSA-N 1 3 254.378 -0.510 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001522696614 922503928 /nfs/dbraw/zinc/50/39/28/922503928.db2.gz DOEVVMPCXAQINQ-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001522696614 922503940 /nfs/dbraw/zinc/50/39/40/922503940.db2.gz DOEVVMPCXAQINQ-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001522765414 922516269 /nfs/dbraw/zinc/51/62/69/922516269.db2.gz TWMCCMGJXKFTQJ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001522765414 922516279 /nfs/dbraw/zinc/51/62/79/922516279.db2.gz TWMCCMGJXKFTQJ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001522765412 922516776 /nfs/dbraw/zinc/51/67/76/922516776.db2.gz TWMCCMGJXKFTQJ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001522765412 922516789 /nfs/dbraw/zinc/51/67/89/922516789.db2.gz TWMCCMGJXKFTQJ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001523570902 922600376 /nfs/dbraw/zinc/60/03/76/922600376.db2.gz CYNTZDHLMBPPTA-ZWNOBZJWSA-N 1 3 269.345 -0.379 20 0 CBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001530649073 922956144 /nfs/dbraw/zinc/95/61/44/922956144.db2.gz QUPUJUZHDCTNHD-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001533585817 923110631 /nfs/dbraw/zinc/11/06/31/923110631.db2.gz KBIKUPMLNQZZJV-DSYXLKISSA-N 1 3 296.415 -0.179 20 0 CBADHO COCC1(CNC(=O)[C@@H]2CNCCN2C)CC[NH2+]CC1 ZINC001548558227 923384185 /nfs/dbraw/zinc/38/41/85/923384185.db2.gz NVKMOMBZEKFIKV-LBPRGKRZSA-N 1 3 284.404 -0.978 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001548561238 923387700 /nfs/dbraw/zinc/38/77/00/923387700.db2.gz JLCFOSITKXTFTE-MGPQQGTHSA-N 1 3 280.416 -0.119 20 0 CBADHO COC[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCCN1 ZINC001548569546 923390350 /nfs/dbraw/zinc/39/03/50/923390350.db2.gz PHQPOVQHNLBXMX-RISCZKNCSA-N 1 3 283.372 -0.608 20 0 CBADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001548573232 923396525 /nfs/dbraw/zinc/39/65/25/923396525.db2.gz IQIWZAINBLUXRX-OLZOCXBDSA-N 1 3 263.341 -0.189 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC2(CNC2)O1 ZINC001548575836 923400124 /nfs/dbraw/zinc/40/01/24/923400124.db2.gz JKMZXEIOZYBREV-QWRGUYRKSA-N 1 3 283.372 -0.670 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575361 923400381 /nfs/dbraw/zinc/40/03/81/923400381.db2.gz AMUMJCAUEYFZFM-JTQLQIEISA-N 1 3 255.362 -0.179 20 0 CBADHO CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC2(CNC2)O1 ZINC001548576241 923401353 /nfs/dbraw/zinc/40/13/53/923401353.db2.gz NOMZGBBZRDIGJD-NHYWBVRUSA-N 1 3 295.383 -0.798 20 0 CBADHO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699348 923457184 /nfs/dbraw/zinc/45/71/84/923457184.db2.gz CCUOJHAZYRHCSV-QWHCGFSZSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699348 923457190 /nfs/dbraw/zinc/45/71/90/923457190.db2.gz CCUOJHAZYRHCSV-QWHCGFSZSA-N 1 3 280.416 -0.073 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3[NH3+])C2)nn1 ZINC001549031968 923524918 /nfs/dbraw/zinc/52/49/18/923524918.db2.gz DXXVRCNENBEMJX-VWYCJHECSA-N 1 3 264.333 -0.753 20 0 CBADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549044281 923531216 /nfs/dbraw/zinc/53/12/16/923531216.db2.gz LROBAQDEHGQHBX-XBFCOCLRSA-N 1 3 275.352 -0.288 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001549047305 923542376 /nfs/dbraw/zinc/54/23/76/923542376.db2.gz ODOCOQWFEKSDGD-NWDGAFQWSA-N 1 3 278.360 -0.348 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549046893 923543234 /nfs/dbraw/zinc/54/32/34/923543234.db2.gz BUZKIEMSSGTBCK-RYUDHWBXSA-N 1 3 280.376 -0.116 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047678 923546200 /nfs/dbraw/zinc/54/62/00/923546200.db2.gz WIDZCVZHNYMIKM-WCQYABFASA-N 1 3 292.387 -0.100 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@@H]2[NH3+])cn1 ZINC001549049068 923547199 /nfs/dbraw/zinc/54/71/99/923547199.db2.gz CEFUBGQKEWZBQF-AVGNSLFASA-N 1 3 293.371 -0.948 20 0 CBADHO C[C@@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001549047683 923547696 /nfs/dbraw/zinc/54/76/96/923547696.db2.gz WKRSZCMKHSVKTC-GXTWGEPZSA-N 1 3 292.387 -0.100 20 0 CBADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1CNCCO1)C2 ZINC001549128588 923559966 /nfs/dbraw/zinc/55/99/66/923559966.db2.gz FHDYMRQXSQGPRP-BZPMIXESSA-N 1 3 267.373 -0.048 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549130265 923560760 /nfs/dbraw/zinc/56/07/60/923560760.db2.gz YKBDYVHPUYLLMT-OSAQELSMSA-N 1 3 296.415 -0.327 20 0 CBADHO N[C@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC001549299834 923588401 /nfs/dbraw/zinc/58/84/01/923588401.db2.gz LRIBLTFAAQETOY-QDYJBQRPSA-N 1 3 253.346 -0.392 20 0 CBADHO CC[C@H](N)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728989 923633184 /nfs/dbraw/zinc/63/31/84/923633184.db2.gz WNAHJTSWDWUXDA-GVXVVHGQSA-N 1 3 282.388 -0.513 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084548 923670634 /nfs/dbraw/zinc/67/06/34/923670634.db2.gz FAVGPDDJIUAYHQ-AAEUAGOBSA-N 1 3 296.415 -0.408 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096297 923678877 /nfs/dbraw/zinc/67/88/77/923678877.db2.gz JNJLNFSIAFXLIQ-UPJWGTAASA-N 1 3 292.387 -0.102 20 0 CBADHO C[C@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550094878 923679180 /nfs/dbraw/zinc/67/91/80/923679180.db2.gz ZAZKOKPRWULFLM-DGCLKSJQSA-N 1 3 278.360 -0.348 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550094960 923679198 /nfs/dbraw/zinc/67/91/98/923679198.db2.gz AVVDTJTZNWSVKO-DRZSPHRISA-N 1 3 292.387 -0.102 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC23CC(C[NH3+])(C2)C3)CC1=O ZINC001550119216 923689097 /nfs/dbraw/zinc/68/90/97/923689097.db2.gz RAHCWZQXFMVMJQ-VCANKDNSSA-N 1 3 294.399 -0.606 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC23CC(C[NH3+])(C2)C3)CC1=O ZINC001550119213 923689296 /nfs/dbraw/zinc/68/92/96/923689296.db2.gz RAHCWZQXFMVMJQ-QGLTVNCISA-N 1 3 294.399 -0.606 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)CC3CC3)C[C@@H]2[NH3+])cn1 ZINC001550188634 923706274 /nfs/dbraw/zinc/70/62/74/923706274.db2.gz ZMJVBARSWBWBKQ-AVGNSLFASA-N 1 3 277.372 -0.199 20 0 CBADHO CC[NH2+]CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550197661 923709179 /nfs/dbraw/zinc/70/91/79/923709179.db2.gz LYKSJECWMSVVPK-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202490 923709225 /nfs/dbraw/zinc/70/92/25/923709225.db2.gz OBJDINCAMWPXKJ-GFCCVEGCSA-N 1 3 296.415 -0.086 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550195740 923709501 /nfs/dbraw/zinc/70/95/01/923709501.db2.gz VNNGKLGNIHJJBI-QWHCGFSZSA-N 1 3 263.341 -0.209 20 0 CBADHO [NH3+]C[C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC001550440058 923730635 /nfs/dbraw/zinc/73/06/35/923730635.db2.gz UQTGUWOCMPCBJH-VXGBXAGGSA-N 1 3 288.417 -0.803 20 0 CBADHO N[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC[C@@H]1F ZINC001551572852 923803694 /nfs/dbraw/zinc/80/36/94/923803694.db2.gz DFYPQXUTYVXCDN-XIYHTJDTSA-N 1 3 256.325 -0.053 20 0 CBADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H]1CNCCO1)CC2 ZINC001551573258 923803714 /nfs/dbraw/zinc/80/37/14/923803714.db2.gz WGHDIMHGDAQWDC-CBKZZEEASA-N 1 3 282.388 -0.066 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551586864 923805705 /nfs/dbraw/zinc/80/57/05/923805705.db2.gz ITIZFKMOIVAEII-ATWGWHJKSA-N 1 3 282.388 -0.114 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCN1 ZINC001552164487 923844446 /nfs/dbraw/zinc/84/44/46/923844446.db2.gz WGHCRMOMAOQJKQ-NEPJUHHUSA-N 1 3 255.362 -0.321 20 0 CBADHO O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCN2CCC[C@@H]2C1 ZINC001552177200 923845991 /nfs/dbraw/zinc/84/59/91/923845991.db2.gz CQBIQSWGRWSMLP-VXGBXAGGSA-N 1 3 290.371 -0.267 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200992 923857946 /nfs/dbraw/zinc/85/79/46/923857946.db2.gz YPBFQYQNAMEOLA-WZRBSPASSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1 ZINC001552203095 923862667 /nfs/dbraw/zinc/86/26/67/923862667.db2.gz VRHGNPRFXRSGIC-OBJOEFQTSA-N 1 3 267.373 -0.321 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212616 923868575 /nfs/dbraw/zinc/86/85/75/923868575.db2.gz AUYDNDDZMMMABN-QJPTWQEYSA-N 1 3 280.372 -0.854 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[C@H]1F ZINC001552216307 923871113 /nfs/dbraw/zinc/87/11/13/923871113.db2.gz PVKNSCRXJPQFST-IVZWLZJFSA-N 1 3 282.323 -0.676 20 0 CBADHO Cc1c(C(=O)NC2CCN(C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552433040 923904696 /nfs/dbraw/zinc/90/46/96/923904696.db2.gz ZNNGBOORSAWKEN-LBPRGKRZSA-N 1 3 292.387 -0.055 20 0 CBADHO N[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@@H]1F ZINC001552440463 923910242 /nfs/dbraw/zinc/91/02/42/923910242.db2.gz VJTNQYSNAMUDFR-QWRGUYRKSA-N 1 3 296.350 -0.286 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)CCN2C1=O ZINC001552842675 923919489 /nfs/dbraw/zinc/91/94/89/923919489.db2.gz AIRMOCPDJIEHDC-RTWAVKEYSA-N 1 3 292.383 -0.711 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCCN(CCO)C2)C1 ZINC001552979472 923932071 /nfs/dbraw/zinc/93/20/71/923932071.db2.gz ZGKATOJSHMSWRI-AWEZNQCLSA-N 1 3 298.431 -0.947 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCCN(CCO)C2)C1 ZINC001552979472 923932084 /nfs/dbraw/zinc/93/20/84/923932084.db2.gz ZGKATOJSHMSWRI-AWEZNQCLSA-N 1 3 298.431 -0.947 20 0 CBADHO CN1CCn2ncc(CN[C@H]3C[NH2+]CCOC3)c2C1 ZINC001553026559 923934196 /nfs/dbraw/zinc/93/41/96/923934196.db2.gz YXZQQRQEGDBMIP-LBPRGKRZSA-N 1 3 265.361 -0.594 20 0 CBADHO CN1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@H]2C[C@H]1CO ZINC001553429561 923995656 /nfs/dbraw/zinc/99/56/56/923995656.db2.gz RARBCKGWHWBMRG-ORWNZLQRSA-N 1 3 295.383 -0.971 20 0 CBADHO CN1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C[C@H]2C[C@H]1CO ZINC001553429562 923995934 /nfs/dbraw/zinc/99/59/34/923995934.db2.gz RARBCKGWHWBMRG-QUGYJXMDSA-N 1 3 295.383 -0.971 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553494282 924010511 /nfs/dbraw/zinc/01/05/11/924010511.db2.gz DXEOZTGXVKTVJD-AGIUHOORSA-N 1 3 284.404 -0.178 20 0 CBADHO C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553497925 924012976 /nfs/dbraw/zinc/01/29/76/924012976.db2.gz RAMUJKXGEDHQQN-GRYCIOLGSA-N 1 3 270.377 -0.426 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553499088 924013435 /nfs/dbraw/zinc/01/34/35/924013435.db2.gz YENKTIIHVSXNNC-HZSPNIEDSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553501158 924014063 /nfs/dbraw/zinc/01/40/63/924014063.db2.gz GEEXXHDFQVCJCR-AGIUHOORSA-N 1 3 282.388 -0.384 20 0 CBADHO [NH3+][C@H]1CN(C(=O)NC[C@H]2CNCCO2)CC12CCC2 ZINC001553500800 924014509 /nfs/dbraw/zinc/01/45/09/924014509.db2.gz DWOHQBBVOBWRFF-MNOVXSKESA-N 1 3 268.361 -0.502 20 0 CBADHO [NH3+]C1CC(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553513003 924018602 /nfs/dbraw/zinc/01/86/02/924018602.db2.gz KTQXBTRUCFIQBM-HOAMVYINSA-N 1 3 296.415 -0.036 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553510565 924019204 /nfs/dbraw/zinc/01/92/04/924019204.db2.gz QNVRVKACHWPFPS-YNEHKIRRSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553517619 924022488 /nfs/dbraw/zinc/02/24/88/924022488.db2.gz MMNXDVNNEQHWGZ-XUXIUFHCSA-N 1 3 296.415 -0.023 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444257108 282103424 /nfs/dbraw/zinc/10/34/24/282103424.db2.gz BNEAXVJKQFBUMF-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000337710185 282142768 /nfs/dbraw/zinc/14/27/68/282142768.db2.gz BEOHJOMJRVQVSE-SMDDNHRTSA-N 1 3 284.404 -0.165 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423235470 282182778 /nfs/dbraw/zinc/18/27/78/282182778.db2.gz NBWJNCJOOYGQMM-VXGBXAGGSA-N 1 3 282.388 -0.511 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887922 282182809 /nfs/dbraw/zinc/18/28/09/282182809.db2.gz JSMLUWPRCQNNQW-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[NH+](C)C ZINC000126209987 187224554 /nfs/dbraw/zinc/22/45/54/187224554.db2.gz YQEPXUNBZCIBFY-ONGXEEELSA-N 1 3 258.366 -0.848 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419124227 290664495 /nfs/dbraw/zinc/66/44/95/290664495.db2.gz QTQCUNXJTHLFSE-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)N3CCOCC3)C[C@H]12 ZINC000351488848 219104729 /nfs/dbraw/zinc/10/47/29/219104729.db2.gz GJYGDDVSUBDSJN-FRRDWIJNSA-N 1 3 267.373 -0.096 20 0 CBADHO CCN1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351557938 219124923 /nfs/dbraw/zinc/12/49/23/219124923.db2.gz QMDKPSTVTPVRNU-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351561545 219126578 /nfs/dbraw/zinc/12/65/78/219126578.db2.gz YYMLBDXWDKHBEI-RAIGVLPGSA-N 1 3 294.399 -0.547 20 0 CBADHO CN(CCC(=O)N1CCN(C)CC1)C1CC([NH3+])C1 ZINC000420344817 282398048 /nfs/dbraw/zinc/39/80/48/282398048.db2.gz YLSRBYVBBYJQQE-UHFFFAOYSA-N 1 3 254.378 -0.428 20 0 CBADHO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@H](O)CN ZINC000420349675 282398959 /nfs/dbraw/zinc/39/89/59/282398959.db2.gz DOXGKIARKMIURL-GFCCVEGCSA-N 1 3 294.355 -0.024 20 0 CBADHO C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@H](O)CN ZINC000420349675 282398961 /nfs/dbraw/zinc/39/89/61/282398961.db2.gz DOXGKIARKMIURL-GFCCVEGCSA-N 1 3 294.355 -0.024 20 0 CBADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649911 219162777 /nfs/dbraw/zinc/16/27/77/219162777.db2.gz NLOJBPPUHTYBMK-CYBMUJFWSA-N 1 3 272.389 -0.085 20 0 CBADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649911 219162779 /nfs/dbraw/zinc/16/27/79/219162779.db2.gz NLOJBPPUHTYBMK-CYBMUJFWSA-N 1 3 272.389 -0.085 20 0 CBADHO CCN1CCC(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000040636787 351417964 /nfs/dbraw/zinc/41/79/64/351417964.db2.gz UNKYABUAOMZHEE-NWDGAFQWSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC000070074105 351634661 /nfs/dbraw/zinc/63/46/61/351634661.db2.gz OVHUPCBPSRTZPZ-GFCCVEGCSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073643578 351655226 /nfs/dbraw/zinc/65/52/26/351655226.db2.gz NLAKXSPSJZXOCM-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073643574 351655335 /nfs/dbraw/zinc/65/53/35/351655335.db2.gz NLAKXSPSJZXOCM-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000092137576 351748658 /nfs/dbraw/zinc/74/86/58/351748658.db2.gz ORVOPKSZSDOTDX-TUAOUCFPSA-N 1 3 255.362 -0.179 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094571535 351763971 /nfs/dbraw/zinc/76/39/71/351763971.db2.gz LPMCFFCXVUVLHC-MNOVXSKESA-N 1 3 259.350 -0.813 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCCN(CC)CC ZINC000115987256 351821696 /nfs/dbraw/zinc/82/16/96/351821696.db2.gz JLNRONKDXUITOB-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000119366994 351832778 /nfs/dbraw/zinc/83/27/78/351832778.db2.gz XFQQLTOJLXGDLE-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000119366994 351832779 /nfs/dbraw/zinc/83/27/79/351832779.db2.gz XFQQLTOJLXGDLE-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]1CN(CCC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122807924 351853829 /nfs/dbraw/zinc/85/38/29/351853829.db2.gz VGMDWMVLHGDFNZ-ZJUUUORDSA-N 1 3 256.350 -0.109 20 0 CBADHO CC(C(=O)NC[C@]1(C)CCC[NH2+]C1)S(C)(=O)=O ZINC000125642411 351857878 /nfs/dbraw/zinc/85/78/78/351857878.db2.gz BJAJYYBPMHCYIQ-GXSJLCMTSA-N 1 3 262.375 -0.075 20 0 CBADHO C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000120663743 351842636 /nfs/dbraw/zinc/84/26/36/351842636.db2.gz PPAHFADLJADVDX-NSHDSACASA-N 1 3 270.377 -0.926 20 0 CBADHO CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000130465618 351879197 /nfs/dbraw/zinc/87/91/97/351879197.db2.gz NJDNTHZRFCBZCO-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(C)CC[NH+]1CCC(CNC(=O)CN(C)C)CC1 ZINC000129617516 351873073 /nfs/dbraw/zinc/87/30/73/351873073.db2.gz GRBWSNNUXXPKQT-UHFFFAOYSA-N 1 3 270.421 -0.062 20 0 CBADHO CN(C)CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000129617516 351873076 /nfs/dbraw/zinc/87/30/76/351873076.db2.gz GRBWSNNUXXPKQT-UHFFFAOYSA-N 1 3 270.421 -0.062 20 0 CBADHO CC[NH2+]CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000129973847 351876157 /nfs/dbraw/zinc/87/61/57/351876157.db2.gz SOBFBQOVRPRXGZ-UHFFFAOYSA-N 1 3 294.399 -0.095 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](CN)C1 ZINC000136809167 351920924 /nfs/dbraw/zinc/92/09/24/351920924.db2.gz ATMZFJLGBBTDHT-NEPJUHHUSA-N 1 3 266.389 -0.523 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000152755573 351940121 /nfs/dbraw/zinc/94/01/21/351940121.db2.gz VJOIJVLVHIQBEQ-NEPJUHHUSA-N 1 3 255.362 -0.129 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)NCCN(C)C ZINC000133753751 351900870 /nfs/dbraw/zinc/90/08/70/351900870.db2.gz ZUOMPNYIMPXUNW-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)NCCN(C)C ZINC000133753751 351900872 /nfs/dbraw/zinc/90/08/72/351900872.db2.gz ZUOMPNYIMPXUNW-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[NH2+]C2CC2)CC1 ZINC000154679448 351946878 /nfs/dbraw/zinc/94/68/78/351946878.db2.gz XRRJOFRQGVYNGW-LBPRGKRZSA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848336 352030752 /nfs/dbraw/zinc/03/07/52/352030752.db2.gz XRRXUZGMWKXNNA-NWDGAFQWSA-N 1 3 294.399 -0.002 20 0 CBADHO C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848336 352030755 /nfs/dbraw/zinc/03/07/55/352030755.db2.gz XRRXUZGMWKXNNA-NWDGAFQWSA-N 1 3 294.399 -0.002 20 0 CBADHO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848331 352031559 /nfs/dbraw/zinc/03/15/59/352031559.db2.gz XRRXUZGMWKXNNA-VXGBXAGGSA-N 1 3 294.399 -0.002 20 0 CBADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848331 352031562 /nfs/dbraw/zinc/03/15/62/352031562.db2.gz XRRXUZGMWKXNNA-VXGBXAGGSA-N 1 3 294.399 -0.002 20 0 CBADHO O=C1NCC[C@H]1[NH+]1CCC(CN2CCOCC2)CC1 ZINC000178190838 352077485 /nfs/dbraw/zinc/07/74/85/352077485.db2.gz CKGRASZAZKTRGG-CYBMUJFWSA-N 1 3 267.373 -0.081 20 0 CBADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000179091794 352087934 /nfs/dbraw/zinc/08/79/34/352087934.db2.gz XGDXEHYRZPOXRK-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000179194567 352088104 /nfs/dbraw/zinc/08/81/04/352088104.db2.gz QRWNPIOAFGSIBC-WDEREUQCSA-N 1 3 270.377 -0.798 20 0 CBADHO CCN1CCN(CCC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000179196389 352088767 /nfs/dbraw/zinc/08/87/67/352088767.db2.gz YVYCHFNKRHQFFE-LBPRGKRZSA-N 1 3 256.394 -0.180 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@H](F)CN1 ZINC000188181468 352148600 /nfs/dbraw/zinc/14/86/00/352148600.db2.gz YFQPHJIKBXIRHI-WDEREUQCSA-N 1 3 258.341 -0.902 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219035949 352236763 /nfs/dbraw/zinc/23/67/63/352236763.db2.gz PJTLRAZBLGZQDK-AAEUAGOBSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219035949 352236767 /nfs/dbraw/zinc/23/67/67/352236767.db2.gz PJTLRAZBLGZQDK-AAEUAGOBSA-N 1 3 286.420 -0.068 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000193376330 352204313 /nfs/dbraw/zinc/20/43/13/352204313.db2.gz NFKJJJYSYDBCQI-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1C[C@@H]2C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC000194539145 352216726 /nfs/dbraw/zinc/21/67/26/352216726.db2.gz YYBRTUXVNPTPCX-PHIMTYICSA-N 1 3 278.356 -0.923 20 0 CBADHO CN1C[C@@H]2C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC000194539145 352216727 /nfs/dbraw/zinc/21/67/27/352216727.db2.gz YYBRTUXVNPTPCX-PHIMTYICSA-N 1 3 278.356 -0.923 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000195236715 352223703 /nfs/dbraw/zinc/22/37/03/352223703.db2.gz ANZSVYKJLVMHCW-RWMBFGLXSA-N 1 3 294.399 -0.926 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227237 352223997 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ZINC000234253961 352281719 /nfs/dbraw/zinc/28/17/19/352281719.db2.gz QUOCAGVNYQBQIC-LBPRGKRZSA-N 1 3 256.350 -0.588 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236643408 352292127 /nfs/dbraw/zinc/29/21/27/352292127.db2.gz PHODEMCPXAPTKI-STQMWFEESA-N 1 3 298.431 -0.114 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)CCC[NH3+])CC1 ZINC000236838151 352294852 /nfs/dbraw/zinc/29/48/52/352294852.db2.gz LIAKXXZDCRVEHC-UHFFFAOYSA-N 1 3 284.404 -0.262 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000236838190 352295228 /nfs/dbraw/zinc/29/52/28/352295228.db2.gz IEVLYOAPQKWYBV-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236888617 352296244 /nfs/dbraw/zinc/29/62/44/352296244.db2.gz SGFZJSXQRVRXEW-QWHCGFSZSA-N 1 3 268.405 -0.119 20 0 CBADHO CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236936372 352296849 /nfs/dbraw/zinc/29/68/49/352296849.db2.gz ABNVNHOPSHLSTF-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC1=O ZINC000237161210 352300396 /nfs/dbraw/zinc/30/03/96/352300396.db2.gz AGMPSHYLEIJVEF-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC1=O ZINC000237162584 352300867 /nfs/dbraw/zinc/30/08/67/352300867.db2.gz GMLUSGLJPFQQAQ-IAQYHMDHSA-N 1 3 296.415 -0.360 20 0 CBADHO COCCNCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000237181947 352301617 /nfs/dbraw/zinc/30/16/17/352301617.db2.gz SMFJVUCNQNGTTH-UHFFFAOYSA-N 1 3 286.420 -0.635 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250369165 352372398 /nfs/dbraw/zinc/37/23/98/352372398.db2.gz VISVJCYAWHDIRU-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250369165 352372400 /nfs/dbraw/zinc/37/24/00/352372400.db2.gz VISVJCYAWHDIRU-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000250521529 352373372 /nfs/dbraw/zinc/37/33/72/352373372.db2.gz LITFGCKVBFJIQI-RWMBFGLXSA-N 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CN(CC[N@H+](C)C1CCN(C)CC1)CC1(CO)COC1 ZINC000305617908 352748868 /nfs/dbraw/zinc/74/88/68/352748868.db2.gz FMTYDGIFNWBNJO-UHFFFAOYSA-N 1 3 285.432 -0.047 20 0 CBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC1(CO)COC1 ZINC000305617908 352748872 /nfs/dbraw/zinc/74/88/72/352748872.db2.gz FMTYDGIFNWBNJO-UHFFFAOYSA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312734051 352776106 /nfs/dbraw/zinc/77/61/06/352776106.db2.gz TUJWTDRZRYZOOB-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312734051 352776108 /nfs/dbraw/zinc/77/61/08/352776108.db2.gz TUJWTDRZRYZOOB-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO CC(C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)S(C)(=O)=O ZINC000310094924 352757240 /nfs/dbraw/zinc/75/72/40/352757240.db2.gz ULWNRHWRSDEACP-FXPVBKGRSA-N 1 3 262.375 -0.137 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000311104517 352765796 /nfs/dbraw/zinc/76/57/96/352765796.db2.gz SUNIFRQUPFMXSX-NEPJUHHUSA-N 1 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ZINC000332218787 352940515 /nfs/dbraw/zinc/94/05/15/352940515.db2.gz IOHPBSNGTREBFQ-UTUOFQBUSA-N 1 3 280.372 -0.901 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000332259178 352941475 /nfs/dbraw/zinc/94/14/75/352941475.db2.gz ALCKEIIBPHADGL-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1[NH3+] ZINC000332357071 352946481 /nfs/dbraw/zinc/94/64/81/352946481.db2.gz WVHONLJPHSOCAB-VXGBXAGGSA-N 1 3 282.388 -0.654 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332570444 352966697 /nfs/dbraw/zinc/96/66/97/352966697.db2.gz CMFFHOOEMIJCTE-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H]1C ZINC000333490471 353001556 /nfs/dbraw/zinc/00/15/56/353001556.db2.gz DFEMGRQAMUUCNL-SDDRHHMPSA-N 1 3 270.377 -0.243 20 0 CBADHO CN(C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336823713 353060334 /nfs/dbraw/zinc/06/03/34/353060334.db2.gz QXXVECNOCQFJCV-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CN(C[C@H](O)CN1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336823713 353060336 /nfs/dbraw/zinc/06/03/36/353060336.db2.gz QXXVECNOCQFJCV-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[NH+]1CCCC1 ZINC000336826189 353061003 /nfs/dbraw/zinc/06/10/03/353061003.db2.gz JMWVAJCXIZZXES-CYBMUJFWSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[NH+](CC)CCCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336826711 353061426 /nfs/dbraw/zinc/06/14/26/353061426.db2.gz UASQXXIWWOMMOE-CYBMUJFWSA-N 1 3 286.420 -0.066 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H](C)[NH+](C)C ZINC000336736561 353050849 /nfs/dbraw/zinc/05/08/49/353050849.db2.gz YQEPXUNBZCIBFY-GXSJLCMTSA-N 1 3 258.366 -0.848 20 0 CBADHO C[C@H]([NH3+])CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000340185250 353155002 /nfs/dbraw/zinc/15/50/02/353155002.db2.gz JTDXMVVMVCYYHJ-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000342765445 353232238 /nfs/dbraw/zinc/23/22/38/353232238.db2.gz OJZPACZCIJZMMJ-UTUOFQBUSA-N 1 3 283.372 -0.038 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000342765445 353232240 /nfs/dbraw/zinc/23/22/40/353232240.db2.gz OJZPACZCIJZMMJ-UTUOFQBUSA-N 1 3 283.372 -0.038 20 0 CBADHO CCN1CCC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342687580 353227322 /nfs/dbraw/zinc/22/73/22/353227322.db2.gz BKROSHQZWSXRSX-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000342689276 353228411 /nfs/dbraw/zinc/22/84/11/353228411.db2.gz DGMOZFIJHUYKEL-VIFPVBQESA-N 1 3 259.350 -0.277 20 0 CBADHO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CN2CCN1CCC2 ZINC000343199418 353259260 /nfs/dbraw/zinc/25/92/60/353259260.db2.gz BBTHONJFQQLGRM-AWEZNQCLSA-N 1 3 289.383 -0.579 20 0 CBADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343316631 353266724 /nfs/dbraw/zinc/26/67/24/353266724.db2.gz FUIGOOYDJMHJCX-CYBMUJFWSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343316631 353266726 /nfs/dbraw/zinc/26/67/26/353266726.db2.gz FUIGOOYDJMHJCX-CYBMUJFWSA-N 1 3 268.405 -0.167 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343324075 353268129 /nfs/dbraw/zinc/26/81/29/353268129.db2.gz PMJCIDPVVBPRDR-JSGCOSHPSA-N 1 3 278.400 -0.271 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343324075 353268131 /nfs/dbraw/zinc/26/81/31/353268131.db2.gz PMJCIDPVVBPRDR-JSGCOSHPSA-N 1 3 278.400 -0.271 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419999777 295860349 /nfs/dbraw/zinc/86/03/49/295860349.db2.gz SMAZCOWJZLKNNU-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000346227798 353367198 /nfs/dbraw/zinc/36/71/98/353367198.db2.gz QSMCKZONDSNIDT-VXGBXAGGSA-N 1 3 254.378 -0.557 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000345717507 353345087 /nfs/dbraw/zinc/34/50/87/353345087.db2.gz OERAOVVMZLLBQB-IUCAKERBSA-N 1 3 265.304 -0.194 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536698 353382241 /nfs/dbraw/zinc/38/22/41/353382241.db2.gz TXOOOBMLRVRDBN-YPMHNXCESA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CCOC2CNC2)CC[N@@H+]1C ZINC000348988509 353443219 /nfs/dbraw/zinc/44/32/19/353443219.db2.gz HXODRRVWEKSSTK-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CCOC2CNC2)CC[N@H+]1C ZINC000348988509 353443220 /nfs/dbraw/zinc/44/32/20/353443220.db2.gz HXODRRVWEKSSTK-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CCOC1C[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000349047566 353446405 /nfs/dbraw/zinc/44/64/05/353446405.db2.gz HAWFEIUGRSGMKY-SNVBAGLBSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(CCOC1C[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000349047565 353446512 /nfs/dbraw/zinc/44/65/12/353446512.db2.gz HAWFEIUGRSGMKY-JTQLQIEISA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@H](CO)N1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351630070 353476500 /nfs/dbraw/zinc/47/65/00/353476500.db2.gz QVCDQKZTOCZTPT-HIFRSBDPSA-N 1 3 285.432 -0.170 20 0 CBADHO C[C@H](CO)N1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351630070 353476502 /nfs/dbraw/zinc/47/65/02/353476502.db2.gz QVCDQKZTOCZTPT-HIFRSBDPSA-N 1 3 285.432 -0.170 20 0 CBADHO CN1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354669545 353577093 /nfs/dbraw/zinc/57/70/93/353577093.db2.gz IIAMQWRLEQJDOK-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354710502 353579462 /nfs/dbraw/zinc/57/94/62/353579462.db2.gz OGVSWROBXIDVBR-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@H]1NCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@@H]1C ZINC000375383581 353759220 /nfs/dbraw/zinc/75/92/20/353759220.db2.gz CXYBGWLAYRWMRU-OXHZDVMGSA-N 1 3 291.399 -0.068 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000375833457 353768097 /nfs/dbraw/zinc/76/80/97/353768097.db2.gz ICYKSWDUGIZZHD-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000375833456 353768579 /nfs/dbraw/zinc/76/85/79/353768579.db2.gz ICYKSWDUGIZZHD-QWHCGFSZSA-N 1 3 268.405 -0.180 20 0 CBADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000375953934 353769650 /nfs/dbraw/zinc/76/96/50/353769650.db2.gz LROBAQDEHGQHBX-YUTCNCBUSA-N 1 3 275.352 -0.288 20 0 CBADHO CO[C@]1(CNC[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400639 353784156 /nfs/dbraw/zinc/78/41/56/353784156.db2.gz WLMKXOKMXBVQPS-OLZOCXBDSA-N 1 3 258.362 -0.163 20 0 CBADHO CO[C@]1(CNC[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400639 353784157 /nfs/dbraw/zinc/78/41/57/353784157.db2.gz WLMKXOKMXBVQPS-OLZOCXBDSA-N 1 3 258.362 -0.163 20 0 CBADHO CN1CCN(C)[C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000388525297 353789657 /nfs/dbraw/zinc/78/96/57/353789657.db2.gz VMQJDUSPRGHYBQ-ZIAGYGMSSA-N 1 3 270.421 -0.723 20 0 CBADHO CN1CCN(C)[C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388525297 353789662 /nfs/dbraw/zinc/78/96/62/353789662.db2.gz VMQJDUSPRGHYBQ-ZIAGYGMSSA-N 1 3 270.421 -0.723 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CN(C)CCN1C)C1CC1 ZINC000388525297 353789666 /nfs/dbraw/zinc/78/96/66/353789666.db2.gz VMQJDUSPRGHYBQ-ZIAGYGMSSA-N 1 3 270.421 -0.723 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000388891488 353790455 /nfs/dbraw/zinc/79/04/55/353790455.db2.gz FWFWMVPSIDCIQY-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000388891488 353790458 /nfs/dbraw/zinc/79/04/58/353790458.db2.gz FWFWMVPSIDCIQY-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000418418316 353996880 /nfs/dbraw/zinc/99/68/80/353996880.db2.gz WEPLRJVFXXRALB-SDDRHHMPSA-N 1 3 270.377 -0.209 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417442908 353977568 /nfs/dbraw/zinc/97/75/68/353977568.db2.gz WONWVULAMULHEQ-QWHCGFSZSA-N 1 3 284.404 -0.185 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417442174 353977637 /nfs/dbraw/zinc/97/76/37/353977637.db2.gz SPKYERWKECOAFD-RYUDHWBXSA-N 1 3 272.393 -0.138 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417698946 353981337 /nfs/dbraw/zinc/98/13/37/353981337.db2.gz FJTARZOMMCDWDS-RYUDHWBXSA-N 1 3 270.377 -0.256 20 0 CBADHO COCCN(CCN(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418410491 353997315 /nfs/dbraw/zinc/99/73/15/353997315.db2.gz COLKMLDXFLWISK-UHFFFAOYSA-N 1 3 260.382 -0.057 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417837068 353984023 /nfs/dbraw/zinc/98/40/23/353984023.db2.gz PMHZNIATJFDRSW-YPMHNXCESA-N 1 3 284.404 -0.280 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCCN1C ZINC000418003881 353986125 /nfs/dbraw/zinc/98/61/25/353986125.db2.gz NLZLGGOJOBLHDO-STQMWFEESA-N 1 3 283.420 -0.327 20 0 CBADHO C[C@H]1[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCN1C ZINC000418002227 353986394 /nfs/dbraw/zinc/98/63/94/353986394.db2.gz MCMWVOVQRZRUAQ-HHHUOAJASA-N 1 3 252.362 -0.014 20 0 CBADHO C[C@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCCN1C ZINC000418003880 353986735 /nfs/dbraw/zinc/98/67/35/353986735.db2.gz NLZLGGOJOBLHDO-QWHCGFSZSA-N 1 3 283.420 -0.327 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)NCCOCCN(C)C ZINC000418063618 353987229 /nfs/dbraw/zinc/98/72/29/353987229.db2.gz HEXVRWKVXZRFPI-LLVKDONJSA-N 1 3 260.382 -0.153 20 0 CBADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000418072310 353987288 /nfs/dbraw/zinc/98/72/88/353987288.db2.gz VCOSOHNQMUMMCO-SNVBAGLBSA-N 1 3 294.346 -0.139 20 0 CBADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000418072309 353987845 /nfs/dbraw/zinc/98/78/45/353987845.db2.gz VCOSOHNQMUMMCO-JTQLQIEISA-N 1 3 294.346 -0.139 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418286189 353989942 /nfs/dbraw/zinc/98/99/42/353989942.db2.gz HHZYZRYYYRJMJV-QWHCGFSZSA-N 1 3 283.420 -0.327 20 0 CBADHO [NH3+]CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418298585 353991829 /nfs/dbraw/zinc/99/18/29/353991829.db2.gz QERWFTHVCPIFOU-UHFFFAOYSA-N 1 3 285.392 -0.764 20 0 CBADHO CC[NH2+]CCNC(=O)N[C@H]1CNCCC1(F)F ZINC000418320210 353992914 /nfs/dbraw/zinc/99/29/14/353992914.db2.gz UCPHPRUUBZRPJE-QMMMGPOBSA-N 1 3 250.293 -0.108 20 0 CBADHO CC[NH2+]CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418320211 353993001 /nfs/dbraw/zinc/99/30/01/353993001.db2.gz UCRMONADWUVQNS-CYBMUJFWSA-N 1 3 286.420 -0.012 20 0 CBADHO CC[NH2+]CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418321242 353993902 /nfs/dbraw/zinc/99/39/02/353993902.db2.gz YCXAVPCSYROYQY-LBPRGKRZSA-N 1 3 272.393 -0.258 20 0 CBADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CCC[NH2+]C1 ZINC000418379890 353995617 /nfs/dbraw/zinc/99/56/17/353995617.db2.gz JJTNCANVQJSSME-CHWSQXEVSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NCCNc1ccncc1)N[C@H]1CCC[NH2+]C1 ZINC000418387306 353995651 /nfs/dbraw/zinc/99/56/51/353995651.db2.gz SYSODURJFNCDIL-LBPRGKRZSA-N 1 3 263.345 -0.033 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000418378008 353995740 /nfs/dbraw/zinc/99/57/40/353995740.db2.gz ZXZAAIVLIADBMZ-YNEHKIRRSA-N 1 3 286.420 -0.062 20 0 CBADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CCC[NH2+]C1 ZINC000418379893 353995830 /nfs/dbraw/zinc/99/58/30/353995830.db2.gz JJTNCANVQJSSME-QWHCGFSZSA-N 1 3 284.404 -0.116 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000418418317 353996469 /nfs/dbraw/zinc/99/64/69/353996469.db2.gz WEPLRJVFXXRALB-SRVKXCTJSA-N 1 3 270.377 -0.209 20 0 CBADHO CCN(CC)CC(=O)N1CCN(CCC[NH3+])CC1 ZINC000414691226 353963400 /nfs/dbraw/zinc/96/34/00/353963400.db2.gz JISJMQXHTDJHLB-UHFFFAOYSA-N 1 3 256.394 -0.179 20 0 CBADHO C[C@@H]1C[C@H](CN(C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651140 353963491 /nfs/dbraw/zinc/96/34/91/353963491.db2.gz FFELTSQBZFVGDT-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000418442356 353998114 /nfs/dbraw/zinc/99/81/14/353998114.db2.gz DPKFQJRGOXSREK-UONOGXRCSA-N 1 3 291.399 -0.111 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000418470016 353998366 /nfs/dbraw/zinc/99/83/66/353998366.db2.gz QFZSHVYKFSADPJ-YPMHNXCESA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418495367 353999283 /nfs/dbraw/zinc/99/92/83/353999283.db2.gz UMKFIMOUBAPHFY-RYUDHWBXSA-N 1 3 272.393 -0.273 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418490082 353999479 /nfs/dbraw/zinc/99/94/79/353999479.db2.gz MROUMBKYBNQVKL-STQMWFEESA-N 1 3 286.420 -0.027 20 0 CBADHO COCC[NH2+]CCNC(=O)NCCNc1ccncc1 ZINC000418508818 354000608 /nfs/dbraw/zinc/00/06/08/354000608.db2.gz NGWHRIQFPXZQCB-UHFFFAOYSA-N 1 3 281.360 -0.549 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418513670 354001357 /nfs/dbraw/zinc/00/13/57/354001357.db2.gz VFEATGTXZFDSFP-VXGBXAGGSA-N 1 3 272.393 -0.009 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCCCN1CCO ZINC000418514536 354001525 /nfs/dbraw/zinc/00/15/25/354001525.db2.gz ARJSOQZLYBWCDG-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO COCC[NH2+]CCNC(=O)N(C)CCN1CCCC1 ZINC000418550221 354002382 /nfs/dbraw/zinc/00/23/82/354002382.db2.gz LISWDLLUKSJIJX-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418562886 354002942 /nfs/dbraw/zinc/00/29/42/354002942.db2.gz HABXQVJNNISJKM-LBPRGKRZSA-N 1 3 299.419 -0.471 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418732227 354006194 /nfs/dbraw/zinc/00/61/94/354006194.db2.gz QNMVVBPTVSQDLR-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000418769573 354007974 /nfs/dbraw/zinc/00/79/74/354007974.db2.gz PXPYXOHESCUDPK-WOPDTQHZSA-N 1 3 270.377 -0.256 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418828946 354010668 /nfs/dbraw/zinc/01/06/68/354010668.db2.gz IKWAYCARFROOGL-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418838990 354011711 /nfs/dbraw/zinc/01/17/11/354011711.db2.gz WFTSAIQFDKXSCC-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418846840 354012531 /nfs/dbraw/zinc/01/25/31/354012531.db2.gz ZGBAPZNBLUCGBS-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CN(C)[C@H](CNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418850395 354012743 /nfs/dbraw/zinc/01/27/43/354012743.db2.gz NUKVAJBFOXTVFG-ZDUSSCGKSA-N 1 3 292.383 -0.650 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418955463 354017279 /nfs/dbraw/zinc/01/72/79/354017279.db2.gz YFHYKWBURCOJAQ-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC1CC[NH+](CCCNC(=O)C(=O)NCCN)CC1 ZINC000419010447 354023040 /nfs/dbraw/zinc/02/30/40/354023040.db2.gz YPCVBTYADSAWPX-UHFFFAOYSA-N 1 3 270.377 -0.701 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCN)C1 ZINC000419027966 354025256 /nfs/dbraw/zinc/02/52/56/354025256.db2.gz PLEBCMREQYVFOU-TXEJJXNPSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN)C1 ZINC000419027966 354025258 /nfs/dbraw/zinc/02/52/58/354025258.db2.gz PLEBCMREQYVFOU-TXEJJXNPSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000419111745 354028238 /nfs/dbraw/zinc/02/82/38/354028238.db2.gz UNLUOZBAQYQGPN-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419109432 354028307 /nfs/dbraw/zinc/02/83/07/354028307.db2.gz RHYINENKLYATCI-ZYHUDNBSSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCN)CC(C)C ZINC000419126954 354029460 /nfs/dbraw/zinc/02/94/60/354029460.db2.gz OPOINORRJPDGHO-GFCCVEGCSA-N 1 3 286.420 -0.066 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419120466 354029691 /nfs/dbraw/zinc/02/96/91/354029691.db2.gz LIFCMRHAYHSFLY-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000419113956 354029790 /nfs/dbraw/zinc/02/97/90/354029790.db2.gz WVBZXCOFSYQWGO-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419135839 354030294 /nfs/dbraw/zinc/03/02/94/354030294.db2.gz NURFGLWWUMUJQY-NSHDSACASA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419144585 354031754 /nfs/dbraw/zinc/03/17/54/354031754.db2.gz FVCUFBFHFUATRJ-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419166225 354034823 /nfs/dbraw/zinc/03/48/23/354034823.db2.gz HIKPAVICZZERON-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419172456 354035447 /nfs/dbraw/zinc/03/54/47/354035447.db2.gz QZVIXDQTAIWGHR-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419578552 354064126 /nfs/dbraw/zinc/06/41/26/354064126.db2.gz FCGZJWOQENOMPR-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419662950 354068233 /nfs/dbraw/zinc/06/82/33/354068233.db2.gz ISUYTUNDIAVHOJ-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO C[N@H+](CCNC(=O)C(=O)N1CCCNCC1)C1CCCC1 ZINC000419698116 354069802 /nfs/dbraw/zinc/06/98/02/354069802.db2.gz RYXSZHRRCRIRDJ-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO C[N@@H+](CCNC(=O)C(=O)N1CCCNCC1)C1CCCC1 ZINC000419698116 354069803 /nfs/dbraw/zinc/06/98/03/354069803.db2.gz RYXSZHRRCRIRDJ-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419697462 354070279 /nfs/dbraw/zinc/07/02/79/354070279.db2.gz QRVYOISSEHWVQX-RYUDHWBXSA-N 1 3 294.399 -0.402 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419693455 354070426 /nfs/dbraw/zinc/07/04/26/354070426.db2.gz IPKXCMPTEJHVFB-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419690805 354070575 /nfs/dbraw/zinc/07/05/75/354070575.db2.gz CROJIOGHAQVGSB-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419690805 354070576 /nfs/dbraw/zinc/07/05/76/354070576.db2.gz CROJIOGHAQVGSB-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419698562 354070951 /nfs/dbraw/zinc/07/09/51/354070951.db2.gz PUIBVYIDUDFUJA-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419718385 354072210 /nfs/dbraw/zinc/07/22/10/354072210.db2.gz ATVZDNUHNFQGIB-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419736724 354073850 /nfs/dbraw/zinc/07/38/50/354073850.db2.gz RTVGYWDJUJKIES-STQMWFEESA-N 1 3 296.415 -0.488 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419732367 354073882 /nfs/dbraw/zinc/07/38/82/354073882.db2.gz MJFJBCJZSNAEIO-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419739234 354073927 /nfs/dbraw/zinc/07/39/27/354073927.db2.gz VWROHAGBCYJNLL-TXEJJXNPSA-N 1 3 282.388 -0.878 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419733564 354073955 /nfs/dbraw/zinc/07/39/55/354073955.db2.gz NYJKBXIBAHIBSD-UHFFFAOYSA-N 1 3 258.366 -0.702 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419733520 354074039 /nfs/dbraw/zinc/07/40/39/354074039.db2.gz NUOMBJLSQXIFKF-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419772882 354077184 /nfs/dbraw/zinc/07/71/84/354077184.db2.gz ZJGQEVWZBGESAM-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839380 354083320 /nfs/dbraw/zinc/08/33/20/354083320.db2.gz HGXZCIOAUJPUAK-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419847749 354084678 /nfs/dbraw/zinc/08/46/78/354084678.db2.gz SEJNFHLDOPFSDE-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419860079 354086644 /nfs/dbraw/zinc/08/66/44/354086644.db2.gz KKCAWELPLWMTNB-ZDUSSCGKSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860412 354086662 /nfs/dbraw/zinc/08/66/62/354086662.db2.gz KRPYOZMWDMVQRC-RYUDHWBXSA-N 1 3 282.388 -0.560 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419881362 354088832 /nfs/dbraw/zinc/08/88/32/354088832.db2.gz WDZPAEURSVEUNH-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419287260 354044350 /nfs/dbraw/zinc/04/43/50/354044350.db2.gz PQVRAXUCCYMKRJ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419286914 354044567 /nfs/dbraw/zinc/04/45/67/354044567.db2.gz PAAQGPBTHOMGEE-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419287770 354044898 /nfs/dbraw/zinc/04/48/98/354044898.db2.gz QMOUAAWOQUODME-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419407255 354051007 /nfs/dbraw/zinc/05/10/07/354051007.db2.gz JYGMARUWOYNXPY-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419402691 354051083 /nfs/dbraw/zinc/05/10/83/354051083.db2.gz CVPGDRACMIKZSP-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403017 354051269 /nfs/dbraw/zinc/05/12/69/354051269.db2.gz CZICLSGIMZUWIH-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419402631 354051358 /nfs/dbraw/zinc/05/13/58/354051358.db2.gz COUUKCLBNNUMLE-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419403013 354051410 /nfs/dbraw/zinc/05/14/10/354051410.db2.gz CZCLNDPKKYNWTD-AAEUAGOBSA-N 1 3 296.415 -0.312 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419405970 354051585 /nfs/dbraw/zinc/05/15/85/354051585.db2.gz IGNOZBZRZHWRDK-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419408447 354052242 /nfs/dbraw/zinc/05/22/42/354052242.db2.gz LOMFVMBRSVINMG-WCQYABFASA-N 1 3 296.415 -0.312 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419411022 354052576 /nfs/dbraw/zinc/05/25/76/354052576.db2.gz PPIVLCZEIDDUID-UHFFFAOYSA-N 1 3 270.377 -0.830 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419408448 354052675 /nfs/dbraw/zinc/05/26/75/354052675.db2.gz LOMFVMBRSVINMG-YPMHNXCESA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419414708 354052709 /nfs/dbraw/zinc/05/27/09/354052709.db2.gz UHVHOPVOHVVDJF-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419410488 354052772 /nfs/dbraw/zinc/05/27/72/354052772.db2.gz OMPTZKXBPAXVOX-LLVKDONJSA-N 1 3 270.377 -0.748 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419417645 354053020 /nfs/dbraw/zinc/05/30/20/354053020.db2.gz XKDQVIPLMSBREC-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419417177 354053795 /nfs/dbraw/zinc/05/37/95/354053795.db2.gz WZGYEXWAIDQEFB-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419431646 354054714 /nfs/dbraw/zinc/05/47/14/354054714.db2.gz XMQCQOMMTOWXHV-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCN)C1 ZINC000419474094 354055888 /nfs/dbraw/zinc/05/58/88/354055888.db2.gz BMMMIESPCVYNIQ-STQMWFEESA-N 1 3 298.431 -0.064 20 0 CBADHO CCN(CCNC(=O)C(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000419521501 354057774 /nfs/dbraw/zinc/05/77/74/354057774.db2.gz JZMYRQWBHYMQTQ-UHFFFAOYSA-N 1 3 282.388 -0.416 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000419530288 354058448 /nfs/dbraw/zinc/05/84/48/354058448.db2.gz YUKSZGWZPOYHBW-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419525211 354058732 /nfs/dbraw/zinc/05/87/32/354058732.db2.gz RCOLJTGNDWEGJG-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N(C)CCN(C)C ZINC000419911221 354093432 /nfs/dbraw/zinc/09/34/32/354093432.db2.gz SFILDZAACKCDKN-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419912273 354093661 /nfs/dbraw/zinc/09/36/61/354093661.db2.gz WDCKDHHPUDHLBL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419961049 354097526 /nfs/dbraw/zinc/09/75/26/354097526.db2.gz SWNQKVUGBKXCLP-JHJVBQTASA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420018372 354102794 /nfs/dbraw/zinc/10/27/94/354102794.db2.gz XUUOQITVLQLBSH-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420018372 354102796 /nfs/dbraw/zinc/10/27/96/354102796.db2.gz XUUOQITVLQLBSH-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420034776 354104116 /nfs/dbraw/zinc/10/41/16/354104116.db2.gz JPJYHUGPNAQKCR-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420073836 354107054 /nfs/dbraw/zinc/10/70/54/354107054.db2.gz GUTPIYUFCQYMBO-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000420108594 354109476 /nfs/dbraw/zinc/10/94/76/354109476.db2.gz CRDTZNZHWKEUOA-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420124930 354110258 /nfs/dbraw/zinc/11/02/58/354110258.db2.gz SIWKCZYDTUFKTK-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO COC(=O)CN(C)C(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420301184 354121795 /nfs/dbraw/zinc/12/17/95/354121795.db2.gz ILWHHGUNCSTWDA-CYBMUJFWSA-N 1 3 273.377 -0.029 20 0 CBADHO COC(=O)CN(C)C(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000420290311 354121860 /nfs/dbraw/zinc/12/18/60/354121860.db2.gz LUVKXVWQVPKOCP-UHFFFAOYSA-N 1 3 273.377 -0.075 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+](C)CC(C)(C)CN ZINC000420290311 354121861 /nfs/dbraw/zinc/12/18/61/354121861.db2.gz LUVKXVWQVPKOCP-UHFFFAOYSA-N 1 3 273.377 -0.075 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000420290311 354121863 /nfs/dbraw/zinc/12/18/63/354121863.db2.gz LUVKXVWQVPKOCP-UHFFFAOYSA-N 1 3 273.377 -0.075 20 0 CBADHO CN(CCC(=O)N1CCN(C)CC1)C1(C[NH3+])CCC1 ZINC000420326106 354123231 /nfs/dbraw/zinc/12/32/31/354123231.db2.gz JIWAHIBKSSZOJB-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@H+](C)C2(CN)CCC2)CC1 ZINC000420326106 354123234 /nfs/dbraw/zinc/12/32/34/354123234.db2.gz JIWAHIBKSSZOJB-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+](C)C2(CN)CCC2)CC1 ZINC000420326106 354123236 /nfs/dbraw/zinc/12/32/36/354123236.db2.gz JIWAHIBKSSZOJB-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000423233866 354165460 /nfs/dbraw/zinc/16/54/60/354165460.db2.gz KPSCQFJNUFAYIW-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423324229 354167870 /nfs/dbraw/zinc/16/78/70/354167870.db2.gz KJAVYCCFQYNPBV-AWEZNQCLSA-N 1 3 287.404 -0.303 20 0 CBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423380400 354173222 /nfs/dbraw/zinc/17/32/22/354173222.db2.gz YREPTYHVGDDRIY-UHFFFAOYSA-N 1 3 296.371 -0.413 20 0 CBADHO COCC[NH2+]CCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422604483 354150168 /nfs/dbraw/zinc/15/01/68/354150168.db2.gz BYNDERDGYONTQE-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422972970 354158848 /nfs/dbraw/zinc/15/88/48/354158848.db2.gz NGGHTXUTYKNGRG-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423062429 354161316 /nfs/dbraw/zinc/16/13/16/354161316.db2.gz NAOCKQJSNMVOHW-GFCCVEGCSA-N 1 3 284.404 -0.408 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000423065562 354161775 /nfs/dbraw/zinc/16/17/75/354161775.db2.gz UUMCNIKNYQWFQB-GFCCVEGCSA-N 1 3 286.420 -0.162 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1[NH3+] ZINC000423532552 354179735 /nfs/dbraw/zinc/17/97/35/354179735.db2.gz ZXYDTUCFSSAHSE-ZYHUDNBSSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@H]1CCN(C(=O)C2(N)CCOCC2)C[C@@H]1C[NH3+] ZINC000424187745 354216997 /nfs/dbraw/zinc/21/69/97/354216997.db2.gz BGMUQISAOSOCTI-QWRGUYRKSA-N 1 3 255.362 -0.062 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000423625979 354186366 /nfs/dbraw/zinc/18/63/66/354186366.db2.gz RVIWNDUMMTVZTG-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000423670170 354190345 /nfs/dbraw/zinc/19/03/45/354190345.db2.gz LVXLGBYGNKWADQ-YNEHKIRRSA-N 1 3 269.389 -0.019 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423727207 354193844 /nfs/dbraw/zinc/19/38/44/354193844.db2.gz QTANVGSASGFHMH-VXGBXAGGSA-N 1 3 282.388 -0.511 20 0 CBADHO COCC[C@@]1(C(=O)N2CCO[C@@H](CN(C)C)C2)CC[NH2+]C1 ZINC000423755648 354196875 /nfs/dbraw/zinc/19/68/75/354196875.db2.gz KCWJXTMSWNSFEU-ZFWWWQNUSA-N 1 3 299.415 -0.208 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423750581 354197204 /nfs/dbraw/zinc/19/72/04/354197204.db2.gz UGPHHPGWSVTRAG-QWHCGFSZSA-N 1 3 287.404 -0.081 20 0 CBADHO C[N@H+](CCNC(=O)COC1CNC1)C1CCCC1 ZINC000430709744 354250494 /nfs/dbraw/zinc/25/04/94/354250494.db2.gz ZBBNXRRMEOLIII-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@@H+](CCNC(=O)COC1CNC1)C1CCCC1 ZINC000430709744 354250495 /nfs/dbraw/zinc/25/04/95/354250495.db2.gz ZBBNXRRMEOLIII-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)C[NH3+])CN1CCN(C)CC1 ZINC000431016984 354251678 /nfs/dbraw/zinc/25/16/78/354251678.db2.gz MLLWKVLKNWNETF-GFCCVEGCSA-N 1 3 270.421 -0.029 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000431032844 354251906 /nfs/dbraw/zinc/25/19/06/354251906.db2.gz FBWGJPMIAHJGCB-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000431032844 354251908 /nfs/dbraw/zinc/25/19/08/354251908.db2.gz FBWGJPMIAHJGCB-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000444264053 354266583 /nfs/dbraw/zinc/26/65/83/354266583.db2.gz BSIZCCMCCBBMGJ-IJEWVQPXSA-N 1 3 294.443 -0.014 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)CN1CCN(C)CC1 ZINC000444265397 354267240 /nfs/dbraw/zinc/26/72/40/354267240.db2.gz GWQYRPKTQHGXOK-NWDGAFQWSA-N 1 3 254.378 -0.652 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)C2CC([NH3+])C2)CC1=O ZINC000449627707 354320682 /nfs/dbraw/zinc/32/06/82/354320682.db2.gz ARTSSUOWOGFOBV-UNXYVOJBSA-N 1 3 282.388 -0.655 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)C2CC([NH3+])C2)CC1=O ZINC000449627711 354320938 /nfs/dbraw/zinc/32/09/38/354320938.db2.gz ARTSSUOWOGFOBV-VOMCLLRMSA-N 1 3 282.388 -0.655 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000449608053 354321082 /nfs/dbraw/zinc/32/10/82/354321082.db2.gz DQPYNCWADZEJTD-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449694598 354321838 /nfs/dbraw/zinc/32/18/38/354321838.db2.gz HESYVUWBMHMJAG-OLZOCXBDSA-N 1 3 268.405 -0.119 20 0 CBADHO C[NH+](C)CCOCCNC(=O)NCCNc1ccncc1 ZINC000471647019 354402569 /nfs/dbraw/zinc/40/25/69/354402569.db2.gz YSWOBZLEEWROOJ-UHFFFAOYSA-N 1 3 295.387 -0.207 20 0 CBADHO CCN(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487190235 354413018 /nfs/dbraw/zinc/41/30/18/354413018.db2.gz QXDUTYVQOIOGOG-NEPJUHHUSA-N 1 3 257.378 -0.386 20 0 CBADHO CCN(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487190235 354413020 /nfs/dbraw/zinc/41/30/20/354413020.db2.gz QXDUTYVQOIOGOG-NEPJUHHUSA-N 1 3 257.378 -0.386 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)OC ZINC000496284888 354539666 /nfs/dbraw/zinc/53/96/66/354539666.db2.gz QIPLDZSIXLYSIP-SNVBAGLBSA-N 1 3 271.365 -0.059 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000515523114 354556213 /nfs/dbraw/zinc/55/62/13/354556213.db2.gz OFXMTXKBSIXWGH-UTUOFQBUSA-N 1 3 269.393 -0.731 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCN1C1CCOCC1 ZINC000519399618 354560992 /nfs/dbraw/zinc/56/09/92/354560992.db2.gz XMYCRWQUMWYVQZ-RQJABVFESA-N 1 3 279.384 -0.036 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000519609366 354564551 /nfs/dbraw/zinc/56/45/51/354564551.db2.gz NYHYNPULNIASLS-VHSXEESVSA-N 1 3 259.350 -0.244 20 0 CBADHO CC[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519635693 354565631 /nfs/dbraw/zinc/56/56/31/354565631.db2.gz AIUIEOUJOPZCPJ-RWMBFGLXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000525437681 354571404 /nfs/dbraw/zinc/57/14/04/354571404.db2.gz WPTXTXZSABCSDT-LBPRGKRZSA-N 1 3 296.415 -0.021 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1COCCN1C ZINC000545910866 354649556 /nfs/dbraw/zinc/64/95/56/354649556.db2.gz FNVAGVCLJYKDLY-CYBMUJFWSA-N 1 3 286.420 -0.731 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)CCC[NH+](C)C)CC1=O ZINC000538314525 354612786 /nfs/dbraw/zinc/61/27/86/354612786.db2.gz JYJFSUWMAXSOEE-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000557256500 354686056 /nfs/dbraw/zinc/68/60/56/354686056.db2.gz ANNHPJXFDDBACA-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)COC2CNC2)CC1 ZINC000563075741 354694484 /nfs/dbraw/zinc/69/44/84/354694484.db2.gz PHFAWKBKJSENFG-LBPRGKRZSA-N 1 3 285.388 -0.816 20 0 CBADHO CN1CCC(C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000563101632 354696608 /nfs/dbraw/zinc/69/66/08/354696608.db2.gz JZSIPKIQINMKSY-GFCCVEGCSA-N 1 3 254.378 -0.571 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000563109389 354697459 /nfs/dbraw/zinc/69/74/59/354697459.db2.gz ASOJLIRLTVWBPT-WCQYABFASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000563109390 354697635 /nfs/dbraw/zinc/69/76/35/354697635.db2.gz ASOJLIRLTVWBPT-YPMHNXCESA-N 1 3 296.415 -0.027 20 0 CBADHO O=C(CCN1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000563150066 354699561 /nfs/dbraw/zinc/69/95/61/354699561.db2.gz XUJKQVBOCLJHOU-STQMWFEESA-N 1 3 266.389 -0.650 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153666 354699849 /nfs/dbraw/zinc/69/98/49/354699849.db2.gz DMONATIIWCUNGD-GMTAPVOTSA-N 1 3 268.361 -0.109 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153677 354699941 /nfs/dbraw/zinc/69/99/41/354699941.db2.gz DMONATIIWCUNGD-MXWKQRLJSA-N 1 3 268.361 -0.109 20 0 CBADHO O=C(CCN1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCNCC1 ZINC000563150014 354700065 /nfs/dbraw/zinc/70/00/65/354700065.db2.gz SYUMLXOSPCEQAK-QWHCGFSZSA-N 1 3 266.389 -0.508 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000564732996 354715974 /nfs/dbraw/zinc/71/59/74/354715974.db2.gz KFHJBQMUDYDSPO-HIFRSBDPSA-N 1 3 298.431 -0.899 20 0 CBADHO CCN(CC)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565237034 354733668 /nfs/dbraw/zinc/73/36/68/354733668.db2.gz AZJAAOWGCPLULJ-MNOVXSKESA-N 1 3 268.361 -0.901 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)CCOC2CNC2)CC1 ZINC000564942389 354721944 /nfs/dbraw/zinc/72/19/44/354721944.db2.gz PTGRDZSJEBUEOB-JTQLQIEISA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[NH2+]CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000564943835 354722096 /nfs/dbraw/zinc/72/20/96/354722096.db2.gz AQWLMTARZQADJL-UHFFFAOYSA-N 1 3 281.364 -0.459 20 0 CBADHO C[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564948712 354722271 /nfs/dbraw/zinc/72/22/71/354722271.db2.gz IRLKCOUIPSCJNB-VHSXEESVSA-N 1 3 256.350 -0.820 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564956911 354722553 /nfs/dbraw/zinc/72/25/53/354722553.db2.gz XQVWYGIBEUVCSQ-MNOVXSKESA-N 1 3 255.362 -0.062 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000564992804 354724900 /nfs/dbraw/zinc/72/49/00/354724900.db2.gz UKHSQKCWBWRAQF-GHMZBOCLSA-N 1 3 271.361 -0.099 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000564989875 354725001 /nfs/dbraw/zinc/72/50/01/354725001.db2.gz WABYEXPAIRKBOP-WDEREUQCSA-N 1 3 271.361 -0.323 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565999385 354749615 /nfs/dbraw/zinc/74/96/15/354749615.db2.gz OISOUJBXYMSKCM-HZSPNIEDSA-N 1 3 296.415 -0.042 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCNCC1 ZINC000566017418 354750783 /nfs/dbraw/zinc/75/07/83/354750783.db2.gz VJXLIFQUXFBIFZ-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO NC(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000566066980 354751851 /nfs/dbraw/zinc/75/18/51/354751851.db2.gz YCIZZJGSZBBLJD-BIIVOSGPSA-N 1 3 251.252 -0.056 20 0 CBADHO NC(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000566066983 354752022 /nfs/dbraw/zinc/75/20/22/354752022.db2.gz YCIZZJGSZBBLJD-XLPZGREQSA-N 1 3 251.252 -0.056 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)CCC[NH3+])C1CC1 ZINC000566511625 354769996 /nfs/dbraw/zinc/76/99/96/354769996.db2.gz WZWRJAJSGJNBCP-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000567613898 354791860 /nfs/dbraw/zinc/79/18/60/354791860.db2.gz SSUNPSPVUAQLHY-LPWJVIDDSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000567598918 354791878 /nfs/dbraw/zinc/79/18/78/354791878.db2.gz XEAAMRGSJVRXLW-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N1CCN(CCC[NH2+]C(CO)CO)CC1 ZINC000566924445 354777919 /nfs/dbraw/zinc/77/79/19/354777919.db2.gz UMMJVOLRBJLWNA-UHFFFAOYSA-N 1 3 259.394 -0.655 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566984603 354778610 /nfs/dbraw/zinc/77/86/10/354778610.db2.gz MYIJZEGZOZHICR-GMTAPVOTSA-N 1 3 280.372 -0.855 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000567049713 354779789 /nfs/dbraw/zinc/77/97/89/354779789.db2.gz KRMMWLINFDXUJA-SECBINFHSA-N 1 3 257.334 -0.345 20 0 CBADHO COCCNCC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000567384043 354786925 /nfs/dbraw/zinc/78/69/25/354786925.db2.gz OWSDADPZWKCJRU-LBPRGKRZSA-N 1 3 259.350 -0.893 20 0 CBADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000565419867 354738090 /nfs/dbraw/zinc/73/80/90/354738090.db2.gz IIEYEXMLYKRTIE-BXUZGUMPSA-N 1 3 284.404 -0.183 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567839314 354800878 /nfs/dbraw/zinc/80/08/78/354800878.db2.gz JJUFXCBKOUGWCA-ZAZJYDDPSA-N 1 3 297.399 -0.295 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CNCCC1(F)F ZINC000567845318 354801012 /nfs/dbraw/zinc/80/10/12/354801012.db2.gz SQVSXAVMMHNKJD-YUMQZZPRSA-N 1 3 251.277 -0.536 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCCCN1CCO)C1CC1 ZINC000567872828 354801958 /nfs/dbraw/zinc/80/19/58/354801958.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@H](O)CNC[C@@H]1CCCCN1CCO)C1CC1 ZINC000567872828 354801960 /nfs/dbraw/zinc/80/19/60/354801960.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@H](O)CNC[C@@H]1CCCCN1CCO)C1CC1 ZINC000567872828 354801962 /nfs/dbraw/zinc/80/19/62/354801962.db2.gz IBHAWZXRWAWCNR-LSDHHAIUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@H](CO)CN1CCCC1)C1CC1 ZINC000567874436 354802613 /nfs/dbraw/zinc/80/26/13/354802613.db2.gz NQLGCIYXCDVRNL-JSGCOSHPSA-N 1 3 271.405 -0.512 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@H](CO)CN1CCCC1)C1CC1 ZINC000567874436 354802615 /nfs/dbraw/zinc/80/26/15/354802615.db2.gz NQLGCIYXCDVRNL-JSGCOSHPSA-N 1 3 271.405 -0.512 20 0 CBADHO Cn1cc(C[C@H](CO)CNC[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874710 354802770 /nfs/dbraw/zinc/80/27/70/354802770.db2.gz UKFPOTQQYDTIOQ-ZFWWWQNUSA-N 1 3 296.415 -0.384 20 0 CBADHO Cn1cc(C[C@H](CO)CNC[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874710 354802771 /nfs/dbraw/zinc/80/27/71/354802771.db2.gz UKFPOTQQYDTIOQ-ZFWWWQNUSA-N 1 3 296.415 -0.384 20 0 CBADHO c1cncc([C@H]2CNCCN2CCN2CC[NH2+]CC2)c1 ZINC000567889250 354803159 /nfs/dbraw/zinc/80/31/59/354803159.db2.gz FSFGCOJNELDZIQ-OAHLLOKOSA-N 1 3 275.400 -0.067 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000567983161 354807266 /nfs/dbraw/zinc/80/72/66/354807266.db2.gz VLRIOSXZZKIEPP-YPMHNXCESA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000567983161 354807268 /nfs/dbraw/zinc/80/72/68/354807268.db2.gz VLRIOSXZZKIEPP-YPMHNXCESA-N 1 3 284.404 -0.456 20 0 CBADHO C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)CN1CCN(C)CC1 ZINC000568095066 354810460 /nfs/dbraw/zinc/81/04/60/354810460.db2.gz XSLBHLANEMVKAJ-NFAWXSAZSA-N 1 3 280.416 -0.262 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568110333 354811472 /nfs/dbraw/zinc/81/14/72/354811472.db2.gz UOMKXYSAZLFTIG-JTQLQIEISA-N 1 3 268.361 -0.983 20 0 CBADHO CC1(C)CN(C(=O)COC2CC[NH2+]CC2)CCN1 ZINC000568389992 354822296 /nfs/dbraw/zinc/82/22/96/354822296.db2.gz MZKSOKPDOOGKMS-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO COC[C@@]1(CNC(=O)C[C@@H]2CSCCN2)CCC[NH2+]1 ZINC000568381339 354822804 /nfs/dbraw/zinc/82/28/04/354822804.db2.gz HNAFQRLNVFUECJ-YPMHNXCESA-N 1 3 287.429 -0.034 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000570666014 354866999 /nfs/dbraw/zinc/86/69/99/354866999.db2.gz SKXKQVNUPRVBTN-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000570666012 354867325 /nfs/dbraw/zinc/86/73/25/354867325.db2.gz SKXKQVNUPRVBTN-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000571678523 354877726 /nfs/dbraw/zinc/87/77/26/354877726.db2.gz RCCQXWDGFWQZLN-KXUCPTDWSA-N 1 3 257.334 -0.524 20 0 CBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CNC1 ZINC000569336471 354843162 /nfs/dbraw/zinc/84/31/62/354843162.db2.gz QAMRSZPSCDUYJE-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CO[C@@H](CN)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000569925968 354849850 /nfs/dbraw/zinc/84/98/50/354849850.db2.gz IDGRNDWZNUCTIB-XQQFMLRXSA-N 1 3 263.341 -0.087 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000569967540 354851991 /nfs/dbraw/zinc/85/19/91/354851991.db2.gz UGPXHNUOUBKZGT-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000569967540 354851993 /nfs/dbraw/zinc/85/19/93/354851993.db2.gz UGPXHNUOUBKZGT-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000570147392 354856105 /nfs/dbraw/zinc/85/61/05/354856105.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 1 3 285.436 -0.001 20 0 CBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000570147392 354856107 /nfs/dbraw/zinc/85/61/07/354856107.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 1 3 285.436 -0.001 20 0 CBADHO CCC[N@H+](CC)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000572235682 354889272 /nfs/dbraw/zinc/88/92/72/354889272.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO CCC[N@@H+](CC)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000572235682 354889276 /nfs/dbraw/zinc/88/92/76/354889276.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO CCCN(CC)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000572235682 354889279 /nfs/dbraw/zinc/88/92/79/354889279.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000572347028 354891392 /nfs/dbraw/zinc/89/13/92/354891392.db2.gz PJZQAOBAAWISGX-UTUOFQBUSA-N 1 3 254.378 -0.524 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000572494539 354892121 /nfs/dbraw/zinc/89/21/21/354892121.db2.gz YQLYEMSPDLFIGK-GRYCIOLGSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000572494539 354892123 /nfs/dbraw/zinc/89/21/23/354892123.db2.gz YQLYEMSPDLFIGK-GRYCIOLGSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1C1CC1 ZINC000572719345 354896227 /nfs/dbraw/zinc/89/62/27/354896227.db2.gz XFMFUGZKYVOQRB-GHMZBOCLSA-N 1 3 292.387 -0.018 20 0 CBADHO CN(CCNC(=O)c1cn(CCCC[NH3+])nn1)C1CC1 ZINC000572837962 354899402 /nfs/dbraw/zinc/89/94/02/354899402.db2.gz KWHFPHDQULHPKX-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000572977161 354901891 /nfs/dbraw/zinc/90/18/91/354901891.db2.gz LQMSAUACBVGWAE-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](NC1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241964 354907640 /nfs/dbraw/zinc/90/76/40/354907640.db2.gz WJBHHSXGTKWGGD-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](NC1CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241964 354907644 /nfs/dbraw/zinc/90/76/44/354907644.db2.gz WJBHHSXGTKWGGD-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](NC1CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241965 354907878 /nfs/dbraw/zinc/90/78/78/354907878.db2.gz WJBHHSXGTKWGGD-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](NC1CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241965 354907884 /nfs/dbraw/zinc/90/78/84/354907884.db2.gz WJBHHSXGTKWGGD-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778482 354880328 /nfs/dbraw/zinc/88/03/28/354880328.db2.gz LBJSBZXKNYVRHB-DGCLKSJQSA-N 1 3 292.387 -0.207 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000573719109 354919656 /nfs/dbraw/zinc/91/96/56/354919656.db2.gz SUSPPDJHNYFQMV-ZDUSSCGKSA-N 1 3 253.346 -0.423 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573801266 354922356 /nfs/dbraw/zinc/92/23/56/354922356.db2.gz XCDOUHMLBUXHEU-QCNOEVLYSA-N 1 3 283.372 -0.147 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000573967356 354925082 /nfs/dbraw/zinc/92/50/82/354925082.db2.gz VDTVUJWWCFWGGM-PWSUYJOCSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000574054908 354927534 /nfs/dbraw/zinc/92/75/34/354927534.db2.gz PBJXJEVGQZDCNO-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000574200837 354930613 /nfs/dbraw/zinc/93/06/13/354930613.db2.gz ACLBNVCJMLHMEO-AWEZNQCLSA-N 1 3 299.415 -0.018 20 0 CBADHO C[C@]1(C[NH3+])CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000578126932 354938837 /nfs/dbraw/zinc/93/88/37/354938837.db2.gz HXWXVQSDBLMICP-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343897610 291046590 /nfs/dbraw/zinc/04/65/90/291046590.db2.gz XIYLUHUAFZUXRT-GRYCIOLGSA-N 1 3 283.372 -0.038 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343897610 291046594 /nfs/dbraw/zinc/04/65/94/291046594.db2.gz XIYLUHUAFZUXRT-GRYCIOLGSA-N 1 3 283.372 -0.038 20 0 CBADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC[NH2+]C1 ZINC000579026262 354961128 /nfs/dbraw/zinc/96/11/28/354961128.db2.gz UPBVVNSRENSTFS-NWDGAFQWSA-N 1 3 270.377 -0.506 20 0 CBADHO C[NH2+]CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000578766448 354954381 /nfs/dbraw/zinc/95/43/81/354954381.db2.gz URWSNHBIOCFIFT-ZDUSSCGKSA-N 1 3 268.405 -0.167 20 0 CBADHO OCC[C@H]1CSCCN1CCN1CC[NH2+]CC1 ZINC000579122713 354963047 /nfs/dbraw/zinc/96/30/47/354963047.db2.gz JJTNZTJGGNNZQL-LBPRGKRZSA-N 1 3 259.419 -0.309 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124926 354963305 /nfs/dbraw/zinc/96/33/05/354963305.db2.gz YKGUEWRADOUVQH-VXGBXAGGSA-N 1 3 257.378 -0.148 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124926 354963306 /nfs/dbraw/zinc/96/33/06/354963306.db2.gz YKGUEWRADOUVQH-VXGBXAGGSA-N 1 3 257.378 -0.148 20 0 CBADHO COC[C@@]1(CNC(=O)CNC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000579464295 354970127 /nfs/dbraw/zinc/97/01/27/354970127.db2.gz JWPXDCTUVFLONC-JSGCOSHPSA-N 1 3 285.388 -0.360 20 0 CBADHO [NH3+]CCC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000579726381 354977565 /nfs/dbraw/zinc/97/75/65/354977565.db2.gz IVNBLVDFQQRKTK-LBPRGKRZSA-N 1 3 255.362 -0.048 20 0 CBADHO CN(C)CCN(C(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000579830249 354979789 /nfs/dbraw/zinc/97/97/89/354979789.db2.gz SRXHBTWBOZMZSM-UHFFFAOYSA-N 1 3 255.362 -0.083 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000579830857 354979941 /nfs/dbraw/zinc/97/99/41/354979941.db2.gz YEDZKTFIPJDAMK-WDEREUQCSA-N 1 3 270.377 -0.717 20 0 CBADHO C[C@H]1C[NH2+]CCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000584350863 355029944 /nfs/dbraw/zinc/02/99/44/355029944.db2.gz GEHYDSYKLKVFDC-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000584581144 355032066 /nfs/dbraw/zinc/03/20/66/355032066.db2.gz YTIMUTAQMWYWAL-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+](C[C@@H](O)CNCCC1(O)CCOCC1)C1CC1 ZINC000584586603 355032923 /nfs/dbraw/zinc/03/29/23/355032923.db2.gz LNQIERDXZHHOQO-ZDUSSCGKSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCCC1(O)CCOCC1)C1CC1 ZINC000584586603 355032927 /nfs/dbraw/zinc/03/29/27/355032927.db2.gz LNQIERDXZHHOQO-ZDUSSCGKSA-N 1 3 272.389 -0.037 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@@H]2C1 ZINC000418677626 283069860 /nfs/dbraw/zinc/06/98/60/283069860.db2.gz UUDOSSXXRBETFT-LBELIVKGSA-N 1 3 264.373 -0.060 20 0 CBADHO C[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)[C@@H](C)C[NH2+]1 ZINC000582062566 355006438 /nfs/dbraw/zinc/00/64/38/355006438.db2.gz OWSSRWMQDUEHGG-AGIUHOORSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CN1C1CC1 ZINC000582350472 355015045 /nfs/dbraw/zinc/01/50/45/355015045.db2.gz FBIMBNVEMSXPSZ-NWDGAFQWSA-N 1 3 294.399 -0.450 20 0 CBADHO CNS(=O)(=O)CCCN1CCC(CC[NH3+])CC1 ZINC000583504959 355018093 /nfs/dbraw/zinc/01/80/93/355018093.db2.gz MKXMTNRGXZXUDL-UHFFFAOYSA-N 1 3 263.407 -0.014 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC[NH3+] ZINC000583452441 355018151 /nfs/dbraw/zinc/01/81/51/355018151.db2.gz JOMIDIHPGQCLBD-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000584002098 355027149 /nfs/dbraw/zinc/02/71/49/355027149.db2.gz LZOPQEWRQKIYON-RWMBFGLXSA-N 1 3 260.378 -0.229 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000584002098 355027152 /nfs/dbraw/zinc/02/71/52/355027152.db2.gz LZOPQEWRQKIYON-RWMBFGLXSA-N 1 3 260.378 -0.229 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])C[C@@H]21 ZINC000584047550 355028192 /nfs/dbraw/zinc/02/81/92/355028192.db2.gz NUDRRNKBGPJXIG-WOPDTQHZSA-N 1 3 280.372 -0.901 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000588975171 355063944 /nfs/dbraw/zinc/06/39/44/355063944.db2.gz FWSWJELQLRKSQA-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000588975171 355063945 /nfs/dbraw/zinc/06/39/45/355063945.db2.gz FWSWJELQLRKSQA-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591667694 355106550 /nfs/dbraw/zinc/10/65/50/355106550.db2.gz ODPPRWCCFXXTJU-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591667694 355106552 /nfs/dbraw/zinc/10/65/52/355106552.db2.gz ODPPRWCCFXXTJU-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CCC(=O)OC ZINC000592548543 355161105 /nfs/dbraw/zinc/16/11/05/355161105.db2.gz HGMWNGMYRLUNJM-GUBZILKMSA-N 1 3 275.324 -0.575 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000592331957 355148138 /nfs/dbraw/zinc/14/81/38/355148138.db2.gz DDNABKUXRZUKNF-KXUCPTDWSA-N 1 3 257.334 -0.476 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873649 355265709 /nfs/dbraw/zinc/26/57/09/355265709.db2.gz GLRDXFBJCRULGD-UWVGGRQHSA-N 1 3 266.345 -0.972 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879717 355267791 /nfs/dbraw/zinc/26/77/91/355267791.db2.gz KZPCEBNSQMQTJC-SDDRHHMPSA-N 1 3 280.372 -0.711 20 0 CBADHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594880561 355267908 /nfs/dbraw/zinc/26/79/08/355267908.db2.gz UVVOHJPEBMCGKB-AXFHLTTASA-N 1 3 268.361 -0.870 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900733 355315665 /nfs/dbraw/zinc/31/56/65/355315665.db2.gz JJAVWGSQFPCHMR-NSHDSACASA-N 1 3 268.361 -0.107 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1=O ZINC000598680455 355449906 /nfs/dbraw/zinc/44/99/06/355449906.db2.gz BXJQKRVAHCETPT-SLEUVZQESA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1=O ZINC000598680455 355449907 /nfs/dbraw/zinc/44/99/07/355449907.db2.gz BXJQKRVAHCETPT-SLEUVZQESA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)c1cn(CC[NH2+]C[C@H](O)CN2CCCC2)nn1 ZINC000600739790 355564344 /nfs/dbraw/zinc/56/43/44/355564344.db2.gz FTTDITZFGWXPHP-NSHDSACASA-N 1 3 297.359 -0.889 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N(C)C ZINC000600761398 355565570 /nfs/dbraw/zinc/56/55/70/355565570.db2.gz PKYQCULZLHZJPA-HBNTYKKESA-N 1 3 268.361 -0.903 20 0 CBADHO COC(=O)COCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000600761586 355565693 /nfs/dbraw/zinc/56/56/93/355565693.db2.gz MFBMLOHWIFDZTR-NSHDSACASA-N 1 3 260.334 -0.778 20 0 CBADHO CC(C)N(C)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602472671 355652319 /nfs/dbraw/zinc/65/23/19/355652319.db2.gz JMOVLDQZHBDGHU-IBGZPJMESA-N 1 3 289.445 -0.057 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000602523737 355657487 /nfs/dbraw/zinc/65/74/87/355657487.db2.gz HOMLNXIZMNOHKD-UTUOFQBUSA-N 1 3 280.372 -0.901 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000602523737 355657488 /nfs/dbraw/zinc/65/74/88/355657488.db2.gz HOMLNXIZMNOHKD-UTUOFQBUSA-N 1 3 280.372 -0.901 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@@H+]1C ZINC000602525153 355657608 /nfs/dbraw/zinc/65/76/08/355657608.db2.gz MYIGENHSSFIGML-YVECIDJPSA-N 1 3 294.399 -0.513 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@H+]1C ZINC000602525153 355657612 /nfs/dbraw/zinc/65/76/12/355657612.db2.gz MYIGENHSSFIGML-YVECIDJPSA-N 1 3 294.399 -0.513 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000602532002 355658297 /nfs/dbraw/zinc/65/82/97/355658297.db2.gz ZALMBINLGHESOC-WDEREUQCSA-N 1 3 280.372 -0.901 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000602605579 355664620 /nfs/dbraw/zinc/66/46/20/355664620.db2.gz WZZNFHVBQZEIET-WOPDTQHZSA-N 1 3 283.372 -0.133 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974080 355623681 /nfs/dbraw/zinc/62/36/81/355623681.db2.gz LIIPCVHFLXKQMK-YFCNSXCBSA-N 1 3 292.383 -0.854 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419119346 295907343 /nfs/dbraw/zinc/90/73/43/295907343.db2.gz JNLKHNIMWSVTIA-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000606618535 355740754 /nfs/dbraw/zinc/74/07/54/355740754.db2.gz GNHDNGVANMBYFL-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO Cn1cc(CNCCCN2CCC[N@H+](C)CC2)nn1 ZINC000608055997 355755911 /nfs/dbraw/zinc/75/59/11/355755911.db2.gz MXLCTKRKOHRYHW-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO Cn1cc(CNCCCN2CCC[N@@H+](C)CC2)nn1 ZINC000608055997 355755917 /nfs/dbraw/zinc/75/59/17/355755917.db2.gz MXLCTKRKOHRYHW-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612883767 355855159 /nfs/dbraw/zinc/85/51/59/355855159.db2.gz UQGHDXMUKRUEBC-AAEUAGOBSA-N 1 3 270.377 -0.242 20 0 CBADHO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000612993765 355859686 /nfs/dbraw/zinc/85/96/86/355859686.db2.gz FJBFVGRZADSIRA-XQQFMLRXSA-N 1 3 294.399 -0.411 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000614858068 355994343 /nfs/dbraw/zinc/99/43/43/355994343.db2.gz LPNVFQXORNFMLL-LLVKDONJSA-N 1 3 283.376 -0.903 20 0 CBADHO C[C@@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[NH+](C)C ZINC000617756965 356154391 /nfs/dbraw/zinc/15/43/91/356154391.db2.gz RUUGYGTYPGNAIL-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC000617503345 356139584 /nfs/dbraw/zinc/13/95/84/356139584.db2.gz FQBMJWJEIWVIPW-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC000617503345 356139586 /nfs/dbraw/zinc/13/95/86/356139586.db2.gz FQBMJWJEIWVIPW-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000617508220 356140513 /nfs/dbraw/zinc/14/05/13/356140513.db2.gz YLOISJIJFUFPLW-YNEHKIRRSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000617508220 356140517 /nfs/dbraw/zinc/14/05/17/356140517.db2.gz YLOISJIJFUFPLW-YNEHKIRRSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000617508219 356141077 /nfs/dbraw/zinc/14/10/77/356141077.db2.gz YLOISJIJFUFPLW-XQQFMLRXSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000617508219 356141082 /nfs/dbraw/zinc/14/10/82/356141082.db2.gz YLOISJIJFUFPLW-XQQFMLRXSA-N 1 3 298.431 -0.114 20 0 CBADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@H+](C)C1 ZINC000617553680 356141833 /nfs/dbraw/zinc/14/18/33/356141833.db2.gz NXZJSFVEYOIWHC-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000617553680 356141838 /nfs/dbraw/zinc/14/18/38/356141838.db2.gz NXZJSFVEYOIWHC-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO CN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621838099 356288753 /nfs/dbraw/zinc/28/87/53/356288753.db2.gz XNIYMTADMPNFPC-ABAIWWIYSA-N 1 3 294.399 -0.463 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621846003 356290122 /nfs/dbraw/zinc/29/01/22/356290122.db2.gz SWAHGPVPLZEWFQ-DOMZBBRYSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622025276 356300321 /nfs/dbraw/zinc/30/03/21/356300321.db2.gz NUSWKLGVTCTMLC-BXUZGUMPSA-N 1 3 282.388 -0.654 20 0 CBADHO Nc1nc(N)nc(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000624162162 356399925 /nfs/dbraw/zinc/39/99/25/356399925.db2.gz QRAMLFNQUIUISD-UHFFFAOYSA-N 1 3 263.349 -0.595 20 0 CBADHO Nc1nc(N)nc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000623812360 356377089 /nfs/dbraw/zinc/37/70/89/356377089.db2.gz SZALFFZZINMIAG-UHFFFAOYSA-N 1 3 272.316 -0.582 20 0 CBADHO C[C@H]1CCCC[N@@H+]1CCCNc1nc(N)nc(N)n1 ZINC000623810187 356377165 /nfs/dbraw/zinc/37/71/65/356377165.db2.gz MPNQBWYUJFYQLA-VIFPVBQESA-N 1 3 265.365 -0.205 20 0 CBADHO C[C@H]1CCCC[N@H+]1CCCNc1nc(N)nc(N)n1 ZINC000623810187 356377167 /nfs/dbraw/zinc/37/71/67/356377167.db2.gz MPNQBWYUJFYQLA-VIFPVBQESA-N 1 3 265.365 -0.205 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623864305 356380115 /nfs/dbraw/zinc/38/01/15/356380115.db2.gz LNQJOQWJZBPNNV-AOOOYVTPSA-N 1 3 279.392 -0.101 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623864305 356380117 /nfs/dbraw/zinc/38/01/17/356380117.db2.gz LNQJOQWJZBPNNV-AOOOYVTPSA-N 1 3 279.392 -0.101 20 0 CBADHO C[NH+](C)CC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623868646 356380490 /nfs/dbraw/zinc/38/04/90/356380490.db2.gz CHNPNVDDJZLYRO-UHFFFAOYSA-N 1 3 251.338 -0.525 20 0 CBADHO CN(CC1CC[NH+](C)CC1)c1nc(N)nc(N)n1 ZINC000623938721 356384140 /nfs/dbraw/zinc/38/41/40/356384140.db2.gz ZXLKRDLFRMJPQW-UHFFFAOYSA-N 1 3 251.338 -0.525 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)c1nc(N)nc(N)n1 ZINC000623974424 356385595 /nfs/dbraw/zinc/38/55/95/356385595.db2.gz DYZDJYBXGASOJX-QMMMGPOBSA-N 1 3 251.338 -0.525 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc(N)nc(N)n1 ZINC000623974424 356385600 /nfs/dbraw/zinc/38/56/00/356385600.db2.gz DYZDJYBXGASOJX-QMMMGPOBSA-N 1 3 251.338 -0.525 20 0 CBADHO CC[NH+](CC)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624005361 356388173 /nfs/dbraw/zinc/38/81/73/356388173.db2.gz OUHZHZKANLSJHB-SECBINFHSA-N 1 3 265.365 -0.135 20 0 CBADHO C[NH+](C)CC1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000624057571 356393307 /nfs/dbraw/zinc/39/33/07/356393307.db2.gz PPFBGBIDBJCPKQ-UHFFFAOYSA-N 1 3 265.365 -0.349 20 0 CBADHO C[NH+]1CCC([C@H]2CCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000624065102 356394839 /nfs/dbraw/zinc/39/48/39/356394839.db2.gz XEQQLIUZFIWQJZ-JTQLQIEISA-N 1 3 277.376 -0.135 20 0 CBADHO Nc1nc(N)nc(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000624177264 356401188 /nfs/dbraw/zinc/40/11/88/356401188.db2.gz AADPXQICMKOKRL-UHFFFAOYSA-N 1 3 263.349 -0.453 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626950670 356558766 /nfs/dbraw/zinc/55/87/66/356558766.db2.gz YHYBPDCSBYVMGR-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626965432 356560663 /nfs/dbraw/zinc/56/06/63/356560663.db2.gz DUJXXEWWCXYGSN-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO C[NH2+]CCOCCNC(=O)NCCN(C)C1CC1 ZINC000626975922 356561773 /nfs/dbraw/zinc/56/17/73/356561773.db2.gz JCQNPZDRDZXPHT-UHFFFAOYSA-N 1 3 258.366 -0.384 20 0 CBADHO CN(C)CCOCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627018961 356568423 /nfs/dbraw/zinc/56/84/23/356568423.db2.gz LFPRAMZTFDMJHO-UHFFFAOYSA-N 1 3 288.392 -0.628 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131867 356587879 /nfs/dbraw/zinc/58/78/79/356587879.db2.gz XEWCPTSRVKGDOA-AAEUAGOBSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C)CN1 ZINC000627146880 356588648 /nfs/dbraw/zinc/58/86/48/356588648.db2.gz BUQYNWJMXBBEGT-MNOVXSKESA-N 1 3 270.377 -0.114 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000627163872 356591951 /nfs/dbraw/zinc/59/19/51/356591951.db2.gz WIPSKMAHZLNGND-DMDPSCGWSA-N 1 3 270.377 -0.507 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000627171209 356592868 /nfs/dbraw/zinc/59/28/68/356592868.db2.gz RLNSBQHZNOULAH-GHMZBOCLSA-N 1 3 258.366 -0.386 20 0 CBADHO COCCNCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627082277 356577331 /nfs/dbraw/zinc/57/73/31/356577331.db2.gz HERFWXXJPADHKX-OKILXGFUSA-N 1 3 284.404 -0.137 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)C[NH2+]1 ZINC000627101327 356583128 /nfs/dbraw/zinc/58/31/28/356583128.db2.gz BKDQJOCULUFISR-VWYCJHECSA-N 1 3 256.350 -0.586 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627126444 356586694 /nfs/dbraw/zinc/58/66/94/356586694.db2.gz FYUONHYHKPMQRB-YNEHKIRRSA-N 1 3 294.399 -0.269 20 0 CBADHO C[C@@H]1CN(C(=O)NCCOCCC[NH3+])[C@@H](C)CN1 ZINC000627219092 356608056 /nfs/dbraw/zinc/60/80/56/356608056.db2.gz PHGCMXMEZDEJMU-MNOVXSKESA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627219094 356608121 /nfs/dbraw/zinc/60/81/21/356608121.db2.gz PHGCMXMEZDEJMU-WDEREUQCSA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@H]1NCCN(C(=O)NCCOCCC[NH3+])[C@H]1C ZINC000627219650 356609065 /nfs/dbraw/zinc/60/90/65/356609065.db2.gz ZVRKPVFRQIBQAS-MNOVXSKESA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000627245944 356611213 /nfs/dbraw/zinc/61/12/13/356611213.db2.gz MKAGIXJMIFZNPP-RWMBFGLXSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627246121 356611267 /nfs/dbraw/zinc/61/12/67/356611267.db2.gz WJUOPHBCOFKIQD-NNYUYHANSA-N 1 3 268.361 -0.803 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN1CCCO ZINC000627245945 356611330 /nfs/dbraw/zinc/61/13/30/356611330.db2.gz MKAGIXJMIFZNPP-YNEHKIRRSA-N 1 3 284.404 -0.117 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[NH2+]C1 ZINC000627251643 356613831 /nfs/dbraw/zinc/61/38/31/356613831.db2.gz UPBVVNSRENSTFS-NEPJUHHUSA-N 1 3 270.377 -0.506 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)C[NH2+]1 ZINC000627198174 356603789 /nfs/dbraw/zinc/60/37/89/356603789.db2.gz IQQXFDCSOSUZLZ-VXGBXAGGSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627379869 356635781 /nfs/dbraw/zinc/63/57/81/356635781.db2.gz AACUWSXYLJQPMC-CYZMBNFOSA-N 1 3 294.399 -0.547 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000627385189 356635820 /nfs/dbraw/zinc/63/58/20/356635820.db2.gz CAEIUYLVKOWVBZ-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000627385189 356635822 /nfs/dbraw/zinc/63/58/22/356635822.db2.gz CAEIUYLVKOWVBZ-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000627357244 356631622 /nfs/dbraw/zinc/63/16/22/356631622.db2.gz BCVFBOJNWOQCTP-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627293586 356621092 /nfs/dbraw/zinc/62/10/92/356621092.db2.gz XLIKSQNLXHEDKR-LLVKDONJSA-N 1 3 268.361 -0.935 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000627377062 356635303 /nfs/dbraw/zinc/63/53/03/356635303.db2.gz XFYARMKPGNXYHN-LLVKDONJSA-N 1 3 282.388 -0.440 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C[NH2+]1 ZINC000627304763 356622575 /nfs/dbraw/zinc/62/25/75/356622575.db2.gz DZEJIAVPZJILGW-VOAKCMCISA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1=CCN(C)CC1 ZINC000627377151 356635368 /nfs/dbraw/zinc/63/53/68/356635368.db2.gz ZZGOEMNPXCFVLI-NTZNESFSSA-N 1 3 294.399 -0.380 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)C[NH2+]1 ZINC000627341959 356629165 /nfs/dbraw/zinc/62/91/65/356629165.db2.gz SJBMKIVSHVMNNS-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425238 356644426 /nfs/dbraw/zinc/64/44/26/356644426.db2.gz IZEVYQFQXKHYLK-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425232 356644456 /nfs/dbraw/zinc/64/44/56/356644456.db2.gz IXKCTUYCXQEEAO-FRRDWIJNSA-N 1 3 294.399 -0.402 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627389910 356637069 /nfs/dbraw/zinc/63/70/69/356637069.db2.gz VCHBKWWMFQKOSF-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN(CC)CC ZINC000627389766 356637325 /nfs/dbraw/zinc/63/73/25/356637325.db2.gz PJGGSCBYTOWVPQ-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398677 356638804 /nfs/dbraw/zinc/63/88/04/356638804.db2.gz TWANVDXTVMUFGA-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398677 356638808 /nfs/dbraw/zinc/63/88/08/356638808.db2.gz TWANVDXTVMUFGA-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507375 356661675 /nfs/dbraw/zinc/66/16/75/356661675.db2.gz PRHGVUPCCBLSTL-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627478693 356654067 /nfs/dbraw/zinc/65/40/67/356654067.db2.gz QSHUKVFCFPDCJG-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)C[NH2+]1 ZINC000627484363 356655225 /nfs/dbraw/zinc/65/52/25/356655225.db2.gz WWSBLUBTRFYHRE-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502155 356659147 /nfs/dbraw/zinc/65/91/47/356659147.db2.gz MKHXDRLDBWSBRN-QJPTWQEYSA-N 1 3 282.388 -0.547 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000627503784 356659608 /nfs/dbraw/zinc/65/96/08/356659608.db2.gz BRSSBHIIIXGGGG-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCCC2)O1 ZINC000629567895 356781190 /nfs/dbraw/zinc/78/11/90/356781190.db2.gz GVJIHDUZDVJFFQ-SRVKXCTJSA-N 1 3 271.361 -0.934 20 0 CBADHO C[C@H]1COCCN1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629560855 356779263 /nfs/dbraw/zinc/77/92/63/356779263.db2.gz YHUCPEDSDUAFEK-UONOGXRCSA-N 1 3 271.405 -0.247 20 0 CBADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CN(C)CCO1 ZINC000629570104 356780399 /nfs/dbraw/zinc/78/03/99/356780399.db2.gz IASHRCNDFGAHPO-IHRRRGAJSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)[C@@H]1CN(C)CCO1 ZINC000629570104 356780404 /nfs/dbraw/zinc/78/04/04/356780404.db2.gz IASHRCNDFGAHPO-IHRRRGAJSA-N 1 3 271.405 -0.248 20 0 CBADHO Nc1ncccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629513739 356775791 /nfs/dbraw/zinc/77/57/91/356775791.db2.gz VCHWAPDSQGEWKQ-GFCCVEGCSA-N 1 3 277.372 -0.049 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000629512185 356776176 /nfs/dbraw/zinc/77/61/76/356776176.db2.gz BKLNIQPWLYAJDQ-UTUOFQBUSA-N 1 3 254.378 -0.204 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1N ZINC000629512185 356776178 /nfs/dbraw/zinc/77/61/78/356776178.db2.gz BKLNIQPWLYAJDQ-UTUOFQBUSA-N 1 3 254.378 -0.204 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CCCN(C(=O)CN)C1 ZINC000629652675 356789148 /nfs/dbraw/zinc/78/91/48/356789148.db2.gz BXCPYLYIVDFOQQ-RWMBFGLXSA-N 1 3 268.405 -0.086 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000629790295 356793319 /nfs/dbraw/zinc/79/33/19/356793319.db2.gz CPVHNJXQEOOZQG-LBPRGKRZSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000629790295 356793320 /nfs/dbraw/zinc/79/33/20/356793320.db2.gz CPVHNJXQEOOZQG-LBPRGKRZSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000629794743 356793455 /nfs/dbraw/zinc/79/34/55/356793455.db2.gz CQRBRVBJOWTRLI-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000629794969 356793621 /nfs/dbraw/zinc/79/36/21/356793621.db2.gz XJQLMASEBHVKMN-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000629795961 356794299 /nfs/dbraw/zinc/79/42/99/356794299.db2.gz NJLHONWSIUKCMG-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000629798847 356795523 /nfs/dbraw/zinc/79/55/23/356795523.db2.gz LSQHJNDNRLSSBN-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000629798847 356795527 /nfs/dbraw/zinc/79/55/27/356795527.db2.gz LSQHJNDNRLSSBN-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000629798846 356795635 /nfs/dbraw/zinc/79/56/35/356795635.db2.gz LSQHJNDNRLSSBN-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000629798846 356795638 /nfs/dbraw/zinc/79/56/38/356795638.db2.gz LSQHJNDNRLSSBN-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000629802454 356796039 /nfs/dbraw/zinc/79/60/39/356796039.db2.gz IBFINVUJRNDZQU-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000629812923 356798589 /nfs/dbraw/zinc/79/85/89/356798589.db2.gz XQBYNJDKUWPYME-AWEZNQCLSA-N 1 3 282.388 -0.652 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000629812923 356798593 /nfs/dbraw/zinc/79/85/93/356798593.db2.gz XQBYNJDKUWPYME-AWEZNQCLSA-N 1 3 282.388 -0.652 20 0 CBADHO CN(CCOCC[NH3+])CCN1C(=O)NC2(CCCC2)C1=O ZINC000629577828 356781627 /nfs/dbraw/zinc/78/16/27/356781627.db2.gz CYGRYLLXZXKXSH-UHFFFAOYSA-N 1 3 298.387 -0.242 20 0 CBADHO NC(=O)CC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629579258 356782843 /nfs/dbraw/zinc/78/28/43/356782843.db2.gz CWYICPZHEMHSAF-NSHDSACASA-N 1 3 255.362 -0.312 20 0 CBADHO OCC1(CNC[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000629583623 356783422 /nfs/dbraw/zinc/78/34/22/356783422.db2.gz GKNMJUGJNBPNBQ-ZDUSSCGKSA-N 1 3 272.389 -0.178 20 0 CBADHO OCCN1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629585034 356783523 /nfs/dbraw/zinc/78/35/23/356783523.db2.gz YKCIRKOJKCHCDY-CABCVRRESA-N 1 3 285.432 -0.121 20 0 CBADHO OCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000629585034 356783527 /nfs/dbraw/zinc/78/35/27/356783527.db2.gz YKCIRKOJKCHCDY-CABCVRRESA-N 1 3 285.432 -0.121 20 0 CBADHO OC[C@H](CNC[C@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000629583525 356784144 /nfs/dbraw/zinc/78/41/44/356784144.db2.gz BTYYEIGUDHFATK-IHRRRGAJSA-N 1 3 272.389 -0.322 20 0 CBADHO OCC[C@@]1(CNC[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583741 356784214 /nfs/dbraw/zinc/78/42/14/356784214.db2.gz DNUHQFDLDMDPHQ-KBPBESRZSA-N 1 3 272.389 -0.178 20 0 CBADHO CNS(=O)(=O)C[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000629595710 356784971 /nfs/dbraw/zinc/78/49/71/356784971.db2.gz VINGYSBNAJCYJL-NSHDSACASA-N 1 3 279.406 -0.777 20 0 CBADHO OC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000629598099 356785125 /nfs/dbraw/zinc/78/51/25/356785125.db2.gz WBMZACILBIDCTC-IHRRRGAJSA-N 1 3 272.389 -0.180 20 0 CBADHO COCCN(C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630897124 356866921 /nfs/dbraw/zinc/86/69/21/356866921.db2.gz VWWLUHCCJYZZJP-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CNCCO1 ZINC000630616673 356855311 /nfs/dbraw/zinc/85/53/11/356855311.db2.gz MRFIXAIRZBWAGH-GHMZBOCLSA-N 1 3 251.334 -0.267 20 0 CBADHO COC[C@H]([NH3+])Cc1cn(CCN2CCCC2)nn1 ZINC000630618061 356856296 /nfs/dbraw/zinc/85/62/96/356856296.db2.gz LMPJPYQKUYUJQT-LLVKDONJSA-N 1 3 253.350 -0.110 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000631901295 356918294 /nfs/dbraw/zinc/91/82/94/356918294.db2.gz YDQJKZNBRQAVNW-UHFFFAOYSA-N 1 3 263.407 -0.061 20 0 CBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNCC1(C)C ZINC000631906579 356921269 /nfs/dbraw/zinc/92/12/69/356921269.db2.gz QDFBVHIFSBMXEU-UHFFFAOYSA-N 1 3 290.433 -0.401 20 0 CBADHO C[C@@H]1C[C@H](NS(=O)(=O)CCCN(C)C)CC[NH2+]1 ZINC000631932310 356926105 /nfs/dbraw/zinc/92/61/05/356926105.db2.gz NIIXYUPKHFBCMZ-GHMZBOCLSA-N 1 3 263.407 -0.002 20 0 CBADHO C[C@@H]1C[C@@H](NS(=O)(=O)CCCN(C)C)CC[NH2+]1 ZINC000631932316 356926255 /nfs/dbraw/zinc/92/62/55/356926255.db2.gz NIIXYUPKHFBCMZ-MNOVXSKESA-N 1 3 263.407 -0.002 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000631938798 356928951 /nfs/dbraw/zinc/92/89/51/356928951.db2.gz MMNKWHXALZFHKQ-LLVKDONJSA-N 1 3 275.418 0.000 20 0 CBADHO C[NH2+]C[C@H](C)NS(=O)(=O)CCCN1CCCC1 ZINC000631952619 356932543 /nfs/dbraw/zinc/93/25/43/356932543.db2.gz NXZZTLJSANDHQC-NSHDSACASA-N 1 3 263.407 0.000 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106066 357047014 /nfs/dbraw/zinc/04/70/14/357047014.db2.gz GPEVPHWCTRGJKZ-XQQFMLRXSA-N 1 3 294.399 -0.498 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000633116747 357050055 /nfs/dbraw/zinc/05/00/55/357050055.db2.gz WZWLINKEKLXDTQ-UPJWGTAASA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000633117205 357050084 /nfs/dbraw/zinc/05/00/84/357050084.db2.gz AWHNWZOSWYDVAO-GHMZBOCLSA-N 1 3 282.388 -0.513 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000634765641 357134058 /nfs/dbraw/zinc/13/40/58/357134058.db2.gz XZEWIYWKEWUKHP-LBPRGKRZSA-N 1 3 268.405 -0.214 20 0 CBADHO CC1(OCC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CNC1 ZINC000634768384 357134119 /nfs/dbraw/zinc/13/41/19/357134119.db2.gz ICOPBQYIUVGRKY-MFKMUULPSA-N 1 3 253.346 -0.377 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768421 357134469 /nfs/dbraw/zinc/13/44/69/357134469.db2.gz JIRLBSUDRKSWTA-OSMZGAPFSA-N 1 3 282.388 -0.656 20 0 CBADHO CNS(=O)(=O)CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635003665 357142123 /nfs/dbraw/zinc/14/21/23/357142123.db2.gz APSVRCSPMISJNS-WDEREUQCSA-N 1 3 263.407 -0.097 20 0 CBADHO CNS(=O)(=O)CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000635003665 357142126 /nfs/dbraw/zinc/14/21/26/357142126.db2.gz APSVRCSPMISJNS-WDEREUQCSA-N 1 3 263.407 -0.097 20 0 CBADHO C[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000634999364 357142196 /nfs/dbraw/zinc/14/21/96/357142196.db2.gz SZFBSIYAISHJBU-VHSXEESVSA-N 1 3 266.345 -0.889 20 0 CBADHO C[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000634999362 357142363 /nfs/dbraw/zinc/14/23/63/357142363.db2.gz SZFBSIYAISHJBU-NXEZZACHSA-N 1 3 266.345 -0.889 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)n(C)cn1 ZINC000635502603 357170474 /nfs/dbraw/zinc/17/04/74/357170474.db2.gz ILYJAISDMAHYHD-UHFFFAOYSA-N 1 3 295.387 -0.654 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000635928431 357234757 /nfs/dbraw/zinc/23/47/57/357234757.db2.gz GHXHJHYGGWPXIK-MGPQQGTHSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000635928431 357234761 /nfs/dbraw/zinc/23/47/61/357234761.db2.gz GHXHJHYGGWPXIK-MGPQQGTHSA-N 1 3 281.400 -0.004 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635929700 357235430 /nfs/dbraw/zinc/23/54/30/357235430.db2.gz XNIMOBMNGWDDQJ-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636791363 357303532 /nfs/dbraw/zinc/30/35/32/357303532.db2.gz VUDAUNYHKSBUSX-YPMHNXCESA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636791363 357303534 /nfs/dbraw/zinc/30/35/34/357303534.db2.gz VUDAUNYHKSBUSX-YPMHNXCESA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636791361 357303853 /nfs/dbraw/zinc/30/38/53/357303853.db2.gz VUDAUNYHKSBUSX-DGCLKSJQSA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636791361 357303856 /nfs/dbraw/zinc/30/38/56/357303856.db2.gz VUDAUNYHKSBUSX-DGCLKSJQSA-N 1 3 282.388 -0.411 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000636140053 357267738 /nfs/dbraw/zinc/26/77/38/357267738.db2.gz MFDIPOCMKKXFOA-FRRDWIJNSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000636140053 357267744 /nfs/dbraw/zinc/26/77/44/357267744.db2.gz MFDIPOCMKKXFOA-FRRDWIJNSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@H](NC(=O)CN1CCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000637820959 357370937 /nfs/dbraw/zinc/37/09/37/357370937.db2.gz RTXUVXVITFUOBS-NWDGAFQWSA-N 1 3 254.378 -0.604 20 0 CBADHO COC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCCCN1 ZINC000637832193 357372969 /nfs/dbraw/zinc/37/29/69/357372969.db2.gz FYECUMCKAGDQKO-HNNXBMFYSA-N 1 3 298.431 -0.491 20 0 CBADHO CN(C)CCn1cc(C(=O)NCC[NH2+]C2CC2)cn1 ZINC000637828990 357373169 /nfs/dbraw/zinc/37/31/69/357373169.db2.gz VEDUCRMPDNIPLY-UHFFFAOYSA-N 1 3 265.361 -0.074 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000637835060 357374254 /nfs/dbraw/zinc/37/42/54/357374254.db2.gz JPCJVVWYSCISDQ-KGLIPLIRSA-N 1 3 296.415 -0.787 20 0 CBADHO CN(C)CCn1cc(C(=O)N(C)CCC[NH3+])cn1 ZINC000637852663 357377012 /nfs/dbraw/zinc/37/70/12/357377012.db2.gz GNQNCPVSKBNSTA-UHFFFAOYSA-N 1 3 253.350 -0.135 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637804940 357366478 /nfs/dbraw/zinc/36/64/78/357366478.db2.gz UKECHWKWHGJFDS-DMDPSCGWSA-N 1 3 279.340 -0.073 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637806402 357367918 /nfs/dbraw/zinc/36/79/18/357367918.db2.gz RVBTTWBCXJVUBM-VXGBXAGGSA-N 1 3 254.378 -0.380 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811488 357368601 /nfs/dbraw/zinc/36/86/01/357368601.db2.gz MFKOGCVFGJJSNJ-KBPBESRZSA-N 1 3 276.384 -0.076 20 0 CBADHO [NH3+]CC[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000638232177 357440562 /nfs/dbraw/zinc/44/05/62/357440562.db2.gz DTAOHCQWTCZNTF-GFCCVEGCSA-N 1 3 254.378 -0.379 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243932 357441864 /nfs/dbraw/zinc/44/18/64/357441864.db2.gz FESUBEFJOGDKRS-BARDWOONSA-N 1 3 288.395 -0.220 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC000638243033 357441980 /nfs/dbraw/zinc/44/19/80/357441980.db2.gz JQKLFJTYOBKZIN-HHHUOAJASA-N 1 3 251.330 -0.816 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(C)CC2)C1 ZINC000638049883 357406712 /nfs/dbraw/zinc/40/67/12/357406712.db2.gz HVMGNTDPXYCLCL-DGCLKSJQSA-N 1 3 255.362 -0.036 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638075065 357410965 /nfs/dbraw/zinc/41/09/65/357410965.db2.gz PXNIGZKOAXXJLP-WYUUTHIRSA-N 1 3 253.346 -0.154 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638075065 357410968 /nfs/dbraw/zinc/41/09/68/357410968.db2.gz PXNIGZKOAXXJLP-WYUUTHIRSA-N 1 3 253.346 -0.154 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638079938 357412318 /nfs/dbraw/zinc/41/23/18/357412318.db2.gz XHRBLLGHVVGWQA-OAHLLOKOSA-N 1 3 299.415 -0.031 20 0 CBADHO COCCN(C)CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638090921 357414168 /nfs/dbraw/zinc/41/41/68/357414168.db2.gz IWSNMZIWECFPPD-AAEUAGOBSA-N 1 3 273.377 -0.552 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638098909 357417438 /nfs/dbraw/zinc/41/74/38/357417438.db2.gz FAYFOTAWEJBBML-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638123566 357422026 /nfs/dbraw/zinc/42/20/26/357422026.db2.gz PUXSTEGOEMQPSN-AWEZNQCLSA-N 1 3 287.404 -0.174 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638120733 357422278 /nfs/dbraw/zinc/42/22/78/357422278.db2.gz CAQBKOWRHCPDDT-CQSZACIVSA-N 1 3 280.416 -0.164 20 0 CBADHO COC1CCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638126745 357423436 /nfs/dbraw/zinc/42/34/36/357423436.db2.gz ZBSZZXNWMWAREC-UHFFFAOYSA-N 1 3 284.404 -0.881 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638137785 357423782 /nfs/dbraw/zinc/42/37/82/357423782.db2.gz NMIMBRACLBGVRZ-HIFRSBDPSA-N 1 3 298.431 -0.493 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137347 357424235 /nfs/dbraw/zinc/42/42/35/357424235.db2.gz IWPOLAJQYKSCQC-AWEZNQCLSA-N 1 3 297.447 -0.966 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638137784 357424448 /nfs/dbraw/zinc/42/44/48/357424448.db2.gz NMIMBRACLBGVRZ-DZGCQCFKSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135912 357424500 /nfs/dbraw/zinc/42/45/00/357424500.db2.gz VSVXWQXGJRKUQN-AAEUAGOBSA-N 1 3 266.389 -0.510 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243939 357442912 /nfs/dbraw/zinc/44/29/12/357442912.db2.gz FESUBEFJOGDKRS-LJISPDSOSA-N 1 3 288.395 -0.220 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@]1(COC)CCCCN1 ZINC000638153000 357426966 /nfs/dbraw/zinc/42/69/66/357426966.db2.gz MYYSBEVZXOSCGT-CYBMUJFWSA-N 1 3 273.377 -0.503 20 0 CBADHO COCC[NH2+]CCNC(=O)c1cnn(CCN(C)C)c1 ZINC000638154992 357427549 /nfs/dbraw/zinc/42/75/49/357427549.db2.gz XMXITGHDBALBAS-UHFFFAOYSA-N 1 3 283.376 -0.590 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638210809 357435603 /nfs/dbraw/zinc/43/56/03/357435603.db2.gz KCLBCVCYNAHHMT-DGCLKSJQSA-N 1 3 264.373 -0.091 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCCNC(=O)C2)C1 ZINC000638571386 357495122 /nfs/dbraw/zinc/49/51/22/357495122.db2.gz PQRSZMWJFKLSGD-OLZOCXBDSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCCNC(=O)C2)C1 ZINC000638571386 357495127 /nfs/dbraw/zinc/49/51/27/357495127.db2.gz PQRSZMWJFKLSGD-OLZOCXBDSA-N 1 3 296.415 -0.168 20 0 CBADHO C[NH2+]CCOCCNC(=O)C[C@H]1CSCCN1 ZINC000638578375 357497283 /nfs/dbraw/zinc/49/72/83/357497283.db2.gz FDVIJLCCUCMYHK-JTQLQIEISA-N 1 3 261.391 -0.566 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@H]1CNCCC1(F)F ZINC000638591294 357499397 /nfs/dbraw/zinc/49/93/97/357499397.db2.gz GVSBTZXIXFZALY-SNVBAGLBSA-N 1 3 279.331 -0.074 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)CCOC1CNC1 ZINC000638591250 357499456 /nfs/dbraw/zinc/49/94/56/357499456.db2.gz FMEBWMGNMYFSNW-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638266921 357446277 /nfs/dbraw/zinc/44/62/77/357446277.db2.gz ODKNGIDAFSJWHM-NWDGAFQWSA-N 1 3 252.362 -0.898 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCNC(C)(C)C2)C1 ZINC000638270290 357446757 /nfs/dbraw/zinc/44/67/57/357446757.db2.gz GIPHYZPSMONCKG-GXFFZTMASA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC000638312407 357454891 /nfs/dbraw/zinc/45/48/91/357454891.db2.gz FTHAMKOWSCOHSN-QWHCGFSZSA-N 1 3 266.389 -0.556 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@@H]2C1 ZINC000638312405 357455667 /nfs/dbraw/zinc/45/56/67/357455667.db2.gz FTHAMKOWSCOHSN-CHWSQXEVSA-N 1 3 266.389 -0.556 20 0 CBADHO O=C(CN1CCNCC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638326892 357457943 /nfs/dbraw/zinc/45/79/43/357457943.db2.gz ADTKBZCMZZVRCU-UONOGXRCSA-N 1 3 280.416 -0.118 20 0 CBADHO C[C@@H]1CCN(C(=O)CN2CCNCC2)C[C@@H]1C[NH3+] ZINC000638342213 357460804 /nfs/dbraw/zinc/46/08/04/357460804.db2.gz LRSCKRLDZSZKSP-NEPJUHHUSA-N 1 3 254.378 -0.665 20 0 CBADHO C[C@H]1CC2(CN1C(=O)CN1CCNCC1)CC[NH2+]CC2 ZINC000638366450 357462227 /nfs/dbraw/zinc/46/22/27/357462227.db2.gz OQDWELXEAXOSNR-ZDUSSCGKSA-N 1 3 280.416 -0.118 20 0 CBADHO C[C@@H]1CCCN(C(=O)CN2CCNCC2)[C@H]1CC[NH3+] ZINC000638391623 357466902 /nfs/dbraw/zinc/46/69/02/357466902.db2.gz XHVZJAMNHMOGGL-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(CCN1CCCCC1)C(=O)CN1CC[NH2+]CC1 ZINC000638398247 357468546 /nfs/dbraw/zinc/46/85/46/357468546.db2.gz TWHAXHQVCHKXCL-UHFFFAOYSA-N 1 3 268.405 -0.164 20 0 CBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000638430603 357475806 /nfs/dbraw/zinc/47/58/06/357475806.db2.gz NAUVNYPGFHGIFU-VXGBXAGGSA-N 1 3 283.351 -0.044 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497703 357487402 /nfs/dbraw/zinc/48/74/02/357487402.db2.gz HJGIWWMJQILQSE-GHMZBOCLSA-N 1 3 253.346 -0.234 20 0 CBADHO CCN(CC[NH3+])C(=O)CCN1CCN(CC)CC1 ZINC000638519122 357492658 /nfs/dbraw/zinc/49/26/58/357492658.db2.gz RYXMYMBJXZAXML-UHFFFAOYSA-N 1 3 256.394 -0.179 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638537318 357493504 /nfs/dbraw/zinc/49/35/04/357493504.db2.gz YPBFQYQNAMEOLA-LOWVWBTDSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000638528776 357493575 /nfs/dbraw/zinc/49/35/75/357493575.db2.gz RURIJHQXRYVKKB-SNVBAGLBSA-N 1 3 266.349 -0.549 20 0 CBADHO C[C@H]1CCN[C@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540343 357493613 /nfs/dbraw/zinc/49/36/13/357493613.db2.gz ORMFPWDTEPPWJV-QWRGUYRKSA-N 1 3 255.362 -0.001 20 0 CBADHO COC[C@]1(C(=O)NCC2([NH3+])CCOCC2)CCCCN1 ZINC000638540920 357494118 /nfs/dbraw/zinc/49/41/18/357494118.db2.gz COXZALPRNASKOG-AWEZNQCLSA-N 1 3 285.388 -0.231 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643098 357514657 /nfs/dbraw/zinc/51/46/57/357514657.db2.gz KOWKUCCUDYPPNP-NHCYSSNCSA-N 1 3 270.377 -0.657 20 0 CBADHO [NH3+]CCCOCCNC(=O)[C@H]1CNCCC1(F)F ZINC000638663354 357517828 /nfs/dbraw/zinc/51/78/28/357517828.db2.gz MNMQKVAPGLXASJ-SECBINFHSA-N 1 3 265.304 -0.287 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638674539 357519250 /nfs/dbraw/zinc/51/92/50/357519250.db2.gz MGOJIDIOKIGVKJ-TYNCELHUSA-N 1 3 299.415 -0.047 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919984 357544089 /nfs/dbraw/zinc/54/40/89/357544089.db2.gz XBOILNNPSWQJCI-GRYCIOLGSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639022848 357554272 /nfs/dbraw/zinc/55/42/72/357554272.db2.gz RBUKIRYYYQEGSS-OLZOCXBDSA-N 1 3 266.389 -0.508 20 0 CBADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(N)nc1N ZINC000639307206 357566356 /nfs/dbraw/zinc/56/63/56/357566356.db2.gz QJFIICDQEGZGGY-NSHDSACASA-N 1 3 295.435 -0.337 20 0 CBADHO NS(=O)(=O)CCCN1CCC2(CC[NH2+]C2)CC1 ZINC000641799724 357743176 /nfs/dbraw/zinc/74/31/76/357743176.db2.gz SEESEBHAMPSYHV-UHFFFAOYSA-N 1 3 261.391 -0.260 20 0 CBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)NC1CNC1 ZINC000642247051 357751585 /nfs/dbraw/zinc/75/15/85/357751585.db2.gz JGRRMLCFBNCLFQ-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642330412 357753354 /nfs/dbraw/zinc/75/33/54/357753354.db2.gz GHRZFRIDMJURJN-QNWHQSFQSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642431207 357754302 /nfs/dbraw/zinc/75/43/02/357754302.db2.gz WOYZXRIWIZBLBO-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642431210 357754523 /nfs/dbraw/zinc/75/45/23/357754523.db2.gz WOYZXRIWIZBLBO-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000642440162 357755084 /nfs/dbraw/zinc/75/50/84/357755084.db2.gz XQNLKFSSNZEIOU-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000642439453 357755134 /nfs/dbraw/zinc/75/51/34/357755134.db2.gz HOCCTWKMOSLWRV-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000642439770 357755472 /nfs/dbraw/zinc/75/54/72/357755472.db2.gz OQWXXIDJQHDBEX-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000642439428 357755481 /nfs/dbraw/zinc/75/54/81/357755481.db2.gz GSRWKYXDQLWOFF-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000642732138 357760384 /nfs/dbraw/zinc/76/03/84/357760384.db2.gz FCCHEUXBPOHERP-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H](NC(=O)C(=O)NC1CNC1)C(C)(C)C[NH+](C)C ZINC000642762323 357761272 /nfs/dbraw/zinc/76/12/72/357761272.db2.gz IGJYQNCNXQAWCD-SECBINFHSA-N 1 3 270.377 -0.833 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642773403 357761510 /nfs/dbraw/zinc/76/15/10/357761510.db2.gz WOZOENYTXYYOER-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642773407 357761591 /nfs/dbraw/zinc/76/15/91/357761591.db2.gz WOZOENYTXYYOER-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785710 357761803 /nfs/dbraw/zinc/76/18/03/357761803.db2.gz DUZUKLQXRWKTSB-CHWSQXEVSA-N 1 3 296.415 -0.314 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785650 357761884 /nfs/dbraw/zinc/76/18/84/357761884.db2.gz AXYPCGJEWJNUGQ-QWHCGFSZSA-N 1 3 294.399 -0.560 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785711 357762671 /nfs/dbraw/zinc/76/26/71/357762671.db2.gz DUZUKLQXRWKTSB-OLZOCXBDSA-N 1 3 296.415 -0.314 20 0 CBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642786034 357762708 /nfs/dbraw/zinc/76/27/08/357762708.db2.gz XWVFNKUCGIZXOC-QWHCGFSZSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000642809772 357763747 /nfs/dbraw/zinc/76/37/47/357763747.db2.gz OUAWDVMRZUTQAU-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642907846 357766483 /nfs/dbraw/zinc/76/64/83/357766483.db2.gz IEYICGRGASGCHN-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904543 357766566 /nfs/dbraw/zinc/76/65/66/357766566.db2.gz YNMFRVGYPIOQOP-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N1CCC[C@H](C)C1 ZINC000642909368 357767205 /nfs/dbraw/zinc/76/72/05/357767205.db2.gz LMZPSTXATZKJSE-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919117 357770444 /nfs/dbraw/zinc/77/04/44/357770444.db2.gz ORGUKNKJQINHKL-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)C[C@@H]1O ZINC000642935707 357771384 /nfs/dbraw/zinc/77/13/84/357771384.db2.gz AVSRVESBCRBPFL-STQMWFEESA-N 1 3 284.404 -0.211 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643471903 357784146 /nfs/dbraw/zinc/78/41/46/357784146.db2.gz PEKYGBXBDLMMQD-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC1(C)NC(=O)N(CC[NH2+]CC2(N)CCC2)C1=O ZINC000342174641 216248223 /nfs/dbraw/zinc/24/82/23/216248223.db2.gz VHJVWZMWHFFRSL-UHFFFAOYSA-N 1 3 254.334 -0.212 20 0 CBADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000062973502 296072018 /nfs/dbraw/zinc/07/20/18/296072018.db2.gz CJKWUIOLBDGFKV-AVGNSLFASA-N 1 3 267.373 -0.204 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCC1CC[NH2+]CC1 ZINC000574150005 334995748 /nfs/dbraw/zinc/99/57/48/334995748.db2.gz ODFDMHAUZMLWOK-GFCCVEGCSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000574340144 335012360 /nfs/dbraw/zinc/01/23/60/335012360.db2.gz WFKVYGLXVOIFGR-RHYQMDGZSA-N 1 3 280.372 -0.855 20 0 CBADHO CN(CCCN(C)[C@@H]1CCNC1=O)CC[NH+](C)C ZINC000344064440 217035033 /nfs/dbraw/zinc/03/50/33/217035033.db2.gz OECDMQSXTFKOTA-GFCCVEGCSA-N 1 3 256.394 -0.310 20 0 CBADHO COC[C@]1(CNC(=O)C(N)C(F)(F)F)CCC[NH2+]1 ZINC000353426628 220075265 /nfs/dbraw/zinc/07/52/65/220075265.db2.gz JXKPOHZBOLZCGA-IONNQARKSA-N 1 3 269.267 -0.239 20 0 CBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN(C)C)CC1 ZINC000163100654 372824981 /nfs/dbraw/zinc/82/49/81/372824981.db2.gz WAMLAAMEQOPRDR-ZDUSSCGKSA-N 1 3 270.421 -0.062 20 0 CBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000353449620 220089435 /nfs/dbraw/zinc/08/94/35/220089435.db2.gz NVXPTIPMXBBLLD-QWHCGFSZSA-N 1 3 287.404 -0.081 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000178877582 372840222 /nfs/dbraw/zinc/84/02/22/372840222.db2.gz RQMNTPSSCKZQRK-KBPBESRZSA-N 1 3 282.432 -0.014 20 0 CBADHO CC[N@H+](CCNC(=O)CNC(=O)[C@@H](N)C(C)C)C1CC1 ZINC000219036247 372871288 /nfs/dbraw/zinc/87/12/88/372871288.db2.gz XEPRTHSWTRBMJQ-ZDUSSCGKSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@@H+](CCNC(=O)CNC(=O)[C@@H](N)C(C)C)C1CC1 ZINC000219036247 372871294 /nfs/dbraw/zinc/87/12/94/372871294.db2.gz XEPRTHSWTRBMJQ-ZDUSSCGKSA-N 1 3 284.404 -0.314 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461486 220095794 /nfs/dbraw/zinc/09/57/94/220095794.db2.gz RFISOYIETGRXFL-QMMMGPOBSA-N 1 3 271.283 -0.040 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461486 220095796 /nfs/dbraw/zinc/09/57/96/220095796.db2.gz RFISOYIETGRXFL-QMMMGPOBSA-N 1 3 271.283 -0.040 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)NCCN1CC[NH2+]CC1 ZINC000333282515 205181707 /nfs/dbraw/zinc/18/17/07/205181707.db2.gz MSQZJMUIPWPHCW-CYBMUJFWSA-N 1 3 283.420 -0.373 20 0 CBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332669233 373004708 /nfs/dbraw/zinc/00/47/08/373004708.db2.gz RKSHPLMQXZMRSH-NEPJUHHUSA-N 1 3 280.372 -0.757 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000333424642 373009422 /nfs/dbraw/zinc/00/94/22/373009422.db2.gz SZVDJJCYLWXILA-WXHSDQCUSA-N 1 3 282.388 -0.162 20 0 CBADHO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N(C)C ZINC000354700567 373119092 /nfs/dbraw/zinc/11/90/92/373119092.db2.gz WYIUIMRODNYGPP-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(C)C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000353571131 220163570 /nfs/dbraw/zinc/16/35/70/220163570.db2.gz RBLYFPRIPXPNRI-LLVKDONJSA-N 1 3 280.372 -0.533 20 0 CBADHO CN(C)C[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000353571131 220163571 /nfs/dbraw/zinc/16/35/71/220163571.db2.gz RBLYFPRIPXPNRI-LLVKDONJSA-N 1 3 280.372 -0.533 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000353581245 220172182 /nfs/dbraw/zinc/17/21/82/220172182.db2.gz NJKDIMSOWOEYBI-WDEREUQCSA-N 1 3 275.418 -0.096 20 0 CBADHO CC(C)N1CCC([NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC000362323179 373392897 /nfs/dbraw/zinc/39/28/97/373392897.db2.gz NMVQKINKUDCXDR-UHFFFAOYSA-N 1 3 292.449 -0.155 20 0 CBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333669 373523379 /nfs/dbraw/zinc/52/33/79/373523379.db2.gz YQOCELAMSDVQCB-FIQHERPVSA-N 1 3 253.346 -0.596 20 0 CBADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291998 373576138 /nfs/dbraw/zinc/57/61/38/373576138.db2.gz OLJFBDSPLKMBKL-UMSGYPCISA-N 1 3 267.373 -0.206 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417096215 373627826 /nfs/dbraw/zinc/62/78/26/373627826.db2.gz VTKXABMMWKTQOD-QWRGUYRKSA-N 1 3 260.382 -0.010 20 0 CBADHO CCN(CCNC(=O)NC[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000417432862 373627936 /nfs/dbraw/zinc/62/79/36/373627936.db2.gz UIWSFRJDBNRHGR-CYBMUJFWSA-N 1 3 283.420 -0.327 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032406 373636145 /nfs/dbraw/zinc/63/61/45/373636145.db2.gz WMQLSZWONGXIHN-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)CN)C[NH+]1CCCCC1 ZINC000420032734 373647169 /nfs/dbraw/zinc/64/71/69/373647169.db2.gz UTUMIDWTMMXDPG-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C[NH3+])CC2)CC1 ZINC000430606016 373673021 /nfs/dbraw/zinc/67/30/21/373673021.db2.gz VFOJJPYTRUVFRK-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454433623 373693158 /nfs/dbraw/zinc/69/31/58/373693158.db2.gz KRVFZIPGQTUFHJ-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2COC[C@H]2O)CC1 ZINC000463080928 373695387 /nfs/dbraw/zinc/69/53/87/373695387.db2.gz AQLJPSWFSMFTMK-KWCYVHTRSA-N 1 3 272.389 -0.229 20 0 CBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277522 373698711 /nfs/dbraw/zinc/69/87/11/373698711.db2.gz YQOCELAMSDVQCB-NNYUYHANSA-N 1 3 253.346 -0.596 20 0 CBADHO CC[C@@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000514933931 373770610 /nfs/dbraw/zinc/77/06/10/373770610.db2.gz AIUIEOUJOPZCPJ-XQQFMLRXSA-N 1 3 296.415 -0.170 20 0 CBADHO COCCNCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000514864168 373767465 /nfs/dbraw/zinc/76/74/65/373767465.db2.gz ZZAYZXMMWBLMSC-UHFFFAOYSA-N 1 3 251.330 -0.003 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000516285756 373810217 /nfs/dbraw/zinc/81/02/17/373810217.db2.gz YGNVSCQHRIEEQS-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000520219126 373830058 /nfs/dbraw/zinc/83/00/58/373830058.db2.gz VREIQQGXYLICCJ-UONOGXRCSA-N 1 3 276.384 -0.424 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000515812794 373795920 /nfs/dbraw/zinc/79/59/20/373795920.db2.gz BBIVQJKPJXWXDN-NSHDSACASA-N 1 3 268.361 -0.985 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000516065943 373802282 /nfs/dbraw/zinc/80/22/82/373802282.db2.gz ZIYOWUFKUYUPJW-NSHDSACASA-N 1 3 271.361 -0.321 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000574451848 335020714 /nfs/dbraw/zinc/02/07/14/335020714.db2.gz QDJLAQRQWTWSOG-ZFWWWQNUSA-N 1 3 288.395 -0.107 20 0 CBADHO NC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC1 ZINC000521626171 373847426 /nfs/dbraw/zinc/84/74/26/373847426.db2.gz QJGYCFQYGBSXRW-UHFFFAOYSA-N 1 3 298.368 -0.647 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000574453056 335021021 /nfs/dbraw/zinc/02/10/21/335021021.db2.gz UDRBJMRGQCYYQC-KOLCDFICSA-N 1 3 258.366 -0.815 20 0 CBADHO [NH3+]CC1(NC(=O)N[C@H]2CNCCC2(F)F)CCOCC1 ZINC000529344416 374008942 /nfs/dbraw/zinc/00/89/42/374008942.db2.gz YRNHNXQNMBGTPF-VIFPVBQESA-N 1 3 292.330 -0.209 20 0 CBADHO O=C(N1CCNCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000530220733 374066988 /nfs/dbraw/zinc/06/69/88/374066988.db2.gz AOAQQBATVVOVHR-UHFFFAOYSA-N 1 3 295.431 -0.371 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CN(C)CCO1 ZINC000531252130 374121298 /nfs/dbraw/zinc/12/12/98/374121298.db2.gz NCBDZKQDNZMQSS-CYBMUJFWSA-N 1 3 286.420 -0.731 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccn(C)c1=O ZINC000531357544 374132025 /nfs/dbraw/zinc/13/20/25/374132025.db2.gz YNLGCUXGNCKLRN-UHFFFAOYSA-N 1 3 294.399 -0.049 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000532001197 374155460 /nfs/dbraw/zinc/15/54/60/374155460.db2.gz MYBDVPNLRGCJIO-GFCCVEGCSA-N 1 3 299.419 -0.648 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1ccnn1 ZINC000549184341 374223796 /nfs/dbraw/zinc/22/37/96/374223796.db2.gz JVAJIYIQUMDZES-UHFFFAOYSA-N 1 3 282.392 -0.380 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@@H]21 ZINC000566561413 374330920 /nfs/dbraw/zinc/33/09/20/374330920.db2.gz YETKVQSKHSBRHH-MROQNXINSA-N 1 3 267.373 -0.049 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@@H]2C1 ZINC000583320411 374361186 /nfs/dbraw/zinc/36/11/86/374361186.db2.gz SJDHNZUCBGZMQR-DGCLKSJQSA-N 1 3 267.373 -0.083 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583321129 374362108 /nfs/dbraw/zinc/36/21/08/374362108.db2.gz LXNFPBSFKMXTJA-GFCCVEGCSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583764173 374368140 /nfs/dbraw/zinc/36/81/40/374368140.db2.gz ZHGXCUCTXTZNCM-QJPTWQEYSA-N 1 3 254.378 -0.396 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)nn1 ZINC000643801157 374430046 /nfs/dbraw/zinc/43/00/46/374430046.db2.gz DXXVRCNENBEMJX-MXWKQRLJSA-N 1 3 264.333 -0.753 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000574524618 335026976 /nfs/dbraw/zinc/02/69/76/335026976.db2.gz DQSNKPIEVZDNTB-ZIAGYGMSSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000574524618 335026977 /nfs/dbraw/zinc/02/69/77/335026977.db2.gz DQSNKPIEVZDNTB-ZIAGYGMSSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000574524618 335026979 /nfs/dbraw/zinc/02/69/79/335026979.db2.gz DQSNKPIEVZDNTB-ZIAGYGMSSA-N 1 3 271.405 -0.389 20 0 CBADHO COCCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000644554022 374592808 /nfs/dbraw/zinc/59/28/08/374592808.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554022 374592813 /nfs/dbraw/zinc/59/28/13/374592813.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554022 374592817 /nfs/dbraw/zinc/59/28/17/374592817.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000644548883 374593313 /nfs/dbraw/zinc/59/33/13/374593313.db2.gz UHKGZQNYNMNYBY-DZGCQCFKSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000644548883 374593318 /nfs/dbraw/zinc/59/33/18/374593318.db2.gz UHKGZQNYNMNYBY-DZGCQCFKSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644548883 374593326 /nfs/dbraw/zinc/59/33/26/374593326.db2.gz UHKGZQNYNMNYBY-DZGCQCFKSA-N 1 3 284.448 -0.333 20 0 CBADHO CN1CCC(N2CC[C@H]([NH2+]CCC(N)=O)C2)CC1 ZINC000644561943 374595145 /nfs/dbraw/zinc/59/51/45/374595145.db2.gz JYWBYVZBPCAAPB-NSHDSACASA-N 1 3 254.378 -0.380 20 0 CBADHO COC[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000644677958 374608513 /nfs/dbraw/zinc/60/85/13/374608513.db2.gz RQVWFKKWZKGHHR-CYBMUJFWSA-N 1 3 259.394 -0.391 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000645891279 374710996 /nfs/dbraw/zinc/71/09/96/374710996.db2.gz NQMJKTSVAPLPNZ-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000645905741 374712571 /nfs/dbraw/zinc/71/25/71/374712571.db2.gz ZUSOPGXNDZPBEJ-LLVKDONJSA-N 1 3 259.350 -0.811 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646003145 374725186 /nfs/dbraw/zinc/72/51/86/374725186.db2.gz UKCFQNLKAZEZFE-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646003123 374725209 /nfs/dbraw/zinc/72/52/09/374725209.db2.gz SQEURUSZXQEPMA-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO C[NH2+]CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000646680228 374803723 /nfs/dbraw/zinc/80/37/23/374803723.db2.gz ATXVABGVYZJLDS-OPQQBVKSSA-N 1 3 255.362 -0.146 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H](C)CN1 ZINC000646298133 374768375 /nfs/dbraw/zinc/76/83/75/374768375.db2.gz DNOQROANWUTBMR-IJLUTSLNSA-N 1 3 292.387 -0.148 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000646336596 374770893 /nfs/dbraw/zinc/77/08/93/374770893.db2.gz YUIYPCORONRVJC-UHTWSYAYSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336392 374771226 /nfs/dbraw/zinc/77/12/26/374771226.db2.gz QTMWYAPVIQIYGP-UTUOFQBUSA-N 1 3 253.346 -0.425 20 0 CBADHO CCN1CCN(CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000646412021 374777690 /nfs/dbraw/zinc/77/76/90/374777690.db2.gz WFTPHEBPPNVGAO-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO CCC[C@](C)(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000646576207 374790868 /nfs/dbraw/zinc/79/08/68/374790868.db2.gz GGPGCRHOYWICBT-ZDUSSCGKSA-N 1 3 256.394 -0.085 20 0 CBADHO COCC1(CNC(=O)C[C@H]2CNCCO2)CC[NH2+]CC1 ZINC000647037943 374866335 /nfs/dbraw/zinc/86/63/35/374866335.db2.gz ILHOJWUSVBKMTO-LBPRGKRZSA-N 1 3 285.388 -0.503 20 0 CBADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CNCCO1 ZINC000647086475 374884207 /nfs/dbraw/zinc/88/42/07/374884207.db2.gz QBKMAUNNPAVOPG-QJPTWQEYSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CCOC1CNC1)N1CCC2(CC[NH2+]2)CC1 ZINC000647095523 374886078 /nfs/dbraw/zinc/88/60/78/374886078.db2.gz QZVGXYFSGVBURM-UHFFFAOYSA-N 1 3 253.346 -0.281 20 0 CBADHO CC[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000647014959 374860457 /nfs/dbraw/zinc/86/04/57/374860457.db2.gz DINMLCLKSRADJN-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574584333 335031984 /nfs/dbraw/zinc/03/19/84/335031984.db2.gz FWAXYHDULXIWTM-WOPDTQHZSA-N 1 3 297.403 -0.543 20 0 CBADHO CN(CC(=O)NC1CCN(C2CC2)CC1)C1C[NH2+]C1 ZINC000357081700 248320142 /nfs/dbraw/zinc/32/01/42/248320142.db2.gz NWRFLCBQGLLCPR-UHFFFAOYSA-N 1 3 266.389 -0.367 20 0 CBADHO O=C1CNC(=O)N1CCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093408 248322917 /nfs/dbraw/zinc/32/29/17/248322917.db2.gz YHHPQBYAZXTKDC-GFCCVEGCSA-N 1 3 280.372 -0.140 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000357235313 248337619 /nfs/dbraw/zinc/33/76/19/248337619.db2.gz BOUAZKAXWFSFBJ-LBPRGKRZSA-N 1 3 284.404 -0.406 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357303235 248348808 /nfs/dbraw/zinc/34/88/08/248348808.db2.gz IHQZEVWIQLQANE-VCDKRKBESA-N 1 3 284.404 -0.411 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574680998 335039027 /nfs/dbraw/zinc/03/90/27/335039027.db2.gz WPKQHVCGTASUHM-STQMWFEESA-N 1 3 283.420 -0.374 20 0 CBADHO O=C(Nc1cnc2c(c1)CNCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653128010 412885013 /nfs/dbraw/zinc/88/50/13/412885013.db2.gz HKZAHWPXMFEJLN-NHYWBVRUSA-N 1 3 288.351 -0.098 20 0 CBADHO [NH3+][C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)C1CC1 ZINC000418494363 295294765 /nfs/dbraw/zinc/29/47/65/295294765.db2.gz XSZZPDNRPRICAU-OLZOCXBDSA-N 1 3 284.404 -0.130 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCCC[NH2+]C ZINC000418920801 284702459 /nfs/dbraw/zinc/70/24/59/284702459.db2.gz BZMCPBMHLUNCIJ-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000347186987 218150125 /nfs/dbraw/zinc/15/01/25/218150125.db2.gz FTIMUSCBQGIDQV-GFCCVEGCSA-N 1 3 274.409 -0.060 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417439658 207555430 /nfs/dbraw/zinc/55/54/30/207555430.db2.gz MMAWOZKCMUQOQR-NSHDSACASA-N 1 3 258.366 -0.399 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CC[NH3+])N1CCC(C)CC1 ZINC000419142932 207649320 /nfs/dbraw/zinc/64/93/20/207649320.db2.gz CUZQKDRTJBXGBX-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000167264281 285019582 /nfs/dbraw/zinc/01/95/82/285019582.db2.gz NYUJJKBTINFXNY-CYBMUJFWSA-N 1 3 299.415 -0.018 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237092321 285035763 /nfs/dbraw/zinc/03/57/63/285035763.db2.gz ILRUQAYUVUWIGJ-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCNCCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377806686 533027290 /nfs/dbraw/zinc/02/72/90/533027290.db2.gz ICBSMCJPCXZCDG-NWDGAFQWSA-N 1 3 257.378 -0.027 20 0 CBADHO COCCNCCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000376817217 533027577 /nfs/dbraw/zinc/02/75/77/533027577.db2.gz ALFAVXAIWLVHLK-CYBMUJFWSA-N 1 3 273.377 -0.645 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000429166887 208113494 /nfs/dbraw/zinc/11/34/94/208113494.db2.gz KDJQGWSZMMAMRY-NWDGAFQWSA-N 1 3 284.404 -0.504 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430729637 208175555 /nfs/dbraw/zinc/17/55/55/208175555.db2.gz HBETUTMURFCMCY-RYUDHWBXSA-N 1 3 271.361 -0.798 20 0 CBADHO O=C(COC1CNC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000430673485 208171587 /nfs/dbraw/zinc/17/15/87/208171587.db2.gz CYAFUPLPVQTLTK-VXGBXAGGSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(COC1CNC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430673485 208171593 /nfs/dbraw/zinc/17/15/93/208171593.db2.gz CYAFUPLPVQTLTK-VXGBXAGGSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(COC1CNC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000430813878 208183919 /nfs/dbraw/zinc/18/39/19/208183919.db2.gz GKWKLYWAUJBWSE-GFCCVEGCSA-N 1 3 267.373 -0.081 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCCN2)C1 ZINC000430886509 208187767 /nfs/dbraw/zinc/18/77/67/208187767.db2.gz AMQDAQDCVXHRCZ-STQMWFEESA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCCN2)C1 ZINC000430886509 208187772 /nfs/dbraw/zinc/18/77/72/208187772.db2.gz AMQDAQDCVXHRCZ-STQMWFEESA-N 1 3 296.415 -0.168 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCN(C)CC[C@H]1C ZINC000418571706 285078661 /nfs/dbraw/zinc/07/86/61/285078661.db2.gz ZDXHOOKAQICGBC-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000431002863 208194889 /nfs/dbraw/zinc/19/48/89/208194889.db2.gz CCLUYUCCHWPYCH-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO Cn1c(CN2CCC3(CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000431021540 208199762 /nfs/dbraw/zinc/19/97/62/208199762.db2.gz JZMNNTURDWEXQF-UHFFFAOYSA-N 1 3 292.383 -0.341 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431027770 208202227 /nfs/dbraw/zinc/20/22/27/208202227.db2.gz KVVFKDTYXCBGLH-KGLIPLIRSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@@H]1NCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000434668842 208264533 /nfs/dbraw/zinc/26/45/33/208264533.db2.gz DFPDTDGRGKBICF-SRVKXCTJSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1CN ZINC000574862101 335052980 /nfs/dbraw/zinc/05/29/80/335052980.db2.gz CPPMGIVNBIHIDX-VXGBXAGGSA-N 1 3 271.409 -0.356 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(C)=O ZINC000338093346 285243718 /nfs/dbraw/zinc/24/37/18/285243718.db2.gz NCZAXIDRKVQDML-CQSZACIVSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(C)=O ZINC000338093346 285243719 /nfs/dbraw/zinc/24/37/19/285243719.db2.gz NCZAXIDRKVQDML-CQSZACIVSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419980819 285255966 /nfs/dbraw/zinc/25/59/66/285255966.db2.gz RJZFNJBXEATJNW-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COC1CNC1 ZINC000430730875 285271275 /nfs/dbraw/zinc/27/12/75/285271275.db2.gz UBQJOYRGBVXWIZ-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)COC1CNC1 ZINC000430730875 285271276 /nfs/dbraw/zinc/27/12/76/285271276.db2.gz UBQJOYRGBVXWIZ-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(C)=O ZINC000338093345 285276405 /nfs/dbraw/zinc/27/64/05/285276405.db2.gz NCZAXIDRKVQDML-AWEZNQCLSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(C)=O ZINC000338093345 285276406 /nfs/dbraw/zinc/27/64/06/285276406.db2.gz NCZAXIDRKVQDML-AWEZNQCLSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011284 285285024 /nfs/dbraw/zinc/28/50/24/285285024.db2.gz YQJTXITZNLIWDO-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[NH2+]C2)CC1 ZINC000179091802 285315593 /nfs/dbraw/zinc/31/55/93/285315593.db2.gz XGDXEHYRZPOXRK-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236884275 285322205 /nfs/dbraw/zinc/32/22/05/285322205.db2.gz LMSLUGXWRHVLFJ-ZIAGYGMSSA-N 1 3 282.432 -0.014 20 0 CBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)CNC[C@H]2CCCO2)C1 ZINC000575058743 335060476 /nfs/dbraw/zinc/06/04/76/335060476.db2.gz SFKOBZBLVCKOJR-GRYCIOLGSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC1=O ZINC000179085862 289157862 /nfs/dbraw/zinc/15/78/62/289157862.db2.gz KFEVLSVVUUJQHM-VXGBXAGGSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)CCO1 ZINC000332452819 289197805 /nfs/dbraw/zinc/19/78/05/289197805.db2.gz HQRVGHCDADUGFA-LLVKDONJSA-N 1 3 270.377 -0.160 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000091313346 289370085 /nfs/dbraw/zinc/37/00/85/289370085.db2.gz YFNZOAYAKFQXHZ-RYUDHWBXSA-N 1 3 255.362 -0.083 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(N)=O)CC1 ZINC000247193304 287086320 /nfs/dbraw/zinc/08/63/20/287086320.db2.gz OGMONRTZDITQTC-GHMZBOCLSA-N 1 3 257.378 -0.115 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030613 298657734 /nfs/dbraw/zinc/65/77/34/298657734.db2.gz UBYHNKDNTYHFID-JHJVBQTASA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332092140 287218379 /nfs/dbraw/zinc/21/83/79/287218379.db2.gz BSQMQVNRZAVKMZ-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO CCCN1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC000006879339 170252300 /nfs/dbraw/zinc/25/23/00/170252300.db2.gz WKEDNEIGQKBLPW-UHFFFAOYSA-N 1 3 263.407 0.000 20 0 CBADHO CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H](C)[NH3+] ZINC000662750123 413992105 /nfs/dbraw/zinc/99/21/05/413992105.db2.gz PWDAPROYDRSEFF-UFBFGSQYSA-N 1 3 281.360 -0.124 20 0 CBADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@H]1F ZINC000662750645 413992136 /nfs/dbraw/zinc/99/21/36/413992136.db2.gz WDBNYAOXEVIRAT-XNDJQWLSSA-N 1 3 257.309 -0.880 20 0 CBADHO CC(C)[NH+](CCNC(=O)C(=O)NCCN)C(C)C ZINC000037243450 173059074 /nfs/dbraw/zinc/05/90/74/173059074.db2.gz ZPGVJLAFTXZEAJ-UHFFFAOYSA-N 1 3 258.366 -0.704 20 0 CBADHO CN(C(=O)CN)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899508 414061658 /nfs/dbraw/zinc/06/16/58/414061658.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(C(=O)CN)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899508 414061664 /nfs/dbraw/zinc/06/16/64/414061664.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000418758247 298967965 /nfs/dbraw/zinc/96/79/65/298967965.db2.gz FISCHDBSMHYBCB-TUAOUCFPSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCN(C)C2CC2)[C@H]1C[NH3+] ZINC000419097557 287325542 /nfs/dbraw/zinc/32/55/42/287325542.db2.gz GANOCSQGQDGDAH-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO COCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000078802676 177390403 /nfs/dbraw/zinc/39/04/03/177390403.db2.gz ZWOMIVHJOCNWTG-UHFFFAOYSA-N 1 3 260.382 -0.232 20 0 CBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830813 287389161 /nfs/dbraw/zinc/38/91/61/287389161.db2.gz GWRVDPUOIIDJAP-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000354694751 227073298 /nfs/dbraw/zinc/07/32/98/227073298.db2.gz QTPKLFYMSIERBI-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698324 544436739 /nfs/dbraw/zinc/43/67/39/544436739.db2.gz YZLVQTYWWXGCDS-JTQLQIEISA-N 1 3 266.349 -0.549 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000092955651 544441419 /nfs/dbraw/zinc/44/14/19/544441419.db2.gz GTEJOTJXJKMDJJ-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CC1(OCC(=O)NCCC[NH+]2CCCC2)CNC1 ZINC000098061578 544446840 /nfs/dbraw/zinc/44/68/40/544446840.db2.gz BCWSDFBRECGRJJ-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO C[NH+](C)C1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000098061797 544447014 /nfs/dbraw/zinc/44/70/14/544447014.db2.gz KCCPTDWVAGEJAL-UHFFFAOYSA-N 1 3 255.362 -0.083 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1C ZINC000098061766 544447150 /nfs/dbraw/zinc/44/71/50/544447150.db2.gz CIMVPKGJBVRQDZ-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[N@H+]1C ZINC000098061766 544447153 /nfs/dbraw/zinc/44/71/53/544447153.db2.gz CIMVPKGJBVRQDZ-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO CNC(=O)CCN(C)[C@H](C)CC[N@H+](C)CCC(=O)NC ZINC000178301843 544481812 /nfs/dbraw/zinc/48/18/12/544481812.db2.gz DBMGAYOLYAQFOL-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CNC(=O)CCN(C)[C@H](C)CC[N@@H+](C)CCC(=O)NC ZINC000178301843 544481816 /nfs/dbraw/zinc/48/18/16/544481816.db2.gz DBMGAYOLYAQFOL-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333729386 544545632 /nfs/dbraw/zinc/54/56/32/544545632.db2.gz HPXLAXPLSOJONC-IHRRRGAJSA-N 1 3 296.415 -0.023 20 0 CBADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CNC(=O)C1 ZINC000660560137 419408760 /nfs/dbraw/zinc/40/87/60/419408760.db2.gz KBKPZIGCOHFWEA-CYBMUJFWSA-N 1 3 270.421 -0.062 20 0 CBADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CNC(=O)C1 ZINC000660560137 419408769 /nfs/dbraw/zinc/40/87/69/419408769.db2.gz KBKPZIGCOHFWEA-CYBMUJFWSA-N 1 3 270.421 -0.062 20 0 CBADHO C[NH+](C)CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037826143 419412837 /nfs/dbraw/zinc/41/28/37/419412837.db2.gz FSFRSDNXDYVCKT-UHFFFAOYSA-N 1 3 268.405 -0.308 20 0 CBADHO CC(C)[C@@H](CNC(=O)CC[NH3+])N1CCN(C)CC1 ZINC000040770528 419418232 /nfs/dbraw/zinc/41/82/32/419418232.db2.gz PNXHQNYESOLOPE-GFCCVEGCSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(C)c1 ZINC000103211241 419479539 /nfs/dbraw/zinc/47/95/39/419479539.db2.gz WGJYLWCMCHGIEO-UHFFFAOYSA-N 1 3 267.377 -0.015 20 0 CBADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC000625864174 419430794 /nfs/dbraw/zinc/43/07/94/419430794.db2.gz QWZSNUCQFDJRCU-SNVBAGLBSA-N 1 3 266.349 -0.072 20 0 CBADHO O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)N1CCNCC1 ZINC000062980248 419464661 /nfs/dbraw/zinc/46/46/61/419464661.db2.gz XYIBZFGQKNOUDT-CQSZACIVSA-N 1 3 280.416 -0.022 20 0 CBADHO O=C(CC[N@@H+]1CC[C@@H](N2CCCC2)C1)N1CCNCC1 ZINC000062980248 419464667 /nfs/dbraw/zinc/46/46/67/419464667.db2.gz XYIBZFGQKNOUDT-CQSZACIVSA-N 1 3 280.416 -0.022 20 0 CBADHO O=C(CC[N@H+]1CC[C@@H](N2CCCC2)C1)N1CCNCC1 ZINC000062980248 419464677 /nfs/dbraw/zinc/46/46/77/419464677.db2.gz XYIBZFGQKNOUDT-CQSZACIVSA-N 1 3 280.416 -0.022 20 0 CBADHO COC[C@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])OC ZINC000662271682 419567454 /nfs/dbraw/zinc/56/74/54/419567454.db2.gz IKQFALGCOHASSY-OLZOCXBDSA-N 1 3 287.404 -0.033 20 0 CBADHO CCN[C@@H](C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000638088289 419525070 /nfs/dbraw/zinc/52/50/70/419525070.db2.gz FIKBNHZIKLRGSQ-JTQLQIEISA-N 1 3 253.350 0.381 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)n1 ZINC000638088773 419527764 /nfs/dbraw/zinc/52/77/64/419527764.db2.gz KBJBASWENSNGJG-CQSZACIVSA-N 1 3 295.387 0.139 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000192753985 419538138 /nfs/dbraw/zinc/53/81/38/419538138.db2.gz ZMFODVCWQZQGCW-LLVKDONJSA-N 1 3 257.378 -0.243 20 0 CBADHO CCN1CC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244509 419558790 /nfs/dbraw/zinc/55/87/90/419558790.db2.gz RAFGYSHIIASIGT-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CN1CCC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245201 419559971 /nfs/dbraw/zinc/55/99/71/419559971.db2.gz RZZIMJLYIOXLTG-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662248231 419562843 /nfs/dbraw/zinc/56/28/43/419562843.db2.gz WPESHRYVEGPZBO-SDDRHHMPSA-N 1 3 255.362 -0.445 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CN1CCNCC1 ZINC000220109761 419564425 /nfs/dbraw/zinc/56/44/25/419564425.db2.gz CRQGWOHSKOOLPG-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCNCC1 ZINC000220109761 419564436 /nfs/dbraw/zinc/56/44/36/419564436.db2.gz CRQGWOHSKOOLPG-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CC1(C)CN[C@@H]1C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000644113989 419564699 /nfs/dbraw/zinc/56/46/99/419564699.db2.gz YTYNNBUQTCCDAE-GXSJLCMTSA-N 1 3 263.345 0.354 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)CN1CCNCC1 ZINC000220032376 419564830 /nfs/dbraw/zinc/56/48/30/419564830.db2.gz FHGJXUWBEDFDDF-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)CN1CCNCC1 ZINC000220032376 419564837 /nfs/dbraw/zinc/56/48/37/419564837.db2.gz FHGJXUWBEDFDDF-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO C[C@@H](CNC(=O)COC1(C)CNC1)[N@H+](C)C1CC1 ZINC000219044011 419564861 /nfs/dbraw/zinc/56/48/61/419564861.db2.gz FUZNFTVXTGQYNJ-JTQLQIEISA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H](CNC(=O)COC1(C)CNC1)[N@@H+](C)C1CC1 ZINC000219044011 419564865 /nfs/dbraw/zinc/56/48/65/419564865.db2.gz FUZNFTVXTGQYNJ-JTQLQIEISA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662272211 419569746 /nfs/dbraw/zinc/56/97/46/419569746.db2.gz MDEAPXBSDGFWBV-STQMWFEESA-N 1 3 284.404 -0.706 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000236844466 419571084 /nfs/dbraw/zinc/57/10/84/419571084.db2.gz FGMVGNXHJIFPLL-CYBMUJFWSA-N 1 3 270.421 -0.014 20 0 CBADHO CN(CCN1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277126 419571047 /nfs/dbraw/zinc/57/10/47/419571047.db2.gz OBBBTYSSXIENJI-ZDUSSCGKSA-N 1 3 269.389 -0.229 20 0 CBADHO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000236820972 419571194 /nfs/dbraw/zinc/57/11/94/419571194.db2.gz KJZOXAWUTFKZMR-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO CC[C@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236910210 419573141 /nfs/dbraw/zinc/57/31/41/419573141.db2.gz KUBPXRXSBWEEDC-RYUDHWBXSA-N 1 3 257.378 -0.067 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1 ZINC000662285016 419574166 /nfs/dbraw/zinc/57/41/66/419574166.db2.gz UKANGNVMQXWQQQ-XQQFMLRXSA-N 1 3 267.373 -0.742 20 0 CBADHO COCCN(C)CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237256655 419575672 /nfs/dbraw/zinc/57/56/72/419575672.db2.gz KJKKLPLXARECAO-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO CN1CCC[C@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277523 419575906 /nfs/dbraw/zinc/57/59/06/419575906.db2.gz VODMYMPWKOBIHS-OLZOCXBDSA-N 1 3 266.389 -0.413 20 0 CBADHO CCCCNC(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000662287267 419576477 /nfs/dbraw/zinc/57/64/77/419576477.db2.gz XSCQBQLWKIRIDA-UHFFFAOYSA-N 1 3 257.378 -0.003 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[NH3+] ZINC000237017691 419577971 /nfs/dbraw/zinc/57/79/71/419577971.db2.gz PWALROUMSREKRN-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000237191662 419579335 /nfs/dbraw/zinc/57/93/35/419579335.db2.gz LQBDDDJAWJCBPB-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO NC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000647727148 419639375 /nfs/dbraw/zinc/63/93/75/419639375.db2.gz MZDDLUZEUPGWRQ-NSHDSACASA-N 1 3 282.388 -0.429 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317748 419584686 /nfs/dbraw/zinc/58/46/86/419584686.db2.gz RPCPONRKGOQLBL-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317748 419584693 /nfs/dbraw/zinc/58/46/93/419584693.db2.gz RPCPONRKGOQLBL-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNC2CC2)C1 ZINC000237929279 419586487 /nfs/dbraw/zinc/58/64/87/419586487.db2.gz WZDOTUXYYGMGBG-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNC2CC2)C1 ZINC000237929279 419586501 /nfs/dbraw/zinc/58/65/01/419586501.db2.gz WZDOTUXYYGMGBG-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CC(C)(N)c1cc(C(=O)NCCCN2CC[NH2+]CC2)on1 ZINC000662391485 419591521 /nfs/dbraw/zinc/59/15/21/419591521.db2.gz ZGJKIYGYBOONPI-UHFFFAOYSA-N 1 3 295.387 -0.107 20 0 CBADHO C[C@H]1CCCCN1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662386536 419593294 /nfs/dbraw/zinc/59/32/94/419593294.db2.gz BVRWBWFAELDZDX-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO CN(C)C[C@@H](CO)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535939 419606510 /nfs/dbraw/zinc/60/65/10/419606510.db2.gz KBSZLXLWQGDRTC-HOTGVXAUSA-N 1 3 295.427 -0.009 20 0 CBADHO CN(C)C[C@@H](CO)NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535939 419606518 /nfs/dbraw/zinc/60/65/18/419606518.db2.gz KBSZLXLWQGDRTC-HOTGVXAUSA-N 1 3 295.427 -0.009 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549748 419606794 /nfs/dbraw/zinc/60/67/94/419606794.db2.gz PAIPNDCJTDOUQN-SRVKXCTJSA-N 1 3 275.418 -0.145 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000647541869 419608069 /nfs/dbraw/zinc/60/80/69/419608069.db2.gz ZNVIYZMXYUGNRP-GHMZBOCLSA-N 1 3 290.358 -0.277 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662453643 419611541 /nfs/dbraw/zinc/61/15/41/419611541.db2.gz DAHQVAPMMDYEQV-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662461832 419613508 /nfs/dbraw/zinc/61/35/08/419613508.db2.gz FFYTUKIIMXIUNO-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO COCCN(C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620203 /nfs/dbraw/zinc/62/02/03/419620203.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 1 3 257.378 -0.923 20 0 CBADHO COCCN(C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000311854132 419625441 /nfs/dbraw/zinc/62/54/41/419625441.db2.gz JBCIFLGMQARQBG-CYBMUJFWSA-N 1 3 273.377 -0.693 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)NCCCN1CCC(O)CC1 ZINC000662525551 419628594 /nfs/dbraw/zinc/62/85/94/419628594.db2.gz IDDVRQPJNMEGSY-GFCCVEGCSA-N 1 3 257.378 -0.053 20 0 CBADHO O=C([C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824833 419660951 /nfs/dbraw/zinc/66/09/51/419660951.db2.gz YYHCZJUOFSVXLE-ZIAGYGMSSA-N 1 3 280.416 -0.260 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000331582731 419661597 /nfs/dbraw/zinc/66/15/97/419661597.db2.gz IFJGCTSEFJBXDZ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000662640603 419662886 /nfs/dbraw/zinc/66/28/86/419662886.db2.gz TUZYRNGAJNIIKY-ICUOPCATSA-N 1 3 267.373 -0.003 20 0 CBADHO C[NH2+]C[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000647836721 419670839 /nfs/dbraw/zinc/67/08/39/419670839.db2.gz APQQYNNTDAJDHZ-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO C[C@H]([NH3+])CCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659576 419672394 /nfs/dbraw/zinc/67/23/94/419672394.db2.gz NOFLDZOHLYHSFK-NSHDSACASA-N 1 3 272.393 -0.408 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000662659373 419672608 /nfs/dbraw/zinc/67/26/08/419672608.db2.gz KSLABPJQTCURFB-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CCN1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662663376 419674393 /nfs/dbraw/zinc/67/43/93/419674393.db2.gz DWJGFSCREVMCDQ-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662662100 419674694 /nfs/dbraw/zinc/67/46/94/419674694.db2.gz ZHTRIPDFOQEYJL-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662659357 419675218 /nfs/dbraw/zinc/67/52/18/419675218.db2.gz KKMNZYHHMISLFE-DOMZBBRYSA-N 1 3 296.415 -0.536 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662684038 419683016 /nfs/dbraw/zinc/68/30/16/419683016.db2.gz ADENABXOZXXJEN-NSHDSACASA-N 1 3 280.376 -0.349 20 0 CBADHO CCN(CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662710370 419694840 /nfs/dbraw/zinc/69/48/40/419694840.db2.gz HRGDJPARVVMNAK-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN(CCNC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662710371 419695363 /nfs/dbraw/zinc/69/53/63/419695363.db2.gz HRGDJPARVVMNAK-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713220 419696728 /nfs/dbraw/zinc/69/67/28/419696728.db2.gz VVDTYPJZYHTWPB-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])N(C)C1CC1 ZINC000662711850 419697870 /nfs/dbraw/zinc/69/78/70/419697870.db2.gz FEXZBKNTZVKHLN-ADEWGFFLSA-N 1 3 255.362 -0.051 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1O ZINC000647994564 419708580 /nfs/dbraw/zinc/70/85/80/419708580.db2.gz QEYODDOSRMKHIG-XBFCOCLRSA-N 1 3 296.415 -0.213 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1O ZINC000647994564 419708586 /nfs/dbraw/zinc/70/85/86/419708586.db2.gz QEYODDOSRMKHIG-XBFCOCLRSA-N 1 3 296.415 -0.213 20 0 CBADHO COCCNCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662763516 419709442 /nfs/dbraw/zinc/70/94/42/419709442.db2.gz DPDVBLAAGQRTFC-JTQLQIEISA-N 1 3 283.294 -0.119 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1O ZINC000647993811 419710068 /nfs/dbraw/zinc/71/00/68/419710068.db2.gz QJXFCBGJWVBYPU-RYUDHWBXSA-N 1 3 270.377 -0.603 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662754548 419711042 /nfs/dbraw/zinc/71/10/42/419711042.db2.gz QIOLKOVPQCRMIF-HAQNSBGRSA-N 1 3 254.378 -0.523 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662757339 419711910 /nfs/dbraw/zinc/71/19/10/419711910.db2.gz LKKUGBCDXNHSCF-JOCQHMNTSA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662573649 419644607 /nfs/dbraw/zinc/64/46/07/419644607.db2.gz JFDLFUHHAQRIFF-LLVKDONJSA-N 1 3 294.355 -0.140 20 0 CBADHO C[NH2+]CC1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000647780307 419655130 /nfs/dbraw/zinc/65/51/30/419655130.db2.gz YAMACZRFEKBLIT-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)C1CCC1 ZINC000647779044 419655187 /nfs/dbraw/zinc/65/51/87/419655187.db2.gz NIWKPYXQPNEIOG-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]1CCN[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779192 419655798 /nfs/dbraw/zinc/65/57/98/419655798.db2.gz VDTLFRTZJNHEOQ-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)CC(F)F ZINC000647777284 419655906 /nfs/dbraw/zinc/65/59/06/419655906.db2.gz IPNAUOADGNLEIN-SECBINFHSA-N 1 3 264.320 -0.668 20 0 CBADHO C[C@H]1CCN[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779191 419655961 /nfs/dbraw/zinc/65/59/61/419655961.db2.gz VDTLFRTZJNHEOQ-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO NC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC2(CCC2)C1 ZINC000662766220 419713999 /nfs/dbraw/zinc/71/39/99/419713999.db2.gz HEGQOZULNUQDLK-JTQLQIEISA-N 1 3 253.346 -0.166 20 0 CBADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000662790255 419725394 /nfs/dbraw/zinc/72/53/94/419725394.db2.gz BGDZIECVIFIGJP-VXGBXAGGSA-N 1 3 253.346 -0.343 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662800933 419729314 /nfs/dbraw/zinc/72/93/14/419729314.db2.gz HEXJHKJBXYDZFB-NEPJUHHUSA-N 1 3 255.362 -0.097 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CNC1 ZINC000648109119 419731675 /nfs/dbraw/zinc/73/16/75/419731675.db2.gz ZFHKNKLXNQQLSJ-SDDRHHMPSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C(NC[C@H]1CNCCO1)C1([NH2+]C2CC2)CCC1 ZINC000662812394 419733614 /nfs/dbraw/zinc/73/36/14/419733614.db2.gz BARAIDWLEYXFRL-LLVKDONJSA-N 1 3 253.346 -0.234 20 0 CBADHO CC(C)(N)c1cc(C(=O)NC[C@H]2C[NH2+]CCO2)on1 ZINC000662816688 419737687 /nfs/dbraw/zinc/73/76/87/419737687.db2.gz YJYFOEDRUBRLSI-MRVPVSSYSA-N 1 3 268.317 -0.413 20 0 CBADHO CC1(OCC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CNC1 ZINC000648124142 419738214 /nfs/dbraw/zinc/73/82/14/419738214.db2.gz RUSAGDMMXGYBOW-MNOVXSKESA-N 1 3 253.346 -0.425 20 0 CBADHO CC1(OCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CNC1 ZINC000648124143 419738867 /nfs/dbraw/zinc/73/88/67/419738867.db2.gz RUSAGDMMXGYBOW-QWRGUYRKSA-N 1 3 253.346 -0.425 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000648132205 419744410 /nfs/dbraw/zinc/74/44/10/419744410.db2.gz SGZUPXOYLJOMDN-NHCYSSNCSA-N 1 3 288.367 -0.756 20 0 CBADHO CC1(OCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CNC1 ZINC000648141391 419752228 /nfs/dbraw/zinc/75/22/28/419752228.db2.gz GRSZKWSBKGVWGD-QWRGUYRKSA-N 1 3 253.346 -0.425 20 0 CBADHO CNC(=O)CN(C)CCCCC[N@H+](C)CC(=O)NC ZINC000434673177 544592520 /nfs/dbraw/zinc/59/25/20/544592520.db2.gz CCCKWBVRNPZSAB-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CNC(=O)CN(C)CCCCC[N@@H+](C)CC(=O)NC ZINC000434673177 544592525 /nfs/dbraw/zinc/59/25/25/544592525.db2.gz CCCKWBVRNPZSAB-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662872261 419759524 /nfs/dbraw/zinc/75/95/24/419759524.db2.gz AGNLPKUXKIVONE-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CC3CC2(C[NH3+])C3)C1=O ZINC000662876051 419759976 /nfs/dbraw/zinc/75/99/76/419759976.db2.gz PAVFYGHLECXIPW-CVZZAPKMSA-N 1 3 280.372 -0.724 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@H]2C1 ZINC000648168925 419763761 /nfs/dbraw/zinc/76/37/61/419763761.db2.gz HOVKURKJIYRRJO-RYUDHWBXSA-N 1 3 267.373 -0.083 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662941580 419787338 /nfs/dbraw/zinc/78/73/38/419787338.db2.gz XTOHGWQVKVNWFO-UHFFFAOYSA-N 1 3 296.415 -0.265 20 0 CBADHO CC1(OCC(=O)N[C@@H](C[NH3+])C2CCCC2)CNC1 ZINC000648176932 419768374 /nfs/dbraw/zinc/76/83/74/419768374.db2.gz SXULDYGJTIWJMV-NSHDSACASA-N 1 3 255.362 -0.001 20 0 CBADHO CC1(OCC(=O)N2CCC3(CC[NH2+]3)CC2)CNC1 ZINC000648179368 419771026 /nfs/dbraw/zinc/77/10/26/419771026.db2.gz ONEMHLKWWTYPTJ-UHFFFAOYSA-N 1 3 253.346 -0.281 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210256 419776545 /nfs/dbraw/zinc/77/65/45/419776545.db2.gz NTPYQSHCQICTMV-YPMHNXCESA-N 1 3 296.415 -0.123 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000662930687 419780387 /nfs/dbraw/zinc/78/03/87/419780387.db2.gz UZSSIVLURQIMAV-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000662930878 419781618 /nfs/dbraw/zinc/78/16/18/419781618.db2.gz WYGQRMABAAGYMF-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000662974049 419800219 /nfs/dbraw/zinc/80/02/19/419800219.db2.gz ZKWGCSGUQQTUIV-CYBMUJFWSA-N 1 3 299.415 -0.066 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000662974050 419800767 /nfs/dbraw/zinc/80/07/67/419800767.db2.gz ZKWGCSGUQQTUIV-ZDUSSCGKSA-N 1 3 299.415 -0.066 20 0 CBADHO CN(C)CCn1ccc(NC(=O)CCOC2C[NH2+]C2)n1 ZINC000349057653 419810214 /nfs/dbraw/zinc/81/02/14/419810214.db2.gz RNQILCJCXFNLLS-UHFFFAOYSA-N 1 3 281.360 -0.238 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000649274452 419858752 /nfs/dbraw/zinc/85/87/52/419858752.db2.gz LUCWPRGHRVJWLB-XQQFMLRXSA-N 1 3 268.405 -0.040 20 0 CBADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC000663217001 419828040 /nfs/dbraw/zinc/82/80/40/419828040.db2.gz YYESJSLSEFVYLQ-LLVKDONJSA-N 1 3 280.372 -0.488 20 0 CBADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663218062 419829877 /nfs/dbraw/zinc/82/98/77/419829877.db2.gz YJHOCHLFCVOBLL-JQWIXIFHSA-N 1 3 251.330 -0.813 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000649070057 419833811 /nfs/dbraw/zinc/83/38/11/419833811.db2.gz GPUJFHJMYRWWRE-VXGBXAGGSA-N 1 3 282.388 -0.484 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000649070057 419833819 /nfs/dbraw/zinc/83/38/19/419833819.db2.gz GPUJFHJMYRWWRE-VXGBXAGGSA-N 1 3 282.388 -0.484 20 0 CBADHO C[C@H]1CC[NH2+][C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000662946296 419789489 /nfs/dbraw/zinc/78/94/89/419789489.db2.gz QTFYUNHYHGXTJI-WPRPVWTQSA-N 1 3 279.344 -0.355 20 0 CBADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000662946295 419789530 /nfs/dbraw/zinc/78/95/30/419789530.db2.gz QTFYUNHYHGXTJI-WCBMZHEXSA-N 1 3 279.344 -0.355 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN(C)C ZINC000355276257 419865011 /nfs/dbraw/zinc/86/50/11/419865011.db2.gz UDSFZJRYVCMYGN-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO C[N@@H+]1CCC[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000649310487 419874578 /nfs/dbraw/zinc/87/45/78/419874578.db2.gz MYHNGVYWHVEWKB-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000649310487 419874583 /nfs/dbraw/zinc/87/45/83/419874583.db2.gz MYHNGVYWHVEWKB-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318862 419880465 /nfs/dbraw/zinc/88/04/65/419880465.db2.gz QHJXBQXMVOJEQB-XQHKEYJVSA-N 1 3 267.373 -0.036 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1O ZINC000664093176 419881424 /nfs/dbraw/zinc/88/14/24/419881424.db2.gz DUHIQRJQJSGHNA-RYUDHWBXSA-N 1 3 270.377 -0.603 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1O ZINC000664093176 419881428 /nfs/dbraw/zinc/88/14/28/419881428.db2.gz DUHIQRJQJSGHNA-RYUDHWBXSA-N 1 3 270.377 -0.603 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000664219555 419888420 /nfs/dbraw/zinc/88/84/20/419888420.db2.gz RPXWAOMUQYKLFE-VOAKCMCISA-N 1 3 284.404 -0.215 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000664219555 419888423 /nfs/dbraw/zinc/88/84/23/419888423.db2.gz RPXWAOMUQYKLFE-VOAKCMCISA-N 1 3 284.404 -0.215 20 0 CBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000649330276 419892551 /nfs/dbraw/zinc/89/25/51/419892551.db2.gz MKOGLTGEZZSHDJ-TXEJJXNPSA-N 1 3 296.415 -0.217 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000666923990 544650693 /nfs/dbraw/zinc/65/06/93/544650693.db2.gz WJUDCGLLQYRVDM-JSGCOSHPSA-N 1 3 284.404 -0.164 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000666923990 544650698 /nfs/dbraw/zinc/65/06/98/544650698.db2.gz WJUDCGLLQYRVDM-JSGCOSHPSA-N 1 3 284.404 -0.164 20 0 CBADHO COC1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000649343206 419900690 /nfs/dbraw/zinc/90/06/90/419900690.db2.gz NYZZVAFYQCVRGH-PHIMTYICSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCNC1=O ZINC000668303384 544691833 /nfs/dbraw/zinc/69/18/33/544691833.db2.gz GMYLHEBVORYFQR-NSHDSACASA-N 1 3 270.377 -0.926 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCCN(C)C2)[C@H](C[NH3+])C1 ZINC000669403089 544749823 /nfs/dbraw/zinc/74/98/23/544749823.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 1 3 269.393 -0.635 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491144 544750175 /nfs/dbraw/zinc/75/01/75/544750175.db2.gz NDNIAAZACBUSEU-QWHCGFSZSA-N 1 3 282.388 -0.242 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491144 544750181 /nfs/dbraw/zinc/75/01/81/544750181.db2.gz NDNIAAZACBUSEU-QWHCGFSZSA-N 1 3 282.388 -0.242 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669473248 544750246 /nfs/dbraw/zinc/75/02/46/544750246.db2.gz ZHEZNXVQDQJWFG-GHMZBOCLSA-N 1 3 258.366 -0.256 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669473251 544750341 /nfs/dbraw/zinc/75/03/41/544750341.db2.gz ZHEZNXVQDQJWFG-WDEREUQCSA-N 1 3 258.366 -0.256 20 0 CBADHO CC1(C)CNCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000669512385 544750961 /nfs/dbraw/zinc/75/09/61/544750961.db2.gz LQQLPWGNGSIQGD-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCN1 ZINC000669514856 544752981 /nfs/dbraw/zinc/75/29/81/544752981.db2.gz NDBWCJLGINXFAP-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337255 419946796 /nfs/dbraw/zinc/94/67/96/419946796.db2.gz GRDFGMRPVABSAN-NSHDSACASA-N 1 3 285.392 -0.990 20 0 CBADHO C[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637675 419959692 /nfs/dbraw/zinc/95/96/92/419959692.db2.gz KWDRCBITBAYFAU-RYUDHWBXSA-N 1 3 274.409 -0.062 20 0 CBADHO C[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637675 419959694 /nfs/dbraw/zinc/95/96/94/419959694.db2.gz KWDRCBITBAYFAU-RYUDHWBXSA-N 1 3 274.409 -0.062 20 0 CBADHO Cc1nc(N2CC(N(C)C)C2)nc(N2CC([NH+](C)C)C2)n1 ZINC000359767685 419985694 /nfs/dbraw/zinc/98/56/94/419985694.db2.gz MIHDAVCCYBTWJQ-UHFFFAOYSA-N 1 3 291.403 -0.320 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364213905 420032146 /nfs/dbraw/zinc/03/21/46/420032146.db2.gz JNGOSWBUICJCFQ-UMSGYPCISA-N 1 3 269.389 -0.054 20 0 CBADHO COCCN(C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145454 420048673 /nfs/dbraw/zinc/04/86/73/420048673.db2.gz ODXFIJYTNDJWFJ-UHFFFAOYSA-N 1 3 272.393 -0.007 20 0 CBADHO [NH3+]CC1(CCNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000652224094 420052757 /nfs/dbraw/zinc/05/27/57/420052757.db2.gz TUQLWHGEOBXZQW-JTQLQIEISA-N 1 3 256.350 -0.597 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336923 420057325 /nfs/dbraw/zinc/05/73/25/420057325.db2.gz OWCJWSHWYNZXRR-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336923 420057327 /nfs/dbraw/zinc/05/73/27/420057327.db2.gz OWCJWSHWYNZXRR-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO CCO[C@@H]1CN(CCC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000652357386 420059559 /nfs/dbraw/zinc/05/95/59/420059559.db2.gz MSKURHNGGCPUTC-CHWSQXEVSA-N 1 3 285.388 -0.469 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCC(C)CC1 ZINC000365332513 420059884 /nfs/dbraw/zinc/05/98/84/420059884.db2.gz TXVJUBHOHHBLEM-RWMBFGLXSA-N 1 3 269.389 -0.054 20 0 CBADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400745 420062012 /nfs/dbraw/zinc/06/20/12/420062012.db2.gz AOMSNFBXCBEHHD-SNVBAGLBSA-N 1 3 256.350 -0.013 20 0 CBADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400745 420062014 /nfs/dbraw/zinc/06/20/14/420062014.db2.gz AOMSNFBXCBEHHD-SNVBAGLBSA-N 1 3 256.350 -0.013 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000653112613 420116004 /nfs/dbraw/zinc/11/60/04/420116004.db2.gz DEDAAPZDFMJJSX-JQWIXIFHSA-N 1 3 254.378 -0.382 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123671 420118671 /nfs/dbraw/zinc/11/86/71/420118671.db2.gz DASQMPGYHLQMAI-UHXUCMFUSA-N 1 3 279.384 -0.179 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653115553 420119370 /nfs/dbraw/zinc/11/93/70/420119370.db2.gz SNVZKNSCNKJFGO-SCRDCRAPSA-N 1 3 267.373 -0.225 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121981 420119475 /nfs/dbraw/zinc/11/94/75/420119475.db2.gz HYTOAUBXCLZZLJ-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1 ZINC000653133042 420121461 /nfs/dbraw/zinc/12/14/61/420121461.db2.gz VRHGNPRFXRSGIC-SCRDCRAPSA-N 1 3 267.373 -0.321 20 0 CBADHO N[C@H]1CCCCN(CC(=O)NCCC2(C[NH3+])CC2)C1=O ZINC000653222476 420127706 /nfs/dbraw/zinc/12/77/06/420127706.db2.gz CMZKBMPWPFPBSZ-NSHDSACASA-N 1 3 282.388 -0.429 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)NCCC2(C[NH3+])CC2)C1=O ZINC000653222475 420128062 /nfs/dbraw/zinc/12/80/62/420128062.db2.gz CMZKBMPWPFPBSZ-LLVKDONJSA-N 1 3 282.388 -0.429 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CNCCO1)C2 ZINC000653197432 420128823 /nfs/dbraw/zinc/12/88/23/420128823.db2.gz FHDYMRQXSQGPRP-SCRDCRAPSA-N 1 3 267.373 -0.048 20 0 CBADHO CN(CCN1CCCCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653275011 420134806 /nfs/dbraw/zinc/13/48/06/420134806.db2.gz UNZJSEGGDGRBDS-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000652695519 420072002 /nfs/dbraw/zinc/07/20/02/420072002.db2.gz VYCMZGVBYJSCDM-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652696060 420072756 /nfs/dbraw/zinc/07/27/56/420072756.db2.gz FOEITNDNVFYMIF-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN ZINC000652694168 420072861 /nfs/dbraw/zinc/07/28/61/420072861.db2.gz QIUWDDNCLMDVCB-UHFFFAOYSA-N 1 3 258.366 -0.845 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCN ZINC000652694168 420072864 /nfs/dbraw/zinc/07/28/64/420072864.db2.gz QIUWDDNCLMDVCB-UHFFFAOYSA-N 1 3 258.366 -0.845 20 0 CBADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CCCC1 ZINC000653347940 420141238 /nfs/dbraw/zinc/14/12/38/420141238.db2.gz WBMCGZODVHJEPK-DYEKYZERSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000652697648 420074167 /nfs/dbraw/zinc/07/41/67/420074167.db2.gz KDNJHKGOLMYDIO-UHFFFAOYSA-N 1 3 268.361 -0.981 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000652697113 420074315 /nfs/dbraw/zinc/07/43/15/420074315.db2.gz XFVSVOAOYNSMJQ-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652698877 420074383 /nfs/dbraw/zinc/07/43/83/420074383.db2.gz MAPIKUSYOXEAFI-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000652706294 420075753 /nfs/dbraw/zinc/07/57/53/420075753.db2.gz ZQGWNQURGGEXPZ-LBPRGKRZSA-N 1 3 286.420 -0.114 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000652706294 420075756 /nfs/dbraw/zinc/07/57/56/420075756.db2.gz ZQGWNQURGGEXPZ-LBPRGKRZSA-N 1 3 286.420 -0.114 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713845 420076718 /nfs/dbraw/zinc/07/67/18/420076718.db2.gz YHBZYXRZHULIHG-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714183 420077308 /nfs/dbraw/zinc/07/73/08/420077308.db2.gz FRADQPUBNCXRBH-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000652731199 420079568 /nfs/dbraw/zinc/07/95/68/420079568.db2.gz DCLAOZHCIHXUSO-UHFFFAOYSA-N 1 3 296.415 -0.247 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000366557838 420089827 /nfs/dbraw/zinc/08/98/27/420089827.db2.gz UCWALEOMGIXXDH-STQMWFEESA-N 1 3 286.395 -0.170 20 0 CBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000382461215 420200429 /nfs/dbraw/zinc/20/04/29/420200429.db2.gz XZAGQSNQEOHENA-CQSZACIVSA-N 1 3 273.421 -0.049 20 0 CBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000382461215 420200432 /nfs/dbraw/zinc/20/04/32/420200432.db2.gz XZAGQSNQEOHENA-CQSZACIVSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000653694687 420158007 /nfs/dbraw/zinc/15/80/07/420158007.db2.gz NNWWWLNOGWDWPZ-MELADBBJSA-N 1 3 271.405 -0.439 20 0 CBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000653694687 420158013 /nfs/dbraw/zinc/15/80/13/420158013.db2.gz NNWWWLNOGWDWPZ-MELADBBJSA-N 1 3 271.405 -0.439 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1=O ZINC000370021504 420171910 /nfs/dbraw/zinc/17/19/10/420171910.db2.gz QLKDLJYBJBXPRO-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@H+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654440404 420178424 /nfs/dbraw/zinc/17/84/24/420178424.db2.gz IQPYWSSASYDRCL-QWHCGFSZSA-N 1 3 282.388 -0.459 20 0 CBADHO C[N@@H+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654440404 420178426 /nfs/dbraw/zinc/17/84/26/420178426.db2.gz IQPYWSSASYDRCL-QWHCGFSZSA-N 1 3 282.388 -0.459 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460822 420181556 /nfs/dbraw/zinc/18/15/56/420181556.db2.gz AZHQMRXVKMASBD-XDQVBPFNSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460822 420181560 /nfs/dbraw/zinc/18/15/60/420181560.db2.gz AZHQMRXVKMASBD-XDQVBPFNSA-N 1 3 296.415 -0.071 20 0 CBADHO CCO[C@@H]1CN(C(=O)C(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405203991 420227370 /nfs/dbraw/zinc/22/73/70/420227370.db2.gz HFRNQXMJQJGCIS-IVZWLZJFSA-N 1 3 278.374 -0.758 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418931739 420242756 /nfs/dbraw/zinc/24/27/56/420242756.db2.gz HHTZIZZJZIYCOH-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000418948750 420244237 /nfs/dbraw/zinc/24/42/37/420244237.db2.gz QQOOMSKRIPYTJY-MNOVXSKESA-N 1 3 272.393 -0.314 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419524956 420244833 /nfs/dbraw/zinc/24/48/33/420244833.db2.gz QQYCJGJBNZFBST-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419427645 420244864 /nfs/dbraw/zinc/24/48/64/420244864.db2.gz SDBBITIQUHQFNB-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419847373 420245367 /nfs/dbraw/zinc/24/53/67/420245367.db2.gz SZRQLIDZZRKOGY-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419524958 420245542 /nfs/dbraw/zinc/24/55/42/420245542.db2.gz QQYCJGJBNZFBST-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419582146 420245670 /nfs/dbraw/zinc/24/56/70/420245670.db2.gz JEFWNJCXPONDRB-WOPDTQHZSA-N 1 3 296.415 -0.029 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419767577 420245737 /nfs/dbraw/zinc/24/57/37/420245737.db2.gz BZYSZWYNWQHDAK-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCCN(CC)C1CC1 ZINC000419501127 420246571 /nfs/dbraw/zinc/24/65/71/420246571.db2.gz ASHJXAIEBIXECF-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419901833 420248212 /nfs/dbraw/zinc/24/82/12/420248212.db2.gz VDLDYYGRZRVBDT-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000422976087 420255392 /nfs/dbraw/zinc/25/53/92/420255392.db2.gz UOEAJAOOHOKFST-NWDGAFQWSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000423199141 420255423 /nfs/dbraw/zinc/25/54/23/420255423.db2.gz JFLWSMJZCDAXRR-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO [NH3+]C[C@H](NC(=O)C[C@H]1CNCCO1)C(F)(F)F ZINC000655505299 420260551 /nfs/dbraw/zinc/26/05/51/420260551.db2.gz VUOWMTUTAAIHFI-BQBZGAKWSA-N 1 3 255.240 -0.629 20 0 CBADHO COC[C@]1(C(=O)N[C@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655518655 420262022 /nfs/dbraw/zinc/26/20/22/420262022.db2.gz JBUKFESAOPYIAK-APPZFPTMSA-N 1 3 269.267 -0.382 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923690 420278572 /nfs/dbraw/zinc/27/85/72/420278572.db2.gz BICUMWUJFJFQIH-VXNVDRBHSA-N 1 3 284.282 -0.758 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655962856 420282759 /nfs/dbraw/zinc/28/27/59/420282759.db2.gz SIBOMYYAJBSGIV-RWMBFGLXSA-N 1 3 282.388 -0.554 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968092 420284070 /nfs/dbraw/zinc/28/40/70/420284070.db2.gz MCDWOASKZYETJM-XWLWVQCSSA-N 1 3 256.350 -0.818 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655966217 420284628 /nfs/dbraw/zinc/28/46/28/420284628.db2.gz QIQSWOYEJFJERV-RWMBFGLXSA-N 1 3 282.388 -0.411 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967025 420285613 /nfs/dbraw/zinc/28/56/13/420285613.db2.gz KRMQVCHBISJGBI-ZDEQEGDKSA-N 1 3 282.388 -0.413 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019146 420291759 /nfs/dbraw/zinc/29/17/59/420291759.db2.gz AEVXZHQANGMXRE-VXGBXAGGSA-N 1 3 282.388 -0.416 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022702 420293409 /nfs/dbraw/zinc/29/34/09/420293409.db2.gz KLABPLRMZHZSOI-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028504 420295586 /nfs/dbraw/zinc/29/55/86/420295586.db2.gz LXEKPCQESZATBP-RWMBFGLXSA-N 1 3 294.399 -0.321 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656062115 420296520 /nfs/dbraw/zinc/29/65/20/420296520.db2.gz IGQHLQOWMRLDQQ-TXEJJXNPSA-N 1 3 284.404 -0.537 20 0 CBADHO CN1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@@H](CN)C1 ZINC000517225259 420374343 /nfs/dbraw/zinc/37/43/43/420374343.db2.gz RULJMAONAVEIBG-LBPRGKRZSA-N 1 3 283.420 -0.068 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000517342726 420376337 /nfs/dbraw/zinc/37/63/37/420376337.db2.gz OXCKZURONRDAHX-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000517384867 420376374 /nfs/dbraw/zinc/37/63/74/420376374.db2.gz BNZANOBXRSPXSI-CVZZAPKMSA-N 1 3 283.372 -0.003 20 0 CBADHO O=C(C[C@@H]1CSCCN1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000548017411 420420694 /nfs/dbraw/zinc/42/06/94/420420694.db2.gz AMKFPEMKGDWMSH-MNOVXSKESA-N 1 3 295.412 0.451 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659459484 420421728 /nfs/dbraw/zinc/42/17/28/420421728.db2.gz YYFDNOFUJVOZRC-IJLUTSLNSA-N 1 3 288.367 -0.212 20 0 CBADHO CN(C)CCOCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659483904 420423308 /nfs/dbraw/zinc/42/33/08/420423308.db2.gz BMGQXDWHPAKLMJ-UHFFFAOYSA-N 1 3 270.377 -0.303 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659359362 420415793 /nfs/dbraw/zinc/41/57/93/420415793.db2.gz QRRMLCNUBGOXKB-JTQLQIEISA-N 1 3 258.366 -0.927 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868608 544986830 /nfs/dbraw/zinc/98/68/30/544986830.db2.gz JDGFAUPQIFTGJC-QWHCGFSZSA-N 1 3 266.389 -0.413 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868608 544986833 /nfs/dbraw/zinc/98/68/33/544986833.db2.gz JDGFAUPQIFTGJC-QWHCGFSZSA-N 1 3 266.389 -0.413 20 0 CBADHO CC[NH2+]CCCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000563607634 420436346 /nfs/dbraw/zinc/43/63/46/420436346.db2.gz BEEADEZQZQIAEM-UHFFFAOYSA-N 1 3 282.392 0.566 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659514958 420427749 /nfs/dbraw/zinc/42/77/49/420427749.db2.gz GPQWVEZHHSXZKU-STQMWFEESA-N 1 3 282.388 -0.099 20 0 CBADHO CCC[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659527270 420429201 /nfs/dbraw/zinc/42/92/01/420429201.db2.gz UXIKIMYMFGELEM-UHFFFAOYSA-N 1 3 282.348 -0.560 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000659552931 420433526 /nfs/dbraw/zinc/43/35/26/420433526.db2.gz GWEUOEOVIFGOPE-RYUDHWBXSA-N 1 3 270.377 -0.242 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000659552931 420433527 /nfs/dbraw/zinc/43/35/27/420433527.db2.gz GWEUOEOVIFGOPE-RYUDHWBXSA-N 1 3 270.377 -0.242 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659750057 420467375 /nfs/dbraw/zinc/46/73/75/420467375.db2.gz DFWBZTDBDDTENB-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000659758022 420469323 /nfs/dbraw/zinc/46/93/23/420469323.db2.gz XFRSDHXQRUNLSL-GRYCIOLGSA-N 1 3 284.404 -0.491 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000659757507 420469328 /nfs/dbraw/zinc/46/93/28/420469328.db2.gz YXAOWHIHNYFUBQ-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO CN(C)CCn1ccc(NC(=O)C2(C)C[NH2+]C2)n1 ZINC000580650898 420469414 /nfs/dbraw/zinc/46/94/14/420469414.db2.gz UKHQZYRTDCXAAF-UHFFFAOYSA-N 1 3 251.334 -0.007 20 0 CBADHO COC[C@@]1(C(=O)Nc2ccn(CCN(C)C)n2)CC[NH2+]C1 ZINC000565306693 420441849 /nfs/dbraw/zinc/44/18/49/420441849.db2.gz DCPZTWLBVHMLGY-CQSZACIVSA-N 1 3 295.387 0.009 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000659643273 420442844 /nfs/dbraw/zinc/44/28/44/420442844.db2.gz PTUQGCNHGKIWGR-RYUDHWBXSA-N 1 3 272.393 -0.260 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000659674845 420446424 /nfs/dbraw/zinc/44/64/24/420446424.db2.gz WMCJKSCDZYTCHV-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659675384 420446573 /nfs/dbraw/zinc/44/65/73/420446573.db2.gz TXUYQZJOEKJREF-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1C ZINC000659677665 420448024 /nfs/dbraw/zinc/44/80/24/420448024.db2.gz GUQKGFMDOPWMGG-QWRGUYRKSA-N 1 3 284.404 -0.219 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000659684765 420448716 /nfs/dbraw/zinc/44/87/16/420448716.db2.gz LTWUICMYQGFGRL-UHFFFAOYSA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000659702557 420452504 /nfs/dbraw/zinc/45/25/04/420452504.db2.gz PVFYUKSFLNTGCR-UWVGGRQHSA-N 1 3 270.377 -0.691 20 0 CBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659704605 420453133 /nfs/dbraw/zinc/45/31/33/420453133.db2.gz MKDGBNHDCLWVHQ-NWDGAFQWSA-N 1 3 280.372 -0.935 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709870 420454143 /nfs/dbraw/zinc/45/41/43/420454143.db2.gz MNXAJLRNNYXRRH-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659709934 420454978 /nfs/dbraw/zinc/45/49/78/420454978.db2.gz NQWOROPXUCKSAX-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659709939 420455280 /nfs/dbraw/zinc/45/52/80/420455280.db2.gz NQWOROPXUCKSAX-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659712082 420455410 /nfs/dbraw/zinc/45/54/10/420455410.db2.gz HBUNRIYIYJQDCS-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000659711903 420455519 /nfs/dbraw/zinc/45/55/19/420455519.db2.gz FGDYSMDRCOCQQS-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715957 420456868 /nfs/dbraw/zinc/45/68/68/420456868.db2.gz UBDGNDAYGWXTJD-RYUDHWBXSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715958 420457396 /nfs/dbraw/zinc/45/73/96/420457396.db2.gz UBDGNDAYGWXTJD-VXGBXAGGSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659717115 420457750 /nfs/dbraw/zinc/45/77/50/420457750.db2.gz ZWRYHMQDVDTYCL-XQQFMLRXSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659717504 420458415 /nfs/dbraw/zinc/45/84/15/420458415.db2.gz HZTOQQIQGZDDGY-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720864 420458965 /nfs/dbraw/zinc/45/89/65/420458965.db2.gz FXLNHBOFOKGJOB-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000659722119 420459214 /nfs/dbraw/zinc/45/92/14/420459214.db2.gz MQSKRJJUHFAKIM-AGIUHOORSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725438 420460302 /nfs/dbraw/zinc/46/03/02/420460302.db2.gz XAPMPGKYEQSSHE-NSHDSACASA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000659738860 420463002 /nfs/dbraw/zinc/46/30/02/420463002.db2.gz JGSBJANWGPKUDG-DOMZBBRYSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000659738156 420463588 /nfs/dbraw/zinc/46/35/88/420463588.db2.gz AUBZCPZFUVHQLZ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659738162 420463693 /nfs/dbraw/zinc/46/36/93/420463693.db2.gz AULKNIXDFWQWIK-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659738163 420463793 /nfs/dbraw/zinc/46/37/93/420463793.db2.gz AULKNIXDFWQWIK-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000659738212 420463927 /nfs/dbraw/zinc/46/39/27/420463927.db2.gz BVDBSXHWIAIURM-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742033 420464747 /nfs/dbraw/zinc/46/47/47/420464747.db2.gz YOCUITYMVZVBHU-AVERBVTBSA-N 1 3 294.399 -0.593 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000659739489 420465107 /nfs/dbraw/zinc/46/51/07/420465107.db2.gz VYZGKFYPYTVKPK-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744418 420466041 /nfs/dbraw/zinc/46/60/41/420466041.db2.gz VNXCIXSMYJZDPQ-AVERBVTBSA-N 1 3 294.399 -0.545 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743914 420466084 /nfs/dbraw/zinc/46/60/84/420466084.db2.gz OLWVSFYWYQXLEV-UHFFFAOYSA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000659749206 420466489 /nfs/dbraw/zinc/46/64/89/420466489.db2.gz FWZKYWKYKCHEOT-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000659750848 420467123 /nfs/dbraw/zinc/46/71/23/420467123.db2.gz QNLYKEHBGHDSDS-QJPTWQEYSA-N 1 3 284.404 -0.348 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000659750850 420467141 /nfs/dbraw/zinc/46/71/41/420467141.db2.gz QNLYKEHBGHDSDS-SDDRHHMPSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434809 420490568 /nfs/dbraw/zinc/49/05/68/420490568.db2.gz IPUMQEYTKDSNCY-JSGCOSHPSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434809 420490569 /nfs/dbraw/zinc/49/05/69/420490569.db2.gz IPUMQEYTKDSNCY-JSGCOSHPSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CNCc2ccccc21 ZINC000517934345 260320703 /nfs/dbraw/zinc/32/07/03/260320703.db2.gz ZIUBBBNCYYHUPD-OAHLLOKOSA-N 1 3 288.395 -0.105 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000518943707 265238425 /nfs/dbraw/zinc/23/84/25/265238425.db2.gz OXPKDXAHOIITFQ-UHFFFAOYSA-N 1 3 282.388 -0.462 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860410 276184420 /nfs/dbraw/zinc/18/44/20/276184420.db2.gz KRPYOZMWDMVQRC-NWDGAFQWSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@H+](C[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562526 545081867 /nfs/dbraw/zinc/08/18/67/545081867.db2.gz RBBROGDYIKBNLC-JYJNAYRXSA-N 1 3 297.443 -0.028 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000685562526 545081868 /nfs/dbraw/zinc/08/18/68/545081868.db2.gz RBBROGDYIKBNLC-JYJNAYRXSA-N 1 3 297.443 -0.028 20 0 CBADHO CN(C)CC[N@H+](C)CCCNC(=O)CN1CCN(C)CC1 ZINC000685861841 545082593 /nfs/dbraw/zinc/08/25/93/545082593.db2.gz WZVIBQZBOOISFP-UHFFFAOYSA-N 1 3 299.463 -0.767 20 0 CBADHO CN(C)CC[N@@H+](C)CCCNC(=O)CN1CCN(C)CC1 ZINC000685861841 545082594 /nfs/dbraw/zinc/08/25/94/545082594.db2.gz WZVIBQZBOOISFP-UHFFFAOYSA-N 1 3 299.463 -0.767 20 0 CBADHO CN(CCCNC(=O)CN1CCN(C)CC1)CC[NH+](C)C ZINC000685861841 545082596 /nfs/dbraw/zinc/08/25/96/545082596.db2.gz WZVIBQZBOOISFP-UHFFFAOYSA-N 1 3 299.463 -0.767 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000342736213 277059196 /nfs/dbraw/zinc/05/91/96/277059196.db2.gz MUQJAOTXUAIZIS-UWVGGRQHSA-N 1 3 259.350 -0.277 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000419584467 277042212 /nfs/dbraw/zinc/04/22/12/277042212.db2.gz KVBOVYXNCDLOQH-QWRGUYRKSA-N 1 3 282.388 -0.594 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215341 277058706 /nfs/dbraw/zinc/05/87/06/277058706.db2.gz FRLGLIHMOICRGU-OPRDCNLKSA-N 1 3 257.334 -0.347 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419849089 277267909 /nfs/dbraw/zinc/26/79/09/277267909.db2.gz WTJZBRQGHYWKQK-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420074959 277306553 /nfs/dbraw/zinc/30/65/53/277306553.db2.gz ITYRMMSKXVUXSH-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423066053 277379530 /nfs/dbraw/zinc/37/95/30/277379530.db2.gz VYMUEZXAVWMEPB-ZDUSSCGKSA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419029781 278182710 /nfs/dbraw/zinc/18/27/10/278182710.db2.gz SCFZYEXOAMEPKC-UTUOFQBUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375976295 278526184 /nfs/dbraw/zinc/52/61/84/278526184.db2.gz UFUORWCVYJJPIS-VXGBXAGGSA-N 1 3 268.405 -0.134 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420082291 278627392 /nfs/dbraw/zinc/62/73/92/278627392.db2.gz UVMVNQQCCVQXBZ-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000362836523 288084308 /nfs/dbraw/zinc/08/43/08/288084308.db2.gz HKXXRPKAMMPEOS-UPJWGTAASA-N 1 3 269.389 -0.027 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000362836523 288084309 /nfs/dbraw/zinc/08/43/09/288084309.db2.gz HKXXRPKAMMPEOS-UPJWGTAASA-N 1 3 269.389 -0.027 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448776 288086758 /nfs/dbraw/zinc/08/67/58/288086758.db2.gz SHHKOBDHBUFJHK-KGLIPLIRSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448776 288086761 /nfs/dbraw/zinc/08/67/61/288086761.db2.gz SHHKOBDHBUFJHK-KGLIPLIRSA-N 1 3 282.432 -0.062 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000420596554 279104670 /nfs/dbraw/zinc/10/46/70/279104670.db2.gz HNCFDCVXPIXAQR-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419150118 279136072 /nfs/dbraw/zinc/13/60/72/279136072.db2.gz LUOPYNQGVYVONU-VXGBXAGGSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423660606 279148079 /nfs/dbraw/zinc/14/80/79/279148079.db2.gz GJRQXVVRTMLBEF-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376072254 279176106 /nfs/dbraw/zinc/17/61/06/279176106.db2.gz ZOBUBXORAIMQDY-OLZOCXBDSA-N 1 3 268.405 -0.134 20 0 CBADHO CCN(CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419523574 279190394 /nfs/dbraw/zinc/19/03/94/279190394.db2.gz OMFSHAUSDZQZDR-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419592094 279268363 /nfs/dbraw/zinc/26/83/63/279268363.db2.gz RVNVRZJEVDQTEK-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419576785 279268676 /nfs/dbraw/zinc/26/86/76/279268676.db2.gz CHEVZSIFOQPHFU-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351522902 279325113 /nfs/dbraw/zinc/32/51/13/279325113.db2.gz MMIPCGXYWPYNTL-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884212 279331754 /nfs/dbraw/zinc/33/17/54/279331754.db2.gz FNCFBSOSMWKVCQ-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO Cn1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346851427 279337158 /nfs/dbraw/zinc/33/71/58/279337158.db2.gz JUNJJHXPTQSRIZ-ZMLRMANQSA-N 1 3 278.356 -0.747 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424162302 279362346 /nfs/dbraw/zinc/36/23/46/279362346.db2.gz ZKSXNKJEIAWLJH-UPJWGTAASA-N 1 3 268.405 -0.277 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419881096 279499520 /nfs/dbraw/zinc/49/95/20/279499520.db2.gz ASGOPPYKKMYLFV-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)COC2C[NH2+]C2)C[C@@H](C)O1 ZINC000430718663 288158513 /nfs/dbraw/zinc/15/85/13/288158513.db2.gz YACQFOBWHWDBLX-CHWSQXEVSA-N 1 3 299.415 -0.020 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000132010393 280145400 /nfs/dbraw/zinc/14/54/00/280145400.db2.gz QGALBYQVCLRGAK-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)N(C)C ZINC000338966534 280674804 /nfs/dbraw/zinc/67/48/04/280674804.db2.gz NHRSRPVEUWRCSV-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332560520 288307524 /nfs/dbraw/zinc/30/75/24/288307524.db2.gz QDUZRLOOQKOVTD-UPJWGTAASA-N 1 3 294.399 -0.450 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC1C[NH2+]C1 ZINC000372573136 281458536 /nfs/dbraw/zinc/45/85/36/281458536.db2.gz QVQXLLWRVKNHSR-OPQQBVKSSA-N 1 3 253.346 -0.393 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000446616097 289050760 /nfs/dbraw/zinc/05/07/60/289050760.db2.gz VGILQYOHSIADSR-AWEZNQCLSA-N 1 3 284.404 -0.164 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC1=O ZINC000237161239 289158072 /nfs/dbraw/zinc/15/80/72/289158072.db2.gz GMLUSGLJPFQQAQ-XHDPSFHLSA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000343842022 289200667 /nfs/dbraw/zinc/20/06/67/289200667.db2.gz AIBLOBXFOFDHLD-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419144582 289531979 /nfs/dbraw/zinc/53/19/79/289531979.db2.gz FVCUFBFHFUATRJ-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CN1CCC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000343654380 289870352 /nfs/dbraw/zinc/87/03/52/289870352.db2.gz JWJAQFCVSUDGHZ-AWEZNQCLSA-N 1 3 280.416 -0.166 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C1(N)CCCCC1 ZINC000449703645 290060599 /nfs/dbraw/zinc/06/05/99/290060599.db2.gz UMTMDNXLOYKDPM-LLVKDONJSA-N 1 3 254.378 -0.332 20 0 CBADHO NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881564 295072612 /nfs/dbraw/zinc/07/26/12/295072612.db2.gz YWAPKDCRXBNIAW-GUBZILKMSA-N 1 3 254.334 -0.369 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364726623 295255527 /nfs/dbraw/zinc/25/55/27/295255527.db2.gz ZKRCGXOPSUMFAQ-WPRPVWTQSA-N 1 3 263.345 -0.087 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332203242 295269012 /nfs/dbraw/zinc/26/90/12/295269012.db2.gz DKRBLBJGSWTNBR-NEPJUHHUSA-N 1 3 280.372 -0.757 20 0 CBADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000424179040 295325359 /nfs/dbraw/zinc/32/53/59/295325359.db2.gz SFHXCYQEYXYVPW-WGBDABJCSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419425848 298556124 /nfs/dbraw/zinc/55/61/24/298556124.db2.gz PUZADXIRAZDZGU-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419425851 298556680 /nfs/dbraw/zinc/55/66/80/298556680.db2.gz PUZADXIRAZDZGU-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419429044 298556732 /nfs/dbraw/zinc/55/67/32/298556732.db2.gz UKVUQCZSIVXCKA-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1[NH3+] ZINC000332357065 300095151 /nfs/dbraw/zinc/09/51/51/300095151.db2.gz WVHONLJPHSOCAB-NWDGAFQWSA-N 1 3 282.388 -0.654 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1=O ZINC000570805011 327620543 /nfs/dbraw/zinc/62/05/43/327620543.db2.gz JAIHXVRPLLHYPI-YNEHKIRRSA-N 1 3 296.415 -0.360 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567817161 327901976 /nfs/dbraw/zinc/90/19/76/327901976.db2.gz UUTWASZUDMCZLK-WDEREUQCSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000570966272 327967543 /nfs/dbraw/zinc/96/75/43/327967543.db2.gz RTVXPZXXKVJBJD-PWSUYJOCSA-N 1 3 270.377 -0.798 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368009 328061139 /nfs/dbraw/zinc/06/11/39/328061139.db2.gz JGUWDOWHJSWXMG-RWMBFGLXSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CNC1 ZINC000563639950 328079536 /nfs/dbraw/zinc/07/95/36/328079536.db2.gz LFOMYGDLSMCVNX-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CNC1 ZINC000563639950 328079537 /nfs/dbraw/zinc/07/95/37/328079537.db2.gz LFOMYGDLSMCVNX-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN2C2CCOCC2)CCO1 ZINC000571523316 328131563 /nfs/dbraw/zinc/13/15/63/328131563.db2.gz VBDXWVURXUUGBN-UONOGXRCSA-N 1 3 297.399 -0.184 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000571526547 328131791 /nfs/dbraw/zinc/13/17/91/328131791.db2.gz IEYLCFVQLOLNKP-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO CNCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582545802 329105268 /nfs/dbraw/zinc/10/52/68/329105268.db2.gz IMUCFHJUMSKTMN-AAEUAGOBSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)C1CC1 ZINC000583132918 329318987 /nfs/dbraw/zinc/31/89/87/329318987.db2.gz KJPUDSQMWAAMSG-AAEUAGOBSA-N 1 3 283.420 -0.328 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NC2C[NH2+]C2)CCC1 ZINC000557297285 327000565 /nfs/dbraw/zinc/00/05/65/327000565.db2.gz GVYUGVQDHKLDHN-UHFFFAOYSA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000557297411 327000799 /nfs/dbraw/zinc/00/07/99/327000799.db2.gz JYDPISBQVKBBOT-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCC[C@H](C)C1 ZINC000557297412 327000863 /nfs/dbraw/zinc/00/08/63/327000863.db2.gz JYDPISBQVKBBOT-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000568877020 327021866 /nfs/dbraw/zinc/02/18/66/327021866.db2.gz MOLHPCAJKCFOTM-NWDGAFQWSA-N 1 3 283.372 -0.036 20 0 CBADHO COC(=O)CN(C)C(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000584113896 327040877 /nfs/dbraw/zinc/04/08/77/327040877.db2.gz OZAQLRHZSFYCHH-CYBMUJFWSA-N 1 3 271.361 -0.275 20 0 CBADHO NC(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000584171001 327056599 /nfs/dbraw/zinc/05/65/99/327056599.db2.gz XGZWHEHLBDEMJH-DTWKUNHWSA-N 1 3 280.294 -0.618 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000569344476 327102585 /nfs/dbraw/zinc/10/25/85/327102585.db2.gz NKEJSYXJZBKSRJ-WKSBVSIWSA-N 1 3 267.373 -0.038 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH3+])CCC1 ZINC000564897792 327118409 /nfs/dbraw/zinc/11/84/09/327118409.db2.gz QDVIQECUDVTKTE-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)CCOCCNC(=O)CNC[C@@H]1CCCO1 ZINC000566196230 327163052 /nfs/dbraw/zinc/16/30/52/327163052.db2.gz GAZHAFRIWKBOIK-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO NC(C(=O)NC[C@@H]1C[NH2+]CCCO1)C(F)(F)F ZINC000569483587 327184476 /nfs/dbraw/zinc/18/44/76/327184476.db2.gz SRLBVEJWCMQWAS-BQBZGAKWSA-N 1 3 255.240 -0.629 20 0 CBADHO NC(C(=O)NC[C@@H]1C[NH2+]CCCO1)C(F)(F)F ZINC000569483590 327184548 /nfs/dbraw/zinc/18/45/48/327184548.db2.gz SRLBVEJWCMQWAS-NKWVEPMBSA-N 1 3 255.240 -0.629 20 0 CBADHO COC(=O)c1cn([C@@H]2CCCN(CCOCC[NH3+])C2)nn1 ZINC000564656840 327198622 /nfs/dbraw/zinc/19/86/22/327198622.db2.gz OAXBQFKQOAQVRK-LLVKDONJSA-N 1 3 297.359 -0.323 20 0 CBADHO CN1CCN(C(=O)[C@@H](N)CC(F)F)[C@@H](C[NH3+])C1 ZINC000569577038 327200817 /nfs/dbraw/zinc/20/08/17/327200817.db2.gz WPRHEALGMRCZRT-YUMQZZPRSA-N 1 3 250.293 -0.930 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569576732 327200868 /nfs/dbraw/zinc/20/08/68/327200868.db2.gz CYDGAYZHMBRBDF-ZJUUUORDSA-N 1 3 254.334 -0.497 20 0 CBADHO NC(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000584290642 327222493 /nfs/dbraw/zinc/22/24/93/327222493.db2.gz VAEAWJKLSHDICG-HTQZYQBOSA-N 1 3 296.293 -0.811 20 0 CBADHO NC(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000584290643 327222505 /nfs/dbraw/zinc/22/25/05/327222505.db2.gz VAEAWJKLSHDICG-JGVFFNPUSA-N 1 3 296.293 -0.811 20 0 CBADHO C[C@H]1NCCN(C(=O)COC2CC[NH2+]CC2)[C@H]1C ZINC000584293024 327224110 /nfs/dbraw/zinc/22/41/10/327224110.db2.gz SZLPDMDGDGPPSK-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CNC3)C[C@@H]21 ZINC000564950483 327256204 /nfs/dbraw/zinc/25/62/04/327256204.db2.gz FIEQQWAVOFIRPB-ADEWGFFLSA-N 1 3 253.346 -0.439 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000564991409 327343315 /nfs/dbraw/zinc/34/33/15/327343315.db2.gz TYAKHIBADQISDY-GVXVVHGQSA-N 1 3 284.404 -0.328 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000564992024 327344465 /nfs/dbraw/zinc/34/44/65/327344465.db2.gz DKFUDCVEJVARAG-NHCYSSNCSA-N 1 3 270.377 -0.718 20 0 CBADHO CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578668888 327348928 /nfs/dbraw/zinc/34/89/28/327348928.db2.gz SZQSHPZNNNGSRG-QWRGUYRKSA-N 1 3 254.378 -0.382 20 0 CBADHO CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578668889 327348955 /nfs/dbraw/zinc/34/89/55/327348955.db2.gz SZQSHPZNNNGSRG-WDEREUQCSA-N 1 3 254.378 -0.382 20 0 CBADHO C[NH+](C)CC1(CNC(=O)C(=O)NC2CNC2)CCCC1 ZINC000583430786 327360480 /nfs/dbraw/zinc/36/04/80/327360480.db2.gz MHTVBZMPYZMUEU-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO O=C(N[C@H]1CNCCC1(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000561223124 327376811 /nfs/dbraw/zinc/37/68/11/327376811.db2.gz XSDVUQCLWFTLDF-AEJSXWLSSA-N 1 3 274.315 -0.156 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000574860743 327387826 /nfs/dbraw/zinc/38/78/26/327387826.db2.gz AAFXDRCDURVJGJ-NWDGAFQWSA-N 1 3 270.377 -0.160 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566497206 327399569 /nfs/dbraw/zinc/39/95/69/327399569.db2.gz XZAWKCTVFFXOLV-FRRDWIJNSA-N 1 3 294.399 -0.369 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566497206 327399570 /nfs/dbraw/zinc/39/95/70/327399570.db2.gz XZAWKCTVFFXOLV-FRRDWIJNSA-N 1 3 294.399 -0.369 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000569694528 327536468 /nfs/dbraw/zinc/53/64/68/327536468.db2.gz XSPVEIUCPSBZTB-JQWIXIFHSA-N 1 3 270.377 -0.717 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC(C)(C)CCC[NH3+] ZINC000570094280 327568495 /nfs/dbraw/zinc/56/84/95/327568495.db2.gz SAMIFAVAXQXAMT-NSHDSACASA-N 1 3 272.393 -0.280 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)C12CCCN1CCC2 ZINC000570443620 327591272 /nfs/dbraw/zinc/59/12/72/327591272.db2.gz IDSJQORVAVNPDO-LBPRGKRZSA-N 1 3 266.389 -0.365 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[NH3+] ZINC000160354873 327606659 /nfs/dbraw/zinc/60/66/59/327606659.db2.gz NUISBJLCRBCTAP-CWSCBRNRSA-N 1 3 255.362 -0.016 20 0 CBADHO C[C@H](CNCCC(=O)NC(N)=O)C[NH+]1CCCC1 ZINC000582541244 329108932 /nfs/dbraw/zinc/10/89/32/329108932.db2.gz DYACIUUDRPTANK-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO C[C@H](C[NH2+]CCC(=O)NC(N)=O)CN1CCCC1 ZINC000582541244 329108933 /nfs/dbraw/zinc/10/89/33/329108933.db2.gz DYACIUUDRPTANK-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(N)CCC2)C1 ZINC000582723090 329130488 /nfs/dbraw/zinc/13/04/88/329130488.db2.gz XBZVVSXDTFZPBB-LLVKDONJSA-N 1 3 282.388 -0.429 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(N)CCC2)C1 ZINC000582723090 329130490 /nfs/dbraw/zinc/13/04/90/329130490.db2.gz XBZVVSXDTFZPBB-LLVKDONJSA-N 1 3 282.388 -0.429 20 0 CBADHO C[C@@H]1CCCN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000582840382 329276750 /nfs/dbraw/zinc/27/67/50/329276750.db2.gz ULDXTQNXLGCBPP-HZPDHXFCSA-N 1 3 298.475 -0.084 20 0 CBADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000583015073 329302570 /nfs/dbraw/zinc/30/25/70/329302570.db2.gz MSCBDZAFHLFMIY-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000583015073 329302571 /nfs/dbraw/zinc/30/25/71/329302571.db2.gz MSCBDZAFHLFMIY-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CCC[C@](C)([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583214715 329370310 /nfs/dbraw/zinc/37/03/10/329370310.db2.gz JFFPMAPJPDAVRJ-CWSCBRNRSA-N 1 3 268.361 -0.726 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC(C)(C)CC[NH3+] ZINC000583754773 329473925 /nfs/dbraw/zinc/47/39/25/329473925.db2.gz SPZHUMPTUTUGCN-JTQLQIEISA-N 1 3 258.366 -0.671 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480900 329500143 /nfs/dbraw/zinc/50/01/43/329500143.db2.gz SCPKJQDPUMXZRH-QWHCGFSZSA-N 1 3 294.399 -0.463 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000584530570 329514090 /nfs/dbraw/zinc/51/40/90/329514090.db2.gz AIHJCUXKPWEYRG-UWVGGRQHSA-N 1 3 257.334 -0.537 20 0 CBADHO NC[C@@H](C(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000572361978 330002461 /nfs/dbraw/zinc/00/24/61/330002461.db2.gz NFTHEOLQQBHTCR-CQSZACIVSA-N 1 3 294.374 -0.111 20 0 CBADHO C[NH2+]C[C@H]1CCN(CCC(=O)N(C)CC(=O)OC)C1 ZINC000572523672 333185024 /nfs/dbraw/zinc/18/50/24/333185024.db2.gz JWEFFJUGFUMEHU-LLVKDONJSA-N 1 3 271.361 -0.451 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015628 335141812 /nfs/dbraw/zinc/14/18/12/335141812.db2.gz DPJGKNAGLPKHKB-WCQYABFASA-N 1 3 294.399 -0.593 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000576104316 335154424 /nfs/dbraw/zinc/15/44/24/335154424.db2.gz BEDAPRUEPPRPRU-KBPBESRZSA-N 1 3 298.431 -0.411 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000576104316 335154425 /nfs/dbraw/zinc/15/44/25/335154425.db2.gz BEDAPRUEPPRPRU-KBPBESRZSA-N 1 3 298.431 -0.411 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108984 335155607 /nfs/dbraw/zinc/15/56/07/335155607.db2.gz HLVJOZYUDYGIPU-MCIONIFRSA-N 1 3 280.416 -0.119 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000576157916 335162027 /nfs/dbraw/zinc/16/20/27/335162027.db2.gz WGCLTCRECBHQRP-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO C[C@H](C[NH3+])C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000564937814 334529291 /nfs/dbraw/zinc/52/92/91/334529291.db2.gz YYZZJTDFBWCFGR-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)CCOC2CNC2)CC1 ZINC000564942390 334529658 /nfs/dbraw/zinc/52/96/58/334529658.db2.gz PTGRDZSJEBUEOB-SNVBAGLBSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000564992809 334533054 /nfs/dbraw/zinc/53/30/54/334533054.db2.gz UKHSQKCWBWRAQF-WDEREUQCSA-N 1 3 271.361 -0.099 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566189418 334634213 /nfs/dbraw/zinc/63/42/13/334634213.db2.gz IRFATLNZTKHFTM-YPMHNXCESA-N 1 3 266.389 -0.367 20 0 CBADHO CCC[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+](C)C ZINC000567292423 334701667 /nfs/dbraw/zinc/70/16/67/334701667.db2.gz PROVWMXYNMIUDF-QJPTWQEYSA-N 1 3 282.388 -0.513 20 0 CBADHO CN1CCN(C(=O)c2ccc(C[NH3+])cc2)[C@H](CN)C1 ZINC000567732142 334756537 /nfs/dbraw/zinc/75/65/37/334756537.db2.gz UPLNVFAHLPEIKY-CYBMUJFWSA-N 1 3 262.357 -0.140 20 0 CBADHO CC1CCN(CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000567869467 334769973 /nfs/dbraw/zinc/76/99/73/334769973.db2.gz NNJHTLNTZBHHCU-UHFFFAOYSA-N 1 3 297.447 -0.077 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000568395854 334822595 /nfs/dbraw/zinc/82/25/95/334822595.db2.gz AJVMCWJBGPQFTP-YPMHNXCESA-N 1 3 284.404 -0.408 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)CCN(C)C ZINC000573099195 334908060 /nfs/dbraw/zinc/90/80/60/334908060.db2.gz RJBLMMHSJUXSKK-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000576360233 335194401 /nfs/dbraw/zinc/19/44/01/335194401.db2.gz NMFSGLMFSURCEA-RYUDHWBXSA-N 1 3 256.394 -0.406 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576359438 335194646 /nfs/dbraw/zinc/19/46/46/335194646.db2.gz AZUGUBBFICACJQ-YNEHKIRRSA-N 1 3 294.399 -0.369 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576359438 335194648 /nfs/dbraw/zinc/19/46/48/335194648.db2.gz AZUGUBBFICACJQ-YNEHKIRRSA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H](C[NH+](C)C)NC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000576459638 335206151 /nfs/dbraw/zinc/20/61/51/335206151.db2.gz IVIIIDUQQHUVCC-DGAVXFQQSA-N 1 3 273.421 -0.004 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1N(C)C ZINC000576744122 335242028 /nfs/dbraw/zinc/24/20/28/335242028.db2.gz XTSQKKIOBZUUII-RNJOBUHISA-N 1 3 294.399 -0.785 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1N(C)C ZINC000576744117 335242098 /nfs/dbraw/zinc/24/20/98/335242098.db2.gz XTSQKKIOBZUUII-FVCCEPFGSA-N 1 3 294.399 -0.785 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992346 335274925 /nfs/dbraw/zinc/27/49/25/335274925.db2.gz JXKANTCHGAVKTQ-MRVWCRGKSA-N 1 3 272.389 -0.181 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992346 335274927 /nfs/dbraw/zinc/27/49/27/335274927.db2.gz JXKANTCHGAVKTQ-MRVWCRGKSA-N 1 3 272.389 -0.181 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC[NH2+]1 ZINC000580561844 335281835 /nfs/dbraw/zinc/28/18/35/335281835.db2.gz ZSPVVPKYYAQMDM-SRVKXCTJSA-N 1 3 254.378 -0.524 20 0 CBADHO CC(C)(N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580550104 335282341 /nfs/dbraw/zinc/28/23/41/335282341.db2.gz ZEMHQPQPUZAKAY-MRVPVSSYSA-N 1 3 282.310 -0.324 20 0 CBADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000580571911 335285776 /nfs/dbraw/zinc/28/57/76/335285776.db2.gz IOGBNDKGPKOADK-ZDUSSCGKSA-N 1 3 283.420 -0.325 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)COC1CNC1 ZINC000577066519 335294499 /nfs/dbraw/zinc/29/44/99/335294499.db2.gz UWZUGJARLPYVGC-UHFFFAOYSA-N 1 3 255.362 -0.225 20 0 CBADHO CCNC(=O)CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000577066768 335294790 /nfs/dbraw/zinc/29/47/90/335294790.db2.gz NFENZWHJOCRCPJ-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+](C)C ZINC000577232146 335327787 /nfs/dbraw/zinc/32/77/87/335327787.db2.gz XBTOBGWYDVHWFG-IJLUTSLNSA-N 1 3 282.388 -0.657 20 0 CBADHO COC[C@@]1(CNC(=O)CCOC2CNC2)CCC[NH2+]1 ZINC000577385266 335346023 /nfs/dbraw/zinc/34/60/23/335346023.db2.gz IPRDHCZXHDBFGO-ZDUSSCGKSA-N 1 3 271.361 -0.750 20 0 CBADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577530752 335365880 /nfs/dbraw/zinc/36/58/80/335365880.db2.gz NVBZGQYHTLILFR-SDDRHHMPSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000578194111 335552535 /nfs/dbraw/zinc/55/25/35/335552535.db2.gz KMEGZKFWUQZWFS-NSHDSACASA-N 1 3 270.377 -0.574 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000578768235 335672999 /nfs/dbraw/zinc/67/29/99/335672999.db2.gz PCGANMCJTUBJLG-SDDRHHMPSA-N 1 3 255.362 -0.001 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000578887218 335685971 /nfs/dbraw/zinc/68/59/71/335685971.db2.gz OHRCSVNTSLCVPR-QWHCGFSZSA-N 1 3 287.404 -0.441 20 0 CBADHO NC[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000578986649 335696124 /nfs/dbraw/zinc/69/61/24/335696124.db2.gz MEWBAZQXTXUKQN-QWHCGFSZSA-N 1 3 263.341 -0.085 20 0 CBADHO COC[C@]1(CNC(=O)CNC[C@H]2CCCO2)CCC[NH2+]1 ZINC000579464297 335764074 /nfs/dbraw/zinc/76/40/74/335764074.db2.gz JWPXDCTUVFLONC-TZMCWYRMSA-N 1 3 285.388 -0.360 20 0 CBADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCNCC1 ZINC000580714010 335959160 /nfs/dbraw/zinc/95/91/60/335959160.db2.gz HEODZYPJKMYOQR-URLYPYJESA-N 1 3 252.362 -0.996 20 0 CBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479059 336086218 /nfs/dbraw/zinc/08/62/18/336086218.db2.gz URMMPGRJGQZBJH-NWDGAFQWSA-N 1 3 294.399 -0.321 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499886 336090785 /nfs/dbraw/zinc/09/07/85/336090785.db2.gz VWJWBZFHNZQZFX-IJLUTSLNSA-N 1 3 252.362 -0.770 20 0 CBADHO c1cnnc(N2CCCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000581610723 336112199 /nfs/dbraw/zinc/11/21/99/336112199.db2.gz AOPVEPSHLFQNNU-UHFFFAOYSA-N 1 3 290.415 -0.106 20 0 CBADHO COCCN(C)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000061378602 523603468 /nfs/dbraw/zinc/60/34/68/523603468.db2.gz CAXOWLXSIJUSDF-CYBMUJFWSA-N 1 3 259.394 -0.389 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357237259 535696728 /nfs/dbraw/zinc/69/67/28/535696728.db2.gz GXVRUMABJOXGJR-GFCCVEGCSA-N 1 3 256.394 -0.275 20 0 CBADHO COCCN(C)CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234620234 582130111 /nfs/dbraw/zinc/13/01/11/582130111.db2.gz VKIRBCGSHPJVJU-UHFFFAOYSA-N 1 3 287.404 -0.303 20 0 CBADHO COCCN1CC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000730733252 582151214 /nfs/dbraw/zinc/15/12/14/582151214.db2.gz IUAMQSXYPWFVRT-NSHDSACASA-N 1 3 274.434 -0.267 20 0 CBADHO CN(C)CC[N@H+](C)CCCN(C)[C@@H]1CCC(=O)NC1=O ZINC000808781764 582444597 /nfs/dbraw/zinc/44/45/97/582444597.db2.gz OYNVIZIXHYOEMB-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)CC[N@@H+](C)CCCN(C)[C@@H]1CCC(=O)NC1=O ZINC000808781764 582444598 /nfs/dbraw/zinc/44/45/98/582444598.db2.gz OYNVIZIXHYOEMB-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)C2CC2)C1 ZINC000819004020 582524797 /nfs/dbraw/zinc/52/47/97/582524797.db2.gz JOLWILOZCLXSOD-OLZOCXBDSA-N 1 3 269.389 -0.066 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)C2CC2)C1 ZINC000819004020 582524798 /nfs/dbraw/zinc/52/47/98/582524798.db2.gz JOLWILOZCLXSOD-OLZOCXBDSA-N 1 3 269.389 -0.066 20 0 CBADHO CC(C)(C)[NH2+]CCC(=O)NCCN1CC[C@@H](O)C1 ZINC000827528018 582820574 /nfs/dbraw/zinc/82/05/74/582820574.db2.gz DVGBVUXMONTJIF-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO O=C(NC[C@@H]1CCCC[NH2+]1)c1[nH]nc2c1CNCC2 ZINC000832458364 583026223 /nfs/dbraw/zinc/02/62/23/583026223.db2.gz DUGJLRJWKQOXDK-VIFPVBQESA-N 1 3 263.345 -0.073 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834447963 583123402 /nfs/dbraw/zinc/12/34/02/583123402.db2.gz GZSLAPLJEZKUMC-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790757 583174619 /nfs/dbraw/zinc/17/46/19/583174619.db2.gz JDIBMNFFJJBZMD-FRRDWIJNSA-N 1 3 282.388 -0.099 20 0 CBADHO COC[C@@]1(CNC(=O)[C@]2(F)CCNC2)CCC[NH2+]1 ZINC000841851432 583175231 /nfs/dbraw/zinc/17/52/31/583175231.db2.gz QBONKVVVIUSAIA-RYUDHWBXSA-N 1 3 259.325 -0.427 20 0 CBADHO COC[C@]1(CNC(=O)[C@]2(F)CCNC2)CCC[NH2+]1 ZINC000841851428 583175389 /nfs/dbraw/zinc/17/53/89/583175389.db2.gz QBONKVVVIUSAIA-NEPJUHHUSA-N 1 3 259.325 -0.427 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCCCC1 ZINC000842014238 583177618 /nfs/dbraw/zinc/17/76/18/583177618.db2.gz ATQAXNBRRXCODT-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842014849 583177733 /nfs/dbraw/zinc/17/77/33/583177733.db2.gz FOCLVVCMZYALAV-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000842014298 583177874 /nfs/dbraw/zinc/17/78/74/583177874.db2.gz BUWQELYUHKIDIL-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016013 583178052 /nfs/dbraw/zinc/17/80/52/583178052.db2.gz QJPBRJLJKXQPBY-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016038 583178274 /nfs/dbraw/zinc/17/82/74/583178274.db2.gz QUBCLSDYRMQXHQ-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(F)CCNC1 ZINC000843339245 583210532 /nfs/dbraw/zinc/21/05/32/583210532.db2.gz YSUGMNMGRFVSBN-LBPRGKRZSA-N 1 3 258.341 -0.948 20 0 CBADHO CN(CC(=O)NCC(=O)N1CCCC1)C1CCC([NH3+])CC1 ZINC000843355422 583211952 /nfs/dbraw/zinc/21/19/52/583211952.db2.gz OANNKOCKKJZSNU-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000843504881 583231984 /nfs/dbraw/zinc/23/19/84/583231984.db2.gz CXVYXOXOAGBSLJ-HTQZYQBOSA-N 1 3 251.334 -0.089 20 0 CBADHO CN1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844166873 583255688 /nfs/dbraw/zinc/25/56/88/583255688.db2.gz UPMQHMHWNQQQGK-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844174690 583256739 /nfs/dbraw/zinc/25/67/39/583256739.db2.gz AMTNIZCJSMDNGK-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844174689 583256883 /nfs/dbraw/zinc/25/68/83/583256883.db2.gz AMTNIZCJSMDNGK-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844174876 583257349 /nfs/dbraw/zinc/25/73/49/583257349.db2.gz HBLKCPZDLDESBX-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178950 583257899 /nfs/dbraw/zinc/25/78/99/583257899.db2.gz AGZJGEMWSOVBBN-LBELIVKGSA-N 1 3 265.357 -0.284 20 0 CBADHO CC[NH2+]CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000844180430 583258359 /nfs/dbraw/zinc/25/83/59/583258359.db2.gz DOLMTBZCMJAWCP-UHFFFAOYSA-N 1 3 282.388 -0.638 20 0 CBADHO CC[NH2+]CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000844180649 583258453 /nfs/dbraw/zinc/25/84/53/583258453.db2.gz JEGNELUMXMJNRN-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CCN(CCCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844191308 583260095 /nfs/dbraw/zinc/26/00/95/583260095.db2.gz LHEVAITWJVOEOB-AWEZNQCLSA-N 1 3 298.431 -0.491 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674475 583382159 /nfs/dbraw/zinc/38/21/59/583382159.db2.gz YZBMLYSFEJYXCR-JLNYLFASSA-N 1 3 295.383 -0.798 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](C)NC2CC2)C[C@H]1C[NH3+] ZINC000846694982 583384040 /nfs/dbraw/zinc/38/40/40/583384040.db2.gz GTNWWMYKCJXWJI-HOSYDEDBSA-N 1 3 255.362 -0.051 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@]2(F)CCNC2)C[C@H]1C[NH3+] ZINC000846695224 583384311 /nfs/dbraw/zinc/38/43/11/583384311.db2.gz URGASNRGTVKZIE-FOGDFJRCSA-N 1 3 259.325 -0.490 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846718146 583386026 /nfs/dbraw/zinc/38/60/26/583386026.db2.gz SVXKQVCYUFPBKA-DYEKYZERSA-N 1 3 267.373 -0.177 20 0 CBADHO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848605193 583451921 /nfs/dbraw/zinc/45/19/21/583451921.db2.gz KIXVFYYLJCYBGV-CHWSQXEVSA-N 1 3 284.404 -0.034 20 0 CBADHO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848605195 583451924 /nfs/dbraw/zinc/45/19/24/583451924.db2.gz KIXVFYYLJCYBGV-QWHCGFSZSA-N 1 3 284.404 -0.034 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848616413 583453237 /nfs/dbraw/zinc/45/32/37/583453237.db2.gz MGZDBLJRZGDTRB-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(C)=O ZINC000848981199 583463786 /nfs/dbraw/zinc/46/37/86/583463786.db2.gz AEMINMMTFFFPCO-LLVKDONJSA-N 1 3 255.366 -0.279 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOCCO ZINC000848981000 583463798 /nfs/dbraw/zinc/46/37/98/583463798.db2.gz SFFKZFKULAZGOO-LLVKDONJSA-N 1 3 258.366 -0.406 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)NC ZINC000848993500 583465040 /nfs/dbraw/zinc/46/50/40/583465040.db2.gz AQOOGZUEEGEHLU-SNVBAGLBSA-N 1 3 255.366 -0.279 20 0 CBADHO C[C@@H]1CN(C(=[NH2+])NCCN2CCCN(C)CC2)CCO1 ZINC000848994162 583465369 /nfs/dbraw/zinc/46/53/69/583465369.db2.gz ZSWMLCGRAFBEBB-CYBMUJFWSA-N 1 3 283.420 -0.131 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCN1C ZINC000849008012 583467374 /nfs/dbraw/zinc/46/73/74/583467374.db2.gz LRJZGMOZWLQRMF-KBPBESRZSA-N 1 3 296.463 -0.170 20 0 CBADHO COCCNC(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000849026463 583469238 /nfs/dbraw/zinc/46/92/38/583469238.db2.gz CGBYZXKZFZDJDD-UHFFFAOYSA-N 1 3 271.409 -0.227 20 0 CBADHO CN(C)C(=[NH2+])NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849041698 583471564 /nfs/dbraw/zinc/47/15/64/583471564.db2.gz KTFPRXMWOZLGJF-UHFFFAOYSA-N 1 3 283.420 -0.131 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655926 583518024 /nfs/dbraw/zinc/51/80/24/583518024.db2.gz CRAMTENYEWFRCZ-SDDRHHMPSA-N 1 3 268.361 -0.489 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852793189 583552739 /nfs/dbraw/zinc/55/27/39/583552739.db2.gz UDQXKYXPGQPAPZ-ATZCPNFKSA-N 1 3 254.334 -0.182 20 0 CBADHO CCCN(C(=O)C1=NO[C@H](CN)C1)[C@H]1CC[NH2+]C1 ZINC000852796744 583552997 /nfs/dbraw/zinc/55/29/97/583552997.db2.gz WZEDJQZTMXIAMJ-UWVGGRQHSA-N 1 3 254.334 -0.310 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852795868 583553000 /nfs/dbraw/zinc/55/30/00/583553000.db2.gz KCPXOZKHURIVHL-PSASIEDQSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852795869 583553004 /nfs/dbraw/zinc/55/30/04/583553004.db2.gz KCPXOZKHURIVHL-SCZZXKLOSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)[C@@H]1C[NH3+] ZINC000852798184 583553248 /nfs/dbraw/zinc/55/32/48/583553248.db2.gz HIJOMHOUSOWYEQ-WCABBAIRSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)C[C@@H](C)N1 ZINC000852824685 583556568 /nfs/dbraw/zinc/55/65/68/583556568.db2.gz DWVJZXZTNPBJRH-UTUOFQBUSA-N 1 3 267.373 -0.036 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1NCC12CCOCC2 ZINC000852825570 583556901 /nfs/dbraw/zinc/55/69/01/583556901.db2.gz RXXUIKBDSXUWOX-MNOVXSKESA-N 1 3 253.346 -0.377 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852860130 583562147 /nfs/dbraw/zinc/56/21/47/583562147.db2.gz KXMRKYBHEFZYPE-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852860130 583562148 /nfs/dbraw/zinc/56/21/48/583562148.db2.gz KXMRKYBHEFZYPE-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@H](CN)C1)C[NH+]1CCCC1 ZINC000852860269 583562520 /nfs/dbraw/zinc/56/25/20/583562520.db2.gz OTRNVUAWHLYSSG-QWRGUYRKSA-N 1 3 268.361 -0.062 20 0 CBADHO COCCN(C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852863795 583563144 /nfs/dbraw/zinc/56/31/44/583563144.db2.gz IRHXLQNRCGKFJW-UHFFFAOYSA-N 1 3 255.362 -0.009 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCN(C3CC3)C2)=NO1 ZINC000852863119 583563201 /nfs/dbraw/zinc/56/32/01/583563201.db2.gz QPLCMYYMZFSRKK-SCZZXKLOSA-N 1 3 252.318 -0.557 20 0 CBADHO C[NH+]1CCC(CNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852863389 583563213 /nfs/dbraw/zinc/56/32/13/583563213.db2.gz MZFOFQARQMFGRL-JTQLQIEISA-N 1 3 254.334 -0.452 20 0 CBADHO [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCN(C3CC3)C2)=NO1 ZINC000852863118 583563370 /nfs/dbraw/zinc/56/33/70/583563370.db2.gz QPLCMYYMZFSRKK-PSASIEDQSA-N 1 3 252.318 -0.557 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852864605 583563569 /nfs/dbraw/zinc/56/35/69/583563569.db2.gz BIVIPVHBSGIUKV-UWVGGRQHSA-N 1 3 254.334 -0.357 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000852864298 583563592 /nfs/dbraw/zinc/56/35/92/583563592.db2.gz RJOGELXTWSXJRT-VOAKCMCISA-N 1 3 283.372 -0.670 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)C2=NO[C@@H](CN)C2)n1 ZINC000852864500 583563608 /nfs/dbraw/zinc/56/36/08/583563608.db2.gz XVPNYHBFMZHOIT-SECBINFHSA-N 1 3 280.332 -0.513 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)[N@H+](C)C1CC1 ZINC000852865164 583563919 /nfs/dbraw/zinc/56/39/19/583563919.db2.gz SVZNDBCIZQILNO-PSASIEDQSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)[N@@H+](C)C1CC1 ZINC000852865164 583563921 /nfs/dbraw/zinc/56/39/21/583563921.db2.gz SVZNDBCIZQILNO-PSASIEDQSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@H](CN)C1)[N@H+](C)C1CC1 ZINC000852865167 583564099 /nfs/dbraw/zinc/56/40/99/583564099.db2.gz SVZNDBCIZQILNO-WPRPVWTQSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@H](CN)C1)[N@@H+](C)C1CC1 ZINC000852865167 583564101 /nfs/dbraw/zinc/56/41/01/583564101.db2.gz SVZNDBCIZQILNO-WPRPVWTQSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)[N@H+](C)C1CC1 ZINC000852865166 583564131 /nfs/dbraw/zinc/56/41/31/583564131.db2.gz SVZNDBCIZQILNO-WCBMZHEXSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)[N@@H+](C)C1CC1 ZINC000852865166 583564133 /nfs/dbraw/zinc/56/41/33/583564133.db2.gz SVZNDBCIZQILNO-WCBMZHEXSA-N 1 3 254.334 -0.311 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)c1[nH]nc2c1CNCC2 ZINC000852866556 583564313 /nfs/dbraw/zinc/56/43/13/583564313.db2.gz XNWMEOKKUNCWOM-UHFFFAOYSA-N 1 3 261.329 -0.463 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870540 583564760 /nfs/dbraw/zinc/56/47/60/583564760.db2.gz VQSKBMJETDQGPO-GHMZBOCLSA-N 1 3 268.361 -0.110 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870540 583564761 /nfs/dbraw/zinc/56/47/61/583564761.db2.gz VQSKBMJETDQGPO-GHMZBOCLSA-N 1 3 268.361 -0.110 20 0 CBADHO CC[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CC[C@@H]1[NH3+] ZINC000852879208 583566444 /nfs/dbraw/zinc/56/64/44/583566444.db2.gz RUAKIDOWIPKAGM-BBBLOLIVSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852881229 583566721 /nfs/dbraw/zinc/56/67/21/583566721.db2.gz SZWCXSIZIJMRMY-REIXXSIJSA-N 1 3 254.334 -0.407 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880610 583566835 /nfs/dbraw/zinc/56/68/35/583566835.db2.gz NVIJTQZBYGPQCJ-VXGBXAGGSA-N 1 3 280.372 -0.062 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852882246 583567474 /nfs/dbraw/zinc/56/74/74/583567474.db2.gz AZIKXVGIVOECTI-PSASIEDQSA-N 1 3 254.334 -0.406 20 0 CBADHO NC[C@H]1CC(C(=O)NCCC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852882617 583567505 /nfs/dbraw/zinc/56/75/05/583567505.db2.gz MXCXRZGFNZRVPF-VHSXEESVSA-N 1 3 254.334 -0.262 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H](CC[NH3+])C(F)(F)F)=NO1 ZINC000852883290 583567709 /nfs/dbraw/zinc/56/77/09/583567709.db2.gz XGAPKZNLFMVXQI-IYSWYEEDSA-N 1 3 268.239 -0.514 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC3CCC2(C[NH3+])CC3)=NO1 ZINC000852893437 583570744 /nfs/dbraw/zinc/57/07/44/583570744.db2.gz GWXXSZDJJFPBAC-QUNCOHTASA-N 1 3 266.345 -0.180 20 0 CBADHO N[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000852918587 583574764 /nfs/dbraw/zinc/57/47/64/583574764.db2.gz FJKROQVIGJABDA-HBNTYKKESA-N 1 3 259.325 -0.347 20 0 CBADHO C[NH+](C)CCN1CCN(c2ccnc(CO)c2)CC1=O ZINC000858604487 583699205 /nfs/dbraw/zinc/69/92/05/583699205.db2.gz KSKPBQDMWLZMSU-UHFFFAOYSA-N 1 3 278.356 -0.216 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861574832 583771391 /nfs/dbraw/zinc/77/13/91/583771391.db2.gz ZAXZNNXLVFMLGE-QNWHQSFQSA-N 1 3 282.388 -0.101 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000861592581 583771898 /nfs/dbraw/zinc/77/18/98/583771898.db2.gz NRUBCQVILHDEJF-QWHCGFSZSA-N 1 3 285.436 -0.142 20 0 CBADHO [NH3+]C1(CNC(=O)N[C@@H]2CNCCC2(F)F)CCOCC1 ZINC000861646928 583775201 /nfs/dbraw/zinc/77/52/01/583775201.db2.gz WQNQQLRSSBGFGY-SECBINFHSA-N 1 3 292.330 -0.209 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861647050 583775470 /nfs/dbraw/zinc/77/54/70/583775470.db2.gz ZKCATNMSHGRJJE-ZJUUUORDSA-N 1 3 292.330 -0.651 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861744209 583783301 /nfs/dbraw/zinc/78/33/01/583783301.db2.gz USKBGKQPECFBSC-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000861763372 583785013 /nfs/dbraw/zinc/78/50/13/583785013.db2.gz WGVFGVGOLIHSHQ-MNOVXSKESA-N 1 3 282.388 -0.441 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000863751664 583852608 /nfs/dbraw/zinc/85/26/08/583852608.db2.gz NCYDJHXZRMAAEM-MNOVXSKESA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000863754973 583853030 /nfs/dbraw/zinc/85/30/30/583853030.db2.gz XVUFAROMYXHDPD-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000863754975 583853062 /nfs/dbraw/zinc/85/30/62/583853062.db2.gz XVUFAROMYXHDPD-RYUDHWBXSA-N 1 3 282.388 -0.511 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000863755417 583853225 /nfs/dbraw/zinc/85/32/25/583853225.db2.gz PFRGSBBOJLHOLP-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000863761873 583854346 /nfs/dbraw/zinc/85/43/46/583854346.db2.gz RXMXNHLTEHRDJX-UTUOFQBUSA-N 1 3 282.388 -0.513 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCNC1=O ZINC000865177227 583899591 /nfs/dbraw/zinc/89/95/91/583899591.db2.gz BRWYEWJHWSKDJT-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CC[NH+]1CCC(NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC000866557126 583924305 /nfs/dbraw/zinc/92/43/05/583924305.db2.gz YUJAYUADEVJUHA-HNNXBMFYSA-N 1 3 297.399 -0.312 20 0 CBADHO Cn1nnnc1CCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866665985 583926574 /nfs/dbraw/zinc/92/65/74/583926574.db2.gz JVSKXQYCCWTVCW-OCCSQVGLSA-N 1 3 294.403 -0.029 20 0 CBADHO CCOCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707637 583927800 /nfs/dbraw/zinc/92/78/00/583927800.db2.gz JAJLWZHZWKOWCQ-TUAOUCFPSA-N 1 3 269.345 -0.110 20 0 CBADHO CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCC4(CNC4)O3)C[C@H]2C1=O ZINC000866702208 583927837 /nfs/dbraw/zinc/92/78/37/583927837.db2.gz XHGDSMOFHBDOAA-MXWKQRLJSA-N 1 3 279.340 -0.946 20 0 CBADHO CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCC4(CNC4)O3)C[C@H]2C1=O ZINC000866702208 583927838 /nfs/dbraw/zinc/92/78/38/583927838.db2.gz XHGDSMOFHBDOAA-MXWKQRLJSA-N 1 3 279.340 -0.946 20 0 CBADHO CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCC4(CNC4)O3)C[C@H]2C1=O ZINC000866702207 583927890 /nfs/dbraw/zinc/92/78/90/583927890.db2.gz XHGDSMOFHBDOAA-GARJFASQSA-N 1 3 279.340 -0.946 20 0 CBADHO CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCC4(CNC4)O3)C[C@H]2C1=O ZINC000866702207 583927891 /nfs/dbraw/zinc/92/78/91/583927891.db2.gz XHGDSMOFHBDOAA-GARJFASQSA-N 1 3 279.340 -0.946 20 0 CBADHO COCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708049 583927901 /nfs/dbraw/zinc/92/79/01/583927901.db2.gz MORWCCWIMYIQJW-AXFHLTTASA-N 1 3 255.318 -0.500 20 0 CBADHO COCCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711287 583928067 /nfs/dbraw/zinc/92/80/67/583928067.db2.gz HBHQGRXCYDYOSF-TUAOUCFPSA-N 1 3 269.345 -0.110 20 0 CBADHO O=C1NCCO[C@@H]2CCCN(CC[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000866717909 583928637 /nfs/dbraw/zinc/92/86/37/583928637.db2.gz TZTTZYAGNZOKRU-XQQFMLRXSA-N 1 3 267.373 -0.035 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000868386687 583976626 /nfs/dbraw/zinc/97/66/26/583976626.db2.gz KNAUPMUFLXFSBC-CHWSQXEVSA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000868386687 583976627 /nfs/dbraw/zinc/97/66/27/583976627.db2.gz KNAUPMUFLXFSBC-CHWSQXEVSA-N 1 3 294.399 -0.639 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868395138 583977369 /nfs/dbraw/zinc/97/73/69/583977369.db2.gz HBDOOLURMLLEIX-NWDGAFQWSA-N 1 3 282.388 -0.654 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868395138 583977371 /nfs/dbraw/zinc/97/73/71/583977371.db2.gz HBDOOLURMLLEIX-NWDGAFQWSA-N 1 3 282.388 -0.654 20 0 CBADHO COCCN(C)C(=[NH2+])NCCCN(C)CCN(C)C ZINC000871605511 584043704 /nfs/dbraw/zinc/04/37/04/584043704.db2.gz GIDKFOPSWWMKAE-UHFFFAOYSA-N 1 3 273.425 -0.028 20 0 CBADHO CC1(C)CCNCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000872299653 584054752 /nfs/dbraw/zinc/05/47/52/584054752.db2.gz OANOHOVHMKXDMI-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO CC1(C)CCNCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000872297898 584054868 /nfs/dbraw/zinc/05/48/68/584054868.db2.gz YNZWKLFBKCAXKF-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)C[C@@H](N)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220356 584068947 /nfs/dbraw/zinc/06/89/47/584068947.db2.gz SXUCCLIUDCLXGI-MXWKQRLJSA-N 1 3 253.346 -0.094 20 0 CBADHO CC(C)C[C@@H](N)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000873220356 584068949 /nfs/dbraw/zinc/06/89/49/584068949.db2.gz SXUCCLIUDCLXGI-MXWKQRLJSA-N 1 3 253.346 -0.094 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@]12COC(=O)N1CCOC2 ZINC000873248326 584069073 /nfs/dbraw/zinc/06/90/73/584069073.db2.gz DBOHAABGBCJIOV-DMDPSCGWSA-N 1 3 269.345 -0.075 20 0 CBADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248326 584069075 /nfs/dbraw/zinc/06/90/75/584069075.db2.gz DBOHAABGBCJIOV-DMDPSCGWSA-N 1 3 269.345 -0.075 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]12COC(=O)N1CCOC2 ZINC000873248363 584069220 /nfs/dbraw/zinc/06/92/20/584069220.db2.gz DPRTVZJAOHXFBX-HOSYDEDBSA-N 1 3 257.334 -0.077 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]12COCCN1C(=O)COC2 ZINC000873265983 584069566 /nfs/dbraw/zinc/06/95/66/584069566.db2.gz KVWAYZGOGVLGFS-LOWVWBTDSA-N 1 3 271.361 -0.670 20 0 CBADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873265372 584069576 /nfs/dbraw/zinc/06/95/76/584069576.db2.gz HOIASCSHEIBATD-MDZLAQPJSA-N 1 3 269.345 -0.916 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000873267531 584069885 /nfs/dbraw/zinc/06/98/85/584069885.db2.gz ZQFLRXYOWGPLDI-OBJOEFQTSA-N 1 3 283.372 -0.669 20 0 CBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267531 584069887 /nfs/dbraw/zinc/06/98/87/584069887.db2.gz ZQFLRXYOWGPLDI-OBJOEFQTSA-N 1 3 283.372 -0.669 20 0 CBADHO COC(OC)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000874381941 584082506 /nfs/dbraw/zinc/08/25/06/584082506.db2.gz DETRYAGWRZJUPH-UHFFFAOYSA-N 1 3 261.366 -0.443 20 0 CBADHO N[C@H]1CCO[C@H]1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518443 584130839 /nfs/dbraw/zinc/13/08/39/584130839.db2.gz QNOFZEAWZFGONT-QWHCGFSZSA-N 1 3 263.341 -0.080 20 0 CBADHO CN(C(=O)CN1CCNCC1)C1CCC([NH3+])CC1 ZINC000876541175 584132376 /nfs/dbraw/zinc/13/23/76/584132376.db2.gz YAJQRMSYGVVVQR-UHFFFAOYSA-N 1 3 254.378 -0.380 20 0 CBADHO CCCN(C(=O)[C@@H](N)CN(C)C)C1CC[NH2+]CC1 ZINC000876706808 584140126 /nfs/dbraw/zinc/14/01/26/584140126.db2.gz HKYQJYYHSYZMHB-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO C[NH+](C)C[C@H](N)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000876723456 584140937 /nfs/dbraw/zinc/14/09/37/584140937.db2.gz ATSMGJXVYBYOMQ-AWEZNQCLSA-N 1 3 298.431 -0.554 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000876743516 584141584 /nfs/dbraw/zinc/14/15/84/584141584.db2.gz FJHUWYFHFDZHTQ-JTQLQIEISA-N 1 3 268.365 -0.728 20 0 CBADHO COCCN(C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876744937 584141960 /nfs/dbraw/zinc/14/19/60/584141960.db2.gz HTTKOUSIDYXMKW-GHMZBOCLSA-N 1 3 261.341 -0.372 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876762218 584143224 /nfs/dbraw/zinc/14/32/24/584143224.db2.gz CMGGQEHUOMCNSH-OLZOCXBDSA-N 1 3 270.421 -0.031 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876762218 584143225 /nfs/dbraw/zinc/14/32/25/584143225.db2.gz CMGGQEHUOMCNSH-OLZOCXBDSA-N 1 3 270.421 -0.031 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CN(C)C)C(C)(C)C[NH+](C)C ZINC000876772431 584143560 /nfs/dbraw/zinc/14/35/60/584143560.db2.gz MJLHQJOLELPDTQ-QWRGUYRKSA-N 1 3 258.410 -0.032 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)C(C)(C)C[NH+](C)C ZINC000876772430 584143685 /nfs/dbraw/zinc/14/36/85/584143685.db2.gz MJLHQJOLELPDTQ-MNOVXSKESA-N 1 3 258.410 -0.032 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000876772698 584143737 /nfs/dbraw/zinc/14/37/37/584143737.db2.gz RAOXUJABDSDGCN-SRVKXCTJSA-N 1 3 256.394 -0.184 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000876772698 584143738 /nfs/dbraw/zinc/14/37/38/584143738.db2.gz RAOXUJABDSDGCN-SRVKXCTJSA-N 1 3 256.394 -0.184 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876782249 584144206 /nfs/dbraw/zinc/14/42/06/584144206.db2.gz VBBXGIZDWIGVAQ-QWHCGFSZSA-N 1 3 286.395 -0.312 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000876799608 584145517 /nfs/dbraw/zinc/14/55/17/584145517.db2.gz IHIPEHKBYDMRSL-QCNOEVLYSA-N 1 3 254.378 -0.539 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841620 584148519 /nfs/dbraw/zinc/14/85/19/584148519.db2.gz BMAXFWPLQLRHSM-NTZNESFSSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844183 584148633 /nfs/dbraw/zinc/14/86/33/584148633.db2.gz WPRDJZBNBWRUJC-AWEZNQCLSA-N 1 3 278.400 -0.095 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000876869738 584151511 /nfs/dbraw/zinc/15/15/11/584151511.db2.gz COMNFOKRHSJVDB-NKWVEPMBSA-N 1 3 256.272 -0.729 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876884677 584153069 /nfs/dbraw/zinc/15/30/69/584153069.db2.gz RONNFFCTRZKIAH-SRVKXCTJSA-N 1 3 256.394 -0.326 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876884677 584153071 /nfs/dbraw/zinc/15/30/71/584153071.db2.gz RONNFFCTRZKIAH-SRVKXCTJSA-N 1 3 256.394 -0.326 20 0 CBADHO CN(C)CCOCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876890391 584153681 /nfs/dbraw/zinc/15/36/81/584153681.db2.gz XVKSYEWBBZZIIE-WDEREUQCSA-N 1 3 261.341 -0.372 20 0 CBADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1CC[NH3+] ZINC000876949009 584157610 /nfs/dbraw/zinc/15/76/10/584157610.db2.gz NQHJUEMLSZIYGO-WOPDTQHZSA-N 1 3 256.394 -0.149 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876965633 584158555 /nfs/dbraw/zinc/15/85/55/584158555.db2.gz JGOVJTUJHDFCIL-RYUDHWBXSA-N 1 3 298.431 -0.162 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006256 584161444 /nfs/dbraw/zinc/16/14/44/584161444.db2.gz ZCCMNMSNPANCPL-PSASIEDQSA-N 1 3 252.318 -0.509 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116456 584167160 /nfs/dbraw/zinc/16/71/60/584167160.db2.gz YAXMOUSPLNYWNT-KBPBESRZSA-N 1 3 298.431 -0.508 20 0 CBADHO O=C(c1[nH]nc2c1CNCC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170492 584168950 /nfs/dbraw/zinc/16/89/50/584168950.db2.gz OZLAZRCUJQCKKL-DTORHVGOSA-N 1 3 261.329 -0.368 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246007 584171970 /nfs/dbraw/zinc/17/19/70/584171970.db2.gz MPPQBRQQIHETIU-USZNOCQGSA-N 1 3 254.378 -0.478 20 0 CBADHO O=C(CN1CCNCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246218 584172383 /nfs/dbraw/zinc/17/23/83/584172383.db2.gz RSRFDMPJGRVOLU-CLLJXQQHSA-N 1 3 266.389 -0.462 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250958 584172679 /nfs/dbraw/zinc/17/26/79/584172679.db2.gz UZRGNTNTUSPQKW-GRYCIOLGSA-N 1 3 254.378 -0.572 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250958 584172681 /nfs/dbraw/zinc/17/26/81/584172681.db2.gz UZRGNTNTUSPQKW-GRYCIOLGSA-N 1 3 254.378 -0.572 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)=NO1 ZINC000877264867 584173805 /nfs/dbraw/zinc/17/38/05/584173805.db2.gz AYFNTQVSPMJULR-SCVCMEIPSA-N 1 3 266.345 -0.310 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877267282 584173888 /nfs/dbraw/zinc/17/38/88/584173888.db2.gz WOMJWMGHMAIRQV-SRVKXCTJSA-N 1 3 254.378 -0.524 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)=NO1 ZINC000877264865 584173906 /nfs/dbraw/zinc/17/39/06/584173906.db2.gz AYFNTQVSPMJULR-JFGNBEQYSA-N 1 3 266.345 -0.310 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877279877 584175715 /nfs/dbraw/zinc/17/57/15/584175715.db2.gz AECSJHMYSZSELP-LOWVWBTDSA-N 1 3 282.388 -0.561 20 0 CBADHO CN[C@@H](C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329112 584178592 /nfs/dbraw/zinc/17/85/92/584178592.db2.gz RAGPJBGMXASNDL-QWRGUYRKSA-N 1 3 255.362 -0.131 20 0 CBADHO NC1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000877336321 584179031 /nfs/dbraw/zinc/17/90/31/584179031.db2.gz JOSRWYQYIUEBKJ-JTQLQIEISA-N 1 3 253.346 -0.247 20 0 CBADHO CN1CCC(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982539 584189640 /nfs/dbraw/zinc/18/96/40/584189640.db2.gz WNGKVBFETFKRHD-RYUDHWBXSA-N 1 3 266.389 -0.652 20 0 CBADHO C[C@H]1C[N@H+](CCn2cnnn2)CC[C@H]1N1CCN(C)CC1 ZINC000878324963 584199751 /nfs/dbraw/zinc/19/97/51/584199751.db2.gz PPAAOAYGQUJLCG-UONOGXRCSA-N 1 3 293.419 -0.369 20 0 CBADHO C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1N1CCN(C)CC1 ZINC000878324963 584199752 /nfs/dbraw/zinc/19/97/52/584199752.db2.gz PPAAOAYGQUJLCG-UONOGXRCSA-N 1 3 293.419 -0.369 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535070 584239042 /nfs/dbraw/zinc/23/90/42/584239042.db2.gz FNRUHRNTFHZZQH-SDDRHHMPSA-N 1 3 283.372 -0.766 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535070 584239043 /nfs/dbraw/zinc/23/90/43/584239043.db2.gz FNRUHRNTFHZZQH-SDDRHHMPSA-N 1 3 283.372 -0.766 20 0 CBADHO CN1CC[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574007 584241234 /nfs/dbraw/zinc/24/12/34/584241234.db2.gz VQGTUMWRXQQLHL-MNOVXSKESA-N 1 3 268.361 -0.013 20 0 CBADHO CN1CC[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574007 584241236 /nfs/dbraw/zinc/24/12/36/584241236.db2.gz VQGTUMWRXQQLHL-MNOVXSKESA-N 1 3 268.361 -0.013 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580329 584241758 /nfs/dbraw/zinc/24/17/58/584241758.db2.gz SNQXOZQYBLCZPE-SOUVJXGZSA-N 1 3 285.432 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580329 584241760 /nfs/dbraw/zinc/24/17/60/584241760.db2.gz SNQXOZQYBLCZPE-SOUVJXGZSA-N 1 3 285.432 -0.049 20 0 CBADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCn2cnnn2)CC1 ZINC000883431801 584342044 /nfs/dbraw/zinc/34/20/44/584342044.db2.gz DNWQEGOHSIIMSN-STQMWFEESA-N 1 3 280.376 -0.109 20 0 CBADHO c1nnnn1CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000883437853 584342518 /nfs/dbraw/zinc/34/25/18/584342518.db2.gz CMFXUYATCROIDI-ZDUSSCGKSA-N 1 3 280.376 -0.236 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000883644111 584345778 /nfs/dbraw/zinc/34/57/78/584345778.db2.gz BRASJXDWYJJOTD-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C(=O)c1ccnc(N2CCNCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000884028415 584356387 /nfs/dbraw/zinc/35/63/87/584356387.db2.gz GHGKWBHOROMMLE-CYBMUJFWSA-N 1 3 289.383 -0.075 20 0 CBADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000884041959 584357271 /nfs/dbraw/zinc/35/72/71/584357271.db2.gz LYOAGNXFBFAABN-RYUDHWBXSA-N 1 3 256.394 -0.278 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884238944 584369609 /nfs/dbraw/zinc/36/96/09/584369609.db2.gz KOUFIHNLUYUWCQ-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](C[NH3+])NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884252014 584370201 /nfs/dbraw/zinc/37/02/01/584370201.db2.gz ZEBLWZBEBOKFGO-SNVBAGLBSA-N 1 3 263.345 -0.432 20 0 CBADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285997 584372167 /nfs/dbraw/zinc/37/21/67/584372167.db2.gz WBLMQSXMXCKAAD-OLZOCXBDSA-N 1 3 266.389 -0.380 20 0 CBADHO N[C@H](CC1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884289162 584372254 /nfs/dbraw/zinc/37/22/54/584372254.db2.gz VDFUGSWXBRXKHX-CHWSQXEVSA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884577926 584388720 /nfs/dbraw/zinc/38/87/20/584388720.db2.gz OVCPQMGTQILWRZ-AGIUHOORSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884577927 584388747 /nfs/dbraw/zinc/38/87/47/584388747.db2.gz OVCPQMGTQILWRZ-AVGNSLFASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000884576192 584388784 /nfs/dbraw/zinc/38/87/84/584388784.db2.gz BNJJEEWICBSHKQ-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000884601526 584389659 /nfs/dbraw/zinc/38/96/59/584389659.db2.gz NYNHXTGTZMNQIR-GHMZBOCLSA-N 1 3 282.388 -0.465 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000884601306 584389740 /nfs/dbraw/zinc/38/97/40/584389740.db2.gz HJUVVAWLYJYWSZ-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(CCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000884601215 584389749 /nfs/dbraw/zinc/38/97/49/584389749.db2.gz DVSWEDFLLJNDBJ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(C)C1CC1 ZINC000884616784 584391042 /nfs/dbraw/zinc/39/10/42/584391042.db2.gz BRWFWNGAWYQFGT-SCVCMEIPSA-N 1 3 280.372 -0.842 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N(C)C1CC1 ZINC000884617520 584391244 /nfs/dbraw/zinc/39/12/44/584391244.db2.gz NKSUEWPVQLEXRL-GRYCIOLGSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C1=CCN(C)CC1 ZINC000884623727 584391468 /nfs/dbraw/zinc/39/14/68/584391468.db2.gz MPSYAHJJNMSTPV-MDZLAQPJSA-N 1 3 294.399 -0.299 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884627409 584391635 /nfs/dbraw/zinc/39/16/35/584391635.db2.gz OYOUTNXKIGMMQE-DGCLKSJQSA-N 1 3 294.399 -0.463 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884627409 584391637 /nfs/dbraw/zinc/39/16/37/584391637.db2.gz OYOUTNXKIGMMQE-DGCLKSJQSA-N 1 3 294.399 -0.463 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884627410 584391671 /nfs/dbraw/zinc/39/16/71/584391671.db2.gz OYOUTNXKIGMMQE-WCQYABFASA-N 1 3 294.399 -0.463 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884627410 584391673 /nfs/dbraw/zinc/39/16/73/584391673.db2.gz OYOUTNXKIGMMQE-WCQYABFASA-N 1 3 294.399 -0.463 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCC1(C)C ZINC000884677798 584395149 /nfs/dbraw/zinc/39/51/49/584395149.db2.gz DTZAQZIIYTZFDE-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000884689085 584397076 /nfs/dbraw/zinc/39/70/76/584397076.db2.gz YJODPGAZHAOKAE-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884704689 584399140 /nfs/dbraw/zinc/39/91/40/584399140.db2.gz PFJVQKYSFISWNM-VWYCJHECSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884704689 584399142 /nfs/dbraw/zinc/39/91/42/584399142.db2.gz PFJVQKYSFISWNM-VWYCJHECSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884705317 584399433 /nfs/dbraw/zinc/39/94/33/584399433.db2.gz PFJVQKYSFISWNM-AXFHLTTASA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884705317 584399436 /nfs/dbraw/zinc/39/94/36/584399436.db2.gz PFJVQKYSFISWNM-AXFHLTTASA-N 1 3 268.361 -0.998 20 0 CBADHO CCN(C(=O)C(=O)N(C)CCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000887066241 584460880 /nfs/dbraw/zinc/46/08/80/584460880.db2.gz HMHGTSRXHVWYSS-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@]2(C)C1 ZINC000887930778 584477873 /nfs/dbraw/zinc/47/78/73/584477873.db2.gz WRSJIVNGNJKBNH-FMKPAKJESA-N 1 3 292.427 -0.214 20 0 CBADHO C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@]2(C)C1 ZINC000887930778 584477876 /nfs/dbraw/zinc/47/78/76/584477876.db2.gz WRSJIVNGNJKBNH-FMKPAKJESA-N 1 3 292.427 -0.214 20 0 CBADHO CN(C)CCNc1nc(NCC[NH+](C)C)cc(C(N)=O)n1 ZINC000891418279 584580870 /nfs/dbraw/zinc/58/08/70/584580870.db2.gz YXKKVHDTAMXBEQ-UHFFFAOYSA-N 1 3 295.391 -0.478 20 0 CBADHO CCN(C(=O)NCCN(C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000891493174 584582533 /nfs/dbraw/zinc/58/25/33/584582533.db2.gz NDJCAEKOVKOFKQ-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891493180 584582622 /nfs/dbraw/zinc/58/26/22/584582622.db2.gz NIDCWYHWFWMYRI-TXEJJXNPSA-N 1 3 270.377 -0.290 20 0 CBADHO CN(C)CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891841979 584593061 /nfs/dbraw/zinc/59/30/61/584593061.db2.gz OXNBVSXRIOGYHG-TXEJJXNPSA-N 1 3 270.377 -0.290 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000891989667 584597570 /nfs/dbraw/zinc/59/75/70/584597570.db2.gz XSWDNUIGCFEXBG-LBPRGKRZSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892044041 584600823 /nfs/dbraw/zinc/60/08/23/584600823.db2.gz GOYCPJHYPWXKPJ-MNOVXSKESA-N 1 3 272.393 -0.274 20 0 CBADHO COCCNCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892055950 584602185 /nfs/dbraw/zinc/60/21/85/584602185.db2.gz NTDDCFGVFQYXAS-YPMHNXCESA-N 1 3 270.377 -0.194 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892140980 584605875 /nfs/dbraw/zinc/60/58/75/584605875.db2.gz GIEOHUNKTKKGPZ-VWYCJHECSA-N 1 3 272.393 -0.134 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892178481 584607679 /nfs/dbraw/zinc/60/76/79/584607679.db2.gz DNWMRBNBDYBTQI-AXFHLTTASA-N 1 3 254.334 -0.879 20 0 CBADHO [NH3+][C@H]1CCCCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000892179109 584607764 /nfs/dbraw/zinc/60/77/64/584607764.db2.gz GNZGGQXCDYJPBE-NWDGAFQWSA-N 1 3 270.377 -0.112 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CNCCO3)CC[C@H]21 ZINC000892181829 584608121 /nfs/dbraw/zinc/60/81/21/584608121.db2.gz VYBQNEGMFJJKGG-JHJVBQTASA-N 1 3 282.388 -0.290 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CNCCO3)CC[C@H]21 ZINC000892181829 584608124 /nfs/dbraw/zinc/60/81/24/584608124.db2.gz VYBQNEGMFJJKGG-JHJVBQTASA-N 1 3 282.388 -0.290 20 0 CBADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000892330297 584615148 /nfs/dbraw/zinc/61/51/48/584615148.db2.gz HUCHBDBEZDMUGY-AWEZNQCLSA-N 1 3 297.447 -0.031 20 0 CBADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000892330297 584615149 /nfs/dbraw/zinc/61/51/49/584615149.db2.gz HUCHBDBEZDMUGY-AWEZNQCLSA-N 1 3 297.447 -0.031 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000892435292 584616687 /nfs/dbraw/zinc/61/66/87/584616687.db2.gz VGZRMAIOKKCDOL-XDQVBPFNSA-N 1 3 296.415 -0.036 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548031 584618028 /nfs/dbraw/zinc/61/80/28/584618028.db2.gz JLKIVQYICUSFBB-TXEJJXNPSA-N 1 3 299.419 -0.615 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000892568548 584619355 /nfs/dbraw/zinc/61/93/55/584619355.db2.gz WHMOZHWTAJZKDB-GMTAPVOTSA-N 1 3 255.366 -0.992 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](CN)C1 ZINC000892586887 584620106 /nfs/dbraw/zinc/62/01/06/584620106.db2.gz GDRCRXUJBFGIMH-CRWXNKLISA-N 1 3 295.431 -0.199 20 0 CBADHO C[NH+](C)C1(C)CCN(c2nc(N)nc(N)n2)CC1 ZINC000894848176 584665883 /nfs/dbraw/zinc/66/58/83/584665883.db2.gz JFHSOZIGSSNSOM-UHFFFAOYSA-N 1 3 251.338 -0.044 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899734299 584777125 /nfs/dbraw/zinc/77/71/25/584777125.db2.gz ZRLMIKKHUFWAOS-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899734299 584777126 /nfs/dbraw/zinc/77/71/26/584777126.db2.gz ZRLMIKKHUFWAOS-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO 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OCDUVNHCLJGJAS-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NCC(=O)N2CCNCC2)C1 ZINC000902391112 584876396 /nfs/dbraw/zinc/87/63/96/584876396.db2.gz UIOIRFNRDVXUHF-LBPRGKRZSA-N 1 3 268.405 -0.214 20 0 CBADHO COCC(=O)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430494 584890321 /nfs/dbraw/zinc/89/03/21/584890321.db2.gz ULLWUVLBSPVZCT-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(N)=O)C2 ZINC000903492445 584891626 /nfs/dbraw/zinc/89/16/26/584891626.db2.gz DSVPHPJCAJJIIY-SREGZZRCSA-N 1 3 255.318 -0.928 20 0 CBADHO CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497194 584892005 /nfs/dbraw/zinc/89/20/05/584892005.db2.gz PPPMLHBOUJMXCT-GHMZBOCLSA-N 1 3 263.407 -0.158 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)N1CCNCC1 ZINC000903531441 584892749 /nfs/dbraw/zinc/89/27/49/584892749.db2.gz MBVXDXSFRDWRAX-NWDGAFQWSA-N 1 3 288.417 -0.660 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903539941 584892804 /nfs/dbraw/zinc/89/28/04/584892804.db2.gz HACCWTKSHAXCQQ-UHFFFAOYSA-N 1 3 293.433 -0.292 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903735127 584896532 /nfs/dbraw/zinc/89/65/32/584896532.db2.gz IBNJAIACZUDCMR-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO CN(C)C(=O)[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756445 584897701 /nfs/dbraw/zinc/89/77/01/584897701.db2.gz RUGYCPYMYBTXDG-IPYPFGDCSA-N 1 3 296.415 -0.883 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756054 584897712 /nfs/dbraw/zinc/89/77/12/584897712.db2.gz ONZTXJRYPPOGSI-TZMCWYRMSA-N 1 3 284.404 -0.042 20 0 CBADHO CC(=O)N[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903768649 584897953 /nfs/dbraw/zinc/89/79/53/584897953.db2.gz OHZDIXBXQWIGEC-HZSPNIEDSA-N 1 3 267.373 -0.035 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1 ZINC000903767514 584898041 /nfs/dbraw/zinc/89/80/41/584898041.db2.gz GQTWUGJCSYCXMU-RRFJBIMHSA-N 1 3 295.427 -0.104 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903768043 584898096 /nfs/dbraw/zinc/89/80/96/584898096.db2.gz PWBUHZQDMXIZJI-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@H]2C1=O ZINC000903777979 584899294 /nfs/dbraw/zinc/89/92/94/584899294.db2.gz HPLQPJSRWCTASJ-SDDRHHMPSA-N 1 3 265.357 -0.077 20 0 CBADHO CN(CCC(=O)N1CCN(C)CC1)C1(C[NH3+])CCOCC1 ZINC000903810049 584900571 /nfs/dbraw/zinc/90/05/71/584900571.db2.gz SYNAHVIECFIGMB-UHFFFAOYSA-N 1 3 298.431 -0.410 20 0 CBADHO CN1CCN(C(=O)CC[N@H+](C)C2(CN)CCOCC2)CC1 ZINC000903810049 584900572 /nfs/dbraw/zinc/90/05/72/584900572.db2.gz SYNAHVIECFIGMB-UHFFFAOYSA-N 1 3 298.431 -0.410 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+](C)C2(CN)CCOCC2)CC1 ZINC000903810049 584900574 /nfs/dbraw/zinc/90/05/74/584900574.db2.gz SYNAHVIECFIGMB-UHFFFAOYSA-N 1 3 298.431 -0.410 20 0 CBADHO O=S1(=O)C[C@H]2CN(CC[C@@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000903826889 584900924 /nfs/dbraw/zinc/90/09/24/584900924.db2.gz 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ZINC000903915893 584904523 /nfs/dbraw/zinc/90/45/23/584904523.db2.gz DFCVKLXZLMZDGI-DTWKUNHWSA-N 1 3 265.304 -0.194 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC000968996513 614074653 /nfs/dbraw/zinc/07/46/53/614074653.db2.gz JCGOVZLUFYSQCT-UPJWGTAASA-N 1 3 296.415 -0.348 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1)[NH+](C)C ZINC000968990160 614074809 /nfs/dbraw/zinc/07/48/09/614074809.db2.gz VUEPKXXTDFNNLN-UTUOFQBUSA-N 1 3 284.404 -0.363 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC000969076891 615603114 /nfs/dbraw/zinc/60/31/14/615603114.db2.gz FANLVGJIIJWUMC-FRRDWIJNSA-N 1 3 296.415 -0.252 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCO)C2)CCC1 ZINC000971673955 616112540 /nfs/dbraw/zinc/11/25/40/616112540.db2.gz KWROMKGGXATYCP-LBPRGKRZSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)CCC1 ZINC000971673955 616112542 /nfs/dbraw/zinc/11/25/42/616112542.db2.gz KWROMKGGXATYCP-LBPRGKRZSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)C1CC1 ZINC000971677376 616113149 /nfs/dbraw/zinc/11/31/49/616113149.db2.gz JQNDZBQUTKJZOV-QWHCGFSZSA-N 1 3 269.389 -0.148 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)C1CC1 ZINC000971677376 616113150 /nfs/dbraw/zinc/11/31/50/616113150.db2.gz JQNDZBQUTKJZOV-QWHCGFSZSA-N 1 3 269.389 -0.148 20 0 CBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC000969799700 616166655 /nfs/dbraw/zinc/16/66/55/616166655.db2.gz IVDBCJHLCIPQNQ-LLVKDONJSA-N 1 3 268.361 -0.996 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000967924878 616209880 /nfs/dbraw/zinc/20/98/80/616209880.db2.gz JZGDZGMEZXULLK-OLZOCXBDSA-N 1 3 292.387 -0.437 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000982150671 616264463 /nfs/dbraw/zinc/26/44/63/616264463.db2.gz PLUKJKYCOWDOLS-CYBMUJFWSA-N 1 3 281.400 -0.145 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000982150671 616264464 /nfs/dbraw/zinc/26/44/64/616264464.db2.gz PLUKJKYCOWDOLS-CYBMUJFWSA-N 1 3 281.400 -0.145 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]21 ZINC000923665643 658388309 /nfs/dbraw/zinc/38/83/09/658388309.db2.gz GABJLEDRGDTIFJ-KOLCDFICSA-N 1 3 259.375 -0.686 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]21 ZINC000923665643 658388321 /nfs/dbraw/zinc/38/83/21/658388321.db2.gz GABJLEDRGDTIFJ-KOLCDFICSA-N 1 3 259.375 -0.686 20 0 CBADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCOCCO ZINC000922111591 657992738 /nfs/dbraw/zinc/99/27/38/657992738.db2.gz YZCQBBBRTFCFFG-CYBMUJFWSA-N 1 3 287.404 -0.615 20 0 CBADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCOCCO ZINC000922111591 657992752 /nfs/dbraw/zinc/99/27/52/657992752.db2.gz YZCQBBBRTFCFFG-CYBMUJFWSA-N 1 3 287.404 -0.615 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCOCCO)CC[N@@H+]1C ZINC000922111712 657993594 /nfs/dbraw/zinc/99/35/94/657993594.db2.gz AVFIKQFTHAWSRM-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCOCCO)CC[N@H+]1C ZINC000922111712 657993606 /nfs/dbraw/zinc/99/36/06/657993606.db2.gz AVFIKQFTHAWSRM-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923673535 658394758 /nfs/dbraw/zinc/39/47/58/658394758.db2.gz GJJXVMUKDRXBIL-LLVKDONJSA-N 1 3 276.406 -0.790 20 0 CBADHO O=S(=O)(C1CNC1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923674271 658395289 /nfs/dbraw/zinc/39/52/89/658395289.db2.gz POJODDNNMQORQD-GFCCVEGCSA-N 1 3 273.402 -0.246 20 0 CBADHO CC[C@H](O)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378255 658246124 /nfs/dbraw/zinc/24/61/24/658246124.db2.gz TVHSRMOIEJOWSL-MELADBBJSA-N 1 3 296.415 -0.023 20 0 CBADHO COC(=O)CCNC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923484832 658305926 /nfs/dbraw/zinc/30/59/26/658305926.db2.gz OIBCOQNEZHYFHM-JTQLQIEISA-N 1 3 257.334 -0.664 20 0 CBADHO O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)C1CNC1 ZINC000923678290 658397550 /nfs/dbraw/zinc/39/75/50/658397550.db2.gz KISIPWAUYXEASI-GHMZBOCLSA-N 1 3 259.375 -0.590 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923572756 658334644 /nfs/dbraw/zinc/33/46/44/658334644.db2.gz LGTUTPINDDNLCW-GHMZBOCLSA-N 1 3 276.406 -0.804 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923571573 658334841 /nfs/dbraw/zinc/33/48/41/658334841.db2.gz FBBIXAUICRBBFC-NSHDSACASA-N 1 3 278.422 -0.511 20 0 CBADHO C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618205 658355843 /nfs/dbraw/zinc/35/58/43/658355843.db2.gz KINRBIOOLXKRQU-VXGBXAGGSA-N 1 3 290.433 -0.592 20 0 CBADHO [NH3+]CC[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923639357 658367907 /nfs/dbraw/zinc/36/79/07/658367907.db2.gz LQSACXBFCBCIDW-LLVKDONJSA-N 1 3 276.406 -0.803 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000923638378 658368732 /nfs/dbraw/zinc/36/87/32/658368732.db2.gz JLHWIZONZUUROZ-UHFFFAOYSA-N 1 3 259.375 -0.637 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923655335 658380552 /nfs/dbraw/zinc/38/05/52/658380552.db2.gz NPCHAHPBAXOURD-GFCCVEGCSA-N 1 3 287.429 0.000 20 0 CBADHO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)N1CCNCC1 ZINC000923655657 658380983 /nfs/dbraw/zinc/38/09/83/658380983.db2.gz LKVAAYGJLOZORY-LLVKDONJSA-N 1 3 276.406 -0.790 20 0 CBADHO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CNC1 ZINC000923656876 658381607 /nfs/dbraw/zinc/38/16/07/658381607.db2.gz VKAXXLQCKVAUBM-SECBINFHSA-N 1 3 259.375 -0.448 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@@H]21 ZINC000923665120 658387293 /nfs/dbraw/zinc/38/72/93/658387293.db2.gz BUOKGLLELMQOSY-NEPJUHHUSA-N 1 3 288.417 -0.838 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@@H]21 ZINC000923665120 658387307 /nfs/dbraw/zinc/38/73/07/658387307.db2.gz BUOKGLLELMQOSY-NEPJUHHUSA-N 1 3 288.417 -0.838 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(CCOCC[NH+](C)C)C1=O ZINC000924730055 658632539 /nfs/dbraw/zinc/63/25/39/658632539.db2.gz OCDLTNWYUYWVCE-SNVBAGLBSA-N 1 3 272.349 -0.953 20 0 CBADHO OCCCN1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925678531 658864995 /nfs/dbraw/zinc/86/49/95/658864995.db2.gz FPCMPWKKSDXQMB-QWHCGFSZSA-N 1 3 257.378 -0.589 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC[C@H]1CNCCS1(=O)=O ZINC000925789566 658872374 /nfs/dbraw/zinc/87/23/74/658872374.db2.gz WDXCAKACTOTVRD-AGIUHOORSA-N 1 3 289.445 -0.259 20 0 CBADHO CCOC(=O)C1([C@@H](C)N[C@H]2CNOC2)CC[NH2+]CC1 ZINC000925868465 658874517 /nfs/dbraw/zinc/87/45/17/658874517.db2.gz ZUGLQZNOQLLQTB-MNOVXSKESA-N 1 3 271.361 -0.199 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442475 659465180 /nfs/dbraw/zinc/46/51/80/659465180.db2.gz IESBNEVXKKHHEM-QPSCCSFWSA-N 1 3 284.400 -0.228 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442475 659465195 /nfs/dbraw/zinc/46/51/95/659465195.db2.gz IESBNEVXKKHHEM-QPSCCSFWSA-N 1 3 284.400 -0.228 20 0 CBADHO CC(=O)[C@](C)(O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481418 659470369 /nfs/dbraw/zinc/47/03/69/659470369.db2.gz IAVMMSFCRKDUCK-GFCCVEGCSA-N 1 3 258.362 -0.285 20 0 CBADHO C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)N1CCCCC1 ZINC000089699865 656055784 /nfs/dbraw/zinc/05/57/84/656055784.db2.gz PZMACLIEWVTDFG-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091667913 656059021 /nfs/dbraw/zinc/05/90/21/656059021.db2.gz BNXRJKWPXBCNNV-GRYCIOLGSA-N 1 3 255.362 -0.051 20 0 CBADHO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000091668488 656059109 /nfs/dbraw/zinc/05/91/09/656059109.db2.gz JYVIMTXHBCVCQM-YNEHKIRRSA-N 1 3 283.372 -0.656 20 0 CBADHO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000091668492 656059202 /nfs/dbraw/zinc/05/92/02/656059202.db2.gz JYVIMTXHBCVCQM-XQQFMLRXSA-N 1 3 283.372 -0.656 20 0 CBADHO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668486 656059283 /nfs/dbraw/zinc/05/92/83/656059283.db2.gz JYVIMTXHBCVCQM-JHJVBQTASA-N 1 3 283.372 -0.656 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000091668073 656059317 /nfs/dbraw/zinc/05/93/17/656059317.db2.gz LITFGCKVBFJIQI-UPJWGTAASA-N 1 3 267.373 -0.035 20 0 CBADHO CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CC[NH3+])C1 ZINC000125532733 656067653 /nfs/dbraw/zinc/06/76/53/656067653.db2.gz QWCGAEVYDLILAN-ZJUUUORDSA-N 1 3 256.350 -0.109 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000262135219 656129257 /nfs/dbraw/zinc/12/92/57/656129257.db2.gz OGDKCVVEEKTNBN-MDZLAQPJSA-N 1 3 284.404 -0.186 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262135212 656129460 /nfs/dbraw/zinc/12/94/60/656129460.db2.gz OGDKCVVEEKTNBN-GVXVVHGQSA-N 1 3 284.404 -0.186 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000702415513 656180602 /nfs/dbraw/zinc/18/06/02/656180602.db2.gz BMSPCKFIGOBGAS-AVGNSLFASA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000702415513 656180605 /nfs/dbraw/zinc/18/06/05/656180605.db2.gz BMSPCKFIGOBGAS-AVGNSLFASA-N 1 3 268.405 -0.182 20 0 CBADHO C[C@H](CNC(=O)[C@@H](N)CN(C)C)C[NH+]1CCCC1 ZINC000702418346 656180796 /nfs/dbraw/zinc/18/07/96/656180796.db2.gz BLOZLLDZMPPVIH-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000702424657 656181337 /nfs/dbraw/zinc/18/13/37/656181337.db2.gz ZCTOAGALRHJOFH-TUAOUCFPSA-N 1 3 254.378 -0.382 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000702424657 656181339 /nfs/dbraw/zinc/18/13/39/656181339.db2.gz ZCTOAGALRHJOFH-TUAOUCFPSA-N 1 3 254.378 -0.382 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000702425500 656181540 /nfs/dbraw/zinc/18/15/40/656181540.db2.gz AESSQCHGEBNQAB-LBPRGKRZSA-N 1 3 256.394 -0.325 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000703153691 656182902 /nfs/dbraw/zinc/18/29/02/656182902.db2.gz RCPYMTQHLFWJIF-KXNHARMFSA-N 1 3 269.345 -0.918 20 0 CBADHO CN1CCC[C@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000719192300 656234540 /nfs/dbraw/zinc/23/45/40/656234540.db2.gz NIIBIEYAIZOZND-JTQLQIEISA-N 1 3 251.334 -0.297 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399656 656247201 /nfs/dbraw/zinc/24/72/01/656247201.db2.gz OMSPJCQLMSHVRY-NTZNESFSSA-N 1 3 253.346 -0.234 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884787536 656254820 /nfs/dbraw/zinc/25/48/20/656254820.db2.gz VFDJIHIZIQUOFG-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903755679 656322574 /nfs/dbraw/zinc/32/25/74/656322574.db2.gz BOLNYUMRHAMAHG-LBPRGKRZSA-N 1 3 298.431 -0.019 20 0 CBADHO CNS(=O)(=O)[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320744 656324424 /nfs/dbraw/zinc/32/44/24/656324424.db2.gz NVSRKNKMPVXLBY-OUAUKWLOSA-N 1 3 261.391 -0.263 20 0 CBADHO c1cc(N2CC[NH2+]CC2)oc1CNC[C@@H]1COCCN1 ZINC000904380854 656326145 /nfs/dbraw/zinc/32/61/45/656326145.db2.gz IRGWEBWSDYMMCV-GFCCVEGCSA-N 1 3 280.372 -0.233 20 0 CBADHO CN1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1(C)C ZINC000905245024 656346646 /nfs/dbraw/zinc/34/66/46/656346646.db2.gz BHIAKEKMPBJJMD-ZDUSSCGKSA-N 1 3 285.432 -0.122 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCCNCC1 ZINC000905331222 656349841 /nfs/dbraw/zinc/34/98/41/656349841.db2.gz YYBBWTFPHSREHE-UHFFFAOYSA-N 1 3 261.391 -0.389 20 0 CBADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905340947 656350044 /nfs/dbraw/zinc/35/00/44/656350044.db2.gz KFXKTNNVRJJTAP-ZDUSSCGKSA-N 1 3 272.389 -0.301 20 0 CBADHO O[C@@H](CN[C@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467165 656359038 /nfs/dbraw/zinc/35/90/38/656359038.db2.gz TUWSYOWGFVSUMC-FQUUOJAGSA-N 1 3 272.389 -0.303 20 0 CBADHO O[C@H](CN[C@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467168 656359102 /nfs/dbraw/zinc/35/91/02/656359102.db2.gz TUWSYOWGFVSUMC-YIYPIFLZSA-N 1 3 272.389 -0.303 20 0 CBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300192 656407505 /nfs/dbraw/zinc/40/75/05/656407505.db2.gz KDLDJBBHLFQFHG-NWDGAFQWSA-N 1 3 296.415 -0.360 20 0 CBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCO ZINC000996356245 656409316 /nfs/dbraw/zinc/40/93/16/656409316.db2.gz RAASZYMUXIAHNS-NSHDSACASA-N 1 3 266.345 -0.229 20 0 CBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619011 656447468 /nfs/dbraw/zinc/44/74/68/656447468.db2.gz JCUPSFNNIBPOKO-UONOGXRCSA-N 1 3 297.399 -0.578 20 0 CBADHO CN(CC(=O)N1CCC([NH2+]CC(N)=O)CC1)C1CCC1 ZINC000996665676 656450672 /nfs/dbraw/zinc/45/06/72/656450672.db2.gz ONUVSBKVEVCJAO-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC000996978321 656462170 /nfs/dbraw/zinc/46/21/70/656462170.db2.gz ODOOAENGBLYTQO-CYBMUJFWSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997008003 656463496 /nfs/dbraw/zinc/46/34/96/656463496.db2.gz SVSWAPVATGKIHB-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC000997011138 656463643 /nfs/dbraw/zinc/46/36/43/656463643.db2.gz WSLDBROPAAIHOG-NSHDSACASA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363345 656625216 /nfs/dbraw/zinc/62/52/16/656625216.db2.gz GONBEHBKPXPBNT-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372820 656626488 /nfs/dbraw/zinc/62/64/88/656626488.db2.gz PEHVALVXGDLJEN-DGCLKSJQSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999467659 656631306 /nfs/dbraw/zinc/63/13/06/656631306.db2.gz DUXSUJZQXKYSJM-GRZMOONWSA-N 1 3 266.345 -0.088 20 0 CBADHO NC(=O)CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594540 656637779 /nfs/dbraw/zinc/63/77/79/656637779.db2.gz BIHZIRBWKXPSTF-LBPRGKRZSA-N 1 3 294.399 -0.319 20 0 CBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000908205305 656671977 /nfs/dbraw/zinc/67/19/77/656671977.db2.gz NLMJLKQMVJKQAL-HIFRSBDPSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000908205305 656671986 /nfs/dbraw/zinc/67/19/86/656671986.db2.gz NLMJLKQMVJKQAL-HIFRSBDPSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000191599 656699698 /nfs/dbraw/zinc/69/96/98/656699698.db2.gz JXPBTDSJUSMWFM-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192524 656701668 /nfs/dbraw/zinc/70/16/68/656701668.db2.gz MQTAMDZHEFJYFT-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000198858 656703707 /nfs/dbraw/zinc/70/37/07/656703707.db2.gz LMPNWRUUTBKYSX-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000687715 656759763 /nfs/dbraw/zinc/75/97/63/656759763.db2.gz HMPKOMLQPDHLNQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000687715 656759768 /nfs/dbraw/zinc/75/97/68/656759768.db2.gz HMPKOMLQPDHLNQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001000937182 656776812 /nfs/dbraw/zinc/77/68/12/656776812.db2.gz SKZXPVJZVXXISL-LLVKDONJSA-N 1 3 268.361 -0.852 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001151132 656801093 /nfs/dbraw/zinc/80/10/93/656801093.db2.gz LCWZJFCRQMWWHM-GXTWGEPZSA-N 1 3 281.400 -0.075 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001151132 656801095 /nfs/dbraw/zinc/80/10/95/656801095.db2.gz LCWZJFCRQMWWHM-GXTWGEPZSA-N 1 3 281.400 -0.075 20 0 CBADHO O=C(NC1CCN(CCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002828629 656842265 /nfs/dbraw/zinc/84/22/65/656842265.db2.gz KKZAQCLTYWZEQD-AWEZNQCLSA-N 1 3 281.400 -0.099 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003636855 656865888 /nfs/dbraw/zinc/86/58/88/656865888.db2.gz XNWWQBPDEZFVPP-AAEUAGOBSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003636855 656865890 /nfs/dbraw/zinc/86/58/90/656865890.db2.gz XNWWQBPDEZFVPP-AAEUAGOBSA-N 1 3 269.389 -0.243 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000911058473 656938592 /nfs/dbraw/zinc/93/85/92/656938592.db2.gz AACMKTHAGJJMHD-ADEWGFFLSA-N 1 3 280.372 -0.794 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911160502 656967214 /nfs/dbraw/zinc/96/72/14/656967214.db2.gz DAEMQPRLWFCMAC-UHFFFAOYSA-N 1 3 282.388 -0.558 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000911222278 656990566 /nfs/dbraw/zinc/99/05/66/656990566.db2.gz BYTWKXKMVZAHJO-NSHDSACASA-N 1 3 280.372 -0.806 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911259211 657000938 /nfs/dbraw/zinc/00/09/38/657000938.db2.gz WAQYEPUKXVSDHG-LLVKDONJSA-N 1 3 296.415 -0.170 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000911275845 657006441 /nfs/dbraw/zinc/00/64/41/657006441.db2.gz ZNKKOZXQMVPBMJ-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000911324528 657020519 /nfs/dbraw/zinc/02/05/19/657020519.db2.gz 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C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000911753802 657122821 /nfs/dbraw/zinc/12/28/21/657122821.db2.gz QRBDVKPXKXDHTJ-JQWIXIFHSA-N 1 3 254.378 -0.524 20 0 CBADHO CCCN(C(=O)[C@H]1CNCCN1C)[C@@H]1CC[NH2+]C1 ZINC000911766337 657124140 /nfs/dbraw/zinc/12/41/40/657124140.db2.gz DPIPGGWNZBIQMJ-VXGBXAGGSA-N 1 3 254.378 -0.510 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819760 657140369 /nfs/dbraw/zinc/14/03/69/657140369.db2.gz PZNLRPRJHCPMIB-STQMWFEESA-N 1 3 268.405 -0.086 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911828820 657142098 /nfs/dbraw/zinc/14/20/98/657142098.db2.gz DGTWHNCDDVJZBY-WCQYABFASA-N 1 3 256.394 -0.230 20 0 CBADHO CC[C@H](C)C[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911877709 657151767 /nfs/dbraw/zinc/15/17/67/657151767.db2.gz CLRXRZOGVCOEQQ-SRVKXCTJSA-N 1 3 256.394 -0.149 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCO)CC[N@@H+]1C ZINC000912599554 657289235 /nfs/dbraw/zinc/28/92/35/657289235.db2.gz 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CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001019033439 657859312 /nfs/dbraw/zinc/85/93/12/657859312.db2.gz ODLZMICSSPVUSO-QWHCGFSZSA-N 1 3 294.403 -0.191 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001019241583 657875576 /nfs/dbraw/zinc/87/55/76/657875576.db2.gz LIGJZSKVLHHIQZ-SDDRHHMPSA-N 1 3 282.388 -0.465 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019241565 657876148 /nfs/dbraw/zinc/87/61/48/657876148.db2.gz JRZATZYEZZHPTA-RWMBFGLXSA-N 1 3 294.399 -0.450 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001019397365 657893298 /nfs/dbraw/zinc/89/32/98/657893298.db2.gz WQWICSMGCJRAEF-SRVKXCTJSA-N 1 3 282.388 -0.594 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019436249 657895106 /nfs/dbraw/zinc/89/51/06/657895106.db2.gz UJFMOCNUYQMVFT-NSHDSACASA-N 1 3 289.343 -0.566 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019469931 657898371 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/nfs/dbraw/zinc/19/49/33/658194933.db2.gz DRVRNLICTDMSKX-XQQFMLRXSA-N 1 3 258.362 -0.034 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302574 658197868 /nfs/dbraw/zinc/19/78/68/658197868.db2.gz CPBMKXBIKWDZKV-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCN(CCOC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299942 658198848 /nfs/dbraw/zinc/19/88/48/658198848.db2.gz JXFJOAOBAHBOPZ-GFCCVEGCSA-N 1 3 258.362 -0.040 20 0 CBADHO NCC(C[NH3+])NCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000923350579 658223253 /nfs/dbraw/zinc/22/32/53/658223253.db2.gz CQEHMVVGWZUAJD-UHFFFAOYSA-N 1 3 281.747 -0.277 20 0 CBADHO CN(CCN1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370876 658240607 /nfs/dbraw/zinc/24/06/07/658240607.db2.gz YXBWVDNHISPOHM-ZDUSSCGKSA-N 1 3 269.389 -0.371 20 0 CBADHO C[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413863 658271848 /nfs/dbraw/zinc/27/18/48/658271848.db2.gz JBWFIVRWCSVRIR-MMWGEVLESA-N 1 3 255.318 -0.766 20 0 CBADHO NC[C@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923426436 658275151 /nfs/dbraw/zinc/27/51/51/658275151.db2.gz DRVRNLICTDMSKX-FRRDWIJNSA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@H]1CCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923426436 658275158 /nfs/dbraw/zinc/27/51/58/658275158.db2.gz DRVRNLICTDMSKX-FRRDWIJNSA-N 1 3 258.362 -0.034 20 0 CBADHO CON1CC[C@H](N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923445565 658284161 /nfs/dbraw/zinc/28/41/61/658284161.db2.gz XVCNVMBEEQRBEG-RYUDHWBXSA-N 1 3 283.372 -0.022 20 0 CBADHO [NH3+]CC[C@H]1CCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000923491343 658308482 /nfs/dbraw/zinc/30/84/82/658308482.db2.gz IHPGEFWGYFFJCL-ZDUSSCGKSA-N 1 3 296.415 -0.214 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923503464 658311048 /nfs/dbraw/zinc/31/10/48/658311048.db2.gz IUWCJDSCKHZBIO-TZMCWYRMSA-N 1 3 296.415 -0.406 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923503463 658311486 /nfs/dbraw/zinc/31/14/86/658311486.db2.gz IUWCJDSCKHZBIO-OCCSQVGLSA-N 1 3 296.415 -0.406 20 0 CBADHO [NH3+]C[C@@H](NS(=O)(=O)N1CCNCC1)C1CCCCC1 ZINC000923569547 658332662 /nfs/dbraw/zinc/33/26/62/658332662.db2.gz OUWOVWWIKZRASP-GFCCVEGCSA-N 1 3 290.433 -0.366 20 0 CBADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610710 658350528 /nfs/dbraw/zinc/35/05/28/658350528.db2.gz WAXRGBJHAAGKMS-NEPJUHHUSA-N 1 3 273.402 -0.153 20 0 CBADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610710 658350540 /nfs/dbraw/zinc/35/05/40/658350540.db2.gz WAXRGBJHAAGKMS-NEPJUHHUSA-N 1 3 273.402 -0.153 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923646346 658374141 /nfs/dbraw/zinc/37/41/41/658374141.db2.gz QNYPGFWBSUYZCZ-MNOVXSKESA-N 1 3 273.402 -0.391 20 0 CBADHO [NH3+][C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1c1ccccc1F ZINC000923649307 658376218 /nfs/dbraw/zinc/37/62/18/658376218.db2.gz OWSILYMEBOTKRN-WCQYABFASA-N 1 3 299.371 -0.146 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)N2CCNCC2)CC1 ZINC000923667548 658390312 /nfs/dbraw/zinc/39/03/12/658390312.db2.gz NKLXZEHDZHXPKK-XYPYZODXSA-N 1 3 276.406 -0.757 20 0 CBADHO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)C2CNC2)C1 ZINC000923668803 658391042 /nfs/dbraw/zinc/39/10/42/658391042.db2.gz LODRYXYWQBLFSL-LBPRGKRZSA-N 1 3 275.418 -0.015 20 0 CBADHO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)N1CCNCC1 ZINC000923672674 658392661 /nfs/dbraw/zinc/39/26/61/658392661.db2.gz XCAYMADDOYGCOE-QWRGUYRKSA-N 1 3 274.390 -0.989 20 0 CBADHO O=S(=O)(C1CNC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923733932 658426561 /nfs/dbraw/zinc/42/65/61/658426561.db2.gz GMBOENDBLLGJLJ-LLVKDONJSA-N 1 3 259.375 -0.494 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000924439584 658600345 /nfs/dbraw/zinc/60/03/45/658600345.db2.gz OQZQASVAXCKMQL-JTQLQIEISA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592507 658622252 /nfs/dbraw/zinc/62/22/52/658622252.db2.gz RSCHYGDMOZDKED-VXGBXAGGSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592507 658622259 /nfs/dbraw/zinc/62/22/59/658622259.db2.gz RSCHYGDMOZDKED-VXGBXAGGSA-N 1 3 280.372 -0.047 20 0 CBADHO C[C@@H]1C[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)CC[N@@H+]1C ZINC000924628510 658623492 /nfs/dbraw/zinc/62/34/92/658623492.db2.gz JPCFTXMBLWUVCS-MXWKQRLJSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@@H]1C[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)CC[N@H+]1C ZINC000924628510 658623502 /nfs/dbraw/zinc/62/35/02/658623502.db2.gz JPCFTXMBLWUVCS-MXWKQRLJSA-N 1 3 268.361 -0.049 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886764 658655143 /nfs/dbraw/zinc/65/51/43/658655143.db2.gz PCFNAIGFERYPAU-QWRGUYRKSA-N 1 3 266.345 -0.295 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886764 658655157 /nfs/dbraw/zinc/65/51/57/658655157.db2.gz PCFNAIGFERYPAU-QWRGUYRKSA-N 1 3 266.345 -0.295 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886763 658655185 /nfs/dbraw/zinc/65/51/85/658655185.db2.gz PCFNAIGFERYPAU-MNOVXSKESA-N 1 3 266.345 -0.295 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886763 658655189 /nfs/dbraw/zinc/65/51/89/658655189.db2.gz PCFNAIGFERYPAU-MNOVXSKESA-N 1 3 266.345 -0.295 20 0 CBADHO CN(CCO)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000924999639 658721186 /nfs/dbraw/zinc/72/11/86/658721186.db2.gz QIPLWAALSXKHOV-UHFFFAOYSA-N 1 3 257.378 -0.241 20 0 CBADHO CN(CCO)CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000924997525 658721326 /nfs/dbraw/zinc/72/13/26/658721326.db2.gz IHZMBTOITJDTDW-UHFFFAOYSA-N 1 3 280.372 -0.052 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959918945 658762191 /nfs/dbraw/zinc/76/21/91/658762191.db2.gz HCWMIRFNRHFFLA-IGQOVBAYSA-N 1 3 279.384 -0.633 20 0 CBADHO CCO[C@H](CN1C(=O)N[C@H](CN(C)C)C1=O)C[NH+](C)C ZINC000925235633 658812599 /nfs/dbraw/zinc/81/25/99/658812599.db2.gz MTAQHEVJRLXLJX-WDEREUQCSA-N 1 3 286.376 -0.565 20 0 CBADHO CC[NH+](CC)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925271897 658814734 /nfs/dbraw/zinc/81/47/34/658814734.db2.gz KRCVXAAIOUHVEQ-JTQLQIEISA-N 1 3 256.350 -0.190 20 0 CBADHO CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925300527 658819344 /nfs/dbraw/zinc/81/93/44/658819344.db2.gz WLVMMYHFEMBXSL-QWRGUYRKSA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925300527 658819350 /nfs/dbraw/zinc/81/93/50/658819350.db2.gz WLVMMYHFEMBXSL-QWRGUYRKSA-N 1 3 268.361 -0.047 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961773578 658833917 /nfs/dbraw/zinc/83/39/17/658833917.db2.gz PCJYTIFQTNZGNP-RMRHIDDWSA-N 1 3 281.400 -0.101 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961773578 658833920 /nfs/dbraw/zinc/83/39/20/658833920.db2.gz PCJYTIFQTNZGNP-RMRHIDDWSA-N 1 3 281.400 -0.101 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H](C)CN1CCO ZINC000925426266 658847366 /nfs/dbraw/zinc/84/73/66/658847366.db2.gz MHRRLFPNEGYCNQ-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H](C)CN1CCO ZINC000925426266 658847370 /nfs/dbraw/zinc/84/73/70/658847370.db2.gz MHRRLFPNEGYCNQ-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO OCCN1CCCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925681164 658865957 /nfs/dbraw/zinc/86/59/57/658865957.db2.gz SYRBXSNTMJYPLM-STQMWFEESA-N 1 3 257.378 -0.589 20 0 CBADHO CC1(C)[NH2+]CC[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000925715610 658867077 /nfs/dbraw/zinc/86/70/77/658867077.db2.gz FMABQCOSHPUMDO-SECBINFHSA-N 1 3 251.334 -0.129 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925719025 658868228 /nfs/dbraw/zinc/86/82/28/658868228.db2.gz PVHHQNBGAUVFRM-QWRGUYRKSA-N 1 3 283.372 -0.085 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926293476 658890374 /nfs/dbraw/zinc/89/03/74/658890374.db2.gz NLZMEZLNPOZTSG-NSHDSACASA-N 1 3 270.377 -0.796 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926361903 658896549 /nfs/dbraw/zinc/89/65/49/658896549.db2.gz LFJJGAJGNLJOQD-CYBMUJFWSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926384049 658897871 /nfs/dbraw/zinc/89/78/71/658897871.db2.gz YRSWSCMHEBCLIU-STQMWFEESA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000968903942 658944661 /nfs/dbraw/zinc/94/46/61/658944661.db2.gz BTHRSYOHZHITQW-WDEREUQCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722885 659013552 /nfs/dbraw/zinc/01/35/52/659013552.db2.gz UERYVYAHHWAQDQ-QNWHQSFQSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722885 659013558 /nfs/dbraw/zinc/01/35/58/659013558.db2.gz UERYVYAHHWAQDQ-QNWHQSFQSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000928441915 659021569 /nfs/dbraw/zinc/02/15/69/659021569.db2.gz PXQRHDWAZWZOEQ-UPJWGTAASA-N 1 3 266.389 -0.415 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000928441915 659021579 /nfs/dbraw/zinc/02/15/79/659021579.db2.gz PXQRHDWAZWZOEQ-UPJWGTAASA-N 1 3 266.389 -0.415 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC000970717213 659069992 /nfs/dbraw/zinc/06/99/92/659069992.db2.gz LHZNRTFRYKGYSU-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972333876 659114606 /nfs/dbraw/zinc/11/46/06/659114606.db2.gz YGMNYGBAJOSLDS-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972333876 659114612 /nfs/dbraw/zinc/11/46/12/659114612.db2.gz YGMNYGBAJOSLDS-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972335082 659116492 /nfs/dbraw/zinc/11/64/92/659116492.db2.gz MTOAIEXQHGJUBR-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972335082 659116495 /nfs/dbraw/zinc/11/64/95/659116495.db2.gz MTOAIEXQHGJUBR-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)CO)CC2)CC1 ZINC000930751531 659338084 /nfs/dbraw/zinc/33/80/84/659338084.db2.gz NNTYOKLKGRBEQN-HNNXBMFYSA-N 1 3 285.432 -0.168 20 0 CBADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)CO)CC2)CC1 ZINC000930751531 659338085 /nfs/dbraw/zinc/33/80/85/659338085.db2.gz NNTYOKLKGRBEQN-HNNXBMFYSA-N 1 3 285.432 -0.168 20 0 CBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829813 659483687 /nfs/dbraw/zinc/48/36/87/659483687.db2.gz SMJGSYGLXNNTIU-ZYHUDNBSSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC000987251227 659499847 /nfs/dbraw/zinc/49/98/47/659499847.db2.gz ARZILCSCNRBRPO-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683560 659607808 /nfs/dbraw/zinc/60/78/08/659607808.db2.gz RDWMNIDONIHNDG-MNOVXSKESA-N 1 3 280.372 -0.854 20 0 CBADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C)CCN(C)CC1 ZINC000933991982 659754989 /nfs/dbraw/zinc/75/49/89/659754989.db2.gz 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C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690669412 790671316 /nfs/dbraw/zinc/67/13/16/790671316.db2.gz UAJPZOBQTNDGPI-QJPTWQEYSA-N 1 3 275.418 -0.002 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690669417 790671574 /nfs/dbraw/zinc/67/15/74/790671574.db2.gz UAJPZOBQTNDGPI-SRVKXCTJSA-N 1 3 275.418 -0.002 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000693575438 790682211 /nfs/dbraw/zinc/68/22/11/790682211.db2.gz VXHVRVIMJTWQQZ-DDHJBXDOSA-N 1 3 253.346 -0.297 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@H]1COCCN1C ZINC000700215285 790708449 /nfs/dbraw/zinc/70/84/49/790708449.db2.gz HSSYZKQVPVAHQE-STQMWFEESA-N 1 3 259.394 -0.391 20 0 CBADHO C[C@H](CN)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653181 790718925 /nfs/dbraw/zinc/71/89/25/790718925.db2.gz DQJCIUSKFKIYMB-SNVBAGLBSA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@H](CN)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653181 790718932 /nfs/dbraw/zinc/71/89/32/790718932.db2.gz 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CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001030019493 799211466 /nfs/dbraw/zinc/21/14/66/799211466.db2.gz YZCCFHXONFNJEC-YNEHKIRRSA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688225 799534160 /nfs/dbraw/zinc/53/41/60/799534160.db2.gz ATDJGQLZPRXDJQ-KGLIPLIRSA-N 1 3 297.399 -0.720 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688225 799534164 /nfs/dbraw/zinc/53/41/64/799534164.db2.gz ATDJGQLZPRXDJQ-KGLIPLIRSA-N 1 3 297.399 -0.720 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001033091928 799716090 /nfs/dbraw/zinc/71/60/90/799716090.db2.gz OBYCQPLZPDZEIA-FRRDWIJNSA-N 1 3 269.389 -0.148 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001033091928 799716093 /nfs/dbraw/zinc/71/60/93/799716093.db2.gz OBYCQPLZPDZEIA-FRRDWIJNSA-N 1 3 269.389 -0.148 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034523967 799844793 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CN1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142117 801369097 /nfs/dbraw/zinc/36/90/97/801369097.db2.gz UCYQJTSHUDPRFW-ZFWWWQNUSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN(CCO)C1 ZINC001046317040 801752377 /nfs/dbraw/zinc/75/23/77/801752377.db2.gz DSMPDBBVEWFALZ-HIFRSBDPSA-N 1 3 281.400 -0.099 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047629003 801914354 /nfs/dbraw/zinc/91/43/54/801914354.db2.gz ONEKJEUWVXKQRX-WOPDTQHZSA-N 1 3 255.362 -0.539 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047629003 801914359 /nfs/dbraw/zinc/91/43/59/801914359.db2.gz ONEKJEUWVXKQRX-WOPDTQHZSA-N 1 3 255.362 -0.539 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047629002 801914895 /nfs/dbraw/zinc/91/48/95/801914895.db2.gz ONEKJEUWVXKQRX-SRVKXCTJSA-N 1 3 255.362 -0.539 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047629002 801914897 /nfs/dbraw/zinc/91/48/97/801914897.db2.gz ONEKJEUWVXKQRX-SRVKXCTJSA-N 1 3 255.362 -0.539 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001054296513 802330111 /nfs/dbraw/zinc/33/01/11/802330111.db2.gz YZCCFHXONFNJEC-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054736541 802367441 /nfs/dbraw/zinc/36/74/41/802367441.db2.gz KJMURTVEGBWHCL-JQWIXIFHSA-N 1 3 282.388 -0.608 20 0 CBADHO NCC(CN)[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC001119619113 812836211 /nfs/dbraw/zinc/83/62/11/812836211.db2.gz VTUVOHQQNPOTTD-UHFFFAOYSA-N 1 3 289.376 -0.135 20 0 CBADHO NCC(C[NH3+])NCCCS(=O)(=O)c1ccc(F)cc1 ZINC001119619113 812836220 /nfs/dbraw/zinc/83/62/20/812836220.db2.gz VTUVOHQQNPOTTD-UHFFFAOYSA-N 1 3 289.376 -0.135 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001122021755 813105740 /nfs/dbraw/zinc/10/57/40/813105740.db2.gz OAXGUKOAMDSOHT-GRYCIOLGSA-N 1 3 252.362 -0.900 20 0 CBADHO C[C@@H]1CCCN(C(=O)[C@@H]2CNCCN2C)[C@H]1CC[NH3+] ZINC001122126603 813121189 /nfs/dbraw/zinc/12/11/89/813121189.db2.gz JEUGHKZRKLRRPI-AGIUHOORSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)[C@H]1CC[NH3+] ZINC001122126606 813121341 /nfs/dbraw/zinc/12/13/41/813121341.db2.gz JEUGHKZRKLRRPI-FRRDWIJNSA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122131643 813121454 /nfs/dbraw/zinc/12/14/54/813121454.db2.gz BDHCFOIBLKVNRZ-GRYCIOLGSA-N 1 3 254.378 -0.654 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCCCN1C ZINC001122368087 813154550 /nfs/dbraw/zinc/15/45/50/813154550.db2.gz MGUHCRIFZITPMG-TUAOUCFPSA-N 1 3 257.378 -0.197 20 0 CBADHO COCC[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001122400344 813159698 /nfs/dbraw/zinc/15/96/98/813159698.db2.gz AOOZQBNHZUSJNZ-IUCAKERBSA-N 1 3 265.304 -0.194 20 0 CBADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294276 814237414 /nfs/dbraw/zinc/23/74/14/814237414.db2.gz AMLHNXCIZUKFDD-RYUDHWBXSA-N 1 3 286.420 -0.053 20 0 CBADHO CC(C)N1CC[C@@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133291688 814237642 /nfs/dbraw/zinc/23/76/42/814237642.db2.gz WKDLXIKKMHQLTI-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291676 814237656 /nfs/dbraw/zinc/23/76/56/814237656.db2.gz VUIMBSLLVWIWMG-LBPRGKRZSA-N 1 3 286.420 -0.195 20 0 CBADHO Cn1nccc1CNCCNC(=O)CC[NH+](C)C ZINC001133294278 814237851 /nfs/dbraw/zinc/23/78/51/814237851.db2.gz ANIRTIKDTMKTDT-UHFFFAOYSA-N 1 3 253.350 -0.422 20 0 CBADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133290792 814238069 /nfs/dbraw/zinc/23/80/69/814238069.db2.gz CIHSMVUMLZKISF-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C)C ZINC001148570464 814950994 /nfs/dbraw/zinc/95/09/94/814950994.db2.gz FBOPFFLPEGYKIJ-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C)C ZINC001148570464 814951000 /nfs/dbraw/zinc/95/10/00/814951000.db2.gz FBOPFFLPEGYKIJ-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001148642062 814953921 /nfs/dbraw/zinc/95/39/21/814953921.db2.gz DEQOKPRCTLXWFT-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001148656316 814956523 /nfs/dbraw/zinc/95/65/23/814956523.db2.gz ZAHCHTGEJFGGMP-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001149123659 814971619 /nfs/dbraw/zinc/97/16/19/814971619.db2.gz NBRMATMQJOISMS-UHFFFAOYSA-N 1 3 290.371 -0.057 20 0 CBADHO CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001322568078 803911536 /nfs/dbraw/zinc/91/15/36/803911536.db2.gz DIWUDCDLLUIWCE-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC(N)=O)N(C)C ZINC001322791667 803938598 /nfs/dbraw/zinc/93/85/98/803938598.db2.gz BWHSVKAQNSMFHV-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(CCOCCO)C1 ZINC001324649334 804184783 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CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048485 815052446 /nfs/dbraw/zinc/05/24/46/815052446.db2.gz BOVKNYZEHGLWDJ-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](n2ccnn2)C1 ZINC001069902550 805163655 /nfs/dbraw/zinc/16/36/55/805163655.db2.gz CLZXSJUYKJUPHF-AGIUHOORSA-N 1 3 292.387 -0.266 20 0 CBADHO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](n2ccnn2)C1 ZINC001069902550 805163660 /nfs/dbraw/zinc/16/36/60/805163660.db2.gz CLZXSJUYKJUPHF-AGIUHOORSA-N 1 3 292.387 -0.266 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049247 815053534 /nfs/dbraw/zinc/05/35/34/815053534.db2.gz LGIPNBYRAVTIAA-NSHDSACASA-N 1 3 265.361 -0.422 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049247 815053538 /nfs/dbraw/zinc/05/35/38/815053538.db2.gz LGIPNBYRAVTIAA-NSHDSACASA-N 1 3 265.361 -0.422 20 0 CBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049582 815054445 /nfs/dbraw/zinc/05/44/45/815054445.db2.gz SNTZYCSATUZZPW-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001070217574 805176670 /nfs/dbraw/zinc/17/66/70/805176670.db2.gz JBEGCYGUMSTRPX-UPJWGTAASA-N 1 3 294.403 -0.020 20 0 CBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049582 815054451 /nfs/dbraw/zinc/05/44/51/815054451.db2.gz SNTZYCSATUZZPW-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073056 815056959 /nfs/dbraw/zinc/05/69/59/815056959.db2.gz FLOXZFMYCDHRLO-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073781 815058335 /nfs/dbraw/zinc/05/83/35/815058335.db2.gz PUXXJWGSUZBNLZ-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073781 815058341 /nfs/dbraw/zinc/05/83/41/815058341.db2.gz PUXXJWGSUZBNLZ-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074373 815058761 /nfs/dbraw/zinc/05/87/61/815058761.db2.gz XDXCWWHIQGYGOL-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074373 815058767 /nfs/dbraw/zinc/05/87/67/815058767.db2.gz XDXCWWHIQGYGOL-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072979607 805353699 /nfs/dbraw/zinc/35/36/99/805353699.db2.gz FMFIJVACLZBZAG-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072979607 805353707 /nfs/dbraw/zinc/35/37/07/805353707.db2.gz FMFIJVACLZBZAG-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)CC[N@@H+]1C ZINC001073610804 805400066 /nfs/dbraw/zinc/40/00/66/805400066.db2.gz DOISDLHZHLZFEM-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)CC[N@H+]1C ZINC001073610804 805400072 /nfs/dbraw/zinc/40/00/72/805400072.db2.gz DOISDLHZHLZFEM-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001151361429 815072710 /nfs/dbraw/zinc/07/27/10/815072710.db2.gz GABVYDKIWMHKGQ-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO O=C(CCC[NH+]1CCCCC1)NCCN[C@H]1CCNC1=O ZINC001151361982 815072896 /nfs/dbraw/zinc/07/28/96/815072896.db2.gz RJAQCBUHJJXRHV-ZDUSSCGKSA-N 1 3 296.415 -0.153 20 0 CBADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890990 805422600 /nfs/dbraw/zinc/42/26/00/805422600.db2.gz KONUZPITDFCUSK-KBPBESRZSA-N 1 3 299.415 -0.208 20 0 CBADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890990 805422601 /nfs/dbraw/zinc/42/26/01/805422601.db2.gz KONUZPITDFCUSK-KBPBESRZSA-N 1 3 299.415 -0.208 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074648831 805463845 /nfs/dbraw/zinc/46/38/45/805463845.db2.gz JKYPTPQKMBUTFH-RWMBFGLXSA-N 1 3 296.415 -0.077 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074648831 805463851 /nfs/dbraw/zinc/46/38/51/805463851.db2.gz JKYPTPQKMBUTFH-RWMBFGLXSA-N 1 3 296.415 -0.077 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C)N(C)C ZINC001074711084 805467495 /nfs/dbraw/zinc/46/74/95/805467495.db2.gz PYGWHATYDVANFW-WUHRBBMRSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074878364 805476279 /nfs/dbraw/zinc/47/62/79/805476279.db2.gz PNGIECXZWCYWJL-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074878364 805476281 /nfs/dbraw/zinc/47/62/81/805476281.db2.gz PNGIECXZWCYWJL-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001076244554 805562157 /nfs/dbraw/zinc/56/21/57/805562157.db2.gz SRGGUDSKJJHORC-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076244554 805562166 /nfs/dbraw/zinc/56/21/66/805562166.db2.gz SRGGUDSKJJHORC-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152224416 815111163 /nfs/dbraw/zinc/11/11/63/815111163.db2.gz WTVUHZAVZYAEIU-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152236911 815112575 /nfs/dbraw/zinc/11/25/75/815112575.db2.gz IFDVLSAIHAGWIX-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NCCN[C@@H]1CCCNC1=O ZINC001152340208 815116814 /nfs/dbraw/zinc/11/68/14/815116814.db2.gz IWWLBYORENAWDH-CYBMUJFWSA-N 1 3 296.415 -0.153 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)C(C)C)C1=O ZINC001152432544 815121131 /nfs/dbraw/zinc/12/11/31/815121131.db2.gz KKMFZCYQWUZDNN-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152451914 815122900 /nfs/dbraw/zinc/12/29/00/815122900.db2.gz MACPZQNZRGHKPJ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152452095 815123038 /nfs/dbraw/zinc/12/30/38/815123038.db2.gz SDTIMZWZVIUPSP-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc2c(n1)CCNC2 ZINC001154748875 815237373 /nfs/dbraw/zinc/23/73/73/815237373.db2.gz SWTWDCUGSJUEKY-NSHDSACASA-N 1 3 276.388 -0.172 20 0 CBADHO N[C@H](C(=O)N1CCC[C@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612487 815645642 /nfs/dbraw/zinc/64/56/42/815645642.db2.gz ZRDOMRMCXSBLBM-YPMHNXCESA-N 1 3 269.389 -0.066 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791885 815312473 /nfs/dbraw/zinc/31/24/73/815312473.db2.gz ZRCCBRDYAWSXHG-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088425149 810329059 /nfs/dbraw/zinc/32/90/59/810329059.db2.gz OKUSMLMSCHASBC-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088425149 810329063 /nfs/dbraw/zinc/32/90/63/810329063.db2.gz OKUSMLMSCHASBC-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088425152 810330796 /nfs/dbraw/zinc/33/07/96/810330796.db2.gz OKUSMLMSCHASBC-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088425152 810330803 /nfs/dbraw/zinc/33/08/03/810330803.db2.gz OKUSMLMSCHASBC-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536533 810518025 /nfs/dbraw/zinc/51/80/25/810518025.db2.gz FVRPQQCQOFIKMR-ZIAGYGMSSA-N 1 3 299.415 -0.474 20 0 CBADHO N=C(NCCCC[NH3+])Nc1ncccc1S(N)(=O)=O ZINC001157094187 815403918 /nfs/dbraw/zinc/40/39/18/815403918.db2.gz MPVGOIXGLOXIOT-UHFFFAOYSA-N 1 3 286.361 -0.596 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157081902 815404086 /nfs/dbraw/zinc/40/40/86/815404086.db2.gz FFUJICFQJFXAMD-JTQLQIEISA-N 1 3 267.333 -0.652 20 0 CBADHO N=C(NCCCC[NH3+])Nc1cncc(-n2cncn2)n1 ZINC001157099596 815404787 /nfs/dbraw/zinc/40/47/87/815404787.db2.gz QYQLIBMVPSWMOD-UHFFFAOYSA-N 1 3 275.320 -0.268 20 0 CBADHO CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971095 810980098 /nfs/dbraw/zinc/98/00/98/810980098.db2.gz AMCFVGODDGYRRH-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO CCOCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988248 810986690 /nfs/dbraw/zinc/98/66/90/810986690.db2.gz FTHDRPVOIAXHII-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100131255 811024272 /nfs/dbraw/zinc/02/42/72/811024272.db2.gz AIFFOUGBJLFVPU-CHWSQXEVSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100131255 811024275 /nfs/dbraw/zinc/02/42/75/811024275.db2.gz AIFFOUGBJLFVPU-CHWSQXEVSA-N 1 3 287.404 -0.740 20 0 CBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCO)C1)C1CC1 ZINC001100407712 811056412 /nfs/dbraw/zinc/05/64/12/811056412.db2.gz GTPCRKMESRYPLA-KGPNIALWSA-N 1 3 269.389 -0.197 20 0 CBADHO C[C@@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001100405736 811056518 /nfs/dbraw/zinc/05/65/18/811056518.db2.gz KVORFJCNBZOZLK-VOMCLLRMSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100901616 811085254 /nfs/dbraw/zinc/08/52/54/811085254.db2.gz FFZPKADGAQJQEQ-WXRRBKDZSA-N 1 3 296.415 -0.299 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100921188 811085739 /nfs/dbraw/zinc/08/57/39/811085739.db2.gz LZYUQDGGKQJWCU-UHFFFAOYSA-N 1 3 266.345 -0.263 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039228 811091325 /nfs/dbraw/zinc/09/13/25/811091325.db2.gz BSLCFOAPIINQFP-UHFFFAOYSA-N 1 3 298.431 -0.053 20 0 CBADHO Cn1ccnc1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157422791 815431931 /nfs/dbraw/zinc/43/19/31/815431931.db2.gz OIMYIDDNBDLAKW-BXUZGUMPSA-N 1 3 277.372 -0.722 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001157425047 815432594 /nfs/dbraw/zinc/43/25/94/815432594.db2.gz YVYMIWMUBMVILW-DLOVCJGASA-N 1 3 255.362 -0.003 20 0 CBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)C2(N)CC2)CC1 ZINC001157448690 815435681 /nfs/dbraw/zinc/43/56/81/815435681.db2.gz GFAZFHDJEDNNRO-UHFFFAOYSA-N 1 3 269.345 -0.249 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106779404 811317239 /nfs/dbraw/zinc/31/72/39/811317239.db2.gz NGIPCQFXIPXSHH-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO COC(=O)N1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157507747 815439958 /nfs/dbraw/zinc/43/99/58/815439958.db2.gz MBIUTIKTKXEXNR-JTQLQIEISA-N 1 3 272.349 -0.647 20 0 CBADHO N[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1F ZINC001157535922 815441993 /nfs/dbraw/zinc/44/19/93/815441993.db2.gz FGLPLECOGXUJBU-NEPJUHHUSA-N 1 3 263.316 -0.010 20 0 CBADHO C[NH2+][C@@H]1CCCN(CC(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157537919 815443464 /nfs/dbraw/zinc/44/34/64/815443464.db2.gz FCQNVMJPLHRUMH-MXWKQRLJSA-N 1 3 258.341 -0.822 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537045 815444082 /nfs/dbraw/zinc/44/40/82/815444082.db2.gz TXXUNPPBVNHDQO-NOHGZBONSA-N 1 3 271.336 -0.347 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC(C)([NH3+])C1 ZINC001157634203 815450159 /nfs/dbraw/zinc/45/01/59/815450159.db2.gz XRPCGMPPTNFKON-VIFPVBQESA-N 1 3 271.361 -0.134 20 0 CBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673687 811499501 /nfs/dbraw/zinc/49/95/01/811499501.db2.gz ONNRMSFXUCEJON-RFGFWPKPSA-N 1 3 299.415 -0.333 20 0 CBADHO COCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979176 811507368 /nfs/dbraw/zinc/50/73/68/811507368.db2.gz VZBAMEXNUVIBSJ-RDBSUJKOSA-N 1 3 299.415 -0.068 20 0 CBADHO COC1(C)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001157689246 815454487 /nfs/dbraw/zinc/45/44/87/815454487.db2.gz QVQDEZORMASEBZ-LLVKDONJSA-N 1 3 267.373 -0.177 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@H]2CNCCO2)C1 ZINC001157716675 815455362 /nfs/dbraw/zinc/45/53/62/815455362.db2.gz QNIAYXNNILVNPL-UTUOFQBUSA-N 1 3 255.362 -0.179 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729641 815456665 /nfs/dbraw/zinc/45/66/65/815456665.db2.gz CTSCARQBWVLJTP-CMPLNLGQSA-N 1 3 271.336 -0.157 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720255 815456841 /nfs/dbraw/zinc/45/68/41/815456841.db2.gz DPDAIGOVZPPLDU-QWHCGFSZSA-N 1 3 298.431 -0.495 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720255 815456843 /nfs/dbraw/zinc/45/68/43/815456843.db2.gz DPDAIGOVZPPLDU-QWHCGFSZSA-N 1 3 298.431 -0.495 20 0 CBADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CC(F)F ZINC001157720465 815457099 /nfs/dbraw/zinc/45/70/99/815457099.db2.gz JSRXNFZRDCIJKH-SFYZADRCSA-N 1 3 251.277 -0.584 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001157720218 815457291 /nfs/dbraw/zinc/45/72/91/815457291.db2.gz CUHGDTPHYDDQOK-DCAQKATOSA-N 1 3 259.325 -0.619 20 0 CBADHO N[C@@H](C(=O)N1CC(F)(F)CC[C@H]1CO)C1CC[NH2+]CC1 ZINC001157730029 815458582 /nfs/dbraw/zinc/45/85/82/815458582.db2.gz GXSDIOAOENRDAG-WDEREUQCSA-N 1 3 291.342 -0.068 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157730815 815459844 /nfs/dbraw/zinc/45/98/44/815459844.db2.gz PLCHXSABUUALTN-WCQYABFASA-N 1 3 283.351 -0.041 20 0 CBADHO O=C(N1CCC[C@](O)(CF)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157781456 815465939 /nfs/dbraw/zinc/46/59/39/815465939.db2.gz PRHMIVICVFQGQP-BPLDGKMQSA-N 1 3 299.390 -0.101 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@@H]1[NH3+] ZINC001157803815 815468505 /nfs/dbraw/zinc/46/85/05/815468505.db2.gz KXYKMECWIAVZRD-NOLZXVSMSA-N 1 3 261.391 -0.722 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157804669 815468828 /nfs/dbraw/zinc/46/88/28/815468828.db2.gz UXTHLQAHWHMLNE-RHYQMDGZSA-N 1 3 282.388 -0.480 20 0 CBADHO [NH3+]C[C@@]1(F)CCN(c2cc3c(nn2)CCNC3)C1 ZINC001157816792 815469179 /nfs/dbraw/zinc/46/91/79/815469179.db2.gz GWEVLWLCAQHCMN-LBPRGKRZSA-N 1 3 251.309 -0.001 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857004 815474430 /nfs/dbraw/zinc/47/44/30/815474430.db2.gz YUHSTSLVGBXQCO-IJLUTSLNSA-N 1 3 285.363 -0.208 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857004 815474434 /nfs/dbraw/zinc/47/44/34/815474434.db2.gz YUHSTSLVGBXQCO-IJLUTSLNSA-N 1 3 285.363 -0.208 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001157841567 815470577 /nfs/dbraw/zinc/47/05/77/815470577.db2.gz HHUHMNBXWOVGIE-UPJWGTAASA-N 1 3 296.415 -0.088 20 0 CBADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001157841568 815471212 /nfs/dbraw/zinc/47/12/12/815471212.db2.gz HHUHMNBXWOVGIE-XQQFMLRXSA-N 1 3 296.415 -0.088 20 0 CBADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404997 811747380 /nfs/dbraw/zinc/74/73/80/811747380.db2.gz LILBIHKQHAEMCK-DGAVXFQQSA-N 1 3 281.400 -0.245 20 0 CBADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404997 811747396 /nfs/dbraw/zinc/74/73/96/811747396.db2.gz LILBIHKQHAEMCK-DGAVXFQQSA-N 1 3 281.400 -0.245 20 0 CBADHO N[C@H](C(=O)N1CCCC(=O)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001157854442 815473336 /nfs/dbraw/zinc/47/33/36/815473336.db2.gz DKRWFHLGSOQBKM-JQWIXIFHSA-N 1 3 271.336 -0.157 20 0 CBADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157855303 815473460 /nfs/dbraw/zinc/47/34/60/815473460.db2.gz MDDHCFJHPWBFHT-RGCMKSIDSA-N 1 3 281.400 -0.195 20 0 CBADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157854469 815473506 /nfs/dbraw/zinc/47/35/06/815473506.db2.gz FCRRPJPBWFXVAD-IJLUTSLNSA-N 1 3 267.373 -0.585 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857003 815474262 /nfs/dbraw/zinc/47/42/62/815474262.db2.gz YUHSTSLVGBXQCO-GRYCIOLGSA-N 1 3 285.363 -0.208 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157857003 815474265 /nfs/dbraw/zinc/47/42/65/815474265.db2.gz YUHSTSLVGBXQCO-GRYCIOLGSA-N 1 3 285.363 -0.208 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900447 815477662 /nfs/dbraw/zinc/47/76/62/815477662.db2.gz JLOCGLSRBNDYMS-VHSXEESVSA-N 1 3 289.326 -0.729 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900445 815477815 /nfs/dbraw/zinc/47/78/15/815477815.db2.gz JLOCGLSRBNDYMS-NXEZZACHSA-N 1 3 289.326 -0.729 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900448 815478322 /nfs/dbraw/zinc/47/83/22/815478322.db2.gz JLOCGLSRBNDYMS-ZJUUUORDSA-N 1 3 289.326 -0.729 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@@H]1F ZINC001157900894 815478879 /nfs/dbraw/zinc/47/88/79/815478879.db2.gz UTTLBHWNDFYFTG-JFGNBEQYSA-N 1 3 271.336 -0.883 20 0 CBADHO COC(=O)c1ccnc(NC(=[NH2+])N2CCN(C)CC2)n1 ZINC001157914323 815482154 /nfs/dbraw/zinc/48/21/54/815482154.db2.gz BMGVOYJJTFXKKQ-UHFFFAOYSA-N 1 3 278.316 -0.143 20 0 CBADHO C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157916056 815482165 /nfs/dbraw/zinc/48/21/65/815482165.db2.gz XVOGXMAFDNHKSI-GARJFASQSA-N 1 3 253.346 -0.833 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@@](C)(CO)C1 ZINC001157925594 815482897 /nfs/dbraw/zinc/48/28/97/815482897.db2.gz MQBHYDPNLNUZHV-BXUZGUMPSA-N 1 3 281.400 -0.195 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935281 815487544 /nfs/dbraw/zinc/48/75/44/815487544.db2.gz SXVAHPYJRWEITE-CMPLNLGQSA-N 1 3 261.341 -0.234 20 0 CBADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1O ZINC001157946480 815491115 /nfs/dbraw/zinc/49/11/15/815491115.db2.gz NNLYVDNRVBIWAI-DMDPSCGWSA-N 1 3 273.377 -0.966 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@@H]2C[NH2+]CC23CNC3)no1 ZINC001157982983 815494272 /nfs/dbraw/zinc/49/42/72/815494272.db2.gz JTAFBJPKXWCWAE-JTQLQIEISA-N 1 3 279.344 -0.812 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@@H](N)CSCC[NH3+])no1 ZINC001157982286 815494929 /nfs/dbraw/zinc/49/49/29/815494929.db2.gz AXOMXXBKQZOGSX-VIFPVBQESA-N 1 3 287.389 -0.602 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@@H]1O ZINC001157997164 815495693 /nfs/dbraw/zinc/49/56/93/815495693.db2.gz JCYDHSYDUCXJNP-SRVKXCTJSA-N 1 3 257.378 -0.115 20 0 CBADHO C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1O ZINC001157997956 815496805 /nfs/dbraw/zinc/49/68/05/815496805.db2.gz SEBFTXGEOMLOFY-SRRSOLGSSA-N 1 3 253.346 -0.975 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001158014404 815498640 /nfs/dbraw/zinc/49/86/40/815498640.db2.gz LEDUTCVKVJOBJI-GARJFASQSA-N 1 3 287.335 -0.575 20 0 CBADHO N[C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CCCCC1 ZINC001158093531 815504385 /nfs/dbraw/zinc/50/43/85/815504385.db2.gz WUFAONGGIPRDEI-DZGCQCFKSA-N 1 3 294.399 -0.416 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102118 815504392 /nfs/dbraw/zinc/50/43/92/815504392.db2.gz OKJBOXGPFXNORY-FZMZJTMJSA-N 1 3 280.372 -0.806 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111669 815504983 /nfs/dbraw/zinc/50/49/83/815504983.db2.gz PZGXYXQOGGUODK-STQMWFEESA-N 1 3 293.411 -0.194 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111668 815505166 /nfs/dbraw/zinc/50/51/66/815505166.db2.gz PZGXYXQOGGUODK-QWHCGFSZSA-N 1 3 293.411 -0.194 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001114849042 812164215 /nfs/dbraw/zinc/16/42/15/812164215.db2.gz JUVFAJCFWBFBLH-DGTMBMJNSA-N 1 3 299.415 -0.620 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001114849042 812164223 /nfs/dbraw/zinc/16/42/23/812164223.db2.gz JUVFAJCFWBFBLH-DGTMBMJNSA-N 1 3 299.415 -0.620 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001114854687 812164675 /nfs/dbraw/zinc/16/46/75/812164675.db2.gz QUYKJGBIMNXFTC-WHOHXGKFSA-N 1 3 255.362 -0.635 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001114854687 812164678 /nfs/dbraw/zinc/16/46/78/812164678.db2.gz QUYKJGBIMNXFTC-WHOHXGKFSA-N 1 3 255.362 -0.635 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001115161860 812183104 /nfs/dbraw/zinc/18/31/04/812183104.db2.gz OGQIUSRAWYDVJT-CIQGVGRVSA-N 1 3 269.389 -0.245 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001115161860 812183110 /nfs/dbraw/zinc/18/31/10/812183110.db2.gz OGQIUSRAWYDVJT-CIQGVGRVSA-N 1 3 269.389 -0.245 20 0 CBADHO [NH3+][C@@H](CO)Cc1cncn1-c1ncc2c(n1)CCNC2 ZINC001158203493 815512813 /nfs/dbraw/zinc/51/28/13/815512813.db2.gz ATWOIJGLXNDZBH-SNVBAGLBSA-N 1 3 274.328 -0.830 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CCOCC1 ZINC001158208033 815513682 /nfs/dbraw/zinc/51/36/82/815513682.db2.gz JHLLLKKYUHBNQE-TUAOUCFPSA-N 1 3 253.346 -0.297 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CCC(O)CC1 ZINC001158208596 815513973 /nfs/dbraw/zinc/51/39/73/815513973.db2.gz UKTXNZGTAIRAIB-WJFHSMSDSA-N 1 3 267.373 -0.172 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208171 815514351 /nfs/dbraw/zinc/51/43/51/815514351.db2.gz OICWINJHKDRFOE-UKFADQEDSA-N 1 3 259.375 -0.955 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319907 815519343 /nfs/dbraw/zinc/51/93/43/815519343.db2.gz PKJGNWUUOQGKFT-AEJSXWLSSA-N 1 3 287.310 -0.712 20 0 CBADHO N[C@H](C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158319604 815519853 /nfs/dbraw/zinc/51/98/53/815519853.db2.gz JQFAFAKUCSNQRH-VWYCJHECSA-N 1 3 289.326 -0.194 20 0 CBADHO N[C@@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]C1 ZINC001158337094 815520821 /nfs/dbraw/zinc/52/08/21/815520821.db2.gz QRZUZQGGGNXPGC-LZWOXQAQSA-N 1 3 286.379 -0.225 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001158339250 815522174 /nfs/dbraw/zinc/52/21/74/815522174.db2.gz MSIWXSKMSJFPDD-LLVKDONJSA-N 1 3 289.383 -0.546 20 0 CBADHO NC1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC1 ZINC001158535100 815537032 /nfs/dbraw/zinc/53/70/32/815537032.db2.gz VMCYVWTZJQTHQD-GIPNMCIBSA-N 1 3 251.330 -0.543 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1CCC[NH2+]C1 ZINC001118557512 812576713 /nfs/dbraw/zinc/57/67/13/812576713.db2.gz GGOVERCPTROLSP-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001158628874 815540833 /nfs/dbraw/zinc/54/08/33/815540833.db2.gz ANTYSBKHICUDDA-SCRDCRAPSA-N 1 3 297.447 -0.712 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC001119294877 812743883 /nfs/dbraw/zinc/74/38/83/812743883.db2.gz MFPUVDPFQYYTCV-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119294876 812744751 /nfs/dbraw/zinc/74/47/51/812744751.db2.gz MFPUVDPFQYYTCV-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001119297929 812747243 /nfs/dbraw/zinc/74/72/43/812747243.db2.gz UPSJQJGPQGCKOJ-RKDXNWHRSA-N 1 3 255.297 -0.610 20 0 CBADHO CCN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC001119381761 812772385 /nfs/dbraw/zinc/77/23/85/812772385.db2.gz YKEKJLZBELPMKE-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427644 812782992 /nfs/dbraw/zinc/78/29/92/812782992.db2.gz SIXDERXRTGXFGT-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC001120482325 812972258 /nfs/dbraw/zinc/97/22/58/812972258.db2.gz XVRRAGMUMKIVKT-CQSZACIVSA-N 1 3 285.432 -0.121 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@H](O)COC(C)C)CC1 ZINC001120482004 812973097 /nfs/dbraw/zinc/97/30/97/812973097.db2.gz UQPGGKNDZAAMHK-AWEZNQCLSA-N 1 3 273.421 -0.001 20 0 CBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCOC2(CNC2)C1 ZINC001120578275 812995614 /nfs/dbraw/zinc/99/56/14/812995614.db2.gz AZUKIURYKBANJA-OUAUKWLOSA-N 1 3 266.345 -0.737 20 0 CBADHO [NH3+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120625498 813002191 /nfs/dbraw/zinc/00/21/91/813002191.db2.gz JMOSPLLVZPSPAK-NEPJUHHUSA-N 1 3 270.377 -0.424 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001122075298 813112781 /nfs/dbraw/zinc/11/27/81/813112781.db2.gz KHMJRSAMRCMJKP-GMXVVIOVSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC001122097264 813116842 /nfs/dbraw/zinc/11/68/42/813116842.db2.gz YKBWQRSYMOILNC-LLVKDONJSA-N 1 3 265.313 -0.183 20 0 CBADHO C[C@H](Nc1ncc2c(n1)CCNC2)[C@@H]1C[NH2+]CCO1 ZINC001159500823 815577787 /nfs/dbraw/zinc/57/77/87/815577787.db2.gz XTRSSTWWMDFKCY-CABZTGNLSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@H](Nc1ncc2c(n1)CC[NH2+]C2)[C@@H]1CNCCO1 ZINC001159500823 815577791 /nfs/dbraw/zinc/57/77/91/815577791.db2.gz XTRSSTWWMDFKCY-CABZTGNLSA-N 1 3 263.345 -0.089 20 0 CBADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122156450 813125729 /nfs/dbraw/zinc/12/57/29/813125729.db2.gz NNZGUOMIANFNOX-TUAOUCFPSA-N 1 3 255.362 -0.267 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122182194 813129341 /nfs/dbraw/zinc/12/93/41/813129341.db2.gz UWXAAGDMLMHNTH-ZDEQEGDKSA-N 1 3 296.415 -0.219 20 0 CBADHO O=C([C@H]1CNCCC1(F)F)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189905 813129905 /nfs/dbraw/zinc/12/99/05/813129905.db2.gz LEAKHXIPAFYYMI-LDYMZIIASA-N 1 3 288.298 -0.773 20 0 CBADHO O=C([C@@H]1CNCCC1(F)F)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189904 813130428 /nfs/dbraw/zinc/13/04/28/813130428.db2.gz LEAKHXIPAFYYMI-KWQFWETISA-N 1 3 288.298 -0.773 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001122412736 813162001 /nfs/dbraw/zinc/16/20/01/813162001.db2.gz XZJZYZPOVVKIMS-OPQQBVKSSA-N 1 3 269.345 -0.393 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001122412734 813162240 /nfs/dbraw/zinc/16/22/40/813162240.db2.gz XZJZYZPOVVKIMS-CWSCBRNRSA-N 1 3 269.345 -0.393 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001122535924 813174545 /nfs/dbraw/zinc/17/45/45/813174545.db2.gz LSZNZNBAMPLOTM-WOPDTQHZSA-N 1 3 255.362 -0.219 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001122585335 813177978 /nfs/dbraw/zinc/17/79/78/813177978.db2.gz CVHLFPWWHIGCOD-RKDXNWHRSA-N 1 3 255.318 -0.865 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1ncc2c(n1)CCNC2 ZINC001159861433 815601684 /nfs/dbraw/zinc/60/16/84/815601684.db2.gz TYTGIXANFGCDND-UHFFFAOYSA-N 1 3 279.344 -0.550 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001127065848 813709392 /nfs/dbraw/zinc/70/93/92/813709392.db2.gz FYETYRJCVMRYEL-STQMWFEESA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001127065848 813709395 /nfs/dbraw/zinc/70/93/95/813709395.db2.gz FYETYRJCVMRYEL-STQMWFEESA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001127065619 813710482 /nfs/dbraw/zinc/71/04/82/813710482.db2.gz CDIXDOQDVQLWPH-JTQLQIEISA-N 1 3 256.350 -0.950 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001127065619 813710484 /nfs/dbraw/zinc/71/04/84/813710484.db2.gz CDIXDOQDVQLWPH-JTQLQIEISA-N 1 3 256.350 -0.950 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082503 813711796 /nfs/dbraw/zinc/71/17/96/813711796.db2.gz SHHBNHDEFGCWBW-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082503 813711800 /nfs/dbraw/zinc/71/18/00/813711800.db2.gz SHHBNHDEFGCWBW-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001127082561 813711976 /nfs/dbraw/zinc/71/19/76/813711976.db2.gz UYEGNLNFDAJZRH-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001127082561 813711982 /nfs/dbraw/zinc/71/19/82/813711982.db2.gz UYEGNLNFDAJZRH-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256541 813721262 /nfs/dbraw/zinc/72/12/62/813721262.db2.gz OVMWIDXPFLZNJD-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256541 813721269 /nfs/dbraw/zinc/72/12/69/813721269.db2.gz OVMWIDXPFLZNJD-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256005 813722156 /nfs/dbraw/zinc/72/21/56/813722156.db2.gz LVIOJKBCDOUZHS-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256005 813722162 /nfs/dbraw/zinc/72/21/62/813722162.db2.gz LVIOJKBCDOUZHS-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475592 813733197 /nfs/dbraw/zinc/73/31/97/813733197.db2.gz WIGMHMXPJJWSSS-AWEZNQCLSA-N 1 3 291.399 -0.032 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481131 813733333 /nfs/dbraw/zinc/73/33/33/813733333.db2.gz PVKRVFJWZXNWAF-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481091 813733494 /nfs/dbraw/zinc/73/34/94/813733494.db2.gz PFGBZORJSQFWQP-OLZOCXBDSA-N 1 3 294.399 -0.687 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480499 813733710 /nfs/dbraw/zinc/73/37/10/813733710.db2.gz KLNDBIHRZPKNAE-NWDGAFQWSA-N 1 3 282.388 -0.702 20 0 CBADHO C[NH+](C)CCn1ccc(C(=O)NCCNCCF)n1 ZINC001127558404 813735320 /nfs/dbraw/zinc/73/53/20/813735320.db2.gz LLBWIQWIWVLMKI-UHFFFAOYSA-N 1 3 271.340 -0.266 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127643630 813739299 /nfs/dbraw/zinc/73/92/99/813739299.db2.gz DTPTWLNNXBSGPV-GMTAPVOTSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127643630 813739302 /nfs/dbraw/zinc/73/93/02/813739302.db2.gz DTPTWLNNXBSGPV-GMTAPVOTSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001127701463 813740804 /nfs/dbraw/zinc/74/08/04/813740804.db2.gz POVNANRILYTHRI-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001127701463 813740811 /nfs/dbraw/zinc/74/08/11/813740811.db2.gz POVNANRILYTHRI-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001127701464 813741757 /nfs/dbraw/zinc/74/17/57/813741757.db2.gz POVNANRILYTHRI-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001127701464 813741761 /nfs/dbraw/zinc/74/17/61/813741761.db2.gz POVNANRILYTHRI-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690749 813742238 /nfs/dbraw/zinc/74/22/38/813742238.db2.gz SBMAJPYYLIGMJR-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690749 813742243 /nfs/dbraw/zinc/74/22/43/813742243.db2.gz SBMAJPYYLIGMJR-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001128778734 813798469 /nfs/dbraw/zinc/79/84/69/813798469.db2.gz LEJYNUOOCHKRDO-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001128778734 813798475 /nfs/dbraw/zinc/79/84/75/813798475.db2.gz LEJYNUOOCHKRDO-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC ZINC001128783884 813799526 /nfs/dbraw/zinc/79/95/26/813799526.db2.gz JLDXVUUHCCJBFP-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC ZINC001128783884 813799544 /nfs/dbraw/zinc/79/95/44/813799544.db2.gz JLDXVUUHCCJBFP-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341443 813836559 /nfs/dbraw/zinc/83/65/59/813836559.db2.gz UYKVESMVKCDVNG-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341443 813836570 /nfs/dbraw/zinc/83/65/70/813836570.db2.gz UYKVESMVKCDVNG-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC1CC1)C1CC1 ZINC001129435326 813841718 /nfs/dbraw/zinc/84/17/18/813841718.db2.gz FRTLTJSRSIVKJP-ZDUSSCGKSA-N 1 3 282.388 -0.689 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129436534 813842007 /nfs/dbraw/zinc/84/20/07/813842007.db2.gz QSIGKLFEJIMJML-NEPJUHHUSA-N 1 3 273.377 -0.960 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437023 813843558 /nfs/dbraw/zinc/84/35/58/813843558.db2.gz UTLPTUQBXYVTFQ-CYBMUJFWSA-N 1 3 284.404 -0.443 20 0 CBADHO CN(C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129436723 813843751 /nfs/dbraw/zinc/84/37/51/813843751.db2.gz RUVADRSHBVHSJQ-AWEZNQCLSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCOCCO)C1CC1 ZINC001129435617 813843791 /nfs/dbraw/zinc/84/37/91/813843791.db2.gz HRCSLEAJRUYNMT-GFCCVEGCSA-N 1 3 273.377 -0.959 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437217 813845139 /nfs/dbraw/zinc/84/51/39/813845139.db2.gz XWMZQNUWINKYSO-CQSZACIVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001129444678 813845905 /nfs/dbraw/zinc/84/59/05/813845905.db2.gz WZIUOSDNIDLEOW-JQWIXIFHSA-N 1 3 284.404 -0.491 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947057 813881631 /nfs/dbraw/zinc/88/16/31/813881631.db2.gz HUMBJTFWGUXGMS-ZDUSSCGKSA-N 1 3 286.420 -0.197 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001129949245 813882051 /nfs/dbraw/zinc/88/20/51/813882051.db2.gz AJKHNWMSQJYSGL-MNOVXSKESA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001129947010 813883033 /nfs/dbraw/zinc/88/30/33/813883033.db2.gz FILVLQCFAYHOTA-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947092 813883320 /nfs/dbraw/zinc/88/33/20/813883320.db2.gz JPIOYKHOOSRQKW-LBPRGKRZSA-N 1 3 272.393 -0.586 20 0 CBADHO CC[C@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130173198 813913031 /nfs/dbraw/zinc/91/30/31/813913031.db2.gz BBOWFNRNWZUGTR-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CCNC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169452 813914294 /nfs/dbraw/zinc/91/42/94/813914294.db2.gz DFXKTWMIKUXHPD-UHFFFAOYSA-N 1 3 296.415 -0.296 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C ZINC001130201015 813916673 /nfs/dbraw/zinc/91/66/73/813916673.db2.gz SLZAXURYEGMLPW-CMPLNLGQSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001130198136 813916998 /nfs/dbraw/zinc/91/69/98/813916998.db2.gz WMADJUSAAKSSMS-CYBMUJFWSA-N 1 3 294.399 -0.069 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001130203777 813918130 /nfs/dbraw/zinc/91/81/30/813918130.db2.gz XGASLICBBWZNQT-VHSXEESVSA-N 1 3 258.366 -0.833 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001130203776 813918213 /nfs/dbraw/zinc/91/82/13/813918213.db2.gz XGASLICBBWZNQT-NXEZZACHSA-N 1 3 258.366 -0.833 20 0 CBADHO CNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794392 814069293 /nfs/dbraw/zinc/06/92/93/814069293.db2.gz XNJHDQNNRQYYGY-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790747 814069346 /nfs/dbraw/zinc/06/93/46/814069346.db2.gz USZGJHBWDDZFGA-GFCCVEGCSA-N 1 3 268.361 -0.948 20 0 CBADHO C[C@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790104 814069569 /nfs/dbraw/zinc/06/95/69/814069569.db2.gz GEMZGJQLSKAEMQ-JQWIXIFHSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789960 814070066 /nfs/dbraw/zinc/07/00/66/814070066.db2.gz BVMOHTXBFUIPRD-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786620 814070249 /nfs/dbraw/zinc/07/02/49/814070249.db2.gz YTZJVKNLTYBSDS-ZDUSSCGKSA-N 1 3 282.388 -0.687 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC)C1 ZINC001132738395 814182289 /nfs/dbraw/zinc/18/22/89/814182289.db2.gz BJAAKNFEKYMQDX-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC)C1 ZINC001132738395 814182294 /nfs/dbraw/zinc/18/22/94/814182294.db2.gz BJAAKNFEKYMQDX-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001132738046 814183340 /nfs/dbraw/zinc/18/33/40/814183340.db2.gz UMLGPNXDTOLGTF-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001132738046 814183344 /nfs/dbraw/zinc/18/33/44/814183344.db2.gz UMLGPNXDTOLGTF-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892828 814199893 /nfs/dbraw/zinc/19/98/93/814199893.db2.gz BRKKAJZWKQNVPU-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892828 814199896 /nfs/dbraw/zinc/19/98/96/814199896.db2.gz BRKKAJZWKQNVPU-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893065 814199912 /nfs/dbraw/zinc/19/99/12/814199912.db2.gz JBHXDMFTQTZJJW-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893065 814199914 /nfs/dbraw/zinc/19/99/14/814199914.db2.gz JBHXDMFTQTZJJW-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO Cn1nccc1CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993412 814206271 /nfs/dbraw/zinc/20/62/71/814206271.db2.gz SOYVZLIWNHCHNM-UHFFFAOYSA-N 1 3 279.388 -0.032 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051859 814211668 /nfs/dbraw/zinc/21/16/68/814211668.db2.gz RWFQSFDXLMIPQZ-UHFFFAOYSA-N 1 3 286.420 -0.194 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133051257 814212318 /nfs/dbraw/zinc/21/23/18/814212318.db2.gz BSEFXKPARVZLGR-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001133051996 814212470 /nfs/dbraw/zinc/21/24/70/814212470.db2.gz XJANNNIHFRQFRC-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133274336 814232918 /nfs/dbraw/zinc/23/29/18/814232918.db2.gz GMAVANNXTZIXJZ-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO Cn1cc(CNCCNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001133285984 814235318 /nfs/dbraw/zinc/23/53/18/814235318.db2.gz QXJGTAMHKOOBBP-UHFFFAOYSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1nccc1CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285655 814236044 /nfs/dbraw/zinc/23/60/44/814236044.db2.gz BSFYPMGCDNEWSP-UHFFFAOYSA-N 1 3 279.388 -0.032 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133418593 814251497 /nfs/dbraw/zinc/25/14/97/814251497.db2.gz ACSRQUDVUDLSJL-WDEREUQCSA-N 1 3 272.393 -0.587 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419544 814252396 /nfs/dbraw/zinc/25/23/96/814252396.db2.gz RNLVEUMYVLXBHU-NWDGAFQWSA-N 1 3 275.393 -0.714 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133434159 814253236 /nfs/dbraw/zinc/25/32/36/814253236.db2.gz JESBILYVUAZCSJ-NWDGAFQWSA-N 1 3 286.420 -0.245 20 0 CBADHO CC[C@H](C(=O)NCCN[C@H]1CCNC1=O)[NH+](CC)CC ZINC001133684132 814287369 /nfs/dbraw/zinc/28/73/69/814287369.db2.gz DGUONANBXSPWGY-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCCNCC(N)=O)[NH+](CC)CC ZINC001133684925 814288354 /nfs/dbraw/zinc/28/83/54/814288354.db2.gz NSAHXBQRCNUDKP-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001133820036 814300303 /nfs/dbraw/zinc/30/03/03/814300303.db2.gz WBLRYJDXTRTTJR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001133819653 814300783 /nfs/dbraw/zinc/30/07/83/814300783.db2.gz KEYCYWCOODHPQU-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001133819653 814300796 /nfs/dbraw/zinc/30/07/96/814300796.db2.gz KEYCYWCOODHPQU-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001133823633 814302463 /nfs/dbraw/zinc/30/24/63/814302463.db2.gz KUUFFURSVCIINR-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001133833709 814303580 /nfs/dbraw/zinc/30/35/80/814303580.db2.gz CVMVTMBYWHPYPC-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001133833709 814303586 /nfs/dbraw/zinc/30/35/86/814303586.db2.gz CVMVTMBYWHPYPC-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849829 814306326 /nfs/dbraw/zinc/30/63/26/814306326.db2.gz FCXIJIQPLFXSLX-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849829 814306334 /nfs/dbraw/zinc/30/63/34/814306334.db2.gz FCXIJIQPLFXSLX-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846332 814307734 /nfs/dbraw/zinc/30/77/34/814307734.db2.gz YZWFXLIEPDWKGH-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846332 814307739 /nfs/dbraw/zinc/30/77/39/814307739.db2.gz YZWFXLIEPDWKGH-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133846342 814308869 /nfs/dbraw/zinc/30/88/69/814308869.db2.gz ZDSCACRPMCTVOS-GFCCVEGCSA-N 1 3 280.376 -0.674 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853205 814310249 /nfs/dbraw/zinc/31/02/49/814310249.db2.gz DZXQTYADCXFPBD-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133853205 814310257 /nfs/dbraw/zinc/31/02/57/814310257.db2.gz DZXQTYADCXFPBD-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCc2ccnn2C)C1 ZINC001133854134 814311032 /nfs/dbraw/zinc/31/10/32/814311032.db2.gz YMNLHUWSXFQZFQ-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCc2ccnn2C)C1 ZINC001133854134 814311041 /nfs/dbraw/zinc/31/10/41/814311041.db2.gz YMNLHUWSXFQZFQ-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867037 814313807 /nfs/dbraw/zinc/31/38/07/814313807.db2.gz QSDXUCMAVPVUTJ-AAEUAGOBSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867037 814313816 /nfs/dbraw/zinc/31/38/16/814313816.db2.gz QSDXUCMAVPVUTJ-AAEUAGOBSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869714 814317121 /nfs/dbraw/zinc/31/71/21/814317121.db2.gz JYGWSQFBPOWYGF-PWSUYJOCSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869714 814317130 /nfs/dbraw/zinc/31/71/30/814317130.db2.gz JYGWSQFBPOWYGF-PWSUYJOCSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001133896697 814319214 /nfs/dbraw/zinc/31/92/14/814319214.db2.gz OUROLNRIOWGQBB-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133894003 814319770 /nfs/dbraw/zinc/31/97/70/814319770.db2.gz RRXGXDZSHALQNC-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001133899397 814320226 /nfs/dbraw/zinc/32/02/26/814320226.db2.gz FTKZXVLXVLNBDV-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896495 814320570 /nfs/dbraw/zinc/32/05/70/814320570.db2.gz LLCMJGKWZXMIRN-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001133965682 814330455 /nfs/dbraw/zinc/33/04/55/814330455.db2.gz DXUAXONQZCTOGT-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001133965674 814330476 /nfs/dbraw/zinc/33/04/76/814330476.db2.gz DOVWJFSCOVZHAX-NSHDSACASA-N 1 3 285.392 -0.942 20 0 CBADHO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001134613065 814399694 /nfs/dbraw/zinc/39/96/94/814399694.db2.gz RWMVQNPKAJSHIB-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780438 814413405 /nfs/dbraw/zinc/41/34/05/814413405.db2.gz GYKFAZNRWADNER-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780426 814413457 /nfs/dbraw/zinc/41/34/57/814413457.db2.gz GLELNFOSJZORJY-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915683 815604879 /nfs/dbraw/zinc/60/48/79/815604879.db2.gz LVIPUZNDLXWHSD-CQSZACIVSA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159925516 815605000 /nfs/dbraw/zinc/60/50/00/815605000.db2.gz RTYNVKRZNCWUSE-QWHCGFSZSA-N 1 3 287.404 -0.570 20 0 CBADHO C[NH+](C)Cc1ccc(C(=O)NCCNCC(N)=O)cc1 ZINC001135341144 814465317 /nfs/dbraw/zinc/46/53/17/814465317.db2.gz OWEYJYBLUUNBPV-UHFFFAOYSA-N 1 3 278.356 -0.447 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997346 815605928 /nfs/dbraw/zinc/60/59/28/815605928.db2.gz MZWIEBPAHCAYIL-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001159997110 815606681 /nfs/dbraw/zinc/60/66/81/815606681.db2.gz GQIUXGNSKOQXAX-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H]1CCNC1=O)C(C)C ZINC001135477889 814477450 /nfs/dbraw/zinc/47/74/50/814477450.db2.gz SMSQDMTWKGGPCK-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001135511421 814480624 /nfs/dbraw/zinc/48/06/24/814480624.db2.gz RPWWQXFFSXXNLZ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN(CC)CC)C(N)=O ZINC001135513384 814481628 /nfs/dbraw/zinc/48/16/28/814481628.db2.gz NIRHQFANDOKOCD-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001135511420 814481674 /nfs/dbraw/zinc/48/16/74/814481674.db2.gz RPWWQXFFSXXNLZ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001135523856 814484425 /nfs/dbraw/zinc/48/44/25/814484425.db2.gz NBDYSZUQAURMSR-CYBMUJFWSA-N 1 3 297.403 -0.708 20 0 CBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]21 ZINC001160084409 815610527 /nfs/dbraw/zinc/61/05/27/815610527.db2.gz FGVIIFCKKKECRE-KXNHARMFSA-N 1 3 282.388 -0.718 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001160421016 815618968 /nfs/dbraw/zinc/61/89/68/815618968.db2.gz OKXDSNOVFHWCNM-AWEZNQCLSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001160426916 815619288 /nfs/dbraw/zinc/61/92/88/815619288.db2.gz KDMVNWNADTVXBA-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420378 815619297 /nfs/dbraw/zinc/61/92/97/815619297.db2.gz BSDHIYVLVLDDHT-LBPRGKRZSA-N 1 3 272.393 -0.586 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427075 815619399 /nfs/dbraw/zinc/61/93/99/815619399.db2.gz MMDVGUKGHRMADH-STQMWFEESA-N 1 3 289.420 -0.324 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135981086 814542614 /nfs/dbraw/zinc/54/26/14/814542614.db2.gz XLMJHPAGVGNUDC-GHMZBOCLSA-N 1 3 272.393 -0.314 20 0 CBADHO CN1CCC(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001143305193 814769256 /nfs/dbraw/zinc/76/92/56/814769256.db2.gz PHXQUYPHDBJWIN-UHFFFAOYSA-N 1 3 263.363 -0.925 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146595284 814841800 /nfs/dbraw/zinc/84/18/00/814841800.db2.gz YFEWQFUSQVUCRO-QWRGUYRKSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001146711808 814845196 /nfs/dbraw/zinc/84/51/96/814845196.db2.gz YEWHNAORNRFYFG-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001146711808 814845200 /nfs/dbraw/zinc/84/52/00/814845200.db2.gz YEWHNAORNRFYFG-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001146719216 814845813 /nfs/dbraw/zinc/84/58/13/814845813.db2.gz LBKHMKBRWYRSJD-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001146719216 814845815 /nfs/dbraw/zinc/84/58/15/814845815.db2.gz LBKHMKBRWYRSJD-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824395 814917422 /nfs/dbraw/zinc/91/74/22/814917422.db2.gz JGBFKYMNNCMZBS-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826284 814917508 /nfs/dbraw/zinc/91/75/08/814917508.db2.gz UVFYJOCCELDYPD-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO Cn1cc(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001147878441 814922846 /nfs/dbraw/zinc/92/28/46/814922846.db2.gz YVYCWCYFSMDHEO-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1cc(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001147878441 814922850 /nfs/dbraw/zinc/92/28/50/814922850.db2.gz YVYCWCYFSMDHEO-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001147885461 814923153 /nfs/dbraw/zinc/92/31/53/814923153.db2.gz MJLBRLMKCCKLKQ-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001147885461 814923155 /nfs/dbraw/zinc/92/31/55/814923155.db2.gz MJLBRLMKCCKLKQ-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@]([NH3+])(CO)Nc1ccc(N2CCN(C)CC2)nn1 ZINC001159740035 815591713 /nfs/dbraw/zinc/59/17/13/815591713.db2.gz XWHVFEFAWCPFGS-CYBMUJFWSA-N 1 3 280.376 -0.302 20 0 CBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2c(nn1)CCNC2 ZINC001159755015 815593371 /nfs/dbraw/zinc/59/33/71/815593371.db2.gz GMQHGBIMSAJRSZ-ZYHUDNBSSA-N 1 3 291.355 -0.315 20 0 CBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]21 ZINC001160084411 815609866 /nfs/dbraw/zinc/60/98/66/815609866.db2.gz FGVIIFCKKKECRE-WHOHXGKFSA-N 1 3 282.388 -0.718 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456880 815624790 /nfs/dbraw/zinc/62/47/90/815624790.db2.gz RTTSRRXQBKEMHI-LBPRGKRZSA-N 1 3 299.419 -0.295 20 0 CBADHO NC(=O)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160456488 815625694 /nfs/dbraw/zinc/62/56/94/815625694.db2.gz KOCIIFYJPHWJPI-LLVKDONJSA-N 1 3 295.387 -0.917 20 0 CBADHO NC(=O)N1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160456488 815625697 /nfs/dbraw/zinc/62/56/97/815625697.db2.gz KOCIIFYJPHWJPI-LLVKDONJSA-N 1 3 295.387 -0.917 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160470885 815626294 /nfs/dbraw/zinc/62/62/94/815626294.db2.gz JQTMQQGGZGHHKS-NSHDSACASA-N 1 3 256.350 -0.963 20 0 CBADHO CC[NH+]1CCC(N(C)C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001160537498 815634714 /nfs/dbraw/zinc/63/47/14/815634714.db2.gz MIUYTSOOGFBYTL-GFCCVEGCSA-N 1 3 299.419 -0.295 20 0 CBADHO O=C(N1CCCC12COC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160542385 815635648 /nfs/dbraw/zinc/63/56/48/815635648.db2.gz VCTIBCKTYGSUKM-BXUZGUMPSA-N 1 3 265.357 -0.423 20 0 CBADHO CN(CC1(C)COC1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160544703 815635747 /nfs/dbraw/zinc/63/57/47/815635747.db2.gz MIOJJDKZJFJLRZ-BXUZGUMPSA-N 1 3 267.373 -0.320 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160558847 815637392 /nfs/dbraw/zinc/63/73/92/815637392.db2.gz XGMXQQKHKZECQS-JTQLQIEISA-N 1 3 251.334 -0.629 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640456 815648854 /nfs/dbraw/zinc/64/88/54/815648854.db2.gz CSXUQKXRMNYZAN-NEPJUHHUSA-N 1 3 298.387 -0.291 20 0 CBADHO CN(C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001160644510 815650534 /nfs/dbraw/zinc/65/05/34/815650534.db2.gz FETBGTNDRLYDFL-MFKMUULPSA-N 1 3 252.362 -0.900 20 0 CBADHO C[C@H]1CC(=O)CCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160643068 815650736 /nfs/dbraw/zinc/65/07/36/815650736.db2.gz XBWDFQFPVRFAKR-JOYOIKCWSA-N 1 3 253.346 -0.107 20 0 CBADHO O=C(N1CCC(=O)C(F)(F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160664204 815653997 /nfs/dbraw/zinc/65/39/97/815653997.db2.gz PBHHBZGBUIITKK-BXKDBHETSA-N 1 3 287.310 -0.378 20 0 CBADHO CN(Cc1ccon1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160688536 815656767 /nfs/dbraw/zinc/65/67/67/815656767.db2.gz QFQVNEBMTKPWPW-LLVKDONJSA-N 1 3 252.318 -0.040 20 0 CBADHO CN(Cc1ccon1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160689458 815657072 /nfs/dbraw/zinc/65/70/72/815657072.db2.gz XAWFDMXQNSOCGU-ZWNOBZJWSA-N 1 3 264.329 -0.168 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001160687267 815657825 /nfs/dbraw/zinc/65/78/25/815657825.db2.gz BDCHKRZDZWNZMX-LBPRGKRZSA-N 1 3 265.361 -0.166 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001160694751 815658440 /nfs/dbraw/zinc/65/84/40/815658440.db2.gz DOAJBJCSLKLNNM-ZYHUDNBSSA-N 1 3 265.361 -0.263 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160694751 815658441 /nfs/dbraw/zinc/65/84/41/815658441.db2.gz DOAJBJCSLKLNNM-ZYHUDNBSSA-N 1 3 265.361 -0.263 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001160694747 815658846 /nfs/dbraw/zinc/65/88/46/815658846.db2.gz DOAJBJCSLKLNNM-JQWIXIFHSA-N 1 3 265.361 -0.263 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160694747 815658851 /nfs/dbraw/zinc/65/88/51/815658851.db2.gz DOAJBJCSLKLNNM-JQWIXIFHSA-N 1 3 265.361 -0.263 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001160694745 815659103 /nfs/dbraw/zinc/65/91/03/815659103.db2.gz DOAJBJCSLKLNNM-CMPLNLGQSA-N 1 3 265.361 -0.263 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160694745 815659105 /nfs/dbraw/zinc/65/91/05/815659105.db2.gz DOAJBJCSLKLNNM-CMPLNLGQSA-N 1 3 265.361 -0.263 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705790 815661926 /nfs/dbraw/zinc/66/19/26/815661926.db2.gz RWKXZRXXPXMKLK-YUMQZZPRSA-N 1 3 269.267 -0.158 20 0 CBADHO O=C(N1CCN2CCC1CC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160725531 815664931 /nfs/dbraw/zinc/66/49/31/815664931.db2.gz BUJHPSYYMVADAC-SMDDNHRTSA-N 1 3 264.373 -0.756 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(n2ccnc2)CC1 ZINC001160726177 815665713 /nfs/dbraw/zinc/66/57/13/815665713.db2.gz KFJHMUPTNQXDJH-CYBMUJFWSA-N 1 3 289.383 -0.144 20 0 CBADHO CCN(CC(C)(C)O)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160755659 815667337 /nfs/dbraw/zinc/66/73/37/815667337.db2.gz NKSSJUPZGDCTLZ-LLVKDONJSA-N 1 3 257.378 -0.067 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160759846 815669078 /nfs/dbraw/zinc/66/90/78/815669078.db2.gz AZIHWUILZRWYTD-NSHDSACASA-N 1 3 265.361 -0.276 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160786763 815671858 /nfs/dbraw/zinc/67/18/58/815671858.db2.gz IBLLWGFJIXYECC-NEPJUHHUSA-N 1 3 297.374 -0.085 20 0 CBADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160819723 815672793 /nfs/dbraw/zinc/67/27/93/815672793.db2.gz LJFZRIBOAUMZHY-BJDJZHNGSA-N 1 3 283.372 -0.147 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2nncc2C1 ZINC001160834000 815675978 /nfs/dbraw/zinc/67/59/78/815675978.db2.gz WXBZBGRADQSAQN-GFCCVEGCSA-N 1 3 290.371 -0.506 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2nncc2C1 ZINC001160834000 815675980 /nfs/dbraw/zinc/67/59/80/815675980.db2.gz WXBZBGRADQSAQN-GFCCVEGCSA-N 1 3 290.371 -0.506 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001160837253 815676051 /nfs/dbraw/zinc/67/60/51/815676051.db2.gz GQOPZEKQCRUPEG-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972657 815692806 /nfs/dbraw/zinc/69/28/06/815692806.db2.gz RNIDGHYCKONSCZ-KEJSXXJDSA-N 1 3 283.344 -0.723 20 0 CBADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160941939 815690297 /nfs/dbraw/zinc/69/02/97/815690297.db2.gz PRSKJOVYUFXRIY-UWVGGRQHSA-N 1 3 256.350 -0.868 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967227 815691821 /nfs/dbraw/zinc/69/18/21/815691821.db2.gz LNVXHRBSUHCCHJ-SCZZXKLOSA-N 1 3 287.314 -0.515 20 0 CBADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001374 815694826 /nfs/dbraw/zinc/69/48/26/815694826.db2.gz YIYUEFQVKPDVRD-SDDRHHMPSA-N 1 3 285.363 -0.208 20 0 CBADHO CC(=O)[C@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161037961 815702092 /nfs/dbraw/zinc/70/20/92/815702092.db2.gz CEJFHZQSCJGEHL-RYUDHWBXSA-N 1 3 253.346 -0.249 20 0 CBADHO CN(C(=O)[C@@H](N)CC[S@](C)=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060230 815705200 /nfs/dbraw/zinc/70/52/00/815705200.db2.gz ALDLXHYGTODNTE-UYLUIQCMSA-N 1 3 275.418 -0.189 20 0 CBADHO CN(C(=O)[C@@H](N)CC[S@](C)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060231 815706253 /nfs/dbraw/zinc/70/62/53/815706253.db2.gz ALDLXHYGTODNTE-XJNHDZKPSA-N 1 3 275.418 -0.189 20 0 CBADHO CN(C(=O)[C@H](N)Cc1c[nH]cn1)C1(C)CC[NH2+]CC1 ZINC001161068917 815707386 /nfs/dbraw/zinc/70/73/86/815707386.db2.gz XYJKOJNNKVWNIZ-LLVKDONJSA-N 1 3 265.361 -0.120 20 0 CBADHO CN(C(=O)[C@H](N)Cc1cnc[nH]1)C1(C)CC[NH2+]CC1 ZINC001161068917 815707391 /nfs/dbraw/zinc/70/73/91/815707391.db2.gz XYJKOJNNKVWNIZ-LLVKDONJSA-N 1 3 265.361 -0.120 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@@H]21 ZINC001161081134 815708718 /nfs/dbraw/zinc/70/87/18/815708718.db2.gz FSLCARNIYHQSLC-DYEKYZERSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@@H]21 ZINC001161081446 815709080 /nfs/dbraw/zinc/70/90/80/815709080.db2.gz KHXZYZJDSHXFKM-CXTNEJHOSA-N 1 3 278.400 -0.510 20 0 CBADHO [NH3+]CCN(CCNc1cc2c(nn1)CCNC2)N(O)N=O ZINC001161092070 815712883 /nfs/dbraw/zinc/71/28/83/815712883.db2.gz KGXRWDROLZTVRA-UHFFFAOYSA-N 1 3 296.335 -0.918 20 0 CBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161093317 815714132 /nfs/dbraw/zinc/71/41/32/815714132.db2.gz LCBOKWZWGVTBHG-RYUDHWBXSA-N 1 3 299.371 -0.896 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161131704 815718632 /nfs/dbraw/zinc/71/86/32/815718632.db2.gz SCQHZOLNNVEILH-STQMWFEESA-N 1 3 284.404 -0.088 20 0 CBADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161231651 815729734 /nfs/dbraw/zinc/72/97/34/815729734.db2.gz NGVNSPLZXCLLBR-FSZOTQKASA-N 1 3 269.345 -0.654 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234711 815730155 /nfs/dbraw/zinc/73/01/55/815730155.db2.gz GRMPXIGNRDCQJA-QWRGUYRKSA-N 1 3 266.349 -0.492 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234708 815730164 /nfs/dbraw/zinc/73/01/64/815730164.db2.gz GRMPXIGNRDCQJA-GHMZBOCLSA-N 1 3 266.349 -0.492 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(N)=O ZINC001161251349 815734006 /nfs/dbraw/zinc/73/40/06/815734006.db2.gz PRATZUWCPGOSNN-UHFFFAOYSA-N 1 3 258.366 -0.702 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161295548 815737231 /nfs/dbraw/zinc/73/72/31/815737231.db2.gz LIRFYEROUZIECQ-RYUDHWBXSA-N 1 3 293.371 -0.087 20 0 CBADHO CCN(C(=O)[C@@H](N)CC[S@](C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161340652 815746306 /nfs/dbraw/zinc/74/63/06/815746306.db2.gz RVVRWDAXSQIRJZ-DDBGAENHSA-N 1 3 275.418 -0.317 20 0 CBADHO NC1(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC1 ZINC001161377607 815748118 /nfs/dbraw/zinc/74/81/18/815748118.db2.gz IWIBHYJYRMMVNZ-LLVKDONJSA-N 1 3 252.362 -0.498 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377202 815748187 /nfs/dbraw/zinc/74/81/87/815748187.db2.gz GBNLBKYUGOBJEH-MNOVXSKESA-N 1 3 290.358 -0.007 20 0 CBADHO NC(C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377560 815748631 /nfs/dbraw/zinc/74/86/31/815748631.db2.gz HPXLRDRQVBNRAR-ZJUUUORDSA-N 1 3 294.321 -0.100 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412044 815751226 /nfs/dbraw/zinc/75/12/26/815751226.db2.gz FKLXWOSKLZKZHL-KLHWPWHYSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412044 815751233 /nfs/dbraw/zinc/75/12/33/815751233.db2.gz FKLXWOSKLZKZHL-KLHWPWHYSA-N 1 3 263.345 -0.525 20 0 CBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@H]21 ZINC001161484277 815760355 /nfs/dbraw/zinc/76/03/55/815760355.db2.gz VCVSPUQPMCOONC-IJLUTSLNSA-N 1 3 282.388 -0.478 20 0 CBADHO COCCOC1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161572516 815773265 /nfs/dbraw/zinc/77/32/65/815773265.db2.gz RISDCIOYDICLIP-LBPRGKRZSA-N 1 3 271.361 -0.813 20 0 CBADHO NCc1ccnn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001162593309 815836528 /nfs/dbraw/zinc/83/65/28/815836528.db2.gz GWZBWSJGTOKHPP-LLVKDONJSA-N 1 3 260.301 -0.138 20 0 CBADHO COCC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162851950 815845719 /nfs/dbraw/zinc/84/57/19/815845719.db2.gz UIWOVIWINQCHRU-JVWICGRDSA-N 1 3 297.399 -0.408 20 0 CBADHO CN1CCOc2c1cnnc2NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152496 815861874 /nfs/dbraw/zinc/86/18/74/815861874.db2.gz DRWXWBHWFFOGJL-HZMBPMFUSA-N 1 3 291.355 -0.047 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)CNCC3)N1 ZINC001163235051 815866924 /nfs/dbraw/zinc/86/69/24/815866924.db2.gz AZGPGSCYIWJXHR-MFKMUULPSA-N 1 3 274.328 -0.888 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3c(n2)CNCC3)N1 ZINC001163239995 815870164 /nfs/dbraw/zinc/87/01/64/815870164.db2.gz WWEXIHCGWYDLNV-SMDDNHRTSA-N 1 3 273.340 -0.283 20 0 CBADHO CC[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001293333225 816516844 /nfs/dbraw/zinc/51/68/44/816516844.db2.gz KZAURRNKPLJCSU-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001293333225 816516848 /nfs/dbraw/zinc/51/68/48/816516848.db2.gz KZAURRNKPLJCSU-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001316626033 816872367 /nfs/dbraw/zinc/87/23/67/816872367.db2.gz LZYUQDGGKQJWCU-PHIMTYICSA-N 1 3 266.345 -0.263 20 0 CBADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCOCCO)C1 ZINC001316939780 816904062 /nfs/dbraw/zinc/90/40/62/816904062.db2.gz ARXSKVTWVQCJMO-KGLIPLIRSA-N 1 3 299.415 -0.330 20 0 CBADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCOCCO)C1 ZINC001316939780 816904069 /nfs/dbraw/zinc/90/40/69/816904069.db2.gz ARXSKVTWVQCJMO-KGLIPLIRSA-N 1 3 299.415 -0.330 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001317246672 816949655 /nfs/dbraw/zinc/94/96/55/816949655.db2.gz WYMJZVPIVIFUBY-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCO)C1 ZINC001317511451 817001191 /nfs/dbraw/zinc/00/11/91/817001191.db2.gz ASXKXQBYCJCJFN-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCO)C1 ZINC001317511451 817001199 /nfs/dbraw/zinc/00/11/99/817001199.db2.gz ASXKXQBYCJCJFN-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCN(CCCO)C2CC2)C1 ZINC001317562371 817009262 /nfs/dbraw/zinc/00/92/62/817009262.db2.gz ZXLPNORLZCLKPG-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCN(CCCO)C2CC2)C1 ZINC001317562371 817009269 /nfs/dbraw/zinc/00/92/69/817009269.db2.gz ZXLPNORLZCLKPG-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318168798 817081943 /nfs/dbraw/zinc/08/19/43/817081943.db2.gz IVSKVMLPAKIFRN-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318168798 817081948 /nfs/dbraw/zinc/08/19/48/817081948.db2.gz IVSKVMLPAKIFRN-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001318365983 817103781 /nfs/dbraw/zinc/10/37/81/817103781.db2.gz PMMDKSPNCYYUBA-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001318365983 817103788 /nfs/dbraw/zinc/10/37/88/817103788.db2.gz PMMDKSPNCYYUBA-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001319272131 817185241 /nfs/dbraw/zinc/18/52/41/817185241.db2.gz QFRCUSKPNPUERM-VHSXEESVSA-N 1 3 268.361 -0.017 20 0 CBADHO CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001320218730 817296383 /nfs/dbraw/zinc/29/63/83/817296383.db2.gz UKTGAGZDHHZJLA-RYUDHWBXSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)[C@@H](C(=O)NC/C=C/CNCC(=O)N(C)C)[NH+](C)C ZINC001321109083 817443670 /nfs/dbraw/zinc/44/36/70/817443670.db2.gz UQUCABOFFLIZQF-NPQIQWPPSA-N 1 3 298.431 -0.077 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321248305 817468680 /nfs/dbraw/zinc/46/86/80/817468680.db2.gz AUVNNCMFEVTWFW-AIMRDXAKSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321248305 817468684 /nfs/dbraw/zinc/46/86/84/817468684.db2.gz AUVNNCMFEVTWFW-AIMRDXAKSA-N 1 3 296.415 -0.275 20 0 CBADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001321349732 817487359 /nfs/dbraw/zinc/48/73/59/817487359.db2.gz KZNDDUYWWQAURQ-KZQRZKTQSA-N 1 3 284.404 -0.292 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001321418828 817496587 /nfs/dbraw/zinc/49/65/87/817496587.db2.gz JVEWGQKLGVUQOS-NTQVKLLNSA-N 1 3 296.415 -0.003 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001321418828 817496592 /nfs/dbraw/zinc/49/65/92/817496592.db2.gz JVEWGQKLGVUQOS-NTQVKLLNSA-N 1 3 296.415 -0.003 20 0 CBADHO [NH3+]CCN(CCO)c1ccc2c(n1)OCCNC2 ZINC001163827758 819853794 /nfs/dbraw/zinc/85/37/94/819853794.db2.gz MKSOFSKJCHVMFU-UHFFFAOYSA-N 1 3 252.318 -0.679 20 0 CBADHO c1nc2c(n1-c1ncnc3c1CC[NH2+]CC3)CNCC2 ZINC001164310226 819908814 /nfs/dbraw/zinc/90/88/14/819908814.db2.gz MOJRXMXBAWBBLI-UHFFFAOYSA-N 1 3 270.340 -0.004 20 0 CBADHO C[C@H]1CN(c2ccc(=NOCC[NH3+])[n-]n2)CC[NH2+]1 ZINC001164415450 819911798 /nfs/dbraw/zinc/91/17/98/819911798.db2.gz VVVCCQUJITWBQS-VIFPVBQESA-N 1 3 252.322 -0.423 20 0 CBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cc(CN)ncn1 ZINC001165404529 819960233 /nfs/dbraw/zinc/96/02/33/819960233.db2.gz GKTUCBDUTVOMLO-ZMLRMANQSA-N 1 3 291.355 -0.335 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001165617994 819978143 /nfs/dbraw/zinc/97/81/43/819978143.db2.gz UYKGQJMBQUVHSC-ZDUSSCGKSA-N 1 3 298.431 -0.066 20 0 CBADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001165788860 819984218 /nfs/dbraw/zinc/98/42/18/819984218.db2.gz WBSKLDWFZMBOGV-UHFFFAOYSA-N 1 3 297.359 -0.339 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001166004562 819988618 /nfs/dbraw/zinc/98/86/18/819988618.db2.gz RVBMBMQFUNMSJV-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001166004313 819989046 /nfs/dbraw/zinc/98/90/46/819989046.db2.gz KKOIHNASFMRVTL-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010151 819990410 /nfs/dbraw/zinc/99/04/10/819990410.db2.gz ISTMKOOGCHBDAQ-VXGBXAGGSA-N 1 3 286.420 -0.197 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676644 820013727 /nfs/dbraw/zinc/01/37/27/820013727.db2.gz AGQGDUNJHJHZNT-VXGBXAGGSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001166627138 820008399 /nfs/dbraw/zinc/00/83/99/820008399.db2.gz QUCWUIWDEGIGNQ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166633613 820009071 /nfs/dbraw/zinc/00/90/71/820009071.db2.gz IRIROAUXKJOVBP-GFCCVEGCSA-N 1 3 294.403 -0.105 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634873 820009113 /nfs/dbraw/zinc/00/91/13/820009113.db2.gz WVUXBQVPZSDKJP-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(N)=O ZINC001166634152 820010860 /nfs/dbraw/zinc/01/08/60/820010860.db2.gz PPZPZHBLKCSDGQ-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2cnnn2C)C1 ZINC001166667471 820013377 /nfs/dbraw/zinc/01/33/77/820013377.db2.gz BRQDTGUDKZHSQV-GFCCVEGCSA-N 1 3 294.403 -0.247 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678134 820013646 /nfs/dbraw/zinc/01/36/46/820013646.db2.gz SWAWYXZQWSGAAD-OLZOCXBDSA-N 1 3 287.404 -0.569 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166678109 820013904 /nfs/dbraw/zinc/01/39/04/820013904.db2.gz SBVVORDMJUSAIH-CYBMUJFWSA-N 1 3 294.403 -0.284 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708642 820019787 /nfs/dbraw/zinc/01/97/87/820019787.db2.gz VLMIJRITPMPCQC-YPMHNXCESA-N 1 3 294.403 -0.391 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708642 820019796 /nfs/dbraw/zinc/01/97/96/820019796.db2.gz VLMIJRITPMPCQC-YPMHNXCESA-N 1 3 294.403 -0.391 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232428 820075357 /nfs/dbraw/zinc/07/53/57/820075357.db2.gz CEHRPRNEUPSRMM-GFCCVEGCSA-N 1 3 296.415 -0.310 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001168755108 820174880 /nfs/dbraw/zinc/17/48/80/820174880.db2.gz IISRTNPPEBPCFO-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168755281 820174926 /nfs/dbraw/zinc/17/49/26/820174926.db2.gz LSKUKGHBQMJXFN-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001168763587 820180451 /nfs/dbraw/zinc/18/04/51/820180451.db2.gz QAWNQFDWANYBOW-UHFFFAOYSA-N 1 3 282.392 -0.284 20 0 CBADHO NCc1cnnn1-c1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001169311224 820226315 /nfs/dbraw/zinc/22/63/15/820226315.db2.gz SLLWSPBNJQHVRD-JTQLQIEISA-N 1 3 275.316 -0.353 20 0 CBADHO NCc1cnnn1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001169311211 820227093 /nfs/dbraw/zinc/22/70/93/820227093.db2.gz RVDXGFUYRHBIBZ-UHFFFAOYSA-N 1 3 260.301 -0.042 20 0 CBADHO CC(=O)N1CC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001169535308 820253032 /nfs/dbraw/zinc/25/30/32/820253032.db2.gz RVLWWMGMSINRDS-AWEZNQCLSA-N 1 3 268.405 -0.036 20 0 CBADHO CN1CC(CNc2nccc(N3CC[NH2+]CC3)n2)C1 ZINC001170250106 820283269 /nfs/dbraw/zinc/28/32/69/820283269.db2.gz YJCBATHDRDBENJ-UHFFFAOYSA-N 1 3 262.361 -0.140 20 0 CBADHO [NH3+]CCOCCOCCNc1ccc2c(n1)OCCNC2 ZINC001170509138 820297626 /nfs/dbraw/zinc/29/76/26/820297626.db2.gz XFPHOBGXTBVDDL-UHFFFAOYSA-N 1 3 296.371 -0.033 20 0 CBADHO COc1c(N[C@@H](C)[C@H]2CNCCO2)ncnc1C1C[NH2+]C1 ZINC001170566604 820307062 /nfs/dbraw/zinc/30/70/62/820307062.db2.gz AGECDFKYWXJDTM-GXSJLCMTSA-N 1 3 293.371 -0.039 20 0 CBADHO C[C@@H](Nc1ncc2c(n1)CNCC2)[C@H]1C[NH2+]CCO1 ZINC001170566144 820307378 /nfs/dbraw/zinc/30/73/78/820307378.db2.gz XIEVDCIJMRTKFB-BXKDBHETSA-N 1 3 263.345 -0.089 20 0 CBADHO CNCc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ncn1 ZINC001170574737 820307765 /nfs/dbraw/zinc/30/77/65/820307765.db2.gz WMXPSLALVFMTJO-MWLCHTKSSA-N 1 3 251.334 -0.015 20 0 CBADHO CNCc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ncn1 ZINC001170574738 820309196 /nfs/dbraw/zinc/30/91/96/820309196.db2.gz WMXPSLALVFMTJO-ONGXEEELSA-N 1 3 251.334 -0.015 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216365 820350735 /nfs/dbraw/zinc/35/07/35/820350735.db2.gz HFSCLEJTCJDAQW-LBPRGKRZSA-N 1 3 294.403 -0.247 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171216365 820350744 /nfs/dbraw/zinc/35/07/44/820350744.db2.gz HFSCLEJTCJDAQW-LBPRGKRZSA-N 1 3 294.403 -0.247 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001171762996 820368928 /nfs/dbraw/zinc/36/89/28/820368928.db2.gz PMLADUVWOZVMFB-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001171770423 820369236 /nfs/dbraw/zinc/36/92/36/820369236.db2.gz QQWYYUOEHOCPRW-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171762796 820370826 /nfs/dbraw/zinc/37/08/26/820370826.db2.gz LHLNFIGAFLUUBJ-NSHDSACASA-N 1 3 298.387 -0.771 20 0 CBADHO [NH3+]CCN1CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173734646 820409368 /nfs/dbraw/zinc/40/93/68/820409368.db2.gz NUVYGMTULKCUIA-OLZOCXBDSA-N 1 3 279.392 -0.267 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174682604 820414953 /nfs/dbraw/zinc/41/49/53/820414953.db2.gz JXUCXABYPGVZIX-LLVKDONJSA-N 1 3 284.360 -0.636 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCO ZINC001174691497 820416004 /nfs/dbraw/zinc/41/60/04/820416004.db2.gz MUPFCLHQRQVPRN-UHFFFAOYSA-N 1 3 254.334 -0.261 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176980363 820484037 /nfs/dbraw/zinc/48/40/37/820484037.db2.gz DFQZFQPUNDIANA-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176971709 820485118 /nfs/dbraw/zinc/48/51/18/820485118.db2.gz FYQHYBCYHVISPM-JTQLQIEISA-N 1 3 258.366 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176974976 820485175 /nfs/dbraw/zinc/48/51/75/820485175.db2.gz FMTHNUHIYQBHFI-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975133 820485393 /nfs/dbraw/zinc/48/53/93/820485393.db2.gz KEPVVTAVNWGAPE-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1CCCN1C ZINC001178356805 820577624 /nfs/dbraw/zinc/57/76/24/820577624.db2.gz RWTZSPDLVOVPJE-RWMBFGLXSA-N 1 3 296.415 -0.252 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178360844 820578635 /nfs/dbraw/zinc/57/86/35/820578635.db2.gz RFPNNGNPHIHYSV-XDQVBPFNSA-N 1 3 299.415 -0.333 20 0 CBADHO CCCN(C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008761 820614026 /nfs/dbraw/zinc/61/40/26/820614026.db2.gz RGYCSCGGVZHXON-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC(N[C@H]3CCOC3)C2)CC1 ZINC001179007799 820614105 /nfs/dbraw/zinc/61/41/05/820614105.db2.gz CRRPRBBXUPNGLG-NSHDSACASA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179486088 820630073 /nfs/dbraw/zinc/63/00/73/820630073.db2.gz HQPHMAUNEMILAH-AVGNSLFASA-N 1 3 298.431 -0.006 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179987187 820647548 /nfs/dbraw/zinc/64/75/48/820647548.db2.gz OIILRSMXTALDLY-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131976 820652684 /nfs/dbraw/zinc/65/26/84/820652684.db2.gz PQCRLSIOCYLVCY-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001180226629 820655183 /nfs/dbraw/zinc/65/51/83/820655183.db2.gz DIKONGKOLNMGIQ-RWMBFGLXSA-N 1 3 296.415 -0.206 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653330 820806248 /nfs/dbraw/zinc/80/62/48/820806248.db2.gz XXIGNSHLNHUDEG-AGIUHOORSA-N 1 3 285.388 -0.722 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653331 820806613 /nfs/dbraw/zinc/80/66/13/820806613.db2.gz XXIGNSHLNHUDEG-FRRDWIJNSA-N 1 3 285.388 -0.722 20 0 CBADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651291 820807209 /nfs/dbraw/zinc/80/72/09/820807209.db2.gz AKJASYLYCNUSGG-KGLIPLIRSA-N 1 3 299.415 -0.066 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651344 820807481 /nfs/dbraw/zinc/80/74/81/820807481.db2.gz BFHIYAVQKIKKQD-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652805 820807809 /nfs/dbraw/zinc/80/78/09/820807809.db2.gz QEFXFBKQFRGJGF-MNOVXSKESA-N 1 3 268.361 -0.983 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652801 820808620 /nfs/dbraw/zinc/80/86/20/820808620.db2.gz QEFXFBKQFRGJGF-GHMZBOCLSA-N 1 3 268.361 -0.983 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001181704986 820815867 /nfs/dbraw/zinc/81/58/67/820815867.db2.gz NQGWNEFYCADCPU-SSDOTTSWSA-N 1 3 252.278 -0.635 20 0 CBADHO CC[NH+](CC)CCNC(=O)C1(O)CCN(C)CC1 ZINC001182028937 820851822 /nfs/dbraw/zinc/85/18/22/820851822.db2.gz JHYMPTKCGZIFIW-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN1CCC(O)(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC001182037080 820857958 /nfs/dbraw/zinc/85/79/58/820857958.db2.gz UDIIXYZCCIAIBG-NSHDSACASA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CCC(O)(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001182037080 820857969 /nfs/dbraw/zinc/85/79/69/820857969.db2.gz UDIIXYZCCIAIBG-NSHDSACASA-N 1 3 255.362 -0.489 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229546 820983708 /nfs/dbraw/zinc/98/37/08/820983708.db2.gz MDJCLNHAMYDSSQ-OLZOCXBDSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450302 820995253 /nfs/dbraw/zinc/99/52/53/820995253.db2.gz NOONMRGJOBOFRY-XQQFMLRXSA-N 1 3 298.431 -0.102 20 0 CBADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](NCC(N)=O)C2)CCCC1 ZINC001184629271 821081532 /nfs/dbraw/zinc/08/15/32/821081532.db2.gz VSHPKWQFQHUNES-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001185229788 821104042 /nfs/dbraw/zinc/10/40/42/821104042.db2.gz HHWUZUBENFDDDL-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001185229782 821104292 /nfs/dbraw/zinc/10/42/92/821104292.db2.gz HHWUZUBENFDDDL-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185202623 821104430 /nfs/dbraw/zinc/10/44/30/821104430.db2.gz AULJNNLEOQDTAK-QWRGUYRKSA-N 1 3 293.371 -0.488 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185248632 821108349 /nfs/dbraw/zinc/10/83/49/821108349.db2.gz JBSVXMGLDOJJEM-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185400727 821127041 /nfs/dbraw/zinc/12/70/41/821127041.db2.gz GEOXVOGNBDBABJ-VHSXEESVSA-N 1 3 256.350 -0.998 20 0 CBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185400588 821127406 /nfs/dbraw/zinc/12/74/06/821127406.db2.gz DPHIJNTWJURYSX-NEPJUHHUSA-N 1 3 282.388 -0.641 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185415894 821128423 /nfs/dbraw/zinc/12/84/23/821128423.db2.gz JIKQYGXIFFPKTE-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446419 821130837 /nfs/dbraw/zinc/13/08/37/821130837.db2.gz MRWCZWPOIDZSAE-DGCLKSJQSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651321 821137086 /nfs/dbraw/zinc/13/70/86/821137086.db2.gz XOCJKYZWBKSABE-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185651321 821137092 /nfs/dbraw/zinc/13/70/92/821137092.db2.gz XOCJKYZWBKSABE-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659689 821138039 /nfs/dbraw/zinc/13/80/39/821138039.db2.gz OJWVAXVFYJOHAJ-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659689 821138045 /nfs/dbraw/zinc/13/80/45/821138045.db2.gz OJWVAXVFYJOHAJ-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715602 821140109 /nfs/dbraw/zinc/14/01/09/821140109.db2.gz GGORRDXTKKCFCY-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001185715361 821140222 /nfs/dbraw/zinc/14/02/22/821140222.db2.gz CEERSULUDJUWBI-AGIUHOORSA-N 1 3 287.404 -0.476 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001185716413 821140153 /nfs/dbraw/zinc/14/01/53/821140153.db2.gz WVAJZDQJMGRSTP-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001185705398 821141089 /nfs/dbraw/zinc/14/10/89/821141089.db2.gz AOYLRSZFMBGTQS-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185918177 821145110 /nfs/dbraw/zinc/14/51/10/821145110.db2.gz KPOMTKPOXBYESS-ZYHUDNBSSA-N 1 3 282.344 -0.850 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185919607 821145219 /nfs/dbraw/zinc/14/52/19/821145219.db2.gz XAGBIUIKYJLRHR-LLVKDONJSA-N 1 3 282.344 -0.848 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001186458835 821184391 /nfs/dbraw/zinc/18/43/91/821184391.db2.gz QYXJYSPGVSOHSB-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001186496805 821185142 /nfs/dbraw/zinc/18/51/42/821185142.db2.gz RIPZAYFEDNUBCQ-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001186497148 821185647 /nfs/dbraw/zinc/18/56/47/821185647.db2.gz ZCFNJFXIMGBVIA-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001186824928 821199163 /nfs/dbraw/zinc/19/91/63/821199163.db2.gz RBKBODHWWSATFX-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001186824928 821199169 /nfs/dbraw/zinc/19/91/69/821199169.db2.gz RBKBODHWWSATFX-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186808329 821199380 /nfs/dbraw/zinc/19/93/80/821199380.db2.gz MOLHGYOGSKQOHM-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186808329 821199382 /nfs/dbraw/zinc/19/93/82/821199382.db2.gz MOLHGYOGSKQOHM-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001187276439 822263469 /nfs/dbraw/zinc/26/34/69/822263469.db2.gz JSQZHUSRQQIDNZ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001187276439 822263477 /nfs/dbraw/zinc/26/34/77/822263477.db2.gz JSQZHUSRQQIDNZ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001187306415 822264990 /nfs/dbraw/zinc/26/49/90/822264990.db2.gz IGTHMYHXDPVPAM-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834397 822297752 /nfs/dbraw/zinc/29/77/52/822297752.db2.gz BYZJHJKBVHIKSA-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835425 822298555 /nfs/dbraw/zinc/29/85/55/822298555.db2.gz XOBSKVRHMLXSNH-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCO ZINC001282141508 828436457 /nfs/dbraw/zinc/43/64/57/828436457.db2.gz OKLXOUARIZVQEK-GHMZBOCLSA-N 1 3 257.378 -0.054 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCO ZINC001282230218 828439676 /nfs/dbraw/zinc/43/96/76/828439676.db2.gz VDKGIRNUJGYIHX-BDAKNGLRSA-N 1 3 254.334 -0.264 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC001283941366 828561036 /nfs/dbraw/zinc/56/10/36/828561036.db2.gz XEGFFZDZBABGIZ-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cn[nH]c(=O)c1 ZINC001191576772 823906095 /nfs/dbraw/zinc/90/60/95/823906095.db2.gz XSVBSWAUYUUXHX-UHFFFAOYSA-N 1 3 252.278 -0.743 20 0 CBADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728479 823918798 /nfs/dbraw/zinc/91/87/98/823918798.db2.gz ZLGGOPJJKIVEHO-HZSPNIEDSA-N 1 3 299.415 -0.379 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728479 823918806 /nfs/dbraw/zinc/91/88/06/823918806.db2.gz ZLGGOPJJKIVEHO-HZSPNIEDSA-N 1 3 299.415 -0.379 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001193642066 824041370 /nfs/dbraw/zinc/04/13/70/824041370.db2.gz LECAFWMYZSTBTD-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001193642066 824041379 /nfs/dbraw/zinc/04/13/79/824041379.db2.gz LECAFWMYZSTBTD-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039202 824056220 /nfs/dbraw/zinc/05/62/20/824056220.db2.gz LJXQLUOZTPYNNN-ZIAGYGMSSA-N 1 3 299.415 -0.378 20 0 CBADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039202 824056227 /nfs/dbraw/zinc/05/62/27/824056227.db2.gz LJXQLUOZTPYNNN-ZIAGYGMSSA-N 1 3 299.415 -0.378 20 0 CBADHO CCn1cccc(C(=O)N(CCCC[NH3+])C(=N)N)c1=O ZINC001194481907 824076321 /nfs/dbraw/zinc/07/63/21/824076321.db2.gz SIEYWCDDPCLGJX-UHFFFAOYSA-N 1 3 279.344 -0.057 20 0 CBADHO COC[C@H](O)CN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097401 824218267 /nfs/dbraw/zinc/21/82/67/824218267.db2.gz ACDNCQCWLOTEJV-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO COC[C@H](O)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097401 824218276 /nfs/dbraw/zinc/21/82/76/824218276.db2.gz ACDNCQCWLOTEJV-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001200704633 824324792 /nfs/dbraw/zinc/32/47/92/824324792.db2.gz ODOIXDOAFDWHHO-CQSZACIVSA-N 1 3 299.415 -0.330 20 0 CBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001201321174 824331379 /nfs/dbraw/zinc/33/13/79/824331379.db2.gz GPLDKZHZQFHGBP-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202166004 824341830 /nfs/dbraw/zinc/34/18/30/824341830.db2.gz UCFYUKARLONJIR-CYBMUJFWSA-N 1 3 287.404 -0.474 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353320 824346654 /nfs/dbraw/zinc/34/66/54/824346654.db2.gz HVERRWFZRJABPH-CQSZACIVSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705458 824362822 /nfs/dbraw/zinc/36/28/22/824362822.db2.gz WHXUZZRUPADYDV-UHFFFAOYSA-N 1 3 282.388 -0.591 20 0 CBADHO O=C(CN1CCCC1)N1CCC([NH2+]CCOCCO)CC1 ZINC001203709266 824363186 /nfs/dbraw/zinc/36/31/86/824363186.db2.gz PPNOSYXPGZPVOW-UHFFFAOYSA-N 1 3 299.415 -0.328 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925513 824363670 /nfs/dbraw/zinc/36/36/70/824363670.db2.gz QOLKRHTYBUBRPO-UHFFFAOYSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203925483 824363840 /nfs/dbraw/zinc/36/38/40/824363840.db2.gz PJANWYBMBNVDDZ-NSHDSACASA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206275221 824396585 /nfs/dbraw/zinc/39/65/85/824396585.db2.gz PZPLGVRGQVQGAZ-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206404326 824398856 /nfs/dbraw/zinc/39/88/56/824398856.db2.gz YOHQOUFGWVMSFS-UHFFFAOYSA-N 1 3 293.371 -0.474 20 0 CBADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206653678 824404451 /nfs/dbraw/zinc/40/44/51/824404451.db2.gz MCQUVKMMBCQBNX-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001206929151 824413166 /nfs/dbraw/zinc/41/31/66/824413166.db2.gz WKZMLKVRHHVODP-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688009 824433953 /nfs/dbraw/zinc/43/39/53/824433953.db2.gz KYECMCRLBMCKKT-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684215 824434458 /nfs/dbraw/zinc/43/44/58/824434458.db2.gz KNUUJWUGHJMKOU-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070076 824446508 /nfs/dbraw/zinc/44/65/08/824446508.db2.gz CMTHEZJPVRQMKA-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070076 824446511 /nfs/dbraw/zinc/44/65/11/824446511.db2.gz CMTHEZJPVRQMKA-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373313 824452009 /nfs/dbraw/zinc/45/20/09/824452009.db2.gz HYCILFFLXMHZGC-OCCSQVGLSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420041 824471173 /nfs/dbraw/zinc/47/11/73/824471173.db2.gz RFANDZIDGUEDTP-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445043 824471208 /nfs/dbraw/zinc/47/12/08/824471208.db2.gz JWZIFRUBVPDMKY-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454467 824471836 /nfs/dbraw/zinc/47/18/36/824471836.db2.gz LRORKHAKHAKBQW-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001209668106 824473743 /nfs/dbraw/zinc/47/37/43/824473743.db2.gz BGZCKERQOBKARM-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO NC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229287 824483368 /nfs/dbraw/zinc/48/33/68/824483368.db2.gz SGRRMOBAUQIMIR-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001211286480 824484160 /nfs/dbraw/zinc/48/41/60/824484160.db2.gz UWMKNSCSCKLNHF-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO NC1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CNC1 ZINC001212130085 824501004 /nfs/dbraw/zinc/50/10/04/824501004.db2.gz XMZXZXYPFCVOTI-UHFFFAOYSA-N 1 3 272.312 -0.466 20 0 CBADHO CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719091 824514761 /nfs/dbraw/zinc/51/47/61/824514761.db2.gz MZGPMCRHFRJUEE-CHWSQXEVSA-N 1 3 287.404 -0.210 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857712 824515910 /nfs/dbraw/zinc/51/59/10/824515910.db2.gz TYQNSDXCGLKQBG-MGPQQGTHSA-N 1 3 299.415 -0.210 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857712 824515911 /nfs/dbraw/zinc/51/59/11/824515911.db2.gz TYQNSDXCGLKQBG-MGPQQGTHSA-N 1 3 299.415 -0.210 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215004243 824537817 /nfs/dbraw/zinc/53/78/17/824537817.db2.gz WANKFGYFMXDVMT-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215004243 824537824 /nfs/dbraw/zinc/53/78/24/824537824.db2.gz WANKFGYFMXDVMT-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413757 824541517 /nfs/dbraw/zinc/54/15/17/824541517.db2.gz LLWWUPAGMRGQAJ-VXGBXAGGSA-N 1 3 296.415 -0.489 20 0 CBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455687 824541683 /nfs/dbraw/zinc/54/16/83/824541683.db2.gz BQZJPQREEXJVLK-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001215422057 824541955 /nfs/dbraw/zinc/54/19/55/824541955.db2.gz VUQWRPWEZQVXET-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474450 824542169 /nfs/dbraw/zinc/54/21/69/824542169.db2.gz SEBKKLMRHYSGGY-YRGRVCCFSA-N 1 3 298.431 -0.245 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOCCO ZINC001215681436 824543296 /nfs/dbraw/zinc/54/32/96/824543296.db2.gz ZIPZDSOCTSURDB-DGCLKSJQSA-N 1 3 296.371 -0.602 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852270 824550243 /nfs/dbraw/zinc/55/02/43/824550243.db2.gz TVKSAUXACMRDLJ-JHJVBQTASA-N 1 3 298.431 -0.102 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001216851818 824550748 /nfs/dbraw/zinc/55/07/48/824550748.db2.gz JACDGAHYYFMBRH-GHMZBOCLSA-N 1 3 270.377 -0.752 20 0 CBADHO Cc1cnc(C)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218496864 824570140 /nfs/dbraw/zinc/57/01/40/824570140.db2.gz PUVSNGLDCDDPAH-SNVBAGLBSA-N 1 3 261.329 -0.159 20 0 CBADHO CN[C@@H](CCCC[NH3+])C(=O)n1c(N)csc1=N ZINC001218541780 824586656 /nfs/dbraw/zinc/58/66/56/824586656.db2.gz UOZKYDWBVNDRHA-ZETCQYMHSA-N 1 3 257.363 -0.032 20 0 CBADHO O=C(Nc1[nH]nc2cccnc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218522686 824581813 /nfs/dbraw/zinc/58/18/13/824581813.db2.gz MRHRGFFXTRIJDS-MRVPVSSYSA-N 1 3 272.312 -0.295 20 0 CBADHO Cc1cc(NC(=O)[C@@H](N)CCC[NH3+])n2ncnc2n1 ZINC001218527941 824584444 /nfs/dbraw/zinc/58/44/44/824584444.db2.gz POQUBZXIQAATES-QMMMGPOBSA-N 1 3 263.305 -0.563 20 0 CBADHO N[C@H](C(=O)Nc1ncnn2cccc12)C1CC[NH2+]CC1 ZINC001218564943 824593013 /nfs/dbraw/zinc/59/30/13/824593013.db2.gz MVEVOZYEWRTTQG-NSHDSACASA-N 1 3 274.328 -0.583 20 0 CBADHO O=C(Nc1noc2nccnc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218574734 824597743 /nfs/dbraw/zinc/59/77/43/824597743.db2.gz ZSHUQNLMCUPJTB-ZETCQYMHSA-N 1 3 274.284 -0.635 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001218603871 824601547 /nfs/dbraw/zinc/60/15/47/824601547.db2.gz IJMXJHOLJLSHOM-RWYTXXIDSA-N 1 3 265.292 -0.449 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218603862 824602118 /nfs/dbraw/zinc/60/21/18/824602118.db2.gz IFFPSRJZNAELMJ-SSDOTTSWSA-N 1 3 265.292 -0.862 20 0 CBADHO COC(=O)Cn1cc(NC(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001218609974 824603134 /nfs/dbraw/zinc/60/31/34/824603134.db2.gz LTQYCEXXCNZBBT-VIFPVBQESA-N 1 3 269.305 -0.939 20 0 CBADHO CCOc1cnc(NC(=O)[C@H](N)CCC[NH3+])cn1 ZINC001218620387 824606686 /nfs/dbraw/zinc/60/66/86/824606686.db2.gz LNWZZVGBWNDXOG-MRVPVSSYSA-N 1 3 253.306 -0.120 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nccnc1N ZINC001218623493 824607827 /nfs/dbraw/zinc/60/78/27/824607827.db2.gz OVQUOALJXVMNLM-NOZJJQNGSA-N 1 3 276.344 -0.779 20 0 CBADHO Cc1ncnc(C)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218638164 824611661 /nfs/dbraw/zinc/61/16/61/824611661.db2.gz MNQULICWRWJTFD-JTQLQIEISA-N 1 3 261.329 -0.159 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218639910 824612500 /nfs/dbraw/zinc/61/25/00/824612500.db2.gz ISVJNSCRXJKCPF-SSDOTTSWSA-N 1 3 269.305 -0.491 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218640007 824612912 /nfs/dbraw/zinc/61/29/12/824612912.db2.gz KURCUDVCPCQXQZ-MRVPVSSYSA-N 1 3 293.327 -0.748 20 0 CBADHO CCc1nccnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218646809 824613861 /nfs/dbraw/zinc/61/38/61/824613861.db2.gz SCWZXBZCZHOLPM-VIFPVBQESA-N 1 3 261.329 -0.214 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218642442 824613944 /nfs/dbraw/zinc/61/39/44/824613944.db2.gz VUAOPWRCKDCNIT-QMMMGPOBSA-N 1 3 298.778 -0.126 20 0 CBADHO COc1ncnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1OC ZINC001218652088 824615871 /nfs/dbraw/zinc/61/58/71/824615871.db2.gz BRUCDOWZJHRRNV-MRVPVSSYSA-N 1 3 293.327 -0.759 20 0 CBADHO Cc1c[nH]c(=O)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218651989 824616196 /nfs/dbraw/zinc/61/61/96/824616196.db2.gz SMLABIJVANZWIW-SECBINFHSA-N 1 3 262.313 -0.157 20 0 CBADHO O=C(Nc1ccn2cnnc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218657215 824617403 /nfs/dbraw/zinc/61/74/03/824617403.db2.gz DYKKBOYEKCZEIM-SNVBAGLBSA-N 1 3 272.312 -0.523 20 0 CBADHO Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc(=O)o1 ZINC001218681270 824622065 /nfs/dbraw/zinc/62/20/65/824622065.db2.gz AJUZMGJYSZHWST-SNVBAGLBSA-N 1 3 263.297 -0.304 20 0 CBADHO COCn1cc(NC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218700149 824623862 /nfs/dbraw/zinc/62/38/62/824623862.db2.gz DYZZYNDXHOHAMX-JTQLQIEISA-N 1 3 255.322 -0.118 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710225 824626633 /nfs/dbraw/zinc/62/66/33/824626633.db2.gz GOANDIZQJFEPPA-HTQZYQBOSA-N 1 3 254.290 -0.253 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218713481 824628037 /nfs/dbraw/zinc/62/80/37/824628037.db2.gz RZSPCVPJTHBEMO-KHQFGBGNSA-N 1 3 266.301 -0.240 20 0 CBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218713659 824628169 /nfs/dbraw/zinc/62/81/69/824628169.db2.gz UIBXBNUOHKFSRK-CIUDSAMLSA-N 1 3 265.317 -0.416 20 0 CBADHO COc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218720394 824628600 /nfs/dbraw/zinc/62/86/00/824628600.db2.gz IBYGSIHZCJQZFK-SSDOTTSWSA-N 1 3 297.746 -0.114 20 0 CBADHO Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H](N)CCC[NH3+] ZINC001218718964 824629471 /nfs/dbraw/zinc/62/94/71/824629471.db2.gz ULLWAMLGURXPMC-VIFPVBQESA-N 1 3 252.318 -0.246 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@@H](N)CCC[NH3+] ZINC001218739372 824630791 /nfs/dbraw/zinc/63/07/91/824630791.db2.gz CHJYQUFJBFVIPN-JTQLQIEISA-N 1 3 251.334 -0.303 20 0 CBADHO CN(C)c1cc(NC(=O)[C@@H](N)CCCC[NH3+])[nH]n1 ZINC001218743340 824632155 /nfs/dbraw/zinc/63/21/55/824632155.db2.gz QYDNYIMVGAIBQU-QMMMGPOBSA-N 1 3 254.338 -0.130 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751157 824632921 /nfs/dbraw/zinc/63/29/21/824632921.db2.gz CGXVWBYHGVMESE-SSDOTTSWSA-N 1 3 289.286 -0.085 20 0 CBADHO Cc1cnn(CCO)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218754508 824634781 /nfs/dbraw/zinc/63/47/81/824634781.db2.gz QEBITHPEBPRTKL-BXUZGUMPSA-N 1 3 293.371 -0.679 20 0 CBADHO COc1nc(NC(=O)[C@H](N)CCC[NH3+])c(C)c(OC)n1 ZINC001218767477 824635490 /nfs/dbraw/zinc/63/54/90/824635490.db2.gz AJJZSMCDDYKARH-MRVPVSSYSA-N 1 3 283.332 -0.193 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])CCC[NH3+])[n-]1 ZINC001218763744 824635513 /nfs/dbraw/zinc/63/55/13/824635513.db2.gz HEIWMYZKHPRLNE-ZETCQYMHSA-N 1 3 269.305 -0.409 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218764596 824635549 /nfs/dbraw/zinc/63/55/49/824635549.db2.gz QZPUVOZQWBPPAL-JTQLQIEISA-N 1 3 289.339 -0.811 20 0 CBADHO N[C@H](C(=O)Nc1cnc2nccn2c1)C1CC[NH2+]CC1 ZINC001218784948 824637555 /nfs/dbraw/zinc/63/75/55/824637555.db2.gz NOKFOIXBTICTSP-NSHDSACASA-N 1 3 274.328 -0.005 20 0 CBADHO Cn1nnc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccc21 ZINC001218876967 824643864 /nfs/dbraw/zinc/64/38/64/824643864.db2.gz DRTGYEGWLCMAFX-SNVBAGLBSA-N 1 3 286.339 -0.284 20 0 CBADHO NC(=O)Cc1cccc(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001218955742 824649638 /nfs/dbraw/zinc/64/96/38/824649638.db2.gz YBMXGYAYKZALEP-NSHDSACASA-N 1 3 264.329 -0.281 20 0 CBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1CNCCN1 ZINC001219537320 824723243 /nfs/dbraw/zinc/72/32/43/824723243.db2.gz KZCFOMATUSEBNO-IRUJWGPZSA-N 1 3 288.351 -0.366 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC001219554124 824727834 /nfs/dbraw/zinc/72/78/34/824727834.db2.gz XNRUMCURZXDZSS-QWRGUYRKSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)OCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219557774 824728924 /nfs/dbraw/zinc/72/89/24/824728924.db2.gz DAICILKVLWCWSE-DGCLKSJQSA-N 1 3 255.362 -0.273 20 0 CBADHO N[C@H](C(=O)NCCN1CCCCC1=O)C1CC[NH2+]CC1 ZINC001219569579 824732615 /nfs/dbraw/zinc/73/26/15/824732615.db2.gz XFGXSEIDQNRNPM-ZDUSSCGKSA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)C[NH2+]1 ZINC001219579652 824735221 /nfs/dbraw/zinc/73/52/21/824735221.db2.gz CGFOEJUQSLQBAH-QXEWZRGKSA-N 1 3 251.334 -0.464 20 0 CBADHO Cc1cc(C)n(CCNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001219595898 824738777 /nfs/dbraw/zinc/73/87/77/824738777.db2.gz VAVDLFMWJAWXGD-NSHDSACASA-N 1 3 253.350 -0.318 20 0 CBADHO Cc1ncc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)s1 ZINC001219595519 824739346 /nfs/dbraw/zinc/73/93/46/824739346.db2.gz DKIIWASUKBWWNH-JTQLQIEISA-N 1 3 266.370 -0.123 20 0 CBADHO Cc1ccnc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001219600195 824740301 /nfs/dbraw/zinc/74/03/01/824740301.db2.gz KVQZDRKQMZWLFJ-GFCCVEGCSA-N 1 3 263.345 -0.272 20 0 CBADHO Cc1ccnc(CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219599767 824740629 /nfs/dbraw/zinc/74/06/29/824740629.db2.gz FMULUNUMLUMZBI-JTQLQIEISA-N 1 3 251.334 -0.142 20 0 CBADHO Cc1cnc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1 ZINC001219600706 824740663 /nfs/dbraw/zinc/74/06/63/824740663.db2.gz DDPTTXZBIWDEAE-NSHDSACASA-N 1 3 275.356 -0.747 20 0 CBADHO Cc1cccn2c(CNC(=O)[C@@H](N)CCC[NH3+])nnc12 ZINC001219597849 824740751 /nfs/dbraw/zinc/74/07/51/824740751.db2.gz WTCNGSIESIDJEK-JTQLQIEISA-N 1 3 276.344 -0.280 20 0 CBADHO N[C@H](C(=O)NC[C@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603667 824850151 /nfs/dbraw/zinc/85/01/51/824850151.db2.gz CMMAWIDFYLICHH-JQWIXIFHSA-N 1 3 267.329 -0.244 20 0 CBADHO Cc1nocc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219607816 824853471 /nfs/dbraw/zinc/85/34/71/824853471.db2.gz BWIKGIKTIMDCDX-JTQLQIEISA-N 1 3 250.302 -0.592 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001219638891 824867237 /nfs/dbraw/zinc/86/72/37/824867237.db2.gz RIPOGFZQGXMQEV-JBLDHEPKSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001219638891 824867241 /nfs/dbraw/zinc/86/72/41/824867241.db2.gz RIPOGFZQGXMQEV-JBLDHEPKSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC3(CNC3)O2)C1 ZINC001219642784 824872018 /nfs/dbraw/zinc/87/20/18/824872018.db2.gz XTEAFEGDZMISEY-QJPTWQEYSA-N 1 3 267.373 -0.131 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CNCCN2C)C1 ZINC001219650093 824873656 /nfs/dbraw/zinc/87/36/56/824873656.db2.gz MCPRITZAGNTUQO-QJPTWQEYSA-N 1 3 254.378 -0.748 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CNCCN2C)C1 ZINC001219650094 824873754 /nfs/dbraw/zinc/87/37/54/824873754.db2.gz MCPRITZAGNTUQO-SDDRHHMPSA-N 1 3 254.378 -0.748 20 0 CBADHO CN(C(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC1 ZINC001219692439 824879324 /nfs/dbraw/zinc/87/93/24/824879324.db2.gz AFHJVUCHCXNDMQ-IAQYHMDHSA-N 1 3 294.399 -0.687 20 0 CBADHO CCOC(=O)CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219693045 824882164 /nfs/dbraw/zinc/88/21/64/824882164.db2.gz MMMSXZHHTSNEKI-NSHDSACASA-N 1 3 257.334 -0.617 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777335 824894059 /nfs/dbraw/zinc/89/40/59/824894059.db2.gz GZMGKBSKIBIUDJ-JEOXALJRSA-N 1 3 287.429 -0.269 20 0 CBADHO [NH3+]CCCNCC(=O)N[C@@H]1CNCc2ccsc21 ZINC001219825095 824898941 /nfs/dbraw/zinc/89/89/41/824898941.db2.gz COAIPXZMJKQKOB-SNVBAGLBSA-N 1 3 268.386 -0.053 20 0 CBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)C1CC2(C[NH2+]C2)C1 ZINC001219847985 824901205 /nfs/dbraw/zinc/90/12/05/824901205.db2.gz UNANDZWMXKXNFP-SDDRHHMPSA-N 1 3 265.357 -0.378 20 0 CBADHO CN[C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H](C)OC(C)(C)C ZINC001219853944 824902999 /nfs/dbraw/zinc/90/29/99/824902999.db2.gz AEJJMTACMZIWLT-LBELIVKGSA-N 1 3 299.415 -0.119 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219881202 824907667 /nfs/dbraw/zinc/90/76/67/824907667.db2.gz STGWAZOIMFIPTO-UWVGGRQHSA-N 1 3 259.350 -0.101 20 0 CBADHO N[C@H](C(=O)NCC[NH2+]CCO)C1Cc2ccccc2C1 ZINC001219918632 824914969 /nfs/dbraw/zinc/91/49/69/824914969.db2.gz PBTSRTDAZGSVIE-AWEZNQCLSA-N 1 3 277.368 -0.573 20 0 CBADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CN)c1 ZINC001219943364 824918434 /nfs/dbraw/zinc/91/84/34/824918434.db2.gz FZHMXDZDVUYSTE-LBPRGKRZSA-N 1 3 250.346 -0.350 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001219951761 824919865 /nfs/dbraw/zinc/91/98/65/824919865.db2.gz AIRWMFLDNHBHSR-SNVBAGLBSA-N 1 3 263.345 -0.814 20 0 CBADHO Cc1nonc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219948205 824920561 /nfs/dbraw/zinc/92/05/61/824920561.db2.gz ONFCBSPGRBUGAU-SNVBAGLBSA-N 1 3 279.344 -0.132 20 0 CBADHO Cc1nonc1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219948205 824920569 /nfs/dbraw/zinc/92/05/69/824920569.db2.gz ONFCBSPGRBUGAU-SNVBAGLBSA-N 1 3 279.344 -0.132 20 0 CBADHO Cc1nonc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219948429 824921294 /nfs/dbraw/zinc/92/12/94/824921294.db2.gz VDYVRPNMGWSNDK-SNVBAGLBSA-N 1 3 253.306 -0.679 20 0 CBADHO O=C(NC[C@H]1CCC(=O)N1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219959142 824922276 /nfs/dbraw/zinc/92/22/76/824922276.db2.gz JYZAHDGHNBJTES-GHMZBOCLSA-N 1 3 280.372 -0.745 20 0 CBADHO O=C(NC[C@H]1CCC(=O)N1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219959142 824922281 /nfs/dbraw/zinc/92/22/81/824922281.db2.gz JYZAHDGHNBJTES-GHMZBOCLSA-N 1 3 280.372 -0.745 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc2nonc2c1 ZINC001219962702 824923721 /nfs/dbraw/zinc/92/37/21/824923721.db2.gz GLPYYWYMHQHAEA-VIFPVBQESA-N 1 3 263.301 -0.095 20 0 CBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219968160 824924604 /nfs/dbraw/zinc/92/46/04/824924604.db2.gz XKXNXDBEXIVUCL-QWRGUYRKSA-N 1 3 283.376 -0.668 20 0 CBADHO O=C(NCc1ccc2nonc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219965424 824924831 /nfs/dbraw/zinc/92/48/31/824924831.db2.gz NIGFNRSQZFALNM-JTQLQIEISA-N 1 3 287.323 -0.352 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCn1cccc1 ZINC001219969719 824926425 /nfs/dbraw/zinc/92/64/25/824926425.db2.gz KGRKBRKOZAYAKX-JTQLQIEISA-N 1 3 256.375 -0.377 20 0 CBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219978075 824927261 /nfs/dbraw/zinc/92/72/61/824927261.db2.gz CBXKBHIHSJRLMF-STQMWFEESA-N 1 3 296.415 -0.835 20 0 CBADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219978075 824927265 /nfs/dbraw/zinc/92/72/65/824927265.db2.gz CBXKBHIHSJRLMF-STQMWFEESA-N 1 3 296.415 -0.835 20 0 CBADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219978388 824927843 /nfs/dbraw/zinc/92/78/43/824927843.db2.gz LWLJPAZYLCWWAC-VXGBXAGGSA-N 1 3 299.419 -0.390 20 0 CBADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219978388 824927845 /nfs/dbraw/zinc/92/78/45/824927845.db2.gz LWLJPAZYLCWWAC-VXGBXAGGSA-N 1 3 299.419 -0.390 20 0 CBADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220096858 824952459 /nfs/dbraw/zinc/95/24/59/824952459.db2.gz KEMCAIUUDAJWSX-ZETCQYMHSA-N 1 3 299.343 -0.680 20 0 CBADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220097136 824954526 /nfs/dbraw/zinc/95/45/26/824954526.db2.gz QDWIAFWWZYTADJ-QMMMGPOBSA-N 1 3 281.303 -0.243 20 0 CBADHO O=C(NCc1cncnc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220007118 824932817 /nfs/dbraw/zinc/93/28/17/824932817.db2.gz IAZGLSDIEHWODC-DGCLKSJQSA-N 1 3 261.329 -0.708 20 0 CBADHO O=C(NCc1ccncn1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220005178 824933201 /nfs/dbraw/zinc/93/32/01/824933201.db2.gz SWXHXOYDWISQMS-GFCCVEGCSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NCc1ccncn1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220005178 824933204 /nfs/dbraw/zinc/93/32/04/824933204.db2.gz SWXHXOYDWISQMS-GFCCVEGCSA-N 1 3 275.356 -0.033 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1(CO)CCOCC1 ZINC001220018474 824934807 /nfs/dbraw/zinc/93/48/07/824934807.db2.gz FJGUOFBLJZJJBO-LBPRGKRZSA-N 1 3 287.404 -0.297 20 0 CBADHO O=C(NCc1cccnn1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220018590 824935165 /nfs/dbraw/zinc/93/51/65/824935165.db2.gz JUYPFHVYXRAKJV-LBPRGKRZSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NCc1cccnn1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220018590 824935169 /nfs/dbraw/zinc/93/51/69/824935169.db2.gz JUYPFHVYXRAKJV-LBPRGKRZSA-N 1 3 275.356 -0.033 20 0 CBADHO CC(C)[C@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(N)=O ZINC001220022815 824936262 /nfs/dbraw/zinc/93/62/62/824936262.db2.gz MSNPBDBTTTYVGO-DDTOSNHZSA-N 1 3 282.388 -0.798 20 0 CBADHO O=C(NCc1ccc2n[nH]cc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220024998 824938321 /nfs/dbraw/zinc/93/83/21/824938321.db2.gz GIQVCBRSOWOUDD-GFCCVEGCSA-N 1 3 285.351 -0.012 20 0 CBADHO CCCCOC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220049719 824945513 /nfs/dbraw/zinc/94/55/13/824945513.db2.gz PJCHQGIGJOCOHO-WDEREUQCSA-N 1 3 283.372 -0.357 20 0 CBADHO O=C(NCCc1cc[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062017 824946480 /nfs/dbraw/zinc/94/64/80/824946480.db2.gz JFMSWSKTAHGAEK-GFCCVEGCSA-N 1 3 277.372 -0.057 20 0 CBADHO COCC1(NC(=O)[C@@H](N)CSCC[NH3+])CCC1 ZINC001220064118 824949100 /nfs/dbraw/zinc/94/91/00/824949100.db2.gz ROHKJAIWFMYETM-VIFPVBQESA-N 1 3 261.391 -0.309 20 0 CBADHO C[NH2+]CCCCNC(=O)CN1CCCC[C@H](N)C1=O ZINC001220077555 824950705 /nfs/dbraw/zinc/95/07/05/824950705.db2.gz NWENMGZMWKKAEW-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CCOC(=O)C(F)(F)CNC(=O)[C@H](N)CCC[NH3+] ZINC001220096663 824953876 /nfs/dbraw/zinc/95/38/76/824953876.db2.gz GZCZIKYWMJCHFG-SSDOTTSWSA-N 1 3 267.276 -0.633 20 0 CBADHO CCC(CO)(CO)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220109824 824956310 /nfs/dbraw/zinc/95/63/10/824956310.db2.gz MMQNFGYNYIYYEL-NSHDSACASA-N 1 3 275.393 -0.705 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220141623 824967098 /nfs/dbraw/zinc/96/70/98/824967098.db2.gz ONBYARKEIXVUMU-NSHDSACASA-N 1 3 291.417 -0.616 20 0 CBADHO Cn1cc2cccc(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)c2n1 ZINC001220143416 824967122 /nfs/dbraw/zinc/96/71/22/824967122.db2.gz HEXRDHNIEBOTNJ-ZDUSSCGKSA-N 1 3 299.378 -0.002 20 0 CBADHO O=C(NCc1cc[nH]c(=O)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220147925 824969600 /nfs/dbraw/zinc/96/96/00/824969600.db2.gz LBHHNZYYVOVHFP-SNVBAGLBSA-N 1 3 262.313 -0.788 20 0 CBADHO N=C(NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1nccs1 ZINC001220154534 824970610 /nfs/dbraw/zinc/97/06/10/824970610.db2.gz UJMAGPBBZFFNKU-QMMMGPOBSA-N 1 3 267.358 -0.088 20 0 CBADHO CC(C)N1CC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001220158569 824973541 /nfs/dbraw/zinc/97/35/41/824973541.db2.gz BHJJYTNBMYFWDW-WZRBSPASSA-N 1 3 252.362 -0.583 20 0 CBADHO N=C(NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC001220170252 824976590 /nfs/dbraw/zinc/97/65/90/824976590.db2.gz FGNGYELLZXIBRI-NSHDSACASA-N 1 3 279.319 -0.011 20 0 CBADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(F)cn1 ZINC001220170948 824976770 /nfs/dbraw/zinc/97/67/70/824976770.db2.gz ZLQGZBWBAYJZQS-SECBINFHSA-N 1 3 277.303 -0.529 20 0 CBADHO Cn1ccc(CNC(=O)[C@H](N)CCC[NH3+])cc1=O ZINC001220180045 824979799 /nfs/dbraw/zinc/97/97/99/824979799.db2.gz ZCEFZKRDZYYYCX-SNVBAGLBSA-N 1 3 252.318 -0.932 20 0 CBADHO N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ncc[nH]1 ZINC001220181708 824980390 /nfs/dbraw/zinc/98/03/90/824980390.db2.gz ZFENQVGRVHGXHE-PRHODGIISA-N 1 3 262.317 -0.950 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220187009 824983380 /nfs/dbraw/zinc/98/33/80/824983380.db2.gz XDEQRGMJMPKXQA-RKDXNWHRSA-N 1 3 264.320 -0.586 20 0 CBADHO CC1(C)C[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])O1 ZINC001220200189 824984882 /nfs/dbraw/zinc/98/48/82/824984882.db2.gz CPOCHWBEEZZRRC-BDAKNGLRSA-N 1 3 261.391 -0.311 20 0 CBADHO CC1(C)C[C@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)O1 ZINC001220200583 824986475 /nfs/dbraw/zinc/98/64/75/824986475.db2.gz OIGKTEAEQDJKPZ-NXEZZACHSA-N 1 3 253.346 -0.521 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202912 824986728 /nfs/dbraw/zinc/98/67/28/824986728.db2.gz PIHAVJZKWNHQSB-NEPJUHHUSA-N 1 3 284.404 -0.266 20 0 CBADHO COC1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001220220768 824988747 /nfs/dbraw/zinc/98/87/47/824988747.db2.gz DWXFEYCEAFNSAZ-HTAVTVPLSA-N 1 3 267.373 -0.131 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220252389 824997044 /nfs/dbraw/zinc/99/70/44/824997044.db2.gz YXJVSHBLVXBNLU-LIBAHTEVSA-N 1 3 275.418 -0.317 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220252389 824997049 /nfs/dbraw/zinc/99/70/49/824997049.db2.gz YXJVSHBLVXBNLU-LIBAHTEVSA-N 1 3 275.418 -0.317 20 0 CBADHO O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220260728 824997632 /nfs/dbraw/zinc/99/76/32/824997632.db2.gz FOHMFKUAFHPRQY-GHMZBOCLSA-N 1 3 275.356 -0.808 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220260947 824998416 /nfs/dbraw/zinc/99/84/16/824998416.db2.gz LVCMACXROBTNRG-UWVGGRQHSA-N 1 3 283.401 -0.598 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220260948 824998534 /nfs/dbraw/zinc/99/85/34/824998534.db2.gz LVCMACXROBTNRG-ZJUUUORDSA-N 1 3 283.401 -0.598 20 0 CBADHO N[C@@H](C(=O)N[C@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261238 824999650 /nfs/dbraw/zinc/99/96/50/824999650.db2.gz VMRPPYQFIIAMIX-WCQYABFASA-N 1 3 277.372 -0.290 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCn1nnc2ccccc21 ZINC001220272481 825001870 /nfs/dbraw/zinc/00/18/70/825001870.db2.gz APHNQCFSSVOSSB-SNVBAGLBSA-N 1 3 276.344 -0.386 20 0 CBADHO Cn1cc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cn1 ZINC001220276531 825002920 /nfs/dbraw/zinc/00/29/20/825002920.db2.gz LKJKDTHOAGPXOJ-ZDUSSCGKSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1cc(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001220276531 825002925 /nfs/dbraw/zinc/00/29/25/825002925.db2.gz LKJKDTHOAGPXOJ-ZDUSSCGKSA-N 1 3 291.399 -0.047 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001220277305 825005721 /nfs/dbraw/zinc/00/57/21/825005721.db2.gz VJFPIXXYJGCHRA-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H](C[NH3+])C(=O)NCc1ncn2c1CNCCC2 ZINC001220312773 825011348 /nfs/dbraw/zinc/01/13/48/825011348.db2.gz GDQUZCNBFYNNLG-VIFPVBQESA-N 1 3 251.334 -0.413 20 0 CBADHO O=C(NCc1ncn2c1CNCCC2)C1CC2(C[NH2+]C2)C1 ZINC001220310475 825011802 /nfs/dbraw/zinc/01/18/02/825011802.db2.gz AUMRYILREVDEPL-UHFFFAOYSA-N 1 3 289.383 -0.008 20 0 CBADHO C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308561 825011814 /nfs/dbraw/zinc/01/18/14/825011814.db2.gz LZYMBHOYLWKMCU-BXKDBHETSA-N 1 3 265.361 -0.076 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316892 825013833 /nfs/dbraw/zinc/01/38/33/825013833.db2.gz UMJBYDSKNMAEMN-OBJOEFQTSA-N 1 3 293.371 -0.693 20 0 CBADHO COC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220373617 825022845 /nfs/dbraw/zinc/02/28/45/825022845.db2.gz UVWRRAZQJVJKOL-ZETCQYMHSA-N 1 3 269.305 -0.409 20 0 CBADHO C[NH+](C)CCC(C)(C)NC(=O)[C@H](N)CCCNC(N)=O ZINC001220386509 825027411 /nfs/dbraw/zinc/02/74/11/825027411.db2.gz XGDMOGPGYOULPQ-SNVBAGLBSA-N 1 3 287.408 -0.391 20 0 CBADHO C[NH+](C)CCC(C)(C)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220386280 825027478 /nfs/dbraw/zinc/02/74/78/825027478.db2.gz NOBCMBGODWSXII-LLVKDONJSA-N 1 3 284.404 -0.837 20 0 CBADHO COc1ccc(CCNC(=O)[C@@H](N)CCC[NH3+])nc1 ZINC001220396400 825028988 /nfs/dbraw/zinc/02/89/88/825028988.db2.gz ADDKIEFCBFZASG-LBPRGKRZSA-N 1 3 266.345 -0.185 20 0 CBADHO COc1ccc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1 ZINC001220396924 825030113 /nfs/dbraw/zinc/03/01/13/825030113.db2.gz QQTOXIAYAMIGJU-ZDUSSCGKSA-N 1 3 290.367 -0.442 20 0 CBADHO COc1ccc(CCNC(=O)[C@@H](N)CSCC[NH3+])nc1 ZINC001220396967 825030690 /nfs/dbraw/zinc/03/06/90/825030690.db2.gz SQEXCUHUVBVAOH-LBPRGKRZSA-N 1 3 298.412 -0.232 20 0 CBADHO CNOCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220402998 825030787 /nfs/dbraw/zinc/03/07/87/825030787.db2.gz GSVZTXHKUJACMY-JTQLQIEISA-N 1 3 256.350 -0.872 20 0 CBADHO CNOCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220402998 825030790 /nfs/dbraw/zinc/03/07/90/825030790.db2.gz GSVZTXHKUJACMY-JTQLQIEISA-N 1 3 256.350 -0.872 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001220405725 825031734 /nfs/dbraw/zinc/03/17/34/825031734.db2.gz CKGUWCTYHORSLS-IJLUTSLNSA-N 1 3 283.372 -0.229 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001220406578 825032915 /nfs/dbraw/zinc/03/29/15/825032915.db2.gz TVQSJFZXKCIDTF-OUAUKWLOSA-N 1 3 281.356 -0.747 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220406146 825033147 /nfs/dbraw/zinc/03/31/47/825033147.db2.gz LCRBCDSPIVCIMR-RTWAVKEYSA-N 1 3 295.383 -0.357 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001220406577 825033369 /nfs/dbraw/zinc/03/33/69/825033369.db2.gz TVQSJFZXKCIDTF-MXWKQRLJSA-N 1 3 281.356 -0.747 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220406144 825033575 /nfs/dbraw/zinc/03/35/75/825033575.db2.gz LCRBCDSPIVCIMR-MCYUEQNJSA-N 1 3 295.383 -0.357 20 0 CBADHO O=C(NC1CCN(CCF)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220435356 825039203 /nfs/dbraw/zinc/03/92/03/825039203.db2.gz HFXMJNUJUPLDFE-LBPRGKRZSA-N 1 3 284.379 -0.655 20 0 CBADHO N[C@H](C[NH3+])c1ccc(C(=O)NC[C@@H]2COCCN2)cc1 ZINC001220431588 825039834 /nfs/dbraw/zinc/03/98/34/825039834.db2.gz KKWXIHNTPVWRNA-CHWSQXEVSA-N 1 3 278.356 -0.637 20 0 CBADHO N[C@H](C[NH3+])c1ccc(C(=O)NC[C@H]2COCCN2)cc1 ZINC001220431590 825039907 /nfs/dbraw/zinc/03/99/07/825039907.db2.gz KKWXIHNTPVWRNA-QWHCGFSZSA-N 1 3 278.356 -0.637 20 0 CBADHO O=C(N[C@@H](CO)C(F)(F)F)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220447704 825040894 /nfs/dbraw/zinc/04/08/94/825040894.db2.gz OCISRYAZKUHCIC-BDAKNGLRSA-N 1 3 295.305 -0.100 20 0 CBADHO O=C(N[C@@H](CO)C(F)(F)F)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220447704 825040902 /nfs/dbraw/zinc/04/09/02/825040902.db2.gz OCISRYAZKUHCIC-BDAKNGLRSA-N 1 3 295.305 -0.100 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H](CO)C(F)(F)F ZINC001220447188 825040914 /nfs/dbraw/zinc/04/09/14/825040914.db2.gz DAUODPUBUXWZCV-NKWVEPMBSA-N 1 3 257.256 -0.518 20 0 CBADHO O=C(N[C@H](CO)C(F)(F)F)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220447705 825041134 /nfs/dbraw/zinc/04/11/34/825041134.db2.gz OCISRYAZKUHCIC-DTWKUNHWSA-N 1 3 295.305 -0.100 20 0 CBADHO O=C(N[C@H](CO)C(F)(F)F)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220447705 825041139 /nfs/dbraw/zinc/04/11/39/825041139.db2.gz OCISRYAZKUHCIC-DTWKUNHWSA-N 1 3 295.305 -0.100 20 0 CBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2(N)CC2)O1 ZINC001220481557 825048736 /nfs/dbraw/zinc/04/87/36/825048736.db2.gz KJYUOWMOKMRIFT-OPRDCNLKSA-N 1 3 257.334 -0.681 20 0 CBADHO Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220492651 825049534 /nfs/dbraw/zinc/04/95/34/825049534.db2.gz PFONUPQRLSBCBT-NSHDSACASA-N 1 3 281.360 -0.591 20 0 CBADHO Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220492802 825050646 /nfs/dbraw/zinc/05/06/46/825050646.db2.gz RZZQXOKNWZDQOE-SECBINFHSA-N 1 3 255.322 -0.851 20 0 CBADHO O=C(NCc1nccc(Cl)n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220529620 825057708 /nfs/dbraw/zinc/05/77/08/825057708.db2.gz GTGZSSAECZAJID-NOZJJQNGSA-N 1 3 295.774 -0.055 20 0 CBADHO O=C(NCOc1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220563592 825062811 /nfs/dbraw/zinc/06/28/11/825062811.db2.gz ZACIBJAZUYCOBV-GFCCVEGCSA-N 1 3 261.325 -0.052 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)CC1CCC1 ZINC001220583568 825071329 /nfs/dbraw/zinc/07/13/29/825071329.db2.gz OKRNYPRYTQGWGS-NSHDSACASA-N 1 3 271.361 -0.146 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(F)(F)F ZINC001220587698 825072166 /nfs/dbraw/zinc/07/21/66/825072166.db2.gz HVOXUSIUHVPSJI-BQBZGAKWSA-N 1 3 285.266 -0.337 20 0 CBADHO C[C@@](CO)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220710996 825092474 /nfs/dbraw/zinc/09/24/74/825092474.db2.gz HXAHNUKAEZSIBR-ZFWWWQNUSA-N 1 3 289.379 -0.181 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220756499 825097040 /nfs/dbraw/zinc/09/70/40/825097040.db2.gz FGWHNWGFYRPCKN-AAEUAGOBSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220756499 825097046 /nfs/dbraw/zinc/09/70/46/825097046.db2.gz FGWHNWGFYRPCKN-AAEUAGOBSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764316 825099347 /nfs/dbraw/zinc/09/93/47/825099347.db2.gz GSVHSWWNCIFTAF-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764330 825099392 /nfs/dbraw/zinc/09/93/92/825099392.db2.gz HHBUPXGMNMKCEW-NEPJUHHUSA-N 1 3 273.377 -0.866 20 0 CBADHO NC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788994 825102498 /nfs/dbraw/zinc/10/24/98/825102498.db2.gz IAUOBLUFVLUBCF-SRVKXCTJSA-N 1 3 263.345 -0.866 20 0 CBADHO CCOC(=O)C1=C(NC(=O)CN(CC)CC)C[NH2+]C1 ZINC001220826839 825107004 /nfs/dbraw/zinc/10/70/04/825107004.db2.gz ASZVZKXMJZKHGR-UHFFFAOYSA-N 1 3 269.345 -0.135 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857886 825114140 /nfs/dbraw/zinc/11/41/40/825114140.db2.gz WNRPBLPQXQLCLD-QWRGUYRKSA-N 1 3 267.377 -0.221 20 0 CBADHO [NH3+]Cc1ccccc1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220855086 825114265 /nfs/dbraw/zinc/11/42/65/825114265.db2.gz LINBZMZXTRAXGZ-CYBMUJFWSA-N 1 3 290.367 -0.908 20 0 CBADHO O=C(NCCO[C@@H]1CCCCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001220862243 825115227 /nfs/dbraw/zinc/11/52/27/825115227.db2.gz UPULZBXAPMZPLN-VXGBXAGGSA-N 1 3 283.372 -0.545 20 0 CBADHO COC[C@H](NC(=O)[C@H](N)CCC[NH3+])[C@@H](O)c1ccccc1 ZINC001220865804 825115347 /nfs/dbraw/zinc/11/53/47/825115347.db2.gz LFZSHTPGNLXWDR-RDBSUJKOSA-N 1 3 295.383 -0.083 20 0 CBADHO O=C(NCCO[C@H]1CCCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220862242 825115894 /nfs/dbraw/zinc/11/58/94/825115894.db2.gz UPULZBXAPMZPLN-RYUDHWBXSA-N 1 3 283.372 -0.545 20 0 CBADHO CCC[C@@H](CCO)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220870236 825116557 /nfs/dbraw/zinc/11/65/57/825116557.db2.gz JVQVYVKXQRTABY-RYUDHWBXSA-N 1 3 257.378 -0.019 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220881190 825118293 /nfs/dbraw/zinc/11/82/93/825118293.db2.gz FIHGKLBXVFZWKF-MXWKQRLJSA-N 1 3 269.345 -0.761 20 0 CBADHO COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220881444 825118577 /nfs/dbraw/zinc/11/85/77/825118577.db2.gz KMSCZJOTOHIZEW-UTLUCORTSA-N 1 3 257.334 -0.632 20 0 CBADHO N[C@H](C(=O)NC1(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001220934033 825126190 /nfs/dbraw/zinc/12/61/90/825126190.db2.gz GWGQDFKLAJHDGR-NSHDSACASA-N 1 3 275.356 -0.091 20 0 CBADHO NC[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221004925 825134181 /nfs/dbraw/zinc/13/41/81/825134181.db2.gz SUDWHKZVXPTCOD-IHRRRGAJSA-N 1 3 291.399 -0.034 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001221010685 825135952 /nfs/dbraw/zinc/13/59/52/825135952.db2.gz ODYXBXAIUZCTBU-YUSALJHKSA-N 1 3 255.362 -0.003 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCCc1nncs1 ZINC001221012928 825137745 /nfs/dbraw/zinc/13/77/45/825137745.db2.gz FMYAQEOKDKBTIK-QMMMGPOBSA-N 1 3 257.363 -0.347 20 0 CBADHO COC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC1 ZINC001221013080 825137754 /nfs/dbraw/zinc/13/77/54/825137754.db2.gz JJVKXZKQUFBOEF-YRGRVCCFSA-N 1 3 267.373 -0.273 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@@H](N)CCC[NH3+])[nH]1 ZINC001221079522 825141964 /nfs/dbraw/zinc/14/19/64/825141964.db2.gz DBAVGILIAXGLMP-VIFPVBQESA-N 1 3 268.317 -0.516 20 0 CBADHO Cc1nccnc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221104193 825142817 /nfs/dbraw/zinc/14/28/17/825142817.db2.gz YWUIHEIPUCCMQO-BXUZGUMPSA-N 1 3 275.356 -0.400 20 0 CBADHO N[C@@H](C(=O)NCc1ccnn1CCF)C1CC[NH2+]CC1 ZINC001221107585 825144864 /nfs/dbraw/zinc/14/48/64/825144864.db2.gz FWRMHTCHIFCHGS-GFCCVEGCSA-N 1 3 283.351 -0.204 20 0 CBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC001221188154 825151581 /nfs/dbraw/zinc/15/15/81/825151581.db2.gz PSOADRBQOHHVSG-NTSWFWBYSA-N 1 3 271.239 -0.727 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221192526 825153153 /nfs/dbraw/zinc/15/31/53/825153153.db2.gz VPFPNKZDBYURHL-ZDUSSCGKSA-N 1 3 297.424 -0.143 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221193894 825153553 /nfs/dbraw/zinc/15/35/53/825153553.db2.gz HKUGVDMWICKXQD-QMMMGPOBSA-N 1 3 262.317 -0.360 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221241123 825158213 /nfs/dbraw/zinc/15/82/13/825158213.db2.gz OMRCXGRKAHFPMY-FMSGJZPZSA-N 1 3 266.389 -0.463 20 0 CBADHO CN1CCC[C@](C)(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221240846 825158968 /nfs/dbraw/zinc/15/89/68/825158968.db2.gz FPVUTXVIZSXDBL-LBPRGKRZSA-N 1 3 254.378 -0.332 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@H](N)CCC[NH3+])OCC ZINC001221262848 825164465 /nfs/dbraw/zinc/16/44/65/825164465.db2.gz REXKMTAXWUMVPN-URLRMUCDSA-N 1 3 273.333 -0.390 20 0 CBADHO N[C@@H](C(=O)N[C@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268833 825164915 /nfs/dbraw/zinc/16/49/15/825164915.db2.gz DWVJMHYCLZYVBH-CMPLNLGQSA-N 1 3 268.361 -0.902 20 0 CBADHO N[C@@H](C(=O)NCC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC001221278017 825165715 /nfs/dbraw/zinc/16/57/15/825165715.db2.gz FHPBGAFYHUWIRJ-SECBINFHSA-N 1 3 296.293 -0.892 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269519 825165947 /nfs/dbraw/zinc/16/59/47/825165947.db2.gz PFXBLASKVBGLBK-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001221356763 825176158 /nfs/dbraw/zinc/17/61/58/825176158.db2.gz DCCHRCCLBGRRHM-FRRDWIJNSA-N 1 3 298.431 -0.461 20 0 CBADHO C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccno1 ZINC001221397613 825180912 /nfs/dbraw/zinc/18/09/12/825180912.db2.gz OYHRZAHDWFJYJD-RKDXNWHRSA-N 1 3 250.302 -0.339 20 0 CBADHO N[C@@H](C(=O)NCCOc1ccncc1)C1CC[NH2+]CC1 ZINC001221393431 825181407 /nfs/dbraw/zinc/18/14/07/825181407.db2.gz DHMCLIGXAHCJNA-CYBMUJFWSA-N 1 3 278.356 -0.097 20 0 CBADHO CC(C)N(C(=O)[C@@H]1COC2(CNC2)CN1)C(C)(C)C[NH3+] ZINC001221393993 825181568 /nfs/dbraw/zinc/18/15/68/825181568.db2.gz FWMSDOIWZVDETA-NSHDSACASA-N 1 3 284.404 -0.709 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC1 ZINC001221402588 825182763 /nfs/dbraw/zinc/18/27/63/825182763.db2.gz JAPUNLZSUFZTSF-BPCQOVAHSA-N 1 3 299.415 -0.562 20 0 CBADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950687 825196781 /nfs/dbraw/zinc/19/67/81/825196781.db2.gz SXXRPHYGMAOGFP-MGPQQGTHSA-N 1 3 299.415 -0.522 20 0 CBADHO C([C@H]1CNCCO1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492513 825211666 /nfs/dbraw/zinc/21/16/66/825211666.db2.gz ZANBROPZWWBHQR-AGIUHOORSA-N 1 3 254.378 -0.999 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1 ZINC001228239394 825312928 /nfs/dbraw/zinc/31/29/28/825312928.db2.gz RUBINLNFBGWVTL-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001230366837 825346071 /nfs/dbraw/zinc/34/60/71/825346071.db2.gz KJJDDVTZWYKAPQ-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001230284823 825346216 /nfs/dbraw/zinc/34/62/16/825346216.db2.gz WLAWZRKVTVHVHH-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CN1CC2(C1)CC[NH+](Cc1cn(C)c(=O)n(C)c1=O)CC2 ZINC001231773843 825417135 /nfs/dbraw/zinc/41/71/35/825417135.db2.gz MFPOQDDHDKZVRM-UHFFFAOYSA-N 1 3 292.383 -0.388 20 0 CBADHO c1cc2n(c1CN1CCNC[C@@]13CC[NH2+]C3)CCNC2 ZINC001234990211 825480473 /nfs/dbraw/zinc/48/04/73/825480473.db2.gz UZYXOZNKLMNNGC-HNNXBMFYSA-N 1 3 275.400 -0.271 20 0 CBADHO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](CCN)CC2 ZINC001235484099 825498504 /nfs/dbraw/zinc/49/85/04/825498504.db2.gz OHPZRSLTMAWBKH-NSHDSACASA-N 1 3 271.361 -0.669 20 0 CBADHO NCCS(=O)(=O)Nc1cccnc1N1CCC([NH3+])CC1 ZINC001237529936 825536993 /nfs/dbraw/zinc/53/69/93/825536993.db2.gz KHZYLJDUHMDCOH-UHFFFAOYSA-N 1 3 299.400 -0.291 20 0 CBADHO NCCS(=O)(=O)Nc1cccc(N2CC([NH3+])C2)c1 ZINC001237812214 825543811 /nfs/dbraw/zinc/54/38/11/825543811.db2.gz GOKWCLDDLSUHHB-UHFFFAOYSA-N 1 3 270.358 -0.466 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@@H]1CC[NH2+]C[C@@H]1F ZINC001238049050 825545050 /nfs/dbraw/zinc/54/50/50/825545050.db2.gz CUTHIISXLOTRJT-WDEREUQCSA-N 1 3 279.381 -0.395 20 0 CBADHO CN(C)S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238231209 825549017 /nfs/dbraw/zinc/54/90/17/825549017.db2.gz WUFPCFOEXYZNDF-SNVBAGLBSA-N 1 3 276.406 -0.743 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@@H]1CCOC12C[NH2+]C2 ZINC001238228496 825549632 /nfs/dbraw/zinc/54/96/32/825549632.db2.gz NDORNUINKZDIRJ-LLVKDONJSA-N 1 3 289.401 -0.964 20 0 CBADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc(N)cc1 ZINC001238878707 825568423 /nfs/dbraw/zinc/56/84/23/825568423.db2.gz KBNPNAQLVRLIND-UHFFFAOYSA-N 1 3 286.401 -0.124 20 0 CBADHO NCCS(=O)(=O)N1CCCCC12CC[NH2+]CC2 ZINC001239043744 825584082 /nfs/dbraw/zinc/58/40/82/825584082.db2.gz GMBFVCOVZDSSDY-UHFFFAOYSA-N 1 3 261.391 -0.117 20 0 CBADHO N[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1F ZINC001239096500 825586797 /nfs/dbraw/zinc/58/67/97/825586797.db2.gz BIIINVKVXMSRHF-VHSXEESVSA-N 1 3 265.354 -0.703 20 0 CBADHO NCCS(=O)(=O)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001239175952 825596728 /nfs/dbraw/zinc/59/67/28/825596728.db2.gz YGZQVKBGTJYTJJ-LLVKDONJSA-N 1 3 261.391 -0.119 20 0 CBADHO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245973833 825616888 /nfs/dbraw/zinc/61/68/88/825616888.db2.gz KYPOYBDQXUIFRF-OUJBWJOFSA-N 1 3 292.351 -0.659 20 0 CBADHO O[C@@H](CNC[C@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983059 825617723 /nfs/dbraw/zinc/61/77/23/825617723.db2.gz RQCJGRMTJDBQBQ-STQMWFEESA-N 1 3 257.378 -0.731 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@@H](O)CN1CCOCC1 ZINC001245984544 825618046 /nfs/dbraw/zinc/61/80/46/825618046.db2.gz QRPZRYPMGAZMKQ-MGPQQGTHSA-N 1 3 271.405 -0.485 20 0 CBADHO CC(C)OC[C@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246027928 825626423 /nfs/dbraw/zinc/62/64/23/825626423.db2.gz YXQPSVPBMUQPTM-OLZOCXBDSA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246027928 825626427 /nfs/dbraw/zinc/62/64/27/825626427.db2.gz YXQPSVPBMUQPTM-OLZOCXBDSA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246027928 825626433 /nfs/dbraw/zinc/62/64/33/825626433.db2.gz YXQPSVPBMUQPTM-OLZOCXBDSA-N 1 3 260.378 -0.052 20 0 CBADHO CCCOC[C@@H](O)C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246027877 825626696 /nfs/dbraw/zinc/62/66/96/825626696.db2.gz YPHNIOSPBPOEIH-SWLSCSKDSA-N 1 3 297.399 -0.815 20 0 CBADHO CCCOC[C@@H](O)C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246027877 825626697 /nfs/dbraw/zinc/62/66/97/825626697.db2.gz YPHNIOSPBPOEIH-SWLSCSKDSA-N 1 3 297.399 -0.815 20 0 CBADHO CC(=O)N1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086030 825633271 /nfs/dbraw/zinc/63/32/71/825633271.db2.gz YSZONCSJBISJGD-RWMBFGLXSA-N 1 3 273.352 -0.351 20 0 CBADHO c1c(CN[C@H]2CCNC3(C[NH2+]C3)C2)nc2ncccn12 ZINC001246079466 825633669 /nfs/dbraw/zinc/63/36/69/825633669.db2.gz ZGZOHAWGUDHIOT-NSHDSACASA-N 1 3 272.356 -0.087 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)CCN1 ZINC001246093540 825635226 /nfs/dbraw/zinc/63/52/26/825635226.db2.gz JESFQUAJXZYYSE-WDEREUQCSA-N 1 3 255.362 -0.001 20 0 CBADHO O=S1(=O)CC[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001246125974 825637302 /nfs/dbraw/zinc/63/73/02/825637302.db2.gz KYPVGPAVLGTRDU-RYUDHWBXSA-N 1 3 287.429 -0.363 20 0 CBADHO O=S1(=O)CC[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001246125977 825638057 /nfs/dbraw/zinc/63/80/57/825638057.db2.gz KYPVGPAVLGTRDU-VXGBXAGGSA-N 1 3 287.429 -0.363 20 0 CBADHO O=S1(=O)CC[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001246125972 825638240 /nfs/dbraw/zinc/63/82/40/825638240.db2.gz KYPVGPAVLGTRDU-NWDGAFQWSA-N 1 3 287.429 -0.363 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145316 825641530 /nfs/dbraw/zinc/64/15/30/825641530.db2.gz MEDWIQIJWSWXFW-XQQFMLRXSA-N 1 3 296.415 -0.646 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166435 825644901 /nfs/dbraw/zinc/64/49/01/825644901.db2.gz AEXKASPZAFKHQA-TUAOUCFPSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)CC2)CN1 ZINC001246182808 825647169 /nfs/dbraw/zinc/64/71/69/825647169.db2.gz AAEABULWUNIFQB-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C)C2)CN1 ZINC001246183985 825647265 /nfs/dbraw/zinc/64/72/65/825647265.db2.gz YDEZPKHIRCLZLA-WOPDTQHZSA-N 1 3 255.362 -0.179 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246216470 825651874 /nfs/dbraw/zinc/65/18/74/825651874.db2.gz APRCPVXOIHCBKZ-FZMZJTMJSA-N 1 3 296.415 -0.694 20 0 CBADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254450 825657178 /nfs/dbraw/zinc/65/71/78/825657178.db2.gz HNBRPWHRODUEHD-OLZOCXBDSA-N 1 3 268.405 -0.119 20 0 CBADHO CC(=O)N[C@@H](CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1)C(N)=O ZINC001246269120 825657825 /nfs/dbraw/zinc/65/78/25/825657825.db2.gz KXXUUCUFFQZLAB-RTXFEEFZSA-N 1 3 284.404 -0.123 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCN[C@@H](C)C1)C(N)=O ZINC001246266525 825657839 /nfs/dbraw/zinc/65/78/39/825657839.db2.gz CKFLADPIKPNCHF-DRZSPHRISA-N 1 3 284.404 -0.123 20 0 CBADHO O=S1(=O)CCN(CCC[NH2+]C2CCNCC2)CC1 ZINC001246337937 825667028 /nfs/dbraw/zinc/66/70/28/825667028.db2.gz YDUYZPJRWFASPZ-UHFFFAOYSA-N 1 3 275.418 -0.552 20 0 CBADHO O=S1(=O)CCN(CCCNC2CC[NH2+]CC2)CC1 ZINC001246337937 825667033 /nfs/dbraw/zinc/66/70/33/825667033.db2.gz YDUYZPJRWFASPZ-UHFFFAOYSA-N 1 3 275.418 -0.552 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)CN1 ZINC001246479378 825676166 /nfs/dbraw/zinc/67/61/66/825676166.db2.gz UMCPHPRNQZVYIH-KBPBESRZSA-N 1 3 298.431 -0.364 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CN1 ZINC001246477702 825676331 /nfs/dbraw/zinc/67/63/31/825676331.db2.gz JJAILZOMGFRMNU-OLZOCXBDSA-N 1 3 284.404 -0.754 20 0 CBADHO CC[C@@H](N[C@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519623 825680452 /nfs/dbraw/zinc/68/04/52/825680452.db2.gz SWUIWFPGVLYJAS-TUAOUCFPSA-N 1 3 255.362 -0.132 20 0 CBADHO CCOC(=O)c1cn([C@@H]2CCNC3(C[NH2+]C3)C2)nc1CN ZINC001246534313 825681331 /nfs/dbraw/zinc/68/13/31/825681331.db2.gz XHGBLZLGFGBOJO-SNVBAGLBSA-N 1 3 293.371 -0.215 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246546986 825683148 /nfs/dbraw/zinc/68/31/48/825683148.db2.gz BPSKRAGGZBKEGZ-MBNYWOFBSA-N 1 3 285.388 -0.544 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579334 825688876 /nfs/dbraw/zinc/68/88/76/825688876.db2.gz ILHKFOFJUJUYTE-WHOHXGKFSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579334 825688880 /nfs/dbraw/zinc/68/88/80/825688880.db2.gz ILHKFOFJUJUYTE-WHOHXGKFSA-N 1 3 253.346 -0.609 20 0 CBADHO COC(=O)[C@H]1CCC[C@@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579627 825690475 /nfs/dbraw/zinc/69/04/75/825690475.db2.gz FXGPQPKVVPCEOM-YFKTTZPYSA-N 1 3 256.346 -0.030 20 0 CBADHO CCOC(=O)[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246590794 825692911 /nfs/dbraw/zinc/69/29/11/825692911.db2.gz AGMRMPVFEJKYDV-NWDGAFQWSA-N 1 3 295.383 -0.466 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246600684 825694041 /nfs/dbraw/zinc/69/40/41/825694041.db2.gz RJMDHZRTZONOAK-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1CC[C@@H](N2CCOC[C@]3(CNCCO3)C2)C[NH2+]1 ZINC001246599335 825694121 /nfs/dbraw/zinc/69/41/21/825694121.db2.gz CHTSCUAAMKNDNY-MCIONIFRSA-N 1 3 269.389 -0.182 20 0 CBADHO O=C1C[C@@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246619451 825695036 /nfs/dbraw/zinc/69/50/36/825695036.db2.gz RJRWCAVMQFOUNJ-SRVKXCTJSA-N 1 3 252.362 -0.709 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CN1 ZINC001246658570 825703320 /nfs/dbraw/zinc/70/33/20/825703320.db2.gz KZSSXSAOIDUTRH-OSUNSFLBSA-N 1 3 253.346 -0.299 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246680250 825706181 /nfs/dbraw/zinc/70/61/81/825706181.db2.gz SQLGFHXCZYPIIZ-USWWRNFRSA-N 1 3 253.346 -0.569 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CN1 ZINC001246701837 825707916 /nfs/dbraw/zinc/70/79/16/825707916.db2.gz NMVUQWZSKGIRKE-VOAKCMCISA-N 1 3 267.373 -0.227 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CN1 ZINC001246701837 825707924 /nfs/dbraw/zinc/70/79/24/825707924.db2.gz NMVUQWZSKGIRKE-VOAKCMCISA-N 1 3 267.373 -0.227 20 0 CBADHO COCCN1C[C@@H]2CN([C@H]3CCC[NH2+]C3)C[C@@H]2C1=O ZINC001246755299 825709526 /nfs/dbraw/zinc/70/95/26/825709526.db2.gz KKJBETVKCBEXJJ-AGIUHOORSA-N 1 3 267.373 -0.225 20 0 CBADHO F[C@H]1CCN(C2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246825088 825718028 /nfs/dbraw/zinc/71/80/28/825718028.db2.gz UBOLOGSZBWKGOY-NWDGAFQWSA-N 1 3 268.380 -0.192 20 0 CBADHO FCCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246828823 825718942 /nfs/dbraw/zinc/71/89/42/825718942.db2.gz DJFCPAZRJVCENI-GFCCVEGCSA-N 1 3 256.369 -0.333 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246977767 825737278 /nfs/dbraw/zinc/73/72/78/825737278.db2.gz QUXSWNLSRQEWPJ-RDBSUJKOSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246977763 825737401 /nfs/dbraw/zinc/73/74/01/825737401.db2.gz QUXSWNLSRQEWPJ-MCIONIFRSA-N 1 3 296.415 -0.613 20 0 CBADHO CCOC[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252043773 825814088 /nfs/dbraw/zinc/81/40/88/825814088.db2.gz JRGFUODRZPUKBI-AWEZNQCLSA-N 1 3 273.421 -0.001 20 0 CBADHO OC[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252074737 825831063 /nfs/dbraw/zinc/83/10/63/825831063.db2.gz MZJDUQKEBQVWNK-AVGNSLFASA-N 1 3 258.362 -0.427 20 0 CBADHO CC(C)OC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252692848 825883878 /nfs/dbraw/zinc/88/38/78/825883878.db2.gz HVYCHILKWMCVLM-AWEZNQCLSA-N 1 3 273.421 -0.001 20 0 CBADHO C[NH+](C)CCN1CCN(CC2(O)CCOCC2)CC1 ZINC001252955399 825895777 /nfs/dbraw/zinc/89/57/77/825895777.db2.gz QKIXPUSLLBOXHV-UHFFFAOYSA-N 1 3 271.405 -0.293 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCCC(=O)NC1 ZINC001253208233 825905394 /nfs/dbraw/zinc/90/53/94/825905394.db2.gz OTHPDRVFVAQVOB-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@@H]1CCC(=O)N1C ZINC001253209127 825906057 /nfs/dbraw/zinc/90/60/57/825906057.db2.gz XXSGFEQWKFMJQT-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@H]1CCNC(=O)C1 ZINC001253384952 825911453 /nfs/dbraw/zinc/91/14/53/825911453.db2.gz NNUUGGAUSVOMLM-QWRGUYRKSA-N 1 3 257.378 -0.149 20 0 CBADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)C1 ZINC001253384952 825911460 /nfs/dbraw/zinc/91/14/60/825911460.db2.gz NNUUGGAUSVOMLM-QWRGUYRKSA-N 1 3 257.378 -0.149 20 0 CBADHO NCCC[NH2+]CCCCn1cc(CN2CCOCC2)nn1 ZINC001254163747 825946531 /nfs/dbraw/zinc/94/65/31/825946531.db2.gz XHRHYRMXNHTYJF-UHFFFAOYSA-N 1 3 296.419 -0.171 20 0 CBADHO COC(=O)Cc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254163258 825946611 /nfs/dbraw/zinc/94/66/11/825946611.db2.gz PPVSDEKQBKVRCE-UHFFFAOYSA-N 1 3 269.349 -0.288 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])[C@@H]1CC2CCN(CC2)C1 ZINC001254833291 825969752 /nfs/dbraw/zinc/96/97/52/825969752.db2.gz XITRSAVXXSFDTF-LLVKDONJSA-N 1 3 261.391 -0.309 20 0 CBADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)C(=O)NCC(N)=O ZINC001255672702 825992171 /nfs/dbraw/zinc/99/21/71/825992171.db2.gz PELDXUSOJDJDQA-YEJSDXFRSA-N 1 3 282.388 -0.419 20 0 CBADHO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)CCN ZINC001255943792 825996381 /nfs/dbraw/zinc/99/63/81/825996381.db2.gz PURMGDHUABLGQI-JTQLQIEISA-N 1 3 251.396 -0.015 20 0 CBADHO NC(=O)[C@H](CO)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001256850595 826034660 /nfs/dbraw/zinc/03/46/60/826034660.db2.gz DXQZVBZACHTTOQ-LBPRGKRZSA-N 1 3 264.329 -0.514 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001257925013 826053112 /nfs/dbraw/zinc/05/31/12/826053112.db2.gz GEEOOPRFEOWGCH-QWRGUYRKSA-N 1 3 294.417 -0.073 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@@H](C)C[NH3+] ZINC001257925013 826053122 /nfs/dbraw/zinc/05/31/22/826053122.db2.gz GEEOOPRFEOWGCH-QWRGUYRKSA-N 1 3 294.417 -0.073 20 0 CBADHO CC(C)CN1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001258002804 826054644 /nfs/dbraw/zinc/05/46/44/826054644.db2.gz FOGXKISDEHINHW-NGFQHRJXSA-N 1 3 286.416 -0.201 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001261502398 826528092 /nfs/dbraw/zinc/52/80/92/826528092.db2.gz LAZGEKPGHYUART-ITGUQSILSA-N 1 3 266.389 -0.795 20 0 CBADHO CNC(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261515619 826531014 /nfs/dbraw/zinc/53/10/14/826531014.db2.gz NTTPXWFWIAVBON-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO OC[C@H]1[C@@H]2CN(C/C=C\C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001261637271 826551288 /nfs/dbraw/zinc/55/12/88/826551288.db2.gz MUBJCWIWJFJXID-XMTUVDPLSA-N 1 3 278.396 -0.117 20 0 CBADHO OC[C@H]1[C@@H]2CN(C/C=C\C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001261637271 826551291 /nfs/dbraw/zinc/55/12/91/826551291.db2.gz MUBJCWIWJFJXID-XMTUVDPLSA-N 1 3 278.396 -0.117 20 0 CBADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1COCCN1C ZINC001261836497 826594682 /nfs/dbraw/zinc/59/46/82/826594682.db2.gz DQIPFXJZPORULZ-QNWHQSFQSA-N 1 3 257.378 -0.341 20 0 CBADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1COCCN1C ZINC001261836499 826594694 /nfs/dbraw/zinc/59/46/94/826594694.db2.gz DQIPFXJZPORULZ-ZDEQEGDKSA-N 1 3 257.378 -0.341 20 0 CBADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCCN1 ZINC001261836720 826595016 /nfs/dbraw/zinc/59/50/16/826595016.db2.gz JVAHOQCDSYBCCZ-ZOBORPQBSA-N 1 3 269.389 -0.279 20 0 CBADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCCN1 ZINC001261836718 826595239 /nfs/dbraw/zinc/59/52/39/826595239.db2.gz JVAHOQCDSYBCCZ-XDQVBPFNSA-N 1 3 269.389 -0.279 20 0 CBADHO COCC[C@H](N)C(=O)N(CC[NH3+])CC(F)(F)F ZINC001262038921 826627486 /nfs/dbraw/zinc/62/74/86/826627486.db2.gz CRSMSXCJLUIMPT-ZETCQYMHSA-N 1 3 257.256 -0.300 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262066820 826629813 /nfs/dbraw/zinc/62/98/13/826629813.db2.gz LMIVIPXLXWZHFA-JHJVBQTASA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC001262071058 826631756 /nfs/dbraw/zinc/63/17/56/826631756.db2.gz QHYGZRIKPWZKEK-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CCO[C@@H](CCN(C)C)C[NH2+]CCS(C)(=O)=O ZINC001262570232 826711369 /nfs/dbraw/zinc/71/13/69/826711369.db2.gz QTQWXVYCUXFPHW-NSHDSACASA-N 1 3 266.407 -0.023 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263103254 826737787 /nfs/dbraw/zinc/73/77/87/826737787.db2.gz UELMWRLHENTIAG-ZFWWWQNUSA-N 1 3 298.431 -0.757 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC001263106891 826739144 /nfs/dbraw/zinc/73/91/44/826739144.db2.gz IJWRROHQGDWDMJ-SECBINFHSA-N 1 3 257.334 -0.475 20 0 CBADHO CC[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001263156049 826744933 /nfs/dbraw/zinc/74/49/33/826744933.db2.gz LPKUVGFXWUSXHK-ZYHUDNBSSA-N 1 3 253.346 -0.377 20 0 CBADHO CC[C@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001263156047 826745316 /nfs/dbraw/zinc/74/53/16/826745316.db2.gz LPKUVGFXWUSXHK-JQWIXIFHSA-N 1 3 253.346 -0.377 20 0 CBADHO CC[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001263156046 826745435 /nfs/dbraw/zinc/74/54/35/826745435.db2.gz LPKUVGFXWUSXHK-CMPLNLGQSA-N 1 3 253.346 -0.377 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001263212660 826754062 /nfs/dbraw/zinc/75/40/62/826754062.db2.gz ZKOKBVTUIXFTMC-XCBNKYQSSA-N 1 3 251.277 -0.719 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001263879840 826787648 /nfs/dbraw/zinc/78/76/48/826787648.db2.gz VPGANHDDZGGMMF-ZDUSSCGKSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1)N(C)C ZINC001265544509 826902907 /nfs/dbraw/zinc/90/29/07/826902907.db2.gz KPYCLZFOPBBNGN-GRYCIOLGSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(N)=O ZINC001265851623 826929100 /nfs/dbraw/zinc/92/91/00/826929100.db2.gz QCHMKRIXBLNSLG-UWVGGRQHSA-N 1 3 268.361 -0.950 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266275169 826969232 /nfs/dbraw/zinc/96/92/32/826969232.db2.gz PIFMHBHKZLBOEH-WCQYABFASA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H](O)C[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001266326680 826985129 /nfs/dbraw/zinc/98/51/29/826985129.db2.gz HGJURABSTFNHMI-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](O)C[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001266326680 826985134 /nfs/dbraw/zinc/98/51/34/826985134.db2.gz HGJURABSTFNHMI-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001266561741 827022467 /nfs/dbraw/zinc/02/24/67/827022467.db2.gz DQEQQSCRQBZGQL-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCCN1C ZINC001266660443 827043354 /nfs/dbraw/zinc/04/33/54/827043354.db2.gz OQKNUQAMKKIQCN-GFCCVEGCSA-N 1 3 280.376 -0.580 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCn1cncn1)N(C)C ZINC001266828253 827072956 /nfs/dbraw/zinc/07/29/56/827072956.db2.gz SDCRKXQRHZBADS-CYBMUJFWSA-N 1 3 296.419 -0.088 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cc1c[nH]cn1 ZINC001266846963 827075055 /nfs/dbraw/zinc/07/50/55/827075055.db2.gz OFMLXKMEWXPHKU-NSHDSACASA-N 1 3 270.333 -0.993 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001267004620 827106918 /nfs/dbraw/zinc/10/69/18/827106918.db2.gz FZWXDHVILDZFBW-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001266971444 827100707 /nfs/dbraw/zinc/10/07/07/827100707.db2.gz MLZUZRPZSPGRKI-ZJUUUORDSA-N 1 3 258.366 -0.833 20 0 CBADHO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001267354876 827156519 /nfs/dbraw/zinc/15/65/19/827156519.db2.gz AUPBPBQMJPMRQM-MNOVXSKESA-N 1 3 268.361 -0.983 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(N)=O ZINC001267372490 827160031 /nfs/dbraw/zinc/16/00/31/827160031.db2.gz RZRNEUDLPVEYPR-LLVKDONJSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(N)=O ZINC001267372490 827160037 /nfs/dbraw/zinc/16/00/37/827160037.db2.gz RZRNEUDLPVEYPR-LLVKDONJSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001267437806 827171593 /nfs/dbraw/zinc/17/15/93/827171593.db2.gz YKTOTEIDZQQJJV-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CN(CCNCC(=O)NCC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267470588 827175131 /nfs/dbraw/zinc/17/51/31/827175131.db2.gz XYYDDVTYUIBWNJ-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO CN(CCNCC(=O)NCC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267470588 827175136 /nfs/dbraw/zinc/17/51/36/827175136.db2.gz XYYDDVTYUIBWNJ-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001268579982 827372172 /nfs/dbraw/zinc/37/21/72/827372172.db2.gz UTFGTWXRSJWXBH-PBJSTTKNSA-N 1 3 296.415 -0.003 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580867 827372292 /nfs/dbraw/zinc/37/22/92/827372292.db2.gz DDTJAZWGSKZROH-FYJFLYSWSA-N 1 3 296.415 -0.275 20 0 CBADHO C[C@H](O)C[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001268625750 827382440 /nfs/dbraw/zinc/38/24/40/827382440.db2.gz SIFMDNFVTUYZHH-DLGQBQFBSA-N 1 3 255.362 -0.275 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]CC(N)=O ZINC001268958780 827444827 /nfs/dbraw/zinc/44/48/27/827444827.db2.gz OXAURXIWOKTEOW-UHFFFAOYSA-N 1 3 258.366 -0.750 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001268958465 827445090 /nfs/dbraw/zinc/44/50/90/827445090.db2.gz KULZGUJEDYXBJF-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001270174662 827551218 /nfs/dbraw/zinc/55/12/18/827551218.db2.gz PGEQWDLKJUCDDR-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CCO)N(C)C ZINC001270568964 827578912 /nfs/dbraw/zinc/57/89/12/827578912.db2.gz QGEYECCNQMPFMF-NWDGAFQWSA-N 1 3 259.394 -0.093 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CCO)N(C)C ZINC001270568967 827578956 /nfs/dbraw/zinc/57/89/56/827578956.db2.gz QGEYECCNQMPFMF-VXGBXAGGSA-N 1 3 259.394 -0.093 20 0 CBADHO CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271996213 827748032 /nfs/dbraw/zinc/74/80/32/827748032.db2.gz JOBQJUVZWZOJBS-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271996213 827748036 /nfs/dbraw/zinc/74/80/36/827748036.db2.gz JOBQJUVZWZOJBS-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCCF)CC[N@@H+]1C ZINC001272413589 827794430 /nfs/dbraw/zinc/79/44/30/827794430.db2.gz FBSKDTAOMWYBFP-GMTAPVOTSA-N 1 3 261.341 -0.637 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCCF)CC[N@H+]1C ZINC001272413589 827794439 /nfs/dbraw/zinc/79/44/39/827794439.db2.gz FBSKDTAOMWYBFP-GMTAPVOTSA-N 1 3 261.341 -0.637 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC)N(C)C ZINC001273123748 827867930 /nfs/dbraw/zinc/86/79/30/827867930.db2.gz YXULDDJXSUMWMT-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1CCCN1C ZINC001273298487 827886793 /nfs/dbraw/zinc/88/67/93/827886793.db2.gz QRYXFECXYXGWMP-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001273342672 827891536 /nfs/dbraw/zinc/89/15/36/827891536.db2.gz OWRHEJCBDGVYTP-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC(=O)NCCN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274000365 827951718 /nfs/dbraw/zinc/95/17/18/827951718.db2.gz SGPQNXIEVZGOHQ-ZIAGYGMSSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@@H](C)O ZINC001274611863 828012891 /nfs/dbraw/zinc/01/28/91/828012891.db2.gz XCNRJWUTTSXNRD-BTDICHCPSA-N 1 3 257.378 -0.031 20 0 CBADHO C[NH+](C)CCN1CC[C@@]2(CCCN(CC(N)=O)CC2)C1=O ZINC001274061945 827962485 /nfs/dbraw/zinc/96/24/85/827962485.db2.gz JHMWTRUJWVKGIO-HNNXBMFYSA-N 1 3 296.415 -0.262 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274588684 828005914 /nfs/dbraw/zinc/00/59/14/828005914.db2.gz LKVHBUPNCHMXKN-UHFFFAOYSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCOCCO ZINC001276002253 828129796 /nfs/dbraw/zinc/12/97/96/828129796.db2.gz JSINLDVKZHCKTK-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCOCCO ZINC001276002253 828129802 /nfs/dbraw/zinc/12/98/02/828129802.db2.gz JSINLDVKZHCKTK-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001276076409 828132831 /nfs/dbraw/zinc/13/28/31/828132831.db2.gz OWPFJQVPMZYZTC-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001276386412 828144170 /nfs/dbraw/zinc/14/41/70/828144170.db2.gz AFZOEGFMVSYIOD-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]CC(=O)N1CCC1 ZINC001276399928 828144196 /nfs/dbraw/zinc/14/41/96/828144196.db2.gz RXXFVGKAXHLHJO-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCN1CCO[C@H]2CN(CC3(C)COC3)C[C@H]21 ZINC001276422751 828145575 /nfs/dbraw/zinc/14/55/75/828145575.db2.gz XXIBUHYZGWQSLS-KGLIPLIRSA-N 1 3 283.416 -0.031 20 0 CBADHO COC(=O)[C@H](C)CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276524213 828148242 /nfs/dbraw/zinc/14/82/42/828148242.db2.gz YXINRDKMNKHGHO-MCIONIFRSA-N 1 3 299.415 -0.258 20 0 CBADHO C[NH+](C)CCN1CCO[C@H]2CN(CCn3ccnc3)C[C@@H]21 ZINC001277544553 828194032 /nfs/dbraw/zinc/19/40/32/828194032.db2.gz KGCUCRLWQAGYOB-GJZGRUSLSA-N 1 3 293.415 -0.170 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179763623 884709120 /nfs/dbraw/zinc/70/91/20/884709120.db2.gz MZBOBRXDXLWRPJ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO [NH3+]C[C@@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC001326256967 884960346 /nfs/dbraw/zinc/96/03/46/884960346.db2.gz CNNJAVXTEQDXDQ-VIFPVBQESA-N 1 3 263.345 -0.134 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001328339709 885641389 /nfs/dbraw/zinc/64/13/89/885641389.db2.gz RRDPJNDXACDVFU-HTQZYQBOSA-N 1 3 251.277 -0.455 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001331707710 886924342 /nfs/dbraw/zinc/92/43/42/886924342.db2.gz NVQKWTOFDLHDSB-KOLCDFICSA-N 1 3 263.345 -0.297 20 0 CBADHO Cn1ncnc1CNCCCN1CCC[N@H+](C)CC1 ZINC001332674429 887400187 /nfs/dbraw/zinc/40/01/87/887400187.db2.gz OVRQIUMYEIGUTR-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO Cn1ncnc1CNCCCN1CCC[N@@H+](C)CC1 ZINC001332674429 887400200 /nfs/dbraw/zinc/40/02/00/887400200.db2.gz OVRQIUMYEIGUTR-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO COCC[C@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001333177136 887551863 /nfs/dbraw/zinc/55/18/63/887551863.db2.gz CUVYWSNUYSSAMX-YUMQZZPRSA-N 1 3 251.277 -0.536 20 0 CBADHO COC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001335190155 888436710 /nfs/dbraw/zinc/43/67/10/888436710.db2.gz IFKMUTHSGIFGLQ-RYUDHWBXSA-N 1 3 269.349 -0.619 20 0 CBADHO COC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001335190155 888436726 /nfs/dbraw/zinc/43/67/26/888436726.db2.gz IFKMUTHSGIFGLQ-RYUDHWBXSA-N 1 3 269.349 -0.619 20 0 CBADHO C[C@@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449697 888534816 /nfs/dbraw/zinc/53/48/16/888534816.db2.gz UNZYLTGOOJAVJX-JQWIXIFHSA-N 1 3 267.377 -0.037 20 0 CBADHO C[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449697 888534846 /nfs/dbraw/zinc/53/48/46/888534846.db2.gz UNZYLTGOOJAVJX-JQWIXIFHSA-N 1 3 267.377 -0.037 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC001335604714 888579885 /nfs/dbraw/zinc/57/98/85/888579885.db2.gz UMXCERPTOIFPNA-VWYCJHECSA-N 1 3 256.350 -0.871 20 0 CBADHO CCS(=O)(=O)NCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC001336751499 888869269 /nfs/dbraw/zinc/86/92/69/888869269.db2.gz SLTDDAWBONKGRA-GFCCVEGCSA-N 1 3 293.433 -0.638 20 0 CBADHO CC(C)(C(N)=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001337837802 889086564 /nfs/dbraw/zinc/08/65/64/889086564.db2.gz GAVRCHQHWDGKBX-PHIMTYICSA-N 1 3 254.378 -0.395 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)CC[N@@H+]1C ZINC001340473358 889436342 /nfs/dbraw/zinc/43/63/42/889436342.db2.gz PSCWFZYVTKTDMA-GRYCIOLGSA-N 1 3 267.373 -0.036 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)CC[N@H+]1C ZINC001340473358 889436354 /nfs/dbraw/zinc/43/63/54/889436354.db2.gz PSCWFZYVTKTDMA-GRYCIOLGSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]1CNCCN1C ZINC001340914176 889513429 /nfs/dbraw/zinc/51/34/29/889513429.db2.gz FRSHMQLIKUKRKV-IJLUTSLNSA-N 1 3 254.378 -0.748 20 0 CBADHO CC1CCN(CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001341556253 889623368 /nfs/dbraw/zinc/62/33/68/889623368.db2.gz XSTAVSFZEKRHSM-JSGCOSHPSA-N 1 3 269.389 -0.053 20 0 CBADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC001341672908 889645991 /nfs/dbraw/zinc/64/59/91/889645991.db2.gz PMVIMWBKEPQBKW-FZMZJTMJSA-N 1 3 267.373 -0.156 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCN1 ZINC001341799099 889665601 /nfs/dbraw/zinc/66/56/01/889665601.db2.gz SHMGXRHXQXACSO-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1NCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H]1C ZINC001343484913 889917802 /nfs/dbraw/zinc/91/78/02/889917802.db2.gz BHVZVMCJFAKVCO-SDDRHHMPSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001344519124 890037795 /nfs/dbraw/zinc/03/77/95/890037795.db2.gz SJXBIQBBCWOMMO-RNJOBUHISA-N 1 3 269.389 -0.102 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444627972 912482015 /nfs/dbraw/zinc/48/20/15/912482015.db2.gz HZBUZAOIRSFVDU-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CN(C)C1CCC1 ZINC001444638297 912485167 /nfs/dbraw/zinc/48/51/67/912485167.db2.gz RVVVCHSKLNQHQB-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444638323 912485461 /nfs/dbraw/zinc/48/54/61/912485461.db2.gz RYTHNJFXKPZSCN-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001444684097 912490581 /nfs/dbraw/zinc/49/05/81/912490581.db2.gz DMVGWUBTKIKJPJ-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444763063 912503577 /nfs/dbraw/zinc/50/35/77/912503577.db2.gz WHQRATQPUGRXEY-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444763063 912503590 /nfs/dbraw/zinc/50/35/90/912503590.db2.gz WHQRATQPUGRXEY-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO Cc1ccncc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001445221086 912604775 /nfs/dbraw/zinc/60/47/75/912604775.db2.gz ATJSVDLITYINLD-AWEZNQCLSA-N 1 3 294.399 -0.092 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445332744 912636820 /nfs/dbraw/zinc/63/68/20/912636820.db2.gz YQINNISRVVIZIM-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445332744 912636824 /nfs/dbraw/zinc/63/68/24/912636824.db2.gz YQINNISRVVIZIM-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001445387065 912652378 /nfs/dbraw/zinc/65/23/78/912652378.db2.gz CTOQVUXREXAYPP-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO C([C@H]1CNCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001347145862 890416320 /nfs/dbraw/zinc/41/63/20/890416320.db2.gz QPAQDANGUSHEAM-UONOGXRCSA-N 1 3 269.389 -0.371 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001445558318 912701536 /nfs/dbraw/zinc/70/15/36/912701536.db2.gz PVGBUMBVSPMGCN-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001445604065 912710663 /nfs/dbraw/zinc/71/06/63/912710663.db2.gz HELDWSPEAQKFFZ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001445603339 912712130 /nfs/dbraw/zinc/71/21/30/912712130.db2.gz DPQKWTTWYDBUSY-AXFHLTTASA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001445609105 912712562 /nfs/dbraw/zinc/71/25/62/912712562.db2.gz HMZKJQPCOFLJLC-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001188158697 884722543 /nfs/dbraw/zinc/72/25/43/884722543.db2.gz VDGBOBVIDWPAJF-QWHCGFSZSA-N 1 3 298.431 -0.006 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001210811628 884766170 /nfs/dbraw/zinc/76/61/70/884766170.db2.gz PJRBIGIPNFENAS-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001211353692 884770370 /nfs/dbraw/zinc/77/03/70/884770370.db2.gz HXAZHFKIOFGHHE-QWRGUYRKSA-N 1 3 271.361 -0.452 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001446420904 912879622 /nfs/dbraw/zinc/87/96/22/912879622.db2.gz PVVZWGVEIPNCES-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001326309743 884980005 /nfs/dbraw/zinc/98/00/05/884980005.db2.gz PXJHBBMJQQODLL-ONGXEEELSA-N 1 3 258.366 -0.800 20 0 CBADHO N[C@H](CC(F)F)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326818201 885161366 /nfs/dbraw/zinc/16/13/66/885161366.db2.gz ZFWLEGVGXKWKJD-SNVBAGLBSA-N 1 3 279.331 -0.068 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886923 885182379 /nfs/dbraw/zinc/18/23/79/885182379.db2.gz VWUIYZMIJGELIL-OUAUKWLOSA-N 1 3 262.375 -0.605 20 0 CBADHO C[C@@H](N)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001327179927 885277598 /nfs/dbraw/zinc/27/75/98/885277598.db2.gz BXYLOXJQYTVULG-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001327682026 885450266 /nfs/dbraw/zinc/45/02/66/885450266.db2.gz ITGRXMHCYFJDRK-STQMWFEESA-N 1 3 296.415 -0.025 20 0 CBADHO [NH3+]CCOCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327926711 885528904 /nfs/dbraw/zinc/52/89/04/885528904.db2.gz AYXJXFYWNPZOQV-GFCCVEGCSA-N 1 3 271.361 -0.669 20 0 CBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCO)CC1)N(C)C ZINC001328206963 885601490 /nfs/dbraw/zinc/60/14/90/885601490.db2.gz FHAMBHFYFKDXFL-LBPRGKRZSA-N 1 3 287.404 -0.738 20 0 CBADHO [NH3+]CCCOC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC001328235772 885609328 /nfs/dbraw/zinc/60/93/28/885609328.db2.gz ICRUAUNRVCOWGS-CYBMUJFWSA-N 1 3 285.388 -0.279 20 0 CBADHO C[NH2+]CCCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328456686 885693763 /nfs/dbraw/zinc/69/37/63/885693763.db2.gz ZGQMTUOZPCKWBB-UHFFFAOYSA-N 1 3 253.306 -0.743 20 0 CBADHO C[C@@H]1CCCN(CC(=O)N2CCNCC2)[C@@H]1CC[NH3+] ZINC001328728856 885794037 /nfs/dbraw/zinc/79/40/37/885794037.db2.gz ALAFZLHQOWZLPM-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)NCCCCN1CCN(C)CC1 ZINC001329253905 885986239 /nfs/dbraw/zinc/98/62/39/885986239.db2.gz PFMVNNBCHYXCSH-CYBMUJFWSA-N 1 3 286.420 -0.506 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC001329838259 886233627 /nfs/dbraw/zinc/23/36/27/886233627.db2.gz OLCQNRJJJNQEIN-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC1CC[NH2+]CC1 ZINC001330595628 886492853 /nfs/dbraw/zinc/49/28/53/886492853.db2.gz BGDNCJSVMCZKRE-UHFFFAOYSA-N 1 3 251.334 -0.392 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001330600775 886495667 /nfs/dbraw/zinc/49/56/67/886495667.db2.gz AJTLJKIIUTYMFQ-JTQLQIEISA-N 1 3 263.345 -0.107 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330647181 886515637 /nfs/dbraw/zinc/51/56/37/886515637.db2.gz CKBYZUFXYVOFNP-GFCCVEGCSA-N 1 3 268.405 -0.038 20 0 CBADHO COCC[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001330880165 886612540 /nfs/dbraw/zinc/61/25/40/886612540.db2.gz PRFATFZXVASAHE-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC001331219450 886735037 /nfs/dbraw/zinc/73/50/37/886735037.db2.gz IPTIUCLNCVOBBL-FRRDWIJNSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(N)=O ZINC001331406934 886795844 /nfs/dbraw/zinc/79/58/44/886795844.db2.gz PICCISDWSISZES-VHSXEESVSA-N 1 3 256.350 -0.998 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670285 886897109 /nfs/dbraw/zinc/89/71/09/886897109.db2.gz VCDTUCSUVQORRR-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001331707716 886923408 /nfs/dbraw/zinc/92/34/08/886923408.db2.gz NVQKWTOFDLHDSB-ONGXEEELSA-N 1 3 263.345 -0.297 20 0 CBADHO COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001331712373 886926974 /nfs/dbraw/zinc/92/69/74/886926974.db2.gz OBTQBULNFYFLGR-STQMWFEESA-N 1 3 287.404 -0.428 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001447571075 913096042 /nfs/dbraw/zinc/09/60/42/913096042.db2.gz ROBPVXRJNKYCIA-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001331969358 887067575 /nfs/dbraw/zinc/06/75/75/887067575.db2.gz OIJBIOSGYFZQIE-RQJHMYQMSA-N 1 3 257.256 -0.254 20 0 CBADHO CN(CCNC(=O)C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC001332268457 887177922 /nfs/dbraw/zinc/17/79/22/887177922.db2.gz XSAUEOHJNJIXKO-UHFFFAOYSA-N 1 3 270.377 -0.560 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC001332333502 887209390 /nfs/dbraw/zinc/20/93/90/887209390.db2.gz CBUFNOLOXZGZDF-SVNGYHJRSA-N 1 3 253.346 -0.563 20 0 CBADHO [NH3+]C[C@H]1CCN(C[C@@H](O)COC2CCOCC2)C1 ZINC001332365435 887233600 /nfs/dbraw/zinc/23/36/00/887233600.db2.gz SLOQNPNSKGBWLM-VXGBXAGGSA-N 1 3 258.362 -0.177 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001447822844 913133370 /nfs/dbraw/zinc/13/33/70/913133370.db2.gz KIQFASNZBIGZTD-VOMCLLRMSA-N 1 3 284.404 -0.315 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860951 913149849 /nfs/dbraw/zinc/14/98/49/913149849.db2.gz BXYFXGMZJHOKQQ-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447908194 913161623 /nfs/dbraw/zinc/16/16/23/913161623.db2.gz SRRWIHBQYWZCNK-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447908205 913163170 /nfs/dbraw/zinc/16/31/70/913163170.db2.gz SRRWIHBQYWZCNK-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001333397697 887621844 /nfs/dbraw/zinc/62/18/44/887621844.db2.gz MNBRRZMDUYPPRW-NXEZZACHSA-N 1 3 268.361 -0.855 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001333397700 887622153 /nfs/dbraw/zinc/62/21/53/887622153.db2.gz MNBRRZMDUYPPRW-ZJUUUORDSA-N 1 3 268.361 -0.855 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2([NH3+])CCC2)n1 ZINC001333636060 887728526 /nfs/dbraw/zinc/72/85/26/887728526.db2.gz PELMOGHMXSUPBY-UHFFFAOYSA-N 1 3 251.290 -0.862 20 0 CBADHO COC(=O)[C@H](NC(CN)C[NH3+])c1ccc(F)cc1 ZINC001334339737 887927814 /nfs/dbraw/zinc/92/78/14/887927814.db2.gz ZBSMQVHXHCGQRS-LLVKDONJSA-N 1 3 255.293 -0.085 20 0 CBADHO COC(=O)[C@@H](NC(CN)C[NH3+])c1ccc(F)cc1 ZINC001334339738 887928317 /nfs/dbraw/zinc/92/83/17/887928317.db2.gz ZBSMQVHXHCGQRS-NSHDSACASA-N 1 3 255.293 -0.085 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001335235806 888461153 /nfs/dbraw/zinc/46/11/53/888461153.db2.gz ZNOHVRMPDAOINI-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001335257280 888474166 /nfs/dbraw/zinc/47/41/66/888474166.db2.gz UWMOHPYPUVRXSR-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO O=C1C[C@H](CCNC[C@@H](O)C[NH+]2CCCC2)CN1 ZINC001335318421 888497184 /nfs/dbraw/zinc/49/71/84/888497184.db2.gz HAQJDPMEDISJDW-NWDGAFQWSA-N 1 3 255.362 -0.441 20 0 CBADHO CCOC[C@@H](O)C[NH2+]CCN1CCN(CC)CC1 ZINC001335351515 888511080 /nfs/dbraw/zinc/51/10/80/888511080.db2.gz OQMOLADIPLFTBT-ZDUSSCGKSA-N 1 3 259.394 -0.389 20 0 CBADHO CN1CCC(O)(C[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001335397002 888523987 /nfs/dbraw/zinc/52/39/87/888523987.db2.gz BMHXDUNIZXRCST-LLVKDONJSA-N 1 3 258.362 -0.691 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335603108 888578911 /nfs/dbraw/zinc/57/89/11/888578911.db2.gz IPKASTUGAWDXPG-TUAOUCFPSA-N 1 3 268.361 -0.774 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001336658856 888835866 /nfs/dbraw/zinc/83/58/66/888835866.db2.gz LPWCSKQOMRFXDQ-GRYCIOLGSA-N 1 3 254.378 -0.476 20 0 CBADHO C[C@@H]1CN(c2nccnc2C[NH3+])[C@H](C)CN1CCO ZINC001336659658 888837955 /nfs/dbraw/zinc/83/79/55/888837955.db2.gz CUEYUWSRLJRWLR-GHMZBOCLSA-N 1 3 265.361 -0.173 20 0 CBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001336736299 888860623 /nfs/dbraw/zinc/86/06/23/888860623.db2.gz LTDAZIKEPPCBFC-CQSZACIVSA-N 1 3 285.432 -0.121 20 0 CBADHO CN(C)[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CC1 ZINC001336738937 888862363 /nfs/dbraw/zinc/86/23/63/888862363.db2.gz IXEKGUZXAVEUOD-CABCVRRESA-N 1 3 284.448 -0.476 20 0 CBADHO CN1CCN(C[C@@H](O)C[NH2+]CCN2CCCC2)CC1 ZINC001336754093 888867105 /nfs/dbraw/zinc/86/71/05/888867105.db2.gz AHIYHUKFALABKA-AWEZNQCLSA-N 1 3 270.421 -0.720 20 0 CBADHO CC1(C)CN(C(=O)NC[C@@H]2CNCCO2)C[C@@H]1[NH3+] ZINC001336923450 888922285 /nfs/dbraw/zinc/92/22/85/888922285.db2.gz PYAUPJJRHSFGEJ-UWVGGRQHSA-N 1 3 256.350 -0.647 20 0 CBADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585075 913322614 /nfs/dbraw/zinc/32/26/14/913322614.db2.gz BEZPURPFRGTRGI-PWSUYJOCSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CS(C)(=O)=O)NCCN1CCC([NH3+])CC1 ZINC001340065047 889376105 /nfs/dbraw/zinc/37/61/05/889376105.db2.gz RZKNXMXGEXJCLR-JTQLQIEISA-N 1 3 263.407 -0.568 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340182707 889404744 /nfs/dbraw/zinc/40/47/44/889404744.db2.gz LCTAVSPMRJOGKC-HTQZYQBOSA-N 1 3 268.283 -0.714 20 0 CBADHO CN(CCNC(=O)CNCC[NH3+])Cc1ccccc1 ZINC001340192517 889404706 /nfs/dbraw/zinc/40/47/06/889404706.db2.gz XXVKCHVKIKYIPW-UHFFFAOYSA-N 1 3 264.373 -0.217 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001340652990 889459029 /nfs/dbraw/zinc/45/90/29/889459029.db2.gz QAIDMGSOXWPMAX-RYUDHWBXSA-N 1 3 266.389 -0.319 20 0 CBADHO CCCN(CCN(C)C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340646768 889459975 /nfs/dbraw/zinc/45/99/75/889459975.db2.gz ABVJRMUBUPZTPE-DGCLKSJQSA-N 1 3 257.378 -0.101 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCN1CCCCC1 ZINC001340789250 889487482 /nfs/dbraw/zinc/48/74/82/889487482.db2.gz ISXQVRLCQOSBJF-NEPJUHHUSA-N 1 3 257.378 -0.195 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001340917172 889513036 /nfs/dbraw/zinc/51/30/36/889513036.db2.gz XWAAYEANQAGFTR-UTUOFQBUSA-N 1 3 257.378 -0.341 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001340942968 889518747 /nfs/dbraw/zinc/51/87/47/889518747.db2.gz GKWCLFYYIYWTOJ-QWRGUYRKSA-N 1 3 254.378 -0.606 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001341206705 889556519 /nfs/dbraw/zinc/55/65/19/889556519.db2.gz RVZLXXAXCMGZRA-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001448721396 913357974 /nfs/dbraw/zinc/35/79/74/913357974.db2.gz RXBXDMOHOWVNPT-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341240516 889562247 /nfs/dbraw/zinc/56/22/47/889562247.db2.gz GPKQEWXTZIBTCJ-OUAUKWLOSA-N 1 3 269.345 -0.380 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001341244635 889566550 /nfs/dbraw/zinc/56/65/50/889566550.db2.gz QSJADORQFAZTHQ-VHSXEESVSA-N 1 3 257.334 -0.536 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001341370479 889583681 /nfs/dbraw/zinc/58/36/81/889583681.db2.gz YQTVDMMQUQYHAM-VHSXEESVSA-N 1 3 253.346 -0.378 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001341447625 889599453 /nfs/dbraw/zinc/59/94/53/889599453.db2.gz LROUUGFXQZUKJM-OUCADQQQSA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C ZINC001448731260 913362879 /nfs/dbraw/zinc/36/28/79/913362879.db2.gz IUHJCVIQIMIUNE-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001341500988 889608481 /nfs/dbraw/zinc/60/84/81/889608481.db2.gz GNYYXEPZSUUWNP-RTXFEEFZSA-N 1 3 269.389 -0.245 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341585006 889629779 /nfs/dbraw/zinc/62/97/79/889629779.db2.gz LMTCPCXVHRAZPR-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO CC1(C)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCN1 ZINC001341794651 889663570 /nfs/dbraw/zinc/66/35/70/889663570.db2.gz FSWDPSOTGXCPSQ-ZDUSSCGKSA-N 1 3 255.362 -0.299 20 0 CBADHO CCO[C@H](CNC(=O)[C@@H](N)CCOC)C[NH+](C)C ZINC001341798379 889666592 /nfs/dbraw/zinc/66/65/92/889666592.db2.gz XJLZUTQRSNQVQW-MNOVXSKESA-N 1 3 261.366 -0.567 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC001341986090 889694196 /nfs/dbraw/zinc/69/41/96/889694196.db2.gz XIQKOLOMZANMLZ-DTWKUNHWSA-N 1 3 263.345 -0.087 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)C1 ZINC001342125170 889714445 /nfs/dbraw/zinc/71/44/45/889714445.db2.gz GZFUFZBJXJZETQ-GMTAPVOTSA-N 1 3 253.346 -0.249 20 0 CBADHO N[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1F ZINC001342176621 889727298 /nfs/dbraw/zinc/72/72/98/889727298.db2.gz SKBANQOMFPKOEG-HBNTYKKESA-N 1 3 286.351 -0.919 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342200456 889729754 /nfs/dbraw/zinc/72/97/54/889729754.db2.gz IGSPAFRFEWBHSR-WDEREUQCSA-N 1 3 253.346 -0.377 20 0 CBADHO COC[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCCCN1 ZINC001342416123 889769473 /nfs/dbraw/zinc/76/94/73/889769473.db2.gz NZHCGNYGNDCYAV-NQBHXWOUSA-N 1 3 255.362 -0.131 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001343507267 889926406 /nfs/dbraw/zinc/92/64/06/889926406.db2.gz ILQGYXAVIFFLDX-WDEREUQCSA-N 1 3 252.362 -0.852 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001343918836 889977944 /nfs/dbraw/zinc/97/79/44/889977944.db2.gz IGSIRXBMIYPQPC-SCRDCRAPSA-N 1 3 266.389 -0.523 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001344519128 890034992 /nfs/dbraw/zinc/03/49/92/890034992.db2.gz SJXBIQBBCWOMMO-RVMXOQNASA-N 1 3 269.389 -0.102 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CNC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001344875851 890077384 /nfs/dbraw/zinc/07/73/84/890077384.db2.gz BAOONUNFECWVGN-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CNC[C@@H]2CCCO2)CC[N@H+]1C ZINC001344875851 890077402 /nfs/dbraw/zinc/07/74/02/890077402.db2.gz BAOONUNFECWVGN-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)CCN1C ZINC001344875851 890077418 /nfs/dbraw/zinc/07/74/18/890077418.db2.gz BAOONUNFECWVGN-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO COC[C@@H](O)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001345098836 890100479 /nfs/dbraw/zinc/10/04/79/890100479.db2.gz WZKKXLLMRCMREI-WUHRBBMRSA-N 1 3 258.362 -0.260 20 0 CBADHO C([C@@H]1CNCCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001345137308 890102752 /nfs/dbraw/zinc/10/27/52/890102752.db2.gz LCTNFJIQXZZMRF-ZDUSSCGKSA-N 1 3 269.389 -0.181 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001345545391 890141369 /nfs/dbraw/zinc/14/13/69/890141369.db2.gz PDQAYODDQSBGHG-JOCQHMNTSA-N 1 3 268.405 -0.133 20 0 CBADHO Cc1ocnc1CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC001345633415 890148051 /nfs/dbraw/zinc/14/80/51/890148051.db2.gz HWDWSEAYVNRKLD-LBPRGKRZSA-N 1 3 268.361 -0.319 20 0 CBADHO CCN1CCN(CCC(=O)NC2CC[NH2+]CC2)CC1 ZINC001346103292 890213474 /nfs/dbraw/zinc/21/34/74/890213474.db2.gz IFOKIAFQDNIJMR-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449025692 913483235 /nfs/dbraw/zinc/48/32/35/913483235.db2.gz VDHANNKDAAGATP-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449025688 913483702 /nfs/dbraw/zinc/48/37/02/913483702.db2.gz VDHANNKDAAGATP-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317462 890793894 /nfs/dbraw/zinc/79/38/94/890793894.db2.gz CEDBIKIVEOKYIF-UWVGGRQHSA-N 1 3 266.345 -0.747 20 0 CBADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001349608110 890849736 /nfs/dbraw/zinc/84/97/36/890849736.db2.gz IAFMXMKCBAKJHM-VSQXVHSFSA-N 1 3 265.357 -0.257 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(CC(N)=O)nn2)C1 ZINC001349838747 890903157 /nfs/dbraw/zinc/90/31/57/890903157.db2.gz JFPGVQBYSXDPOI-JGZJWPJOSA-N 1 3 266.349 -0.807 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350045517 890929033 /nfs/dbraw/zinc/92/90/33/890929033.db2.gz KLHGPQHITOYJQG-IJLUTSLNSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001350331644 890963842 /nfs/dbraw/zinc/96/38/42/890963842.db2.gz AKYMCZJLEVKXRO-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO COCCOC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001350909503 891064794 /nfs/dbraw/zinc/06/47/94/891064794.db2.gz JSLBTYMGEVAOGK-DRZSPHRISA-N 1 3 258.362 -0.036 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001353279701 891390720 /nfs/dbraw/zinc/39/07/20/891390720.db2.gz YTKSZLWBGNSKSN-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(C(=O)C(=O)NCCN(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC001353274923 891391645 /nfs/dbraw/zinc/39/16/45/891391645.db2.gz ADCKKVCUDCEHMD-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001353279703 891391677 /nfs/dbraw/zinc/39/16/77/891391677.db2.gz YTKSZLWBGNSKSN-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001353496713 891436056 /nfs/dbraw/zinc/43/60/56/891436056.db2.gz TYGPKODSASPTTF-MWLCHTKSSA-N 1 3 255.362 -0.315 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001353496713 891436065 /nfs/dbraw/zinc/43/60/65/891436065.db2.gz TYGPKODSASPTTF-MWLCHTKSSA-N 1 3 255.362 -0.315 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC001353518639 891440084 /nfs/dbraw/zinc/44/00/84/891440084.db2.gz SCSIDPMJXMSRQD-GHMZBOCLSA-N 1 3 268.361 -0.360 20 0 CBADHO O=C(NCC1(O)C[NH2+]C1)c1cc2c(s1)CNCC2 ZINC001354224037 891539602 /nfs/dbraw/zinc/53/96/02/891539602.db2.gz PGHPOZJGVJUYJF-UHFFFAOYSA-N 1 3 267.354 -0.542 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001449390658 913577161 /nfs/dbraw/zinc/57/71/61/913577161.db2.gz XDAHNSHRNZEOBA-UHFFFAOYSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001449391827 913577270 /nfs/dbraw/zinc/57/72/70/913577270.db2.gz DLNSJIULNORPPQ-BPCQOVAHSA-N 1 3 298.431 -0.006 20 0 CBADHO C[C@]1(C(=O)NCCCCCN2CC[NH2+]CC2)CNCCO1 ZINC001354970545 891634058 /nfs/dbraw/zinc/63/40/58/891634058.db2.gz NISTWTCMCUUOEG-OAHLLOKOSA-N 1 3 298.431 -0.443 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH3+])CC2)CC1=O ZINC001355297791 891668182 /nfs/dbraw/zinc/66/81/82/891668182.db2.gz JICVTLOPCWAJSU-SNVBAGLBSA-N 1 3 268.361 -0.996 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC001355817812 891708439 /nfs/dbraw/zinc/70/84/39/891708439.db2.gz DPTQFSSPHISFAH-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO O=C(C[NH2+]C[C@H](O)C1CC1)NCCN1CCCCC1 ZINC001357211152 891862982 /nfs/dbraw/zinc/86/29/82/891862982.db2.gz SRZRKWWRZDASEJ-ZDUSSCGKSA-N 1 3 269.389 -0.051 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H](O)C[NH3+])C[C@H](C)O1 ZINC001357366146 891875826 /nfs/dbraw/zinc/87/58/26/891875826.db2.gz FFBYBGGFIIMTOU-FRRDWIJNSA-N 1 3 287.404 -0.298 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)CNCC[NH3+])c2ccccc2O1 ZINC001357429419 891889950 /nfs/dbraw/zinc/88/99/50/891889950.db2.gz ZPMPKLXYTXSMMO-LBPRGKRZSA-N 1 3 292.383 -0.110 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)CN1 ZINC001357443563 891893800 /nfs/dbraw/zinc/89/38/00/891893800.db2.gz CFAPPECGUXZPSO-WOPDTQHZSA-N 1 3 282.388 -0.608 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357453056 891894658 /nfs/dbraw/zinc/89/46/58/891894658.db2.gz LHWPDAGIMHQDNL-NXEZZACHSA-N 1 3 257.334 -0.475 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001357810773 891936122 /nfs/dbraw/zinc/93/61/22/891936122.db2.gz MKHJWBKNFDVBRS-OPRDCNLKSA-N 1 3 257.334 -0.395 20 0 CBADHO O=C(N1CCOC2(CNC2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357910704 891943547 /nfs/dbraw/zinc/94/35/47/891943547.db2.gz QDPDFAWYMXYDHO-GWCFXTLKSA-N 1 3 251.330 -0.813 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001357967067 891951307 /nfs/dbraw/zinc/95/13/07/891951307.db2.gz PEEUKPVHSNNLFC-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CCN1C ZINC001358187268 891978897 /nfs/dbraw/zinc/97/88/97/891978897.db2.gz VXBNCOSVLIAKCP-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCNCC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358212805 891982315 /nfs/dbraw/zinc/98/23/15/891982315.db2.gz GJCFZVDJAIDVIG-NSHDSACASA-N 1 3 299.371 -0.976 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001358393755 892001790 /nfs/dbraw/zinc/00/17/90/892001790.db2.gz KIWGMSMXMUBLQN-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO CCN1CC[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755452 892222535 /nfs/dbraw/zinc/22/25/35/892222535.db2.gz NCHWYPSJDMXLRB-GFCCVEGCSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)N1CCN(CCC[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC001364775511 894611051 /nfs/dbraw/zinc/61/10/51/894611051.db2.gz BPNTXVHQJLLQCR-HOTGVXAUSA-N 1 3 299.459 -0.065 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001365850404 895131430 /nfs/dbraw/zinc/13/14/30/895131430.db2.gz XXJDSVZFNOHGPO-FDYHWXHSSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001365838031 895131734 /nfs/dbraw/zinc/13/17/34/895131734.db2.gz GUDVRXXSSAXYPF-NQBHXWOUSA-N 1 3 284.404 -0.458 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001365850411 895132385 /nfs/dbraw/zinc/13/23/85/895132385.db2.gz XYBCTLYTAVXSKJ-BJDJZHNGSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082993 895186468 /nfs/dbraw/zinc/18/64/68/895186468.db2.gz REFARDHNQDJERP-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366095312 895188182 /nfs/dbraw/zinc/18/81/82/895188182.db2.gz YGUFRMFLEUBYDW-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366098326 895191422 /nfs/dbraw/zinc/19/14/22/895191422.db2.gz OGWXZBMCXYYVRW-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366149584 895209934 /nfs/dbraw/zinc/20/99/34/895209934.db2.gz KLATXTCMIGIUNM-TXEJJXNPSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366170043 895212358 /nfs/dbraw/zinc/21/23/58/895212358.db2.gz XDEYCDRXCLZXAE-XQQFMLRXSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001366173931 895213134 /nfs/dbraw/zinc/21/31/34/895213134.db2.gz WEXFDXUZHLWAST-WISYIIOYSA-N 1 3 284.404 -0.317 20 0 CBADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001366281495 895260319 /nfs/dbraw/zinc/26/03/19/895260319.db2.gz AWLROGLCHABJNL-JQWIXIFHSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N1CCC1 ZINC001366325650 895274311 /nfs/dbraw/zinc/27/43/11/895274311.db2.gz MNVAANXCXXIZNJ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320312 895277226 /nfs/dbraw/zinc/27/72/26/895277226.db2.gz BMCBMLSGVUYRLX-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366348293 895288487 /nfs/dbraw/zinc/28/84/87/895288487.db2.gz SXLPHFPCBIMLKH-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366348293 895288500 /nfs/dbraw/zinc/28/85/00/895288500.db2.gz SXLPHFPCBIMLKH-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001366349111 895291107 /nfs/dbraw/zinc/29/11/07/895291107.db2.gz VAVJJRJXQQYAGG-SMDDNHRTSA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001366349104 895291478 /nfs/dbraw/zinc/29/14/78/895291478.db2.gz VAVJJRJXQQYAGG-FZMZJTMJSA-N 1 3 298.431 -0.055 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366382147 895299719 /nfs/dbraw/zinc/29/97/19/895299719.db2.gz MDJCLNHAMYDSSQ-STQMWFEESA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001366764904 895453634 /nfs/dbraw/zinc/45/36/34/895453634.db2.gz CQUOJHYSWODLMR-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366907041 895480433 /nfs/dbraw/zinc/48/04/33/895480433.db2.gz GEJKIWLFCAFERZ-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366907041 895480439 /nfs/dbraw/zinc/48/04/39/895480439.db2.gz GEJKIWLFCAFERZ-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367032445 895538936 /nfs/dbraw/zinc/53/89/36/895538936.db2.gz KOUJDUOEHKVSMZ-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001367036664 895541129 /nfs/dbraw/zinc/54/11/29/895541129.db2.gz YNECIKNISBMMCX-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001367036664 895541136 /nfs/dbraw/zinc/54/11/36/895541136.db2.gz YNECIKNISBMMCX-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001367175398 895577115 /nfs/dbraw/zinc/57/71/15/895577115.db2.gz HUSFHIZYLOBVOB-SWLSCSKDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)NC1(C[NH2+]CC(N)=O)CCCC1)N(C)C ZINC001367165214 895578008 /nfs/dbraw/zinc/57/80/08/895578008.db2.gz YRTVSFJTFFOKSW-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CNC(=O)CC[N@H+](C)CC)N[C@H]1CCNC1=O ZINC001367145900 895579107 /nfs/dbraw/zinc/57/91/07/895579107.db2.gz VCAGCCXKEQYYDS-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)CC[N@@H+](C)CC)N[C@H]1CCNC1=O ZINC001367145900 895579121 /nfs/dbraw/zinc/57/91/21/895579121.db2.gz VCAGCCXKEQYYDS-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001367217605 895583566 /nfs/dbraw/zinc/58/35/66/895583566.db2.gz RVTXOCLYUXMLEG-HZSPNIEDSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367423909 895636380 /nfs/dbraw/zinc/63/63/80/895636380.db2.gz RMMZGGJQKWMNID-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367423909 895636383 /nfs/dbraw/zinc/63/63/83/895636383.db2.gz RMMZGGJQKWMNID-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367423910 895636712 /nfs/dbraw/zinc/63/67/12/895636712.db2.gz RMMZGGJQKWMNID-YNEHKIRRSA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367423910 895636718 /nfs/dbraw/zinc/63/67/18/895636718.db2.gz RMMZGGJQKWMNID-YNEHKIRRSA-N 1 3 298.431 -0.149 20 0 CBADHO CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(N)=O ZINC001367481989 895642104 /nfs/dbraw/zinc/64/21/04/895642104.db2.gz QPSWETDCGSBGKB-NSHDSACASA-N 1 3 284.404 -0.456 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001367617528 895704912 /nfs/dbraw/zinc/70/49/12/895704912.db2.gz BVLZVTUVXFOPPT-KBPBESRZSA-N 1 3 294.399 -0.012 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001367617530 895706443 /nfs/dbraw/zinc/70/64/43/895706443.db2.gz BVLZVTUVXFOPPT-UONOGXRCSA-N 1 3 294.399 -0.012 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001367691808 895749758 /nfs/dbraw/zinc/74/97/58/895749758.db2.gz OIJWAKRWCOAKHV-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367755411 895788653 /nfs/dbraw/zinc/78/86/53/895788653.db2.gz VZXYAWCGQBEAAR-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367755411 895788672 /nfs/dbraw/zinc/78/86/72/895788672.db2.gz VZXYAWCGQBEAAR-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001367767593 895797984 /nfs/dbraw/zinc/79/79/84/895797984.db2.gz NBFCUQYMMGCGCI-JQWIXIFHSA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367773555 895803619 /nfs/dbraw/zinc/80/36/19/895803619.db2.gz XQMJXPPXBAYSBY-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367773555 895803626 /nfs/dbraw/zinc/80/36/26/895803626.db2.gz XQMJXPPXBAYSBY-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001367907057 895849212 /nfs/dbraw/zinc/84/92/12/895849212.db2.gz LGSUTZWKPGVJAB-DRZSPHRISA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001367907057 895849225 /nfs/dbraw/zinc/84/92/25/895849225.db2.gz LGSUTZWKPGVJAB-DRZSPHRISA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926903 895853546 /nfs/dbraw/zinc/85/35/46/895853546.db2.gz WDAYDEKXSYTCRM-NWDGAFQWSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926903 895853557 /nfs/dbraw/zinc/85/35/57/895853557.db2.gz WDAYDEKXSYTCRM-NWDGAFQWSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915399 895856135 /nfs/dbraw/zinc/85/61/35/895856135.db2.gz ZSUYAXFDHRPCPH-ONGXEEELSA-N 1 3 270.377 -0.704 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001368110690 895913958 /nfs/dbraw/zinc/91/39/58/895913958.db2.gz YLFYIOWORJRSSS-QWHCGFSZSA-N 1 3 296.371 -0.460 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001368117205 895918658 /nfs/dbraw/zinc/91/86/58/895918658.db2.gz ABJITXNPKMMIAE-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001368117205 895918667 /nfs/dbraw/zinc/91/86/67/895918667.db2.gz ABJITXNPKMMIAE-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCO)C1)N(C)C ZINC001368617602 896049209 /nfs/dbraw/zinc/04/92/09/896049209.db2.gz AZHAYERKEGWXGC-OCCSQVGLSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001368663833 896054860 /nfs/dbraw/zinc/05/48/60/896054860.db2.gz FLKGJCMWBGHELY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC(N)=O ZINC001368654081 896056211 /nfs/dbraw/zinc/05/62/11/896056211.db2.gz NQZBWRUPQJRRJC-NWDGAFQWSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001369178903 896165460 /nfs/dbraw/zinc/16/54/60/896165460.db2.gz GGWBFQSDHJKHPU-FDYHWXHSSA-N 1 3 298.431 -0.055 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001369298256 896190248 /nfs/dbraw/zinc/19/02/48/896190248.db2.gz SKOSTFMRNQBKQB-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001369294950 896191233 /nfs/dbraw/zinc/19/12/33/896191233.db2.gz WCQGSBUULQMFQB-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369312477 896203943 /nfs/dbraw/zinc/20/39/43/896203943.db2.gz ZUXICFUHZNKASH-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369312477 896203957 /nfs/dbraw/zinc/20/39/57/896203957.db2.gz ZUXICFUHZNKASH-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001369438793 896270975 /nfs/dbraw/zinc/27/09/75/896270975.db2.gz CYSIXXWWJMYPDR-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001369438793 896270989 /nfs/dbraw/zinc/27/09/89/896270989.db2.gz CYSIXXWWJMYPDR-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001369565327 896319238 /nfs/dbraw/zinc/31/92/38/896319238.db2.gz RVHUCXUBPPXIOM-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001369584659 896322417 /nfs/dbraw/zinc/32/24/17/896322417.db2.gz DEGNZICRAJVEFX-RUXDESIVSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001370219916 896410494 /nfs/dbraw/zinc/41/04/94/896410494.db2.gz CLUWGTGTELALRG-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001370219928 896410224 /nfs/dbraw/zinc/41/02/24/896410224.db2.gz CLUWGTGTELALRG-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[NH+]1CCC(CC(=O)NC[C@H](NCC(N)=O)C2CC2)CC1 ZINC001370345646 896420870 /nfs/dbraw/zinc/42/08/70/896420870.db2.gz RMKUWVKMSDDJGA-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001370826683 896508666 /nfs/dbraw/zinc/50/86/66/896508666.db2.gz CXCWHIAXMLHNOS-TZMCWYRMSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001371015232 896533942 /nfs/dbraw/zinc/53/39/42/896533942.db2.gz PFLJOHIYNKJBBE-MLGHIDQZSA-N 1 3 294.399 -0.739 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001371015232 896533957 /nfs/dbraw/zinc/53/39/57/896533957.db2.gz PFLJOHIYNKJBBE-MLGHIDQZSA-N 1 3 294.399 -0.739 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371424408 896609898 /nfs/dbraw/zinc/60/98/98/896609898.db2.gz IBJIYAPOZZHYQM-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372267346 896760343 /nfs/dbraw/zinc/76/03/43/896760343.db2.gz NKXBAUPMDSTFQI-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001372319395 896771867 /nfs/dbraw/zinc/77/18/67/896771867.db2.gz WHFIMSDQBAMDNS-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651029 896831202 /nfs/dbraw/zinc/83/12/02/896831202.db2.gz NILDHDWBYXLZDX-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372953824 896911484 /nfs/dbraw/zinc/91/14/84/896911484.db2.gz ZPMOVPBNQRPVLN-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372953824 896911494 /nfs/dbraw/zinc/91/14/94/896911494.db2.gz ZPMOVPBNQRPVLN-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946263 896911814 /nfs/dbraw/zinc/91/18/14/896911814.db2.gz MCBAMLRDFIJLAF-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946263 896911822 /nfs/dbraw/zinc/91/18/22/896911822.db2.gz MCBAMLRDFIJLAF-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001372950321 896911913 /nfs/dbraw/zinc/91/19/13/896911913.db2.gz MAUJPKFBIKCNCE-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N1CC[C@H](NCCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001372948636 896913253 /nfs/dbraw/zinc/91/32/53/896913253.db2.gz PORAWRIAYDNHBG-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372953828 896913283 /nfs/dbraw/zinc/91/32/83/896913283.db2.gz ZPMOVPBNQRPVLN-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372953828 896913296 /nfs/dbraw/zinc/91/32/96/896913296.db2.gz ZPMOVPBNQRPVLN-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(CCCO)C2)CC1 ZINC001373607601 897072712 /nfs/dbraw/zinc/07/27/12/897072712.db2.gz VQVQYMOKRQUSGS-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001374271982 897199868 /nfs/dbraw/zinc/19/98/68/897199868.db2.gz RTJFJUCQAYYUDH-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374271406 897200581 /nfs/dbraw/zinc/20/05/81/897200581.db2.gz NBWRIZAGAHNSJW-FRRDWIJNSA-N 1 3 287.404 -0.476 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374282462 897205697 /nfs/dbraw/zinc/20/56/97/897205697.db2.gz PTTYIRZMQZDGEQ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374282462 897205710 /nfs/dbraw/zinc/20/57/10/897205710.db2.gz PTTYIRZMQZDGEQ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CN1CCCC1 ZINC001374324950 897209875 /nfs/dbraw/zinc/20/98/75/897209875.db2.gz GXWTXSJXASCTDD-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374312904 897211206 /nfs/dbraw/zinc/21/12/06/897211206.db2.gz MTEXBRJSQIPIIK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374312904 897211220 /nfs/dbraw/zinc/21/12/20/897211220.db2.gz MTEXBRJSQIPIIK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374963013 897443807 /nfs/dbraw/zinc/44/38/07/897443807.db2.gz ZRJJURWAAUNCPL-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374963013 897443814 /nfs/dbraw/zinc/44/38/14/897443814.db2.gz ZRJJURWAAUNCPL-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374960976 897444318 /nfs/dbraw/zinc/44/43/18/897444318.db2.gz GRUBQMIEPNCSER-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001375275432 897506262 /nfs/dbraw/zinc/50/62/62/897506262.db2.gz YLDQEBBWRKFQQH-NEPJUHHUSA-N 1 3 284.404 -0.443 20 0 CBADHO COCCN1CC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001375374998 897531781 /nfs/dbraw/zinc/53/17/81/897531781.db2.gz VJCRSCCYJDWZGE-KBPBESRZSA-N 1 3 299.415 -0.208 20 0 CBADHO CNC(=O)[C@@H](C)NC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375480133 897551814 /nfs/dbraw/zinc/55/18/14/897551814.db2.gz PDJDJGHFNDNOSO-VXGBXAGGSA-N 1 3 298.431 -0.055 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](N(CCO)CCO)C2)C1 ZINC001375624101 897576916 /nfs/dbraw/zinc/57/69/16/897576916.db2.gz XGEQNNYWALHSBG-KBPBESRZSA-N 1 3 299.415 -0.784 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](N(CCO)CCO)C2)C1 ZINC001375624101 897576924 /nfs/dbraw/zinc/57/69/24/897576924.db2.gz XGEQNNYWALHSBG-KBPBESRZSA-N 1 3 299.415 -0.784 20 0 CBADHO C[C@@H](N[C@@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242044 897694781 /nfs/dbraw/zinc/69/47/81/897694781.db2.gz DXHYDDCQZQMGDZ-KOLCDFICSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376334921 897713849 /nfs/dbraw/zinc/71/38/49/897713849.db2.gz BFIHCTXDWLXBGL-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376334921 897713863 /nfs/dbraw/zinc/71/38/63/897713863.db2.gz BFIHCTXDWLXBGL-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001376405712 897727683 /nfs/dbraw/zinc/72/76/83/897727683.db2.gz XCMCBKJXWSPNMM-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001376727985 897826065 /nfs/dbraw/zinc/82/60/65/897826065.db2.gz DQOOFDWMBXDETO-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001376727985 897826072 /nfs/dbraw/zinc/82/60/72/897826072.db2.gz DQOOFDWMBXDETO-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001376801020 897848901 /nfs/dbraw/zinc/84/89/01/897848901.db2.gz MHJPDMHLQDTLSC-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001376809563 897852314 /nfs/dbraw/zinc/85/23/14/897852314.db2.gz WBWNCPVBADWJCQ-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC1CC1 ZINC001376804583 897854294 /nfs/dbraw/zinc/85/42/94/897854294.db2.gz CWJXQSLXQGNHMO-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376907653 897887612 /nfs/dbraw/zinc/88/76/12/897887612.db2.gz FDFHMFRANAYWIZ-NWDGAFQWSA-N 1 3 282.388 -0.641 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376915885 897892026 /nfs/dbraw/zinc/89/20/26/897892026.db2.gz VHCSRJGQXVACKX-NSHDSACASA-N 1 3 270.377 -0.783 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001376952444 897899886 /nfs/dbraw/zinc/89/98/86/897899886.db2.gz FYOCUUQEIQTQKQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H]1CCNC1=O)[NH+](C)C ZINC001377588439 898099506 /nfs/dbraw/zinc/09/95/06/898099506.db2.gz ILLVCDPHRTXLKN-NEPJUHHUSA-N 1 3 284.404 -0.491 20 0 CBADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)N(C)C ZINC001377610904 898105111 /nfs/dbraw/zinc/10/51/11/898105111.db2.gz WIELKAQKSQBCSC-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001377713440 898121329 /nfs/dbraw/zinc/12/13/29/898121329.db2.gz XTSYKAMZOMGCLL-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001377734112 898125996 /nfs/dbraw/zinc/12/59/96/898125996.db2.gz QSTUUSGOAZCMEQ-UHFFFAOYSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377841292 898145770 /nfs/dbraw/zinc/14/57/70/898145770.db2.gz WCJDNJGFWMMZBB-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377844107 898147292 /nfs/dbraw/zinc/14/72/92/898147292.db2.gz WEYDZVLBPKWWFM-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CCN1CCNC1=O ZINC001378121511 898248243 /nfs/dbraw/zinc/24/82/43/898248243.db2.gz ISDVEPDTEHNXFX-LBPRGKRZSA-N 1 3 299.419 -0.600 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162590 898261808 /nfs/dbraw/zinc/26/18/08/898261808.db2.gz CJIGFMRJXXDWCC-STQMWFEESA-N 1 3 287.404 -0.522 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001378336615 898316984 /nfs/dbraw/zinc/31/69/84/898316984.db2.gz HXWZWMBBUCTCGY-MNOVXSKESA-N 1 3 272.393 -0.315 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001378394264 898328826 /nfs/dbraw/zinc/32/88/26/898328826.db2.gz CJGCWGZNRWLEEU-HCKVZZMMSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001378394264 898328845 /nfs/dbraw/zinc/32/88/45/898328845.db2.gz CJGCWGZNRWLEEU-HCKVZZMMSA-N 1 3 296.415 -0.314 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001378417393 898329950 /nfs/dbraw/zinc/32/99/50/898329950.db2.gz PKDKFUVGKGRYCL-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001378417393 898329964 /nfs/dbraw/zinc/32/99/64/898329964.db2.gz PKDKFUVGKGRYCL-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001378511987 898340643 /nfs/dbraw/zinc/34/06/43/898340643.db2.gz LAYJCIHYXWJXKX-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001378588497 898359398 /nfs/dbraw/zinc/35/93/98/898359398.db2.gz LZSNGSUOBHOVAZ-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001378588499 898360269 /nfs/dbraw/zinc/36/02/69/898360269.db2.gz LZSNGSUOBHOVAZ-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001378612767 898365712 /nfs/dbraw/zinc/36/57/12/898365712.db2.gz YIZFTAPFTUPAPU-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001378805635 898412508 /nfs/dbraw/zinc/41/25/08/898412508.db2.gz CNVIYTXOWSHCTH-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001378894729 898429798 /nfs/dbraw/zinc/42/97/98/898429798.db2.gz GMKUHCBQDMJMPB-JQWIXIFHSA-N 1 3 293.371 -0.475 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001454740237 914253870 /nfs/dbraw/zinc/25/38/70/914253870.db2.gz OGEJWZOIKFNUBK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379291581 898541015 /nfs/dbraw/zinc/54/10/15/898541015.db2.gz XVHQJYYZAYKDOM-DGCLKSJQSA-N 1 3 286.420 -0.245 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001379413527 898608492 /nfs/dbraw/zinc/60/84/92/898608492.db2.gz HSVAUMKSURCIRX-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001379471081 898628142 /nfs/dbraw/zinc/62/81/42/898628142.db2.gz ZZEVBCKPXXCCBW-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001379549051 898664364 /nfs/dbraw/zinc/66/43/64/898664364.db2.gz AGCXQFORHQNIIU-FRRDWIJNSA-N 1 3 287.404 -0.570 20 0 CBADHO CC(C)(C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)N1CCCC1 ZINC001379894192 898754237 /nfs/dbraw/zinc/75/42/37/898754237.db2.gz HPSKDRZHUUNPQP-LBPRGKRZSA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001381340133 899033057 /nfs/dbraw/zinc/03/30/57/899033057.db2.gz QRGUHURNIOSQAK-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001381425233 899044763 /nfs/dbraw/zinc/04/47/63/899044763.db2.gz YMFNUUBHJWMUKB-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001381425240 899046584 /nfs/dbraw/zinc/04/65/84/899046584.db2.gz YMFNUUBHJWMUKB-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437060 899048896 /nfs/dbraw/zinc/04/88/96/899048896.db2.gz KPKGMKNGNPMUNP-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001381975892 899140775 /nfs/dbraw/zinc/14/07/75/899140775.db2.gz ZYQMWZFISGIXBA-CYDGBPFRSA-N 1 3 298.431 -0.069 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028299 899144270 /nfs/dbraw/zinc/14/42/70/899144270.db2.gz CEAREZGIBLXCDA-DGCLKSJQSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N(C)C1CC1 ZINC001382110608 899156041 /nfs/dbraw/zinc/15/60/41/899156041.db2.gz GDJPGKDNAWXSOA-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001382112388 899160946 /nfs/dbraw/zinc/16/09/46/899160946.db2.gz LRPBYNSHRJGQSC-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382152744 899167801 /nfs/dbraw/zinc/16/78/01/899167801.db2.gz MJGOXMSHSJWTQN-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382152744 899167810 /nfs/dbraw/zinc/16/78/10/899167810.db2.gz MJGOXMSHSJWTQN-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(N)=O ZINC001382169706 899169511 /nfs/dbraw/zinc/16/95/11/899169511.db2.gz WRJRPQBQHADUAX-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001382302410 899239163 /nfs/dbraw/zinc/23/91/63/899239163.db2.gz JGGQTCUPHRLBTF-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001455396580 914357035 /nfs/dbraw/zinc/35/70/35/914357035.db2.gz VXZBDIOZUPZGKS-UHFFFAOYSA-N 1 3 295.387 -0.213 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001387819994 899833805 /nfs/dbraw/zinc/83/38/05/899833805.db2.gz NQSVAYOHNGBADH-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001389609941 900050865 /nfs/dbraw/zinc/05/08/65/900050865.db2.gz QPEFJANVTASXNH-ZWNOBZJWSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001389693862 900058868 /nfs/dbraw/zinc/05/88/68/900058868.db2.gz QWLNADARUQPQKV-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001389771297 900068958 /nfs/dbraw/zinc/06/89/58/900068958.db2.gz GGBQUVDROMXJBK-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001389815674 900078882 /nfs/dbraw/zinc/07/88/82/900078882.db2.gz HEAHKPXUXHNQPK-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001390367811 900147961 /nfs/dbraw/zinc/14/79/61/900147961.db2.gz MHPREPLCUZOMHU-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001390367860 900148232 /nfs/dbraw/zinc/14/82/32/900148232.db2.gz MHPREPLCUZOMHU-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001390393109 900150130 /nfs/dbraw/zinc/15/01/30/900150130.db2.gz CSSHZTKUJLOQNE-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001390391149 900150942 /nfs/dbraw/zinc/15/09/42/900150942.db2.gz ABLLKDAUYOPJHP-YPMHNXCESA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001390391149 900150946 /nfs/dbraw/zinc/15/09/46/900150946.db2.gz ABLLKDAUYOPJHP-YPMHNXCESA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NC)C1 ZINC001390458540 900168120 /nfs/dbraw/zinc/16/81/20/900168120.db2.gz NJCXEPDOCGYDBS-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NC)C1 ZINC001390458540 900168131 /nfs/dbraw/zinc/16/81/31/900168131.db2.gz NJCXEPDOCGYDBS-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001390477650 900170775 /nfs/dbraw/zinc/17/07/75/900170775.db2.gz WOVMVRSFCGGATH-NSHDSACASA-N 1 3 286.420 -0.053 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522587 900181277 /nfs/dbraw/zinc/18/12/77/900181277.db2.gz RWHGUZNHGRCLPF-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522587 900181282 /nfs/dbraw/zinc/18/12/82/900181282.db2.gz RWHGUZNHGRCLPF-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390550694 900187008 /nfs/dbraw/zinc/18/70/08/900187008.db2.gz IISOMSFUOMORQG-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1cnnn1C ZINC001390647552 900204152 /nfs/dbraw/zinc/20/41/52/900204152.db2.gz QDIKXOFROYSHCV-AAEUAGOBSA-N 1 3 294.403 -0.106 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001391220296 900341862 /nfs/dbraw/zinc/34/18/62/900341862.db2.gz MOAYVXIMMNFJKP-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001391223511 900342725 /nfs/dbraw/zinc/34/27/25/900342725.db2.gz GPYYEQZURIFZPU-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001391223648 900344067 /nfs/dbraw/zinc/34/40/67/900344067.db2.gz BDXZBCSYICHKBD-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001391563581 900411037 /nfs/dbraw/zinc/41/10/37/900411037.db2.gz RNKYWSPMZMLAPU-IHRRRGAJSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001391563581 900411045 /nfs/dbraw/zinc/41/10/45/900411045.db2.gz RNKYWSPMZMLAPU-IHRRRGAJSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001392103979 900511787 /nfs/dbraw/zinc/51/17/87/900511787.db2.gz WBKOTEGUEBDLKK-NSHDSACASA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CCC[NH+](C)C ZINC001392099526 900512475 /nfs/dbraw/zinc/51/24/75/900512475.db2.gz HRWMFQGKURZRSJ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001392125323 900519824 /nfs/dbraw/zinc/51/98/24/900519824.db2.gz WRAIJWFMKZKQAT-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001392125323 900519835 /nfs/dbraw/zinc/51/98/35/900519835.db2.gz WRAIJWFMKZKQAT-GHMZBOCLSA-N 1 3 272.393 -0.362 20 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/nfs/dbraw/zinc/67/38/38/900673838.db2.gz SMQBKZUTKNATMI-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001392602779 900673850 /nfs/dbraw/zinc/67/38/50/900673850.db2.gz SMQBKZUTKNATMI-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001392760982 900718944 /nfs/dbraw/zinc/71/89/44/900718944.db2.gz ALDDAWDATIBAAU-GWCFXTLKSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791150 900728119 /nfs/dbraw/zinc/72/81/19/900728119.db2.gz DKSZUQXWGUGNDH-PWSUYJOCSA-N 1 3 282.388 -0.702 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(N)=O)CC1 ZINC001392905935 900758129 /nfs/dbraw/zinc/75/81/29/900758129.db2.gz GQYDVERDGZXQGW-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(N)=O)CC1 ZINC001392905935 900758134 /nfs/dbraw/zinc/75/81/34/900758134.db2.gz GQYDVERDGZXQGW-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060616 900785800 /nfs/dbraw/zinc/78/58/00/900785800.db2.gz ZLNBHJNVRREQAY-NWDGAFQWSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001393747039 900903585 /nfs/dbraw/zinc/90/35/85/900903585.db2.gz VYWMPIXNNIZNDN-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001393815528 900912672 /nfs/dbraw/zinc/91/26/72/900912672.db2.gz KFYZGHGYCGLDGD-SDDRHHMPSA-N 1 3 286.420 -0.069 20 0 CBADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001393905249 900929700 /nfs/dbraw/zinc/92/97/00/900929700.db2.gz BHFGYYTWENXFDU-HTAVTVPLSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(N)=O ZINC001394540941 901046341 /nfs/dbraw/zinc/04/63/41/901046341.db2.gz RBMONAROMVICTM-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001394563812 901054200 /nfs/dbraw/zinc/05/42/00/901054200.db2.gz CAVLPHHBBOBHOY-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCCC1 ZINC001394667294 901114894 /nfs/dbraw/zinc/11/48/94/901114894.db2.gz IJYAOPUIXCLPMF-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCCC1 ZINC001394667300 901116279 /nfs/dbraw/zinc/11/62/79/901116279.db2.gz IJYAOPUIXCLPMF-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670527 901116392 /nfs/dbraw/zinc/11/63/92/901116392.db2.gz OBRQOQWTFFXYJA-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001397763763 901451318 /nfs/dbraw/zinc/45/13/18/901451318.db2.gz CTAJZCIZNSNFNP-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001397930455 901478818 /nfs/dbraw/zinc/47/88/18/901478818.db2.gz WHTNRVJYXMVGDZ-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001397930455 901478825 /nfs/dbraw/zinc/47/88/25/901478825.db2.gz WHTNRVJYXMVGDZ-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001398444676 901540015 /nfs/dbraw/zinc/54/00/15/901540015.db2.gz HSCIKZDGYIPGIP-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001398534090 901550489 /nfs/dbraw/zinc/55/04/89/901550489.db2.gz SVIQHNLADCKCRH-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001398534090 901550505 /nfs/dbraw/zinc/55/05/05/901550505.db2.gz SVIQHNLADCKCRH-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398536531 901554095 /nfs/dbraw/zinc/55/40/95/901554095.db2.gz REKSQWBOZLZAHS-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398536531 901554102 /nfs/dbraw/zinc/55/41/02/901554102.db2.gz REKSQWBOZLZAHS-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398536538 901554254 /nfs/dbraw/zinc/55/42/54/901554254.db2.gz REKSQWBOZLZAHS-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398536538 901554257 /nfs/dbraw/zinc/55/42/57/901554257.db2.gz REKSQWBOZLZAHS-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001398553936 901557432 /nfs/dbraw/zinc/55/74/32/901557432.db2.gz LIFGBAARVDOOHS-IJLUTSLNSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCN(C)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001398657873 901585303 /nfs/dbraw/zinc/58/53/03/901585303.db2.gz YBMRCSQARBHONN-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001398673344 901586972 /nfs/dbraw/zinc/58/69/72/901586972.db2.gz UCXUXUHMRBDHOY-XQHKEYJVSA-N 1 3 296.415 -0.302 20 0 CBADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001398694253 901590571 /nfs/dbraw/zinc/59/05/71/901590571.db2.gz QCWVIWSRCJTOCD-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001398982837 901645572 /nfs/dbraw/zinc/64/55/72/901645572.db2.gz QRDCZUUUGUUQNU-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001399035976 901654409 /nfs/dbraw/zinc/65/44/09/901654409.db2.gz OOQUYBFSSDGLDI-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001399047742 901655453 /nfs/dbraw/zinc/65/54/53/901655453.db2.gz WKAYZASSJURIKF-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399122329 901669380 /nfs/dbraw/zinc/66/93/80/901669380.db2.gz QXDWMCZAIOFNEP-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399122329 901669388 /nfs/dbraw/zinc/66/93/88/901669388.db2.gz 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ZINC001399486722 901732971 /nfs/dbraw/zinc/73/29/71/901732971.db2.gz QIZOFGIAZSNIDD-JHJVBQTASA-N 1 3 287.404 -0.618 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399486722 901732983 /nfs/dbraw/zinc/73/29/83/901732983.db2.gz QIZOFGIAZSNIDD-JHJVBQTASA-N 1 3 287.404 -0.618 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001400054849 901866756 /nfs/dbraw/zinc/86/67/56/901866756.db2.gz MQBNKGNCQHGIHH-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001400054849 901866765 /nfs/dbraw/zinc/86/67/65/901866765.db2.gz MQBNKGNCQHGIHH-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(N)=O ZINC001400066617 901869684 /nfs/dbraw/zinc/86/96/84/901869684.db2.gz HKTFJPCNKSCABP-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001400063734 901871718 /nfs/dbraw/zinc/87/17/18/901871718.db2.gz FYDRHLSJKSPXRV-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(N)=O ZINC001400066689 901871744 /nfs/dbraw/zinc/87/17/44/901871744.db2.gz HKTFJPCNKSCABP-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001400066028 901872087 /nfs/dbraw/zinc/87/20/87/901872087.db2.gz NGTWYXXSEMBQKW-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001400066028 901872093 /nfs/dbraw/zinc/87/20/93/901872093.db2.gz NGTWYXXSEMBQKW-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001400873379 902034032 /nfs/dbraw/zinc/03/40/32/902034032.db2.gz ZRXHHPCGBJMFIY-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401117668 902059254 /nfs/dbraw/zinc/05/92/54/902059254.db2.gz WRLRDSJEIYQKCI-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401245522 902091578 /nfs/dbraw/zinc/09/15/78/902091578.db2.gz PYTGKICRCZVNBT-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001401246212 902091643 /nfs/dbraw/zinc/09/16/43/902091643.db2.gz XXYMMBOLEXYZEU-RYUDHWBXSA-N 1 3 286.420 -0.149 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001401265017 902097080 /nfs/dbraw/zinc/09/70/80/902097080.db2.gz YDQMNMPQDMEENQ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001401265017 902097090 /nfs/dbraw/zinc/09/70/90/902097090.db2.gz YDQMNMPQDMEENQ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001401255590 902097138 /nfs/dbraw/zinc/09/71/38/902097138.db2.gz HKOHUXNHBHKBOL-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401435010 902122178 /nfs/dbraw/zinc/12/21/78/902122178.db2.gz GWVPDMWVOQMRNS-OLZOCXBDSA-N 1 3 287.404 -0.664 20 0 CBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401435010 902122183 /nfs/dbraw/zinc/12/21/83/902122183.db2.gz GWVPDMWVOQMRNS-OLZOCXBDSA-N 1 3 287.404 -0.664 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001401605503 902184379 /nfs/dbraw/zinc/18/43/79/902184379.db2.gz PSVNRCMXERXYHR-WDEREUQCSA-N 1 3 272.393 -0.315 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001401685226 902230483 /nfs/dbraw/zinc/23/04/83/902230483.db2.gz JWEMEGUTHMKYIG-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402314233 902421662 /nfs/dbraw/zinc/42/16/62/902421662.db2.gz LQWPWMFQUDFWAW-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402314233 902421670 /nfs/dbraw/zinc/42/16/70/902421670.db2.gz LQWPWMFQUDFWAW-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402314220 902422309 /nfs/dbraw/zinc/42/23/09/902422309.db2.gz LQWPWMFQUDFWAW-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402314220 902422314 /nfs/dbraw/zinc/42/23/14/902422314.db2.gz LQWPWMFQUDFWAW-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001402546742 902476500 /nfs/dbraw/zinc/47/65/00/902476500.db2.gz FCFXZLKDNPYHTR-AVGNSLFASA-N 1 3 287.404 -0.429 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001402647432 902496955 /nfs/dbraw/zinc/49/69/55/902496955.db2.gz XEYJUZBRTITBAD-TXEJJXNPSA-N 1 3 294.403 -0.108 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402645099 902498979 /nfs/dbraw/zinc/49/89/79/902498979.db2.gz NHASUJAEDRYOHH-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)[C@@H](C)C1 ZINC001402799542 902521743 /nfs/dbraw/zinc/52/17/43/902521743.db2.gz ZHTJYPNHFLSKFY-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)[C@@H](C)C1 ZINC001402799542 902521750 /nfs/dbraw/zinc/52/17/50/902521750.db2.gz ZHTJYPNHFLSKFY-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N1CCC1 ZINC001402801713 902522382 /nfs/dbraw/zinc/52/23/82/902522382.db2.gz ZQDYHZJDESTXCC-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)N(C)C ZINC001402824844 902529107 /nfs/dbraw/zinc/52/91/07/902529107.db2.gz XHNPYGMTXNLFSZ-AVGNSLFASA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001402858190 902543042 /nfs/dbraw/zinc/54/30/42/902543042.db2.gz CJQRZLFMSGQUIE-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402908701 902560378 /nfs/dbraw/zinc/56/03/78/902560378.db2.gz QAFWVZOAQHTZTR-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402908701 902560387 /nfs/dbraw/zinc/56/03/87/902560387.db2.gz QAFWVZOAQHTZTR-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001402918715 902561541 /nfs/dbraw/zinc/56/15/41/902561541.db2.gz FCQYNFQISXKTPF-UHFFFAOYSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001403032687 902599468 /nfs/dbraw/zinc/59/94/68/902599468.db2.gz JHGRJCFVOFIEMD-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042204 902599698 /nfs/dbraw/zinc/59/96/98/902599698.db2.gz IOKLWPUTUWHHRS-CMPLNLGQSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001403040621 902599827 /nfs/dbraw/zinc/59/98/27/902599827.db2.gz JOGSIKYMYOJVTJ-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001403075483 902607379 /nfs/dbraw/zinc/60/73/79/902607379.db2.gz KPAQRVQETLENFL-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001403075483 902607392 /nfs/dbraw/zinc/60/73/92/902607392.db2.gz KPAQRVQETLENFL-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403074560 902608439 /nfs/dbraw/zinc/60/84/39/902608439.db2.gz YARGQVBZBBXLLC-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001403145695 902627611 /nfs/dbraw/zinc/62/76/11/902627611.db2.gz UWNQTCYEPRJWDK-GXSJLCMTSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001403145695 902627617 /nfs/dbraw/zinc/62/76/17/902627617.db2.gz UWNQTCYEPRJWDK-GXSJLCMTSA-N 1 3 280.376 -0.341 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001403215402 902651110 /nfs/dbraw/zinc/65/11/10/902651110.db2.gz VJUAVPMZLJQTRY-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001403413980 902683368 /nfs/dbraw/zinc/68/33/68/902683368.db2.gz JQHJIIQKUGRCFL-ZYHUDNBSSA-N 1 3 282.344 -0.850 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001403427983 902687083 /nfs/dbraw/zinc/68/70/83/902687083.db2.gz SWDMMCPYDYCCRD-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446899 902691876 /nfs/dbraw/zinc/69/18/76/902691876.db2.gz QDUFBFWVIOLCFZ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446901 902692890 /nfs/dbraw/zinc/69/28/90/902692890.db2.gz QDUFBFWVIOLCFZ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001403583280 902740505 /nfs/dbraw/zinc/74/05/05/902740505.db2.gz JTJJKLQFALYHHN-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001403594721 902741328 /nfs/dbraw/zinc/74/13/28/902741328.db2.gz JBQKNYCPUDEEMR-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001403594721 902741334 /nfs/dbraw/zinc/74/13/34/902741334.db2.gz JBQKNYCPUDEEMR-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001404012230 902926497 /nfs/dbraw/zinc/92/64/97/902926497.db2.gz BPXMXNAXYJNBOS-HIFPTAJRSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001404329825 902972583 /nfs/dbraw/zinc/97/25/83/902972583.db2.gz RPXMVMOBFHUYTB-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329525 902972762 /nfs/dbraw/zinc/97/27/62/902972762.db2.gz TXFHHKKLIPJCEZ-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329525 902972773 /nfs/dbraw/zinc/97/27/73/902972773.db2.gz TXFHHKKLIPJCEZ-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001458769795 914679223 /nfs/dbraw/zinc/67/92/23/914679223.db2.gz RJSWPNKVGWVDJB-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001404429195 902982896 /nfs/dbraw/zinc/98/28/96/902982896.db2.gz BVBZFFVMUBRWSA-LBPRGKRZSA-N 1 3 294.399 -0.639 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001404519092 902995938 /nfs/dbraw/zinc/99/59/38/902995938.db2.gz PBPUVLVIPZYJBT-QWHCGFSZSA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001404519092 902995943 /nfs/dbraw/zinc/99/59/43/902995943.db2.gz PBPUVLVIPZYJBT-QWHCGFSZSA-N 1 3 296.415 -0.358 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404917866 903053861 /nfs/dbraw/zinc/05/38/61/903053861.db2.gz DAPCAWXHCFTIIO-GXTWGEPZSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404917866 903053868 /nfs/dbraw/zinc/05/38/68/903053868.db2.gz DAPCAWXHCFTIIO-GXTWGEPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001458815312 914682966 /nfs/dbraw/zinc/68/29/66/914682966.db2.gz HABLLZHWPUQWSD-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001405304996 903141708 /nfs/dbraw/zinc/14/17/08/903141708.db2.gz MYUXHDIKEWIONM-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC ZINC001405298330 903142036 /nfs/dbraw/zinc/14/20/36/903142036.db2.gz JETTZKGGCUQYTC-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]CC(N)=O ZINC001405362290 903155541 /nfs/dbraw/zinc/15/55/41/903155541.db2.gz GFYXYYXTLRKWGE-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)(C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001405591569 903182757 /nfs/dbraw/zinc/18/27/57/903182757.db2.gz FJKUCYZOKBNDSV-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001405824514 903228754 /nfs/dbraw/zinc/22/87/54/903228754.db2.gz ZCXWPQUDUVZKCG-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001405824514 903228766 /nfs/dbraw/zinc/22/87/66/903228766.db2.gz ZCXWPQUDUVZKCG-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001405834001 903231979 /nfs/dbraw/zinc/23/19/79/903231979.db2.gz MQWSSEVZQXSKCV-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405846622 903234191 /nfs/dbraw/zinc/23/41/91/903234191.db2.gz CSIHDHLCSDEJRO-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001405849890 903237180 /nfs/dbraw/zinc/23/71/80/903237180.db2.gz OPKGHHDLRHULQE-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875438 903240902 /nfs/dbraw/zinc/24/09/02/903240902.db2.gz UEOKWVILAWLJFR-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875509 903243396 /nfs/dbraw/zinc/24/33/96/903243396.db2.gz VALHBUKWMGRHKM-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001406060627 903259547 /nfs/dbraw/zinc/25/95/47/903259547.db2.gz CLGINTDEQUGSLV-GHMZBOCLSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001406060627 903259558 /nfs/dbraw/zinc/25/95/58/903259558.db2.gz CLGINTDEQUGSLV-GHMZBOCLSA-N 1 3 270.377 -0.846 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406301044 903347851 /nfs/dbraw/zinc/34/78/51/903347851.db2.gz ADCSSRBBMGSKOR-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406301044 903347854 /nfs/dbraw/zinc/34/78/54/903347854.db2.gz ADCSSRBBMGSKOR-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC[NH+](C)C ZINC001406334846 903359551 /nfs/dbraw/zinc/35/95/51/903359551.db2.gz WAMCZIQKJFRTIS-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001406326702 903360720 /nfs/dbraw/zinc/36/07/20/903360720.db2.gz MRGCQKRLZLJTNC-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406393583 903385693 /nfs/dbraw/zinc/38/56/93/903385693.db2.gz QMFURWQETAAVDB-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001406405062 903389838 /nfs/dbraw/zinc/38/98/38/903389838.db2.gz LAHLMNKXICCVCS-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO C[NH+]1CCC(C(=O)NCC2(NCC(N)=O)CCC2)CC1 ZINC001407797989 903662529 /nfs/dbraw/zinc/66/25/29/903662529.db2.gz LLFGYZCSZPGJOU-UHFFFAOYSA-N 1 3 282.388 -0.558 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001407831138 903665729 /nfs/dbraw/zinc/66/57/29/903665729.db2.gz PQYQKYIVSNMRMG-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001407831138 903665732 /nfs/dbraw/zinc/66/57/32/903665732.db2.gz PQYQKYIVSNMRMG-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001407831143 903665999 /nfs/dbraw/zinc/66/59/99/903665999.db2.gz PQYQKYIVSNMRMG-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001407831143 903666007 /nfs/dbraw/zinc/66/60/07/903666007.db2.gz PQYQKYIVSNMRMG-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001408200149 903728403 /nfs/dbraw/zinc/72/84/03/903728403.db2.gz YXJOCXVQHMQGMI-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001408212242 903732652 /nfs/dbraw/zinc/73/26/52/903732652.db2.gz PQSHEYBIHCZOQR-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CCn1cncn1 ZINC001409618159 903943317 /nfs/dbraw/zinc/94/33/17/903943317.db2.gz BVLNUUOTMVYYTK-LBPRGKRZSA-N 1 3 282.392 -0.334 20 0 CBADHO CCCC[C@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001409851478 903974406 /nfs/dbraw/zinc/97/44/06/903974406.db2.gz TXJFNDDRSBDZJL-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001409945868 903984449 /nfs/dbraw/zinc/98/44/49/903984449.db2.gz PTYSXUQXBAHCFA-WCQYABFASA-N 1 3 287.404 -0.618 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001410211874 904044786 /nfs/dbraw/zinc/04/47/86/904044786.db2.gz PXGAIGQOWBSFDO-DDHJBXDOSA-N 1 3 284.404 -0.315 20 0 CBADHO CNC(=O)CN(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410245610 904051655 /nfs/dbraw/zinc/05/16/55/904051655.db2.gz BKWSCNKFXSVSRQ-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CC(C)[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001410335361 904071364 /nfs/dbraw/zinc/07/13/64/904071364.db2.gz UZMLGVHZAXMMAN-TZMCWYRMSA-N 1 3 298.431 -0.116 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001410430984 904097871 /nfs/dbraw/zinc/09/78/71/904097871.db2.gz GWXKPTVNEAREOG-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001410526826 904112316 /nfs/dbraw/zinc/11/23/16/904112316.db2.gz XUOYZWSQLFPNFI-GHMZBOCLSA-N 1 3 272.393 -0.363 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCOC2)CCC1 ZINC001410652233 904149898 /nfs/dbraw/zinc/14/98/98/904149898.db2.gz JDLVKZHITVPNQZ-OLZOCXBDSA-N 1 3 299.415 -0.426 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867359 904198662 /nfs/dbraw/zinc/19/86/62/904198662.db2.gz PTEUTXWJFQHRBZ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867317 904199124 /nfs/dbraw/zinc/19/91/24/904199124.db2.gz PTEUTXWJFQHRBZ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO COCC[N@H+](CCNC(=O)[C@@H]1CCCN1C)C[C@@H](C)O ZINC001411213303 904262531 /nfs/dbraw/zinc/26/25/31/904262531.db2.gz FOUNOMRFKVDCTH-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO COCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C[C@@H](C)O ZINC001411213303 904262538 /nfs/dbraw/zinc/26/25/38/904262538.db2.gz FOUNOMRFKVDCTH-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417991647 906130497 /nfs/dbraw/zinc/13/04/97/906130497.db2.gz ANDSDHOLQUMBKD-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001418007893 906134107 /nfs/dbraw/zinc/13/41/07/906134107.db2.gz BXGZWFFUCJGOAQ-CMPLNLGQSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001418007893 906134118 /nfs/dbraw/zinc/13/41/18/906134118.db2.gz BXGZWFFUCJGOAQ-CMPLNLGQSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001418044174 906144804 /nfs/dbraw/zinc/14/48/04/906144804.db2.gz NZNYATGJFHNJNE-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418044688 906145214 /nfs/dbraw/zinc/14/52/14/906145214.db2.gz UUJFDNWYEBPNLN-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001418052099 906147673 /nfs/dbraw/zinc/14/76/73/906147673.db2.gz VDGBOBVIDWPAJF-OLZOCXBDSA-N 1 3 298.431 -0.006 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001418061274 906154814 /nfs/dbraw/zinc/15/48/14/906154814.db2.gz ADVKWRJFYNTXBX-CKYFFXLPSA-N 1 3 270.377 -0.705 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418108283 906172670 /nfs/dbraw/zinc/17/26/70/906172670.db2.gz HIEIEDHTZZFBBW-TXEJJXNPSA-N 1 3 284.404 -0.347 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418144390 906179282 /nfs/dbraw/zinc/17/92/82/906179282.db2.gz NZGVSHVXRIBGLB-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001418232072 906228108 /nfs/dbraw/zinc/22/81/08/906228108.db2.gz BRKQOXIHIZKKHH-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269915 906249790 /nfs/dbraw/zinc/24/97/90/906249790.db2.gz SWEIDAPROGBMNB-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001418264841 906250402 /nfs/dbraw/zinc/25/04/02/906250402.db2.gz DGOZHFBVYZALOV-CMPLNLGQSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001418284014 906258936 /nfs/dbraw/zinc/25/89/36/906258936.db2.gz ZOVRYWAEKQHRQS-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418825939 906488966 /nfs/dbraw/zinc/48/89/66/906488966.db2.gz IKJBGMBRCPQHTR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418825939 906488973 /nfs/dbraw/zinc/48/89/73/906488973.db2.gz IKJBGMBRCPQHTR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001418833355 906490484 /nfs/dbraw/zinc/49/04/84/906490484.db2.gz UPGWTKRRKSIKSO-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001418833355 906490503 /nfs/dbraw/zinc/49/05/03/906490503.db2.gz UPGWTKRRKSIKSO-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418899084 906507366 /nfs/dbraw/zinc/50/73/66/906507366.db2.gz ASSRMDQGLAPMTC-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905465 906508051 /nfs/dbraw/zinc/50/80/51/906508051.db2.gz SCWAUKVVZYRSRT-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419190766 906632865 /nfs/dbraw/zinc/63/28/65/906632865.db2.gz FMFFRXXYBHWZNG-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001419214550 906639979 /nfs/dbraw/zinc/63/99/79/906639979.db2.gz DEDBJGBULCUETR-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO NC(=O)CN[C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001419251658 906653648 /nfs/dbraw/zinc/65/36/48/906653648.db2.gz JGERCUPWAPNVOE-GFCCVEGCSA-N 1 3 294.399 -0.416 20 0 CBADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001419465066 906695067 /nfs/dbraw/zinc/69/50/67/906695067.db2.gz DDYZTOGIXOMTFM-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001419476693 906701329 /nfs/dbraw/zinc/70/13/29/906701329.db2.gz UQOKZYBVJUEVNB-TXEJJXNPSA-N 1 3 296.415 -0.156 20 0 CBADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001419603482 906740387 /nfs/dbraw/zinc/74/03/87/906740387.db2.gz YKNPOQHULGVVHR-ZDUSSCGKSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001419680282 906764471 /nfs/dbraw/zinc/76/44/71/906764471.db2.gz FSSADUPVGBVBKT-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001419693991 906767972 /nfs/dbraw/zinc/76/79/72/906767972.db2.gz AEFMLSOLEGPWNU-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001419736746 906793365 /nfs/dbraw/zinc/79/33/65/906793365.db2.gz ALPJQOQCAYKAAB-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001419736746 906793374 /nfs/dbraw/zinc/79/33/74/906793374.db2.gz ALPJQOQCAYKAAB-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001419831501 906828827 /nfs/dbraw/zinc/82/88/27/906828827.db2.gz GNPCTTZPWJZKGY-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC[NH+](C)C ZINC001419838490 906833554 /nfs/dbraw/zinc/83/35/54/906833554.db2.gz ONTLWPJGQUXGCL-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001419909072 906853509 /nfs/dbraw/zinc/85/35/09/906853509.db2.gz QHBPOLNDWQMNTI-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419965600 906879045 /nfs/dbraw/zinc/87/90/45/906879045.db2.gz JSDAPXXMWLMDGP-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420013631 906902136 /nfs/dbraw/zinc/90/21/36/906902136.db2.gz XJYQPPAZZHPVNI-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001420116196 906951181 /nfs/dbraw/zinc/95/11/81/906951181.db2.gz XTGGAOCZBPZSRT-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001420299933 907087147 /nfs/dbraw/zinc/08/71/47/907087147.db2.gz MPCCKIKIPWPVCK-WOPDTQHZSA-N 1 3 286.420 -0.069 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001420336426 907109329 /nfs/dbraw/zinc/10/93/29/907109329.db2.gz AGCXQFORHQNIIU-XQQFMLRXSA-N 1 3 287.404 -0.570 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420424043 907154124 /nfs/dbraw/zinc/15/41/24/907154124.db2.gz OSXWTMFSQHWNDS-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420424043 907154141 /nfs/dbraw/zinc/15/41/41/907154141.db2.gz OSXWTMFSQHWNDS-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420457214 907171310 /nfs/dbraw/zinc/17/13/10/907171310.db2.gz IMZRXLWEFGSBRG-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001420726567 907283114 /nfs/dbraw/zinc/28/31/14/907283114.db2.gz MLOBPLYJFVNAPG-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H](C)C(N)=O)[NH+](C)C ZINC001420735533 907288507 /nfs/dbraw/zinc/28/85/07/907288507.db2.gz AYSWIRNXJDYDGW-MNOVXSKESA-N 1 3 272.393 -0.506 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001420736804 907290749 /nfs/dbraw/zinc/29/07/49/907290749.db2.gz MMHBRDVFZKXLBJ-YNEHKIRRSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001420736804 907290767 /nfs/dbraw/zinc/29/07/67/907290767.db2.gz MMHBRDVFZKXLBJ-YNEHKIRRSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001420788389 907297274 /nfs/dbraw/zinc/29/72/74/907297274.db2.gz CMPRXCBVWLHSMB-YPMHNXCESA-N 1 3 284.404 -0.458 20 0 CBADHO CN(CC(N)=O)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001420950143 907370099 /nfs/dbraw/zinc/37/00/99/907370099.db2.gz NWEQTJCSCPGLJY-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026408 921319708 /nfs/dbraw/zinc/31/97/08/921319708.db2.gz QOVJHACJVRWPQT-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001502026408 921319718 /nfs/dbraw/zinc/31/97/18/921319718.db2.gz QOVJHACJVRWPQT-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001421356385 907507204 /nfs/dbraw/zinc/50/72/04/907507204.db2.gz ZHBGFFKCDCJYNA-HIFRSBDPSA-N 1 3 299.415 -0.596 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421356385 907507215 /nfs/dbraw/zinc/50/72/15/907507215.db2.gz ZHBGFFKCDCJYNA-HIFRSBDPSA-N 1 3 299.415 -0.596 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001502061218 921329635 /nfs/dbraw/zinc/32/96/35/921329635.db2.gz VIUNVSCMJXTCOV-OLZOCXBDSA-N 1 3 287.404 -0.618 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCC(N)=O ZINC001421421374 907537525 /nfs/dbraw/zinc/53/75/25/907537525.db2.gz NQGJKXUUHPHUJA-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCC(N)=O ZINC001421421374 907537547 /nfs/dbraw/zinc/53/75/47/907537547.db2.gz NQGJKXUUHPHUJA-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)N(C)C ZINC001421472714 907559680 /nfs/dbraw/zinc/55/96/80/907559680.db2.gz QCBXUWRHTAIWNR-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)N(C)C ZINC001421472718 907559935 /nfs/dbraw/zinc/55/99/35/907559935.db2.gz QCBXUWRHTAIWNR-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001502092462 921334674 /nfs/dbraw/zinc/33/46/74/921334674.db2.gz PEGKGAUASLSXCZ-RYUDHWBXSA-N 1 3 273.352 -0.275 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001502092462 921334686 /nfs/dbraw/zinc/33/46/86/921334686.db2.gz PEGKGAUASLSXCZ-RYUDHWBXSA-N 1 3 273.352 -0.275 20 0 CBADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)N(C)C ZINC001421603532 907591430 /nfs/dbraw/zinc/59/14/30/907591430.db2.gz QAPJXYQDFPFROE-IJLUTSLNSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001421659553 907604972 /nfs/dbraw/zinc/60/49/72/907604972.db2.gz SLPYUARCSZHKME-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001421748716 907633328 /nfs/dbraw/zinc/63/33/28/907633328.db2.gz JECYYBSZXXZROX-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001421757859 907636249 /nfs/dbraw/zinc/63/62/49/907636249.db2.gz WGWBFFDFWVBTHJ-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421996815 907699448 /nfs/dbraw/zinc/69/94/48/907699448.db2.gz XESDDAMMNAXMIG-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421996815 907699462 /nfs/dbraw/zinc/69/94/62/907699462.db2.gz XESDDAMMNAXMIG-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)N(C)C ZINC001422040618 907706307 /nfs/dbraw/zinc/70/63/07/907706307.db2.gz JKDMDYWQHHRBHU-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001422128102 907719887 /nfs/dbraw/zinc/71/98/87/907719887.db2.gz BQPLCDQUPFHNJK-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001422135757 907724187 /nfs/dbraw/zinc/72/41/87/907724187.db2.gz NLVPYXFXVFFPFJ-NEPJUHHUSA-N 1 3 286.420 -0.069 20 0 CBADHO C[NH+](C)CCC(=O)NC1(CO)CCN(CCCO)CC1 ZINC001422202011 907742366 /nfs/dbraw/zinc/74/23/66/907742366.db2.gz VGXFMIPWEWLPFC-UHFFFAOYSA-N 1 3 287.404 -0.736 20 0 CBADHO O=C(NC1(CO)CCN(CCO)CC1)C12CC[NH+](CC1)C2 ZINC001422189687 907742985 /nfs/dbraw/zinc/74/29/85/907742985.db2.gz ACIVASXCGAGLMN-UHFFFAOYSA-N 1 3 297.399 -0.982 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422385389 907835009 /nfs/dbraw/zinc/83/50/09/907835009.db2.gz AAOZIKAYPBHZNH-MWLCHTKSSA-N 1 3 284.360 -0.638 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001422419940 907849263 /nfs/dbraw/zinc/84/92/63/907849263.db2.gz OSBOAIBZHJACPO-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001422494214 907892874 /nfs/dbraw/zinc/89/28/74/907892874.db2.gz JHSOMWHVAMGAEP-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001422494214 907892884 /nfs/dbraw/zinc/89/28/84/907892884.db2.gz JHSOMWHVAMGAEP-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001422571518 907922594 /nfs/dbraw/zinc/92/25/94/907922594.db2.gz JILQQOCLZWOVIT-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422588847 907938357 /nfs/dbraw/zinc/93/83/57/907938357.db2.gz HOSGOIOUXQYFLA-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001422661783 907969843 /nfs/dbraw/zinc/96/98/43/907969843.db2.gz UXEJTPPDGXPVLF-QJPTWQEYSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422660344 907970688 /nfs/dbraw/zinc/97/06/88/907970688.db2.gz ODQVDEOHXXELCU-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001422699050 907975906 /nfs/dbraw/zinc/97/59/06/907975906.db2.gz UXEJTPPDGXPVLF-TUAOUCFPSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001422703095 907980611 /nfs/dbraw/zinc/98/06/11/907980611.db2.gz HSVAUMKSURCIRX-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001502591614 921370570 /nfs/dbraw/zinc/37/05/70/921370570.db2.gz CLNWNMKOWBCOKY-RISCZKNCSA-N 1 3 296.371 -0.724 20 0 CBADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001422997168 908073307 /nfs/dbraw/zinc/07/33/07/908073307.db2.gz CFCGMPQCNJHOPO-JQWIXIFHSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H](C(=O)NC1(C[NH2+]CCO)CCOCC1)N(C)C ZINC001502635362 921378064 /nfs/dbraw/zinc/37/80/64/921378064.db2.gz LDNAQMXEYLRVLZ-LBPRGKRZSA-N 1 3 287.404 -0.426 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001423046456 908091476 /nfs/dbraw/zinc/09/14/76/908091476.db2.gz ADWKYPHCWKPPRO-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001423046456 908091493 /nfs/dbraw/zinc/09/14/93/908091493.db2.gz ADWKYPHCWKPPRO-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001423171939 908125545 /nfs/dbraw/zinc/12/55/45/908125545.db2.gz VUXNLWCPBWNVQZ-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001423171942 908125866 /nfs/dbraw/zinc/12/58/66/908125866.db2.gz VUXNLWCPBWNVQZ-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001423309981 908198402 /nfs/dbraw/zinc/19/84/02/908198402.db2.gz YEKXWDGPOJABOT-UHFFFAOYSA-N 1 3 294.403 -0.143 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001423353584 908212148 /nfs/dbraw/zinc/21/21/48/908212148.db2.gz YXFOGLHPYSFYPY-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001423353584 908212160 /nfs/dbraw/zinc/21/21/60/908212160.db2.gz YXFOGLHPYSFYPY-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406479 908224553 /nfs/dbraw/zinc/22/45/53/908224553.db2.gz USQKHKRVHRVWRT-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001423451825 908241714 /nfs/dbraw/zinc/24/17/14/908241714.db2.gz MUSKXEBSGXHUNM-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001423453117 908245009 /nfs/dbraw/zinc/24/50/09/908245009.db2.gz LZYQGFQPGZJNQT-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC[N@H+]1C ZINC001423453117 908245022 /nfs/dbraw/zinc/24/50/22/908245022.db2.gz LZYQGFQPGZJNQT-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001423472156 908247337 /nfs/dbraw/zinc/24/73/37/908247337.db2.gz UPZNNUIYQKPXSC-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001423472619 908248838 /nfs/dbraw/zinc/24/88/38/908248838.db2.gz ZEVHWYFMUNYRHG-ZYHUDNBSSA-N 1 3 284.360 -0.604 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001423694356 908305667 /nfs/dbraw/zinc/30/56/67/908305667.db2.gz KRDSNFQFGQAQRI-UHFFFAOYSA-N 1 3 270.377 -0.609 20 0 CBADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001502895772 921404728 /nfs/dbraw/zinc/40/47/28/921404728.db2.gz XCRGYXHIDSJHCX-UHFFFAOYSA-N 1 3 285.388 -0.982 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425413371 908642925 /nfs/dbraw/zinc/64/29/25/908642925.db2.gz KASFLSMSOFYGNT-XYPYZODXSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001425573464 908677615 /nfs/dbraw/zinc/67/76/15/908677615.db2.gz HBIYWXFVCDQLTH-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC ZINC001425665170 908687835 /nfs/dbraw/zinc/68/78/35/908687835.db2.gz TUNZLJHCKSHAAT-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC ZINC001425665170 908687840 /nfs/dbraw/zinc/68/78/40/908687840.db2.gz TUNZLJHCKSHAAT-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001425970734 908789216 /nfs/dbraw/zinc/78/92/16/908789216.db2.gz JNGMOXVXDSDYDW-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001425970734 908789223 /nfs/dbraw/zinc/78/92/23/908789223.db2.gz JNGMOXVXDSDYDW-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505683255 921468009 /nfs/dbraw/zinc/46/80/09/921468009.db2.gz YTZINRDHBYDTKL-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001428631285 909151510 /nfs/dbraw/zinc/15/15/10/909151510.db2.gz PPGFRXMVTQUECU-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428631285 909151517 /nfs/dbraw/zinc/15/15/17/909151517.db2.gz PPGFRXMVTQUECU-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001429483944 909248742 /nfs/dbraw/zinc/24/87/42/909248742.db2.gz XYOAVNYSCQRCHQ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001429483944 909248756 /nfs/dbraw/zinc/24/87/56/909248756.db2.gz XYOAVNYSCQRCHQ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001429478972 909249988 /nfs/dbraw/zinc/24/99/88/909249988.db2.gz OPHOTMATEZTZSA-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001430293550 909320970 /nfs/dbraw/zinc/32/09/70/909320970.db2.gz BKJASQKBOHQLDR-UHFFFAOYSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)C1(C(=O)NCCN(C)C(=O)CC[NH+](C)C)CCC1 ZINC001431307228 909446279 /nfs/dbraw/zinc/44/62/79/909446279.db2.gz DVXUKSFOGBXIJW-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001434770027 910328789 /nfs/dbraw/zinc/32/87/89/910328789.db2.gz GFGSXEKCUPYPAI-OLZOCXBDSA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001434770027 910328807 /nfs/dbraw/zinc/32/88/07/910328807.db2.gz GFGSXEKCUPYPAI-OLZOCXBDSA-N 1 3 284.404 -0.090 20 0 CBADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001506331902 921573378 /nfs/dbraw/zinc/57/33/78/921573378.db2.gz WIVPJUZVCUPRII-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)CCC1 ZINC001436794842 910488261 /nfs/dbraw/zinc/48/82/61/910488261.db2.gz QHWQSTXHCICEPR-LLVKDONJSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825280 910492517 /nfs/dbraw/zinc/49/25/17/910492517.db2.gz HHANCZUJKPUTQZ-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825280 910492536 /nfs/dbraw/zinc/49/25/36/910492536.db2.gz HHANCZUJKPUTQZ-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436878195 910499458 /nfs/dbraw/zinc/49/94/58/910499458.db2.gz KWMJPMSBEJZFOM-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436878195 910499472 /nfs/dbraw/zinc/49/94/72/910499472.db2.gz KWMJPMSBEJZFOM-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001436936434 910509271 /nfs/dbraw/zinc/50/92/71/910509271.db2.gz UJKGBGUHSVIXBM-AVGNSLFASA-N 1 3 296.415 -0.158 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001436920179 910510794 /nfs/dbraw/zinc/51/07/94/910510794.db2.gz IRVRWEBVDRJVGR-HAQNSBGRSA-N 1 3 294.403 -0.106 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001436920179 910510806 /nfs/dbraw/zinc/51/08/06/910510806.db2.gz IRVRWEBVDRJVGR-HAQNSBGRSA-N 1 3 294.403 -0.106 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001436975357 910520584 /nfs/dbraw/zinc/52/05/84/910520584.db2.gz KHRBBUAHPOROOO-BETUJISGSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437199546 910583042 /nfs/dbraw/zinc/58/30/42/910583042.db2.gz CSBADRDNAXBOPL-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CCCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437198381 910583827 /nfs/dbraw/zinc/58/38/27/910583827.db2.gz BNOXRYFTDUEKFX-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001437217336 910586373 /nfs/dbraw/zinc/58/63/73/910586373.db2.gz UERHQUMQASROKZ-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001437217337 910588671 /nfs/dbraw/zinc/58/86/71/910588671.db2.gz UERHQUMQASROKZ-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437282192 910605807 /nfs/dbraw/zinc/60/58/07/910605807.db2.gz IITRTTFGRXHQDC-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437312468 910613345 /nfs/dbraw/zinc/61/33/45/910613345.db2.gz OXKZXKRZSZYTOU-GHMZBOCLSA-N 1 3 293.371 -0.475 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437312484 910613730 /nfs/dbraw/zinc/61/37/30/910613730.db2.gz OXKZXKRZSZYTOU-WDEREUQCSA-N 1 3 293.371 -0.475 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C[C@@H]1CCc2ncnn21 ZINC001437515813 910673762 /nfs/dbraw/zinc/67/37/62/910673762.db2.gz MOWCZLKXKJCQQR-LBPRGKRZSA-N 1 3 294.403 -0.235 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001437828866 910757692 /nfs/dbraw/zinc/75/76/92/910757692.db2.gz OCXITXKQPQUBTI-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001437840455 910765884 /nfs/dbraw/zinc/76/58/84/910765884.db2.gz GACQEIOCKMFCEX-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841987 910766566 /nfs/dbraw/zinc/76/65/66/910766566.db2.gz ICEUQSLMUPWIOO-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001437841987 910766582 /nfs/dbraw/zinc/76/65/82/910766582.db2.gz ICEUQSLMUPWIOO-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001437842975 910767557 /nfs/dbraw/zinc/76/75/57/910767557.db2.gz QHFCXMMIUUCJEB-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001437842737 910767761 /nfs/dbraw/zinc/76/77/61/910767761.db2.gz LGGCGLUJIZMXLH-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991394 910792915 /nfs/dbraw/zinc/79/29/15/910792915.db2.gz MCDSFUTYAIZWPU-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001438653412 910944597 /nfs/dbraw/zinc/94/45/97/910944597.db2.gz QQFVWZUXGNNREF-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001506837750 921627859 /nfs/dbraw/zinc/62/78/59/921627859.db2.gz TUMXEHAGUZNJOK-STQMWFEESA-N 1 3 299.415 -0.332 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001439076537 911091075 /nfs/dbraw/zinc/09/10/75/911091075.db2.gz HWIQVFOTTBYUEP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439166527 911122986 /nfs/dbraw/zinc/12/29/86/911122986.db2.gz JSTCHLIFURUQDF-GFCCVEGCSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001506896950 921637049 /nfs/dbraw/zinc/63/70/49/921637049.db2.gz DZOAOAGCHOGZEC-CYDGBPFRSA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439229154 911149366 /nfs/dbraw/zinc/14/93/66/911149366.db2.gz YTSKYEHVTCVDQS-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001506903679 921637993 /nfs/dbraw/zinc/63/79/93/921637993.db2.gz QOGWQGGSLYOJMI-HAQNSBGRSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439254387 911154521 /nfs/dbraw/zinc/15/45/21/911154521.db2.gz DBRYZVFWGRIWTN-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439244897 911156378 /nfs/dbraw/zinc/15/63/78/911156378.db2.gz KTWXOKFPXANQPJ-JTQLQIEISA-N 1 3 270.377 -0.832 20 0 CBADHO NC(=O)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455342 911210174 /nfs/dbraw/zinc/21/01/74/911210174.db2.gz BLKDHJIFGUXATG-OLZOCXBDSA-N 1 3 294.399 -0.702 20 0 CBADHO NC(=O)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455335 911213103 /nfs/dbraw/zinc/21/31/03/911213103.db2.gz BLKDHJIFGUXATG-CHWSQXEVSA-N 1 3 294.399 -0.702 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001439782055 911289179 /nfs/dbraw/zinc/28/91/79/911289179.db2.gz GBRMOMHPMZVILQ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001439782055 911289194 /nfs/dbraw/zinc/28/91/94/911289194.db2.gz GBRMOMHPMZVILQ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905713 911314815 /nfs/dbraw/zinc/31/48/15/911314815.db2.gz CCEMRAWWJSTITB-AWEZNQCLSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)N1CCCC1 ZINC001440006138 911342387 /nfs/dbraw/zinc/34/23/87/911342387.db2.gz VFHBNQDQRVBXDY-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)N1CCCC1 ZINC001440006138 911342407 /nfs/dbraw/zinc/34/24/07/911342407.db2.gz VFHBNQDQRVBXDY-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001440343449 911432364 /nfs/dbraw/zinc/43/23/64/911432364.db2.gz FSPGJZVRCKEKLZ-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001440343449 911432374 /nfs/dbraw/zinc/43/23/74/911432374.db2.gz FSPGJZVRCKEKLZ-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001440372432 911439757 /nfs/dbraw/zinc/43/97/57/911439757.db2.gz HFGGUEARSPBZED-YPMHNXCESA-N 1 3 296.371 -0.196 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001440414101 911444587 /nfs/dbraw/zinc/44/45/87/911444587.db2.gz VESPEQVLSJCHAL-XQQFMLRXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)N(C)C ZINC001440604426 911479539 /nfs/dbraw/zinc/47/95/39/911479539.db2.gz JKDMDYWQHHRBHU-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001440842508 911528126 /nfs/dbraw/zinc/52/81/26/911528126.db2.gz SAYIHMPXWVMGQT-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440842512 911529794 /nfs/dbraw/zinc/52/97/94/911529794.db2.gz SAYIHMPXWVMGQT-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001441353619 911654208 /nfs/dbraw/zinc/65/42/08/911654208.db2.gz WCXYZCJORXMZSQ-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001441661086 911731115 /nfs/dbraw/zinc/73/11/15/911731115.db2.gz SNJHLEQXQBXXEK-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001507161550 921690989 /nfs/dbraw/zinc/69/09/89/921690989.db2.gz LZPDXGCJJPMDQF-NEPJUHHUSA-N 1 3 286.420 -0.102 20 0 CBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001441771513 911796076 /nfs/dbraw/zinc/79/60/76/911796076.db2.gz WYYVUGVXCLJASJ-STQMWFEESA-N 1 3 287.404 -0.692 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001441829376 911825329 /nfs/dbraw/zinc/82/53/29/911825329.db2.gz GBFGTGSUHDJRCA-MNOVXSKESA-N 1 3 270.377 -0.609 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834512 911832257 /nfs/dbraw/zinc/83/22/57/911832257.db2.gz IYALBBHURLGEQC-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH+](C)CCCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001441915656 911850525 /nfs/dbraw/zinc/85/05/25/911850525.db2.gz LDNBASLSAFMSAB-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936969 911858270 /nfs/dbraw/zinc/85/82/70/911858270.db2.gz QLNLDLHSQIYBCY-NWDGAFQWSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936969 911858254 /nfs/dbraw/zinc/85/82/54/911858254.db2.gz QLNLDLHSQIYBCY-NWDGAFQWSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001441938725 911860192 /nfs/dbraw/zinc/86/01/92/911860192.db2.gz JGTDZSDSDXUYQZ-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001441947310 911864661 /nfs/dbraw/zinc/86/46/61/911864661.db2.gz UKUUWIPBQLCVKO-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001441947316 911864753 /nfs/dbraw/zinc/86/47/53/911864753.db2.gz UKUUWIPBQLCVKO-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(C)C1=O ZINC001442005614 911888774 /nfs/dbraw/zinc/88/87/74/911888774.db2.gz GCPTZHXFWLGBRO-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001442002022 911890319 /nfs/dbraw/zinc/89/03/19/911890319.db2.gz WPHVUQIEXBWVPQ-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001442052717 911909812 /nfs/dbraw/zinc/90/98/12/911909812.db2.gz PQEPVCNMFKQCIF-AAEUAGOBSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001442052717 911909827 /nfs/dbraw/zinc/90/98/27/911909827.db2.gz PQEPVCNMFKQCIF-AAEUAGOBSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001442052753 911911138 /nfs/dbraw/zinc/91/11/38/911911138.db2.gz PQEPVCNMFKQCIF-YPMHNXCESA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001442052753 911911147 /nfs/dbraw/zinc/91/11/47/911911147.db2.gz PQEPVCNMFKQCIF-YPMHNXCESA-N 1 3 279.388 -0.034 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001442164380 911942782 /nfs/dbraw/zinc/94/27/82/911942782.db2.gz ZNEYEKBJMBHVAV-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001442243131 911955915 /nfs/dbraw/zinc/95/59/15/911955915.db2.gz YQGGACNNYUFQDI-CLRIEMFWSA-N 1 3 299.415 -0.333 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001442251404 911956072 /nfs/dbraw/zinc/95/60/72/911956072.db2.gz ZKJDZJCMRFQQRI-PNESKVBLSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)CCc1ccnn1C ZINC001442507219 912031113 /nfs/dbraw/zinc/03/11/13/912031113.db2.gz YWFZXQYDZJWYSU-UHFFFAOYSA-N 1 3 281.404 -0.038 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cc1c[nH]cn1 ZINC001442947165 912128304 /nfs/dbraw/zinc/12/83/04/912128304.db2.gz UQJJFXFYUKDXIZ-LLVKDONJSA-N 1 3 295.387 -0.133 20 0 CBADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314980 912184159 /nfs/dbraw/zinc/18/41/59/912184159.db2.gz AUNFPVBRXNXVTE-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001480142766 916309222 /nfs/dbraw/zinc/30/92/22/916309222.db2.gz UQOKZYBVJUEVNB-HAQNSBGRSA-N 1 3 296.415 -0.156 20 0 CBADHO NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480296959 916355889 /nfs/dbraw/zinc/35/58/89/916355889.db2.gz FYTDBQGVBSNGGY-JTQLQIEISA-N 1 3 279.344 -0.734 20 0 CBADHO C[C@H](O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480475815 916430669 /nfs/dbraw/zinc/43/06/69/916430669.db2.gz UNNNMIFFZRWIGB-QWRGUYRKSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001480478490 916430457 /nfs/dbraw/zinc/43/04/57/916430457.db2.gz ZKGIHEAWPYXIPI-PWSUYJOCSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530438 916461519 /nfs/dbraw/zinc/46/15/19/916461519.db2.gz GVTNOALBTJORLX-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590136 916483406 /nfs/dbraw/zinc/48/34/06/916483406.db2.gz HIMCPAZCVNLVDV-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590136 916483416 /nfs/dbraw/zinc/48/34/16/916483416.db2.gz HIMCPAZCVNLVDV-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCC(N)=O ZINC001480596188 916488768 /nfs/dbraw/zinc/48/87/68/916488768.db2.gz IRSBUOBCIPAUOT-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001480638912 916507116 /nfs/dbraw/zinc/50/71/16/916507116.db2.gz XLOKUSFEHNSMCN-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001480649058 916509348 /nfs/dbraw/zinc/50/93/48/916509348.db2.gz RUDJDRGXLCUPGR-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001481246685 916786962 /nfs/dbraw/zinc/78/69/62/916786962.db2.gz XLPCKPPUAHQWAD-GHMZBOCLSA-N 1 3 298.387 -0.820 20 0 CBADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315216 916815311 /nfs/dbraw/zinc/81/53/11/916815311.db2.gz SOQBBDCGRFKSSX-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315216 916815331 /nfs/dbraw/zinc/81/53/31/916815331.db2.gz SOQBBDCGRFKSSX-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(N)=O ZINC001481315339 916816184 /nfs/dbraw/zinc/81/61/84/916816184.db2.gz WQJCEKOLGHHDQX-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(N)=O ZINC001481315340 916816270 /nfs/dbraw/zinc/81/62/70/916816270.db2.gz WQJCEKOLGHHDQX-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001481317544 916820839 /nfs/dbraw/zinc/82/08/39/916820839.db2.gz IGMBDCQXDSSQAF-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC ZINC001481868476 917010070 /nfs/dbraw/zinc/01/00/70/917010070.db2.gz FVQWJEIKQPBFEI-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001482062894 917037405 /nfs/dbraw/zinc/03/74/05/917037405.db2.gz HMJLNLZCIJGLEC-TUAOUCFPSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482840657 917309415 /nfs/dbraw/zinc/30/94/15/917309415.db2.gz YFXWPOQAJOTZKW-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCO ZINC001482990704 917359066 /nfs/dbraw/zinc/35/90/66/917359066.db2.gz GQYWSHZKWKTVDK-JDGPPOGSSA-N 1 3 255.362 -0.275 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009128 917373630 /nfs/dbraw/zinc/37/36/30/917373630.db2.gz RGUSMPYCAPEIMX-QKPYMPQASA-N 1 3 282.388 -0.538 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009128 917373639 /nfs/dbraw/zinc/37/36/39/917373639.db2.gz RGUSMPYCAPEIMX-QKPYMPQASA-N 1 3 282.388 -0.538 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054204 917390355 /nfs/dbraw/zinc/39/03/55/917390355.db2.gz KUNURCVCQVWHAL-UFFNRZRYSA-N 1 3 282.388 -0.536 20 0 CBADHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@@H]2CCNC2=O)CC1 ZINC001483053818 917391455 /nfs/dbraw/zinc/39/14/55/917391455.db2.gz HSBACCQSSBLBKW-XQJDBVBESA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001483162614 917443789 /nfs/dbraw/zinc/44/37/89/917443789.db2.gz JPEIBARMHMZXLZ-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228361 917483593 /nfs/dbraw/zinc/48/35/93/917483593.db2.gz ODPRBTXDAWMHMK-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483228361 917483601 /nfs/dbraw/zinc/48/36/01/917483601.db2.gz ODPRBTXDAWMHMK-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001483261694 917499511 /nfs/dbraw/zinc/49/95/11/917499511.db2.gz JPEIBARMHMZXLZ-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1 ZINC001483582812 917599904 /nfs/dbraw/zinc/59/99/04/917599904.db2.gz DXXPKHPHVAVRSJ-LLVKDONJSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@H](NC1(CNC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001483764630 917673740 /nfs/dbraw/zinc/67/37/40/917673740.db2.gz MWEISLDCSVIJNB-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCO ZINC001483945664 917711276 /nfs/dbraw/zinc/71/12/76/917711276.db2.gz DUBVFAUDTNQTDH-NSHDSACASA-N 1 3 252.318 -0.475 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001483943678 917713225 /nfs/dbraw/zinc/71/32/25/917713225.db2.gz WHHWDOSGWKKRSW-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001484411697 917838281 /nfs/dbraw/zinc/83/82/81/917838281.db2.gz CYDMEVPXMRLAGR-UPJWGTAASA-N 1 3 296.415 -0.537 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001484693535 917927116 /nfs/dbraw/zinc/92/71/16/917927116.db2.gz VKKIGGRLAMGWHU-QWHCGFSZSA-N 1 3 285.388 -0.863 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485229846 918031542 /nfs/dbraw/zinc/03/15/42/918031542.db2.gz MWKGJBRIZZLVLC-NXEZZACHSA-N 1 3 258.366 -0.705 20 0 CBADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001485189666 918024930 /nfs/dbraw/zinc/02/49/30/918024930.db2.gz YEGAZISCWBQOIS-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485912976 918227281 /nfs/dbraw/zinc/22/72/81/918227281.db2.gz ADYHCJMSVFCHQX-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485912976 918227300 /nfs/dbraw/zinc/22/73/00/918227300.db2.gz ADYHCJMSVFCHQX-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916735 918230118 /nfs/dbraw/zinc/23/01/18/918230118.db2.gz WXZWGNWGIGUQPU-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001485947073 918239735 /nfs/dbraw/zinc/23/97/35/918239735.db2.gz LRTZCDMBLQQEKR-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@H]1C ZINC001486092771 918363591 /nfs/dbraw/zinc/36/35/91/918363591.db2.gz HHWGKLDHFHDIJR-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@H]1C ZINC001486092771 918363609 /nfs/dbraw/zinc/36/36/09/918363609.db2.gz HHWGKLDHFHDIJR-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486086742 918364793 /nfs/dbraw/zinc/36/47/93/918364793.db2.gz ZHVJUUSWAIFBKY-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120637 918372448 /nfs/dbraw/zinc/37/24/48/918372448.db2.gz DHUYZDYHLQZLSN-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCOCCO)C1 ZINC001486457730 918468975 /nfs/dbraw/zinc/46/89/75/918468975.db2.gz JKFYZIXHJDZDKF-JXQTWKCFSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@H](O)CN1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486514945 918480585 /nfs/dbraw/zinc/48/05/85/918480585.db2.gz NMNYJCGXNSMMEU-CQSZACIVSA-N 1 3 299.415 -0.306 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001488857948 918774707 /nfs/dbraw/zinc/77/47/07/918774707.db2.gz GKVNFDSWIVJUQP-YVECIDJPSA-N 1 3 296.415 -0.314 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001488871755 918776801 /nfs/dbraw/zinc/77/68/01/918776801.db2.gz FDIIRQDUWSZPSR-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1)N(C)C ZINC001491029573 919012072 /nfs/dbraw/zinc/01/20/72/919012072.db2.gz DYVYKCBBMHGOIK-WISYIIOYSA-N 1 3 257.378 -0.056 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001491079757 919026924 /nfs/dbraw/zinc/02/69/24/919026924.db2.gz GANUUIKJTSZJKQ-SDDRHHMPSA-N 1 3 284.404 -0.302 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCC1 ZINC001491569416 919212364 /nfs/dbraw/zinc/21/23/64/919212364.db2.gz QLAOMBBWKIHHTC-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491635968 919241674 /nfs/dbraw/zinc/24/16/74/919241674.db2.gz CKFKISDYZYNVCP-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001491635968 919241687 /nfs/dbraw/zinc/24/16/87/919241687.db2.gz CKFKISDYZYNVCP-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671650 919249161 /nfs/dbraw/zinc/24/91/61/919249161.db2.gz BMZHEBQQDDTNPF-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671650 919249176 /nfs/dbraw/zinc/24/91/76/919249176.db2.gz BMZHEBQQDDTNPF-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001491674241 919250492 /nfs/dbraw/zinc/25/04/92/919250492.db2.gz SXJCKFGGEMWUNS-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001491674241 919250511 /nfs/dbraw/zinc/25/05/11/919250511.db2.gz SXJCKFGGEMWUNS-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491672255 919252638 /nfs/dbraw/zinc/25/26/38/919252638.db2.gz GBMWBZPRAPKVQT-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491672255 919252657 /nfs/dbraw/zinc/25/26/57/919252657.db2.gz GBMWBZPRAPKVQT-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491752161 919269931 /nfs/dbraw/zinc/26/99/31/919269931.db2.gz QZJIIGRAVXAQQN-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001491834629 919288359 /nfs/dbraw/zinc/28/83/59/919288359.db2.gz KLFJMRVVUIIWRJ-STQMWFEESA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001492083979 919322380 /nfs/dbraw/zinc/32/23/80/919322380.db2.gz PQSHEYBIHCZOQR-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001493256079 919512348 /nfs/dbraw/zinc/51/23/48/919512348.db2.gz FZOOMBCKTKVHBX-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001493256079 919512355 /nfs/dbraw/zinc/51/23/55/919512355.db2.gz FZOOMBCKTKVHBX-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493654361 919597650 /nfs/dbraw/zinc/59/76/50/919597650.db2.gz YITBMDUKWXOKNX-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCNCc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001493682654 919603203 /nfs/dbraw/zinc/60/32/03/919603203.db2.gz YDZURJQWPIJLCK-UHFFFAOYSA-N 1 3 267.377 -0.080 20 0 CBADHO CN(CCNCC(N)=O)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761427 919617689 /nfs/dbraw/zinc/61/76/89/919617689.db2.gz KCEAJLFGIJGTFL-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001493793896 919621306 /nfs/dbraw/zinc/62/13/06/919621306.db2.gz OLGXPSDSKIMZNF-LBPRGKRZSA-N 1 3 282.388 -0.639 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170576 919666728 /nfs/dbraw/zinc/66/67/28/919666728.db2.gz DHELAZUIGQZYGK-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170576 919666735 /nfs/dbraw/zinc/66/67/35/919666735.db2.gz DHELAZUIGQZYGK-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001494856189 919805382 /nfs/dbraw/zinc/80/53/82/919805382.db2.gz LVAIITHFDLCWAR-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001494856189 919805395 /nfs/dbraw/zinc/80/53/95/919805395.db2.gz LVAIITHFDLCWAR-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(N)=O ZINC001495049740 919851630 /nfs/dbraw/zinc/85/16/30/919851630.db2.gz LOVBGUVZVVUBDW-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495548974 919903118 /nfs/dbraw/zinc/90/31/18/919903118.db2.gz PGAMQTMTWATZIB-NEPJUHHUSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495682555 919927974 /nfs/dbraw/zinc/92/79/74/919927974.db2.gz FKEFLWBPMMYACQ-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+](C)CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001495939662 919991556 /nfs/dbraw/zinc/99/15/56/919991556.db2.gz NCZYKFGMEUONBR-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001495953434 919991805 /nfs/dbraw/zinc/99/18/05/919991805.db2.gz AYZNACRAGNOYHD-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001495953434 919991815 /nfs/dbraw/zinc/99/18/15/919991815.db2.gz AYZNACRAGNOYHD-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144891 920028835 /nfs/dbraw/zinc/02/88/35/920028835.db2.gz NJZRQFSAAZOLGG-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230431 920045858 /nfs/dbraw/zinc/04/58/58/920045858.db2.gz WLJQZFHJRKZSSH-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496230431 920045873 /nfs/dbraw/zinc/04/58/73/920045873.db2.gz WLJQZFHJRKZSSH-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001497207541 920269810 /nfs/dbraw/zinc/26/98/10/920269810.db2.gz YUTYXZZLGIEFBT-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001497676470 920367585 /nfs/dbraw/zinc/36/75/85/920367585.db2.gz YZIINZJMYOOTFS-MVZIDQBPSA-N 1 3 282.388 -0.521 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001497827370 920403612 /nfs/dbraw/zinc/40/36/12/920403612.db2.gz JJKMJTJFPRGOTL-GHMZBOCLSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001497898610 920422508 /nfs/dbraw/zinc/42/25/08/920422508.db2.gz DJAYAMWDTUVWNI-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001497984285 920433723 /nfs/dbraw/zinc/43/37/23/920433723.db2.gz YGVGQSVSTRLCNZ-KOLCDFICSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001497984285 920433732 /nfs/dbraw/zinc/43/37/32/920433732.db2.gz YGVGQSVSTRLCNZ-KOLCDFICSA-N 1 3 280.376 -0.341 20 0 CBADHO C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983377 920433785 /nfs/dbraw/zinc/43/37/85/920433785.db2.gz CUVQFPXRPVKSJO-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983377 920433793 /nfs/dbraw/zinc/43/37/93/920433793.db2.gz CUVQFPXRPVKSJO-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001498061142 920468806 /nfs/dbraw/zinc/46/88/06/920468806.db2.gz SKSVYGFALMYFNZ-HBNTYKKESA-N 1 3 298.387 -0.774 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001498169190 920510577 /nfs/dbraw/zinc/51/05/77/920510577.db2.gz YHSLJESTCCNOCZ-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001498197133 920517224 /nfs/dbraw/zinc/51/72/24/920517224.db2.gz FOFQROKBJXXDAO-LBPRGKRZSA-N 1 3 299.419 -0.554 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)C1 ZINC001498611789 920617192 /nfs/dbraw/zinc/61/71/92/920617192.db2.gz BGCAXZWPIGDOAE-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499901661 920781700 /nfs/dbraw/zinc/78/17/00/920781700.db2.gz QLRRRMHMMHMWOW-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499901661 920781715 /nfs/dbraw/zinc/78/17/15/920781715.db2.gz QLRRRMHMMHMWOW-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501088243 920947380 /nfs/dbraw/zinc/94/73/80/920947380.db2.gz YAFBSRPPGVEHRR-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001501084376 920947564 /nfs/dbraw/zinc/94/75/64/920947564.db2.gz UTIZQMUUFGZJMA-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[NH2+]CCN(CCO)C(=O)CN(C)C1CCC1 ZINC001501462548 921020441 /nfs/dbraw/zinc/02/04/41/921020441.db2.gz XEEGUKQONOVNTO-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001521513419 922365612 /nfs/dbraw/zinc/36/56/12/922365612.db2.gz VKGMCJIJHGEPON-DGCLKSJQSA-N 1 3 252.362 -0.898 20 0 CBADHO COCC[C@H](N)C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001521739541 922377042 /nfs/dbraw/zinc/37/70/42/922377042.db2.gz BSSVSODKEQCCJK-ZJUUUORDSA-N 1 3 261.391 -0.439 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001521975402 922394390 /nfs/dbraw/zinc/39/43/90/922394390.db2.gz SCYZQJNSRJMCJX-WDMOLILDSA-N 1 3 265.357 -0.234 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001521974192 922394465 /nfs/dbraw/zinc/39/44/65/922394465.db2.gz NJURCUDKSVLKHW-MNOVXSKESA-N 1 3 265.357 -0.377 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001530448845 922939262 /nfs/dbraw/zinc/93/92/62/922939262.db2.gz OMLOQAMHKQULAL-LBPRGKRZSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001530448845 922939271 /nfs/dbraw/zinc/93/92/71/922939271.db2.gz OMLOQAMHKQULAL-LBPRGKRZSA-N 1 3 296.415 -0.395 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001530644448 922956403 /nfs/dbraw/zinc/95/64/03/922956403.db2.gz LBPAPOFJUQMZER-UHFFFAOYSA-N 1 3 293.371 -0.379 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001530644448 922956420 /nfs/dbraw/zinc/95/64/20/922956420.db2.gz LBPAPOFJUQMZER-UHFFFAOYSA-N 1 3 293.371 -0.379 20 0 CBADHO CN1CCN(c2ccncc2NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548554286 923375151 /nfs/dbraw/zinc/37/51/51/923375151.db2.gz FQWYXCYLYDFXPT-LLVKDONJSA-N 1 3 293.371 -0.518 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553340 923375649 /nfs/dbraw/zinc/37/56/49/923375649.db2.gz SIHFSRMLNGJFFB-BZPMIXESSA-N 1 3 267.373 -0.177 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CNCCN1C)C(C)(C)C[NH+](C)C ZINC001548553221 923376624 /nfs/dbraw/zinc/37/66/24/923376624.db2.gz QBBGUGJJOWLWSK-VXGBXAGGSA-N 1 3 270.421 -0.018 20 0 CBADHO CN1CCNC[C@@H]1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001548555165 923379253 /nfs/dbraw/zinc/37/92/53/923379253.db2.gz KNXZWZIFJBQOCT-BXUZGUMPSA-N 1 3 289.383 -0.260 20 0 CBADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CNCCN1C)CC[NH2+]CC2 ZINC001548563078 923385624 /nfs/dbraw/zinc/38/56/24/923385624.db2.gz KGUQJDDOWMAGET-STQMWFEESA-N 1 3 280.416 -0.119 20 0 CBADHO N[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC[C@H]1F ZINC001548572265 923392699 /nfs/dbraw/zinc/39/26/99/923392699.db2.gz OHIBZVUXTHUASA-BREBYQMCSA-N 1 3 284.335 -0.217 20 0 CBADHO N[C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[C@H]1F ZINC001548572168 923394780 /nfs/dbraw/zinc/39/47/80/923394780.db2.gz MYQTYWBLEBOUBG-NXEZZACHSA-N 1 3 284.335 -0.217 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001548573554 923398024 /nfs/dbraw/zinc/39/80/24/923398024.db2.gz HOEGSKNOLDGGBR-RRFJBIMHSA-N 1 3 288.395 -0.238 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548580459 923404744 /nfs/dbraw/zinc/40/47/44/923404744.db2.gz YCVYOPSEOAOQMW-MNOVXSKESA-N 1 3 267.373 -0.036 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C(N)C(F)(F)F)C[C@@H]2[NH3+])cn1 ZINC001549034811 923526409 /nfs/dbraw/zinc/52/64/09/923526409.db2.gz RNZKEABENHNPAU-XHNCKOQMSA-N 1 3 291.277 -0.437 20 0 CBADHO CCC[C@H](N)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549034389 923526777 /nfs/dbraw/zinc/52/67/77/923526777.db2.gz JMOFTYZXJSEAHD-GRYCIOLGSA-N 1 3 265.361 -0.199 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045759 923540209 /nfs/dbraw/zinc/54/02/09/923540209.db2.gz ISQXWYLCUQVCEH-NXEZZACHSA-N 1 3 276.331 -0.525 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001549047304 923543104 /nfs/dbraw/zinc/54/31/04/923543104.db2.gz ODOCOQWFEKSDGD-NEPJUHHUSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047680 923546821 /nfs/dbraw/zinc/54/68/21/923546821.db2.gz WIDZCVZHNYMIKM-YPMHNXCESA-N 1 3 292.387 -0.100 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048905 923547069 /nfs/dbraw/zinc/54/70/69/923547069.db2.gz VACRJGSWQBUPSU-VWYCJHECSA-N 1 3 251.334 -0.590 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549292990 923580038 /nfs/dbraw/zinc/58/00/38/923580038.db2.gz GRPUOTHOKRIWJA-RYUDHWBXSA-N 1 3 280.376 -0.102 20 0 CBADHO CC(C)[NH2+]CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549293816 923584013 /nfs/dbraw/zinc/58/40/13/923584013.db2.gz SSSFPTMPJOSGMT-GFCCVEGCSA-N 1 3 280.376 -0.102 20 0 CBADHO NCC(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC001549729016 923632627 /nfs/dbraw/zinc/63/26/27/923632627.db2.gz MNFHLNAXMWEWBU-JTQLQIEISA-N 1 3 250.302 -0.603 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550095242 923677191 /nfs/dbraw/zinc/67/71/91/923677191.db2.gz HRRZWJNLPGJFDQ-AAEUAGOBSA-N 1 3 292.387 -0.148 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550095242 923677200 /nfs/dbraw/zinc/67/72/00/923677200.db2.gz HRRZWJNLPGJFDQ-AAEUAGOBSA-N 1 3 292.387 -0.148 20 0 CBADHO C[C@@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC001550094646 923677393 /nfs/dbraw/zinc/67/73/93/923677393.db2.gz XQADHHABHPWCPB-TZMCWYRMSA-N 1 3 292.387 -0.100 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550094962 923678888 /nfs/dbraw/zinc/67/88/88/923678888.db2.gz AVVDTJTZNWSVKO-UHTWSYAYSA-N 1 3 292.387 -0.102 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550095248 923679990 /nfs/dbraw/zinc/67/99/90/923679990.db2.gz HRRZWJNLPGJFDQ-YPMHNXCESA-N 1 3 292.387 -0.148 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550095248 923680001 /nfs/dbraw/zinc/68/00/01/923680001.db2.gz HRRZWJNLPGJFDQ-YPMHNXCESA-N 1 3 292.387 -0.148 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096926 923680051 /nfs/dbraw/zinc/68/00/51/923680051.db2.gz SCRAFMQCAKFVNB-DGCLKSJQSA-N 1 3 292.387 -0.100 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)nn1 ZINC001550096980 923681697 /nfs/dbraw/zinc/68/16/97/923681697.db2.gz VZLXXMVGSCPLEF-HKWIRBFKSA-N 1 3 276.344 -0.739 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097230 923682232 /nfs/dbraw/zinc/68/22/32/923682232.db2.gz FAOBSNYMPRVNJN-JQWIXIFHSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097468 923682393 /nfs/dbraw/zinc/68/23/93/923682393.db2.gz NAYXEKYKSVJTKX-ZYHUDNBSSA-N 1 3 282.323 -0.788 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550183294 923704988 /nfs/dbraw/zinc/70/49/88/923704988.db2.gz MNQXECMNPWKKNL-UPJWGTAASA-N 1 3 285.388 -0.295 20 0 CBADHO COc1ccc([C@@H]2CN(C(=O)[C@H](CN)OC)C[C@@H]2[NH3+])cc1 ZINC001550189907 923705874 /nfs/dbraw/zinc/70/58/74/923705874.db2.gz XHCLEDFJXVZARM-IHRRRGAJSA-N 1 3 293.367 -0.078 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550188410 923706628 /nfs/dbraw/zinc/70/66/28/923706628.db2.gz WQXYEANEWHEMLG-NEPJUHHUSA-N 1 3 292.387 -0.244 20 0 CBADHO CO[C@H](CN)C(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550188051 923707181 /nfs/dbraw/zinc/70/71/81/923707181.db2.gz ZKPGZUDGOKJHOV-JHJVBQTASA-N 1 3 263.341 -0.168 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550188411 923707611 /nfs/dbraw/zinc/70/76/11/923707611.db2.gz WQXYEANEWHEMLG-NWDGAFQWSA-N 1 3 292.387 -0.244 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)CC3CC3)C[C@@H]2[NH3+])cn1 ZINC001550188636 923707722 /nfs/dbraw/zinc/70/77/22/923707722.db2.gz ZMJVBARSWBWBKQ-XQQFMLRXSA-N 1 3 277.372 -0.199 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CC[NH3+])CC1 ZINC001550200263 923709146 /nfs/dbraw/zinc/70/91/46/923709146.db2.gz UXKPMDKQSWNZMR-UHFFFAOYSA-N 1 3 282.388 -0.332 20 0 CBADHO CO[C@H](CN)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194979 923709774 /nfs/dbraw/zinc/70/97/74/923709774.db2.gz TXKJJKNDDSAJLU-GHMZBOCLSA-N 1 3 271.361 -0.765 20 0 CBADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCNC[C@@H](O)C1 ZINC001550738826 923742797 /nfs/dbraw/zinc/74/27/97/923742797.db2.gz CSOMUCOZJDIMOT-MGPQQGTHSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCNC[C@@H](O)C1 ZINC001550738826 923742811 /nfs/dbraw/zinc/74/28/11/923742811.db2.gz CSOMUCOZJDIMOT-MGPQQGTHSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCNC[C@H](O)C1 ZINC001550742847 923742976 /nfs/dbraw/zinc/74/29/76/923742976.db2.gz FGODZKXRDGTFDU-QWRGUYRKSA-N 1 3 268.361 -0.753 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCNC[C@H](O)C2)C1 ZINC001550748804 923747093 /nfs/dbraw/zinc/74/70/93/923747093.db2.gz VMWPSYNBSGDMSF-NEPJUHHUSA-N 1 3 284.404 -0.260 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913291 923754122 /nfs/dbraw/zinc/75/41/22/923754122.db2.gz OOOXHNQIRSQGEE-SWLSCSKDSA-N 1 3 296.415 -0.253 20 0 CBADHO CN1CCC(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552166174 923844255 /nfs/dbraw/zinc/84/42/55/923844255.db2.gz APKXXOGIUJQEMO-LLVKDONJSA-N 1 3 278.360 -0.364 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200452 923855720 /nfs/dbraw/zinc/85/57/20/923855720.db2.gz CLKDGBLJAFYSMI-GYSYKLTISA-N 1 3 265.357 -0.425 20 0 CBADHO O=C(NCCN1CCCC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201109 923857830 /nfs/dbraw/zinc/85/78/30/923857830.db2.gz WQVQHKXYXPGQCG-DGCLKSJQSA-N 1 3 253.346 -0.566 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201996 923858127 /nfs/dbraw/zinc/85/81/27/923858127.db2.gz YZBMLYSFEJYXCR-RGCMKSIDSA-N 1 3 295.383 -0.798 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552203560 923864675 /nfs/dbraw/zinc/86/46/75/923864675.db2.gz FZUFRIWOZDXMJC-BZPMIXESSA-N 1 3 283.372 -0.989 20 0 CBADHO Cc1c(C(=O)NC2CCN(C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552433038 923905461 /nfs/dbraw/zinc/90/54/61/923905461.db2.gz ZNNGBOORSAWKEN-GFCCVEGCSA-N 1 3 292.387 -0.055 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552443116 923909309 /nfs/dbraw/zinc/90/93/09/923909309.db2.gz ZMUNGKMKIJBJLX-UWVGGRQHSA-N 1 3 279.344 -0.795 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)c2cccc3c2CNC3)C[C@H]1n1ccnn1 ZINC001552678965 923912007 /nfs/dbraw/zinc/91/20/07/923912007.db2.gz AKIDORJUORBOMN-ZIAGYGMSSA-N 1 3 298.350 -0.094 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)CCN2C1=O ZINC001552842658 923920280 /nfs/dbraw/zinc/92/02/80/923920280.db2.gz AIRMOCPDJIEHDC-FJJYHAOUSA-N 1 3 292.383 -0.711 20 0 CBADHO N[C@@H]1C[C@H]2CN(C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304952 923946208 /nfs/dbraw/zinc/94/62/08/923946208.db2.gz QHHBLJPCFDTVBN-FRRDWIJNSA-N 1 3 266.389 -0.380 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553410362 923983689 /nfs/dbraw/zinc/98/36/89/923983689.db2.gz KXRHPDIZAWCPCY-RFGFWPKPSA-N 1 3 297.399 -0.267 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553439886 924002274 /nfs/dbraw/zinc/00/22/74/924002274.db2.gz WLIRDYVDTGRPDH-KKOKHZNYSA-N 1 3 252.362 -0.073 20 0 CBADHO O=C(NC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553489347 924008501 /nfs/dbraw/zinc/00/85/01/924008501.db2.gz DMNPNBBEZRKCLR-ZIAGYGMSSA-N 1 3 296.415 -0.021 20 0 CBADHO CC(C)([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553499095 924012171 /nfs/dbraw/zinc/01/21/71/924012171.db2.gz YFRJQWFFHRSLLW-VXGBXAGGSA-N 1 3 284.404 -0.036 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553501161 924014212 /nfs/dbraw/zinc/01/42/12/924014212.db2.gz GEEXXHDFQVCJCR-XQQFMLRXSA-N 1 3 282.388 -0.384 20 0 CBADHO C[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553502680 924015571 /nfs/dbraw/zinc/01/55/71/924015571.db2.gz KSXHCGAKJLMWJG-SRVKXCTJSA-N 1 3 270.377 -0.426 20 0 CBADHO C[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553502682 924017864 /nfs/dbraw/zinc/01/78/64/924017864.db2.gz KSXHCGAKJLMWJG-TUAOUCFPSA-N 1 3 270.377 -0.426 20 0 CBADHO [NH3+]CC1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553534688 924025335 /nfs/dbraw/zinc/02/53/35/924025335.db2.gz YTXVUVIDTQJJJN-STQMWFEESA-N 1 3 296.415 -0.034 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC1=O ZINC000237159917 282101330 /nfs/dbraw/zinc/10/13/30/282101330.db2.gz ZNTXKIBADBWELV-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CN1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000337587846 214169495 /nfs/dbraw/zinc/16/94/95/214169495.db2.gz AZEMXVPPCZTCCR-CYBMUJFWSA-N 1 3 272.393 -0.308 20 0 CBADHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514966 282121944 /nfs/dbraw/zinc/12/19/44/282121944.db2.gz BZAMHAMCSYIUDT-UONOGXRCSA-N 1 3 271.405 -0.437 20 0 CBADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514966 282121945 /nfs/dbraw/zinc/12/19/45/282121945.db2.gz BZAMHAMCSYIUDT-UONOGXRCSA-N 1 3 271.405 -0.437 20 0 CBADHO CC(C)[C@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000125690614 187195841 /nfs/dbraw/zinc/19/58/41/187195841.db2.gz MNMBRCQUBMAWIH-GFCCVEGCSA-N 1 3 256.394 -0.406 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126075125 187215074 /nfs/dbraw/zinc/21/50/74/187215074.db2.gz PUPGFWGVBWDMDK-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126075125 187215075 /nfs/dbraw/zinc/21/50/75/187215075.db2.gz PUPGFWGVBWDMDK-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126074890 187215410 /nfs/dbraw/zinc/21/54/10/187215410.db2.gz PUPGFWGVBWDMDK-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126074890 187215412 /nfs/dbraw/zinc/21/54/12/187215412.db2.gz PUPGFWGVBWDMDK-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423232877 290656182 /nfs/dbraw/zinc/65/61/82/290656182.db2.gz IXYHXVJXGSVRMA-NSHDSACASA-N 1 3 270.377 -0.783 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000126161921 187221988 /nfs/dbraw/zinc/22/19/88/187221988.db2.gz UVTHORDXSCUTQE-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000126161921 187221990 /nfs/dbraw/zinc/22/19/90/187221990.db2.gz UVTHORDXSCUTQE-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000126201556 187224201 /nfs/dbraw/zinc/22/42/01/187224201.db2.gz GLXQYECPDIEFCN-AWEZNQCLSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[NH+](C)C ZINC000126209741 187224342 /nfs/dbraw/zinc/22/43/42/187224342.db2.gz YQEPXUNBZCIBFY-KOLCDFICSA-N 1 3 258.366 -0.848 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+](C)C1CC1 ZINC000126320650 187232398 /nfs/dbraw/zinc/23/23/98/187232398.db2.gz CLZMECBFHYRDPY-LBPRGKRZSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+](C)C1CC1 ZINC000126320650 187232399 /nfs/dbraw/zinc/23/23/99/187232399.db2.gz CLZMECBFHYRDPY-LBPRGKRZSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000126316226 187232907 /nfs/dbraw/zinc/23/29/07/187232907.db2.gz ZSLVLJNTGWTDQK-YPMHNXCESA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331510896 282260527 /nfs/dbraw/zinc/26/05/27/282260527.db2.gz PNLXSZCRSWBTAU-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423590440 290687005 /nfs/dbraw/zinc/68/70/05/290687005.db2.gz AZGCPPJVFFDJNC-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000351516539 219112345 /nfs/dbraw/zinc/11/23/45/219112345.db2.gz GHDQHTHIOBVDHA-RYUDHWBXSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000351556824 219125053 /nfs/dbraw/zinc/12/50/53/219125053.db2.gz HNAWCGKZSBPABA-IJLUTSLNSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000351556396 219125543 /nfs/dbraw/zinc/12/55/43/219125543.db2.gz NZOLKQFZOQUPAO-NQBHXWOUSA-N 1 3 294.399 -0.404 20 0 CBADHO CN1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567719 219127743 /nfs/dbraw/zinc/12/77/43/219127743.db2.gz MKFJVZLTLHRFRX-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351569029 219130469 /nfs/dbraw/zinc/13/04/69/219130469.db2.gz NJRXRJWRYGYHOY-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085370816 179040871 /nfs/dbraw/zinc/04/08/71/179040871.db2.gz AVDVWEFVKWGRQK-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573786870 334965803 /nfs/dbraw/zinc/96/58/03/334965803.db2.gz RLJIGJNKLOXEPD-IGQOVBAYSA-N 1 3 296.415 -0.044 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339632957 215282164 /nfs/dbraw/zinc/28/21/64/215282164.db2.gz APGLIQRFEHWIGC-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCCC[NH+]1CCCC1 ZINC000091299340 180126063 /nfs/dbraw/zinc/12/60/63/180126063.db2.gz HKPQSXWXZIRGKW-GFCCVEGCSA-N 1 3 255.362 -0.033 20 0 CBADHO C[NH+](C)[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000091393954 180145835 /nfs/dbraw/zinc/14/58/35/180145835.db2.gz XKHNAUWUUKDNPJ-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000091393954 180145837 /nfs/dbraw/zinc/14/58/37/180145837.db2.gz XKHNAUWUUKDNPJ-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000091393954 180145838 /nfs/dbraw/zinc/14/58/38/180145838.db2.gz XKHNAUWUUKDNPJ-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO C[NH2+]CCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668824 180224781 /nfs/dbraw/zinc/22/47/81/180224781.db2.gz STQPLQXNOYTTFU-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H]([NH3+])C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000110649296 186310130 /nfs/dbraw/zinc/31/01/30/186310130.db2.gz VDUPCLJNFMJJKS-VIFPVBQESA-N 1 3 254.334 -0.403 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036999126 351395451 /nfs/dbraw/zinc/39/54/51/351395451.db2.gz GKSVFZVTUAHXEK-GRYCIOLGSA-N 1 3 255.362 -0.300 20 0 CBADHO Cn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000063178725 351580335 /nfs/dbraw/zinc/58/03/35/351580335.db2.gz CKWFPKDBUZVZQH-GFCCVEGCSA-N 1 3 265.361 -0.293 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC000070170987 351635554 /nfs/dbraw/zinc/63/55/54/351635554.db2.gz SXPNOGVGBVAMGH-JTQLQIEISA-N 1 3 254.334 -0.401 20 0 CBADHO CC(=O)NCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077752524 351682886 /nfs/dbraw/zinc/68/28/86/351682886.db2.gz RDTFGLQLIVYHKK-UHFFFAOYSA-N 1 3 287.408 -0.743 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC1=O ZINC000081229985 351702579 /nfs/dbraw/zinc/70/25/79/351702579.db2.gz OAVSQHJNAVUASE-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC1=O ZINC000081229984 351703237 /nfs/dbraw/zinc/70/32/37/351703237.db2.gz OAVSQHJNAVUASE-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO COCCN(C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000104382617 351790942 /nfs/dbraw/zinc/79/09/42/351790942.db2.gz LWLRSGFPVCRCHM-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000114478254 351816875 /nfs/dbraw/zinc/81/68/75/351816875.db2.gz AYQFGIGHVYXNGD-LBPRGKRZSA-N 1 3 285.388 -0.109 20 0 CBADHO CC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000126276675 351859043 /nfs/dbraw/zinc/85/90/43/351859043.db2.gz TVLJEBPQKLCRGE-AWEZNQCLSA-N 1 3 298.431 -0.066 20 0 CBADHO C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000121338245 351847364 /nfs/dbraw/zinc/84/73/64/351847364.db2.gz IXXUGDSYGFAKOC-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000152424749 351938832 /nfs/dbraw/zinc/93/88/32/351938832.db2.gz VHUQVONLZHNYSH-ZDUSSCGKSA-N 1 3 265.357 -0.091 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152755681 351940036 /nfs/dbraw/zinc/94/00/36/351940036.db2.gz VJOIJVLVHIQBEQ-RYUDHWBXSA-N 1 3 255.362 -0.129 20 0 CBADHO COCCN(C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000171190645 352009116 /nfs/dbraw/zinc/00/91/16/352009116.db2.gz RGCYXLFXWKSEDQ-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157780561 351957931 /nfs/dbraw/zinc/95/79/31/351957931.db2.gz XLLBQCFHNUCMPU-OLZOCXBDSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157780561 351957933 /nfs/dbraw/zinc/95/79/33/351957933.db2.gz XLLBQCFHNUCMPU-OLZOCXBDSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)C1CC1 ZINC000160732745 351971257 /nfs/dbraw/zinc/97/12/57/351971257.db2.gz CYVHHKNBYGNYAW-LBPRGKRZSA-N 1 3 255.362 -0.441 20 0 CBADHO COCCNCC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000167264955 351989671 /nfs/dbraw/zinc/98/96/71/351989671.db2.gz ZCCJVVVUUPICBV-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCNCC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000167264955 351989673 /nfs/dbraw/zinc/98/96/73/351989673.db2.gz ZCCJVVVUUPICBV-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000167407240 351989754 /nfs/dbraw/zinc/98/97/54/351989754.db2.gz FNQMGDULQFYYID-CYBMUJFWSA-N 1 3 296.415 -0.392 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167411170 351989797 /nfs/dbraw/zinc/98/97/97/351989797.db2.gz PBMDIXFAKDDXIE-CYBMUJFWSA-N 1 3 296.415 -0.392 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000178659844 352080976 /nfs/dbraw/zinc/08/09/76/352080976.db2.gz DRELXOSFDMPCSO-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CS(=O)(=O)N[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000178974188 352086825 /nfs/dbraw/zinc/08/68/25/352086825.db2.gz JVMDNDDAGJQVBR-LLVKDONJSA-N 1 3 261.391 -0.391 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000179194577 352088673 /nfs/dbraw/zinc/08/86/73/352088673.db2.gz QRWNPIOAFGSIBC-GHMZBOCLSA-N 1 3 270.377 -0.798 20 0 CBADHO COC[C@@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180199912 352093967 /nfs/dbraw/zinc/09/39/67/352093967.db2.gz HCLJBVSWIHWVTD-AWEZNQCLSA-N 1 3 273.421 -0.049 20 0 CBADHO COC[C@@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180199912 352093968 /nfs/dbraw/zinc/09/39/68/352093968.db2.gz HCLJBVSWIHWVTD-AWEZNQCLSA-N 1 3 273.421 -0.049 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000189263004 352166169 /nfs/dbraw/zinc/16/61/69/352166169.db2.gz LCHROJYEZSLICL-SDDRHHMPSA-N 1 3 271.361 -0.848 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000192109270 352196710 /nfs/dbraw/zinc/19/67/10/352196710.db2.gz KECHHPURGIUMHY-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCNC(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519270 352227685 /nfs/dbraw/zinc/22/76/85/352227685.db2.gz NSKPMHBXLYSTDK-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000230711769 352274372 /nfs/dbraw/zinc/27/43/72/352274372.db2.gz OKGNEABRAJOCED-ZDUSSCGKSA-N 1 3 286.420 -0.114 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845496 352294976 /nfs/dbraw/zinc/29/49/76/352294976.db2.gz NPCUFSDXIUPLCW-OLZOCXBDSA-N 1 3 270.421 -0.016 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236888649 352295795 /nfs/dbraw/zinc/29/57/95/352295795.db2.gz XWZFWESQSYKJJZ-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236891505 352296405 /nfs/dbraw/zinc/29/64/05/352296405.db2.gz XWZFWESQSYKJJZ-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[NH2+]C1CC1 ZINC000237017785 352297790 /nfs/dbraw/zinc/29/77/90/352297790.db2.gz GLBJSIGZHIMQGZ-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1=O ZINC000237161100 352300467 /nfs/dbraw/zinc/30/04/67/352300467.db2.gz GMLUSGLJPFQQAQ-NHYWBVRUSA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)C2CC[NH2+]CC2)CC1=O ZINC000237159742 352300586 /nfs/dbraw/zinc/30/05/86/352300586.db2.gz KBOIYNRJYBPJLD-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CNC(=O)C[NH2+]C1CC1)CN1CCN(C)CC1 ZINC000237405328 352304123 /nfs/dbraw/zinc/30/41/23/352304123.db2.gz SJLQPBFPJTYSKD-GFCCVEGCSA-N 1 3 268.405 -0.262 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000237463880 352306448 /nfs/dbraw/zinc/30/64/48/352306448.db2.gz OSUSZTKHKGJZNH-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000237901024 352311140 /nfs/dbraw/zinc/31/11/40/352311140.db2.gz SCRNYTZTCGTJQJ-NEPJUHHUSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000237931103 352311688 /nfs/dbraw/zinc/31/16/88/352311688.db2.gz SCRNYTZTCGTJQJ-VXGBXAGGSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(C[C@H]1CSCCN1)NCCCN1CC[NH2+]CC1 ZINC000238086259 352314034 /nfs/dbraw/zinc/31/40/34/352314034.db2.gz SBOPAEFWXPUPIA-LBPRGKRZSA-N 1 3 286.445 -0.507 20 0 CBADHO C[C@]1(O)CCN(CCOCC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000246955274 352341615 /nfs/dbraw/zinc/34/16/15/352341615.db2.gz IGJZRMHGFXKEHZ-KBPBESRZSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@]1(O)CCN(CCOCC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000246955274 352341618 /nfs/dbraw/zinc/34/16/18/352341618.db2.gz IGJZRMHGFXKEHZ-KBPBESRZSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000261889880 352399651 /nfs/dbraw/zinc/39/96/51/352399651.db2.gz VFIPRVQYAMSXDE-JHJVBQTASA-N 1 3 296.415 -0.408 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000250362289 352371873 /nfs/dbraw/zinc/37/18/73/352371873.db2.gz UFGKYXCJHXBKBX-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000250362289 352371876 /nfs/dbraw/zinc/37/18/76/352371876.db2.gz UFGKYXCJHXBKBX-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)CN1 ZINC000252408122 352376333 /nfs/dbraw/zinc/37/63/33/352376333.db2.gz IKENJHYZPILXDX-DDHJBXDOSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)CN1 ZINC000252408122 352376335 /nfs/dbraw/zinc/37/63/35/352376335.db2.gz IKENJHYZPILXDX-DDHJBXDOSA-N 1 3 253.346 -0.548 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[NH2+]C[C@H]2C)CC1 ZINC000261685757 352393099 /nfs/dbraw/zinc/39/30/99/352393099.db2.gz AIXGFCRKFADVDX-GFCCVEGCSA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262367256 352419355 /nfs/dbraw/zinc/41/93/55/352419355.db2.gz JNGOSWBUICJCFQ-VOAKCMCISA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CCC(C)CC1 ZINC000262444467 352421566 /nfs/dbraw/zinc/42/15/66/352421566.db2.gz TXVJUBHOHHBLEM-AGIUHOORSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262513932 352424217 /nfs/dbraw/zinc/42/42/17/352424217.db2.gz MPFABAJCRQHCAK-FDYHWXHSSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262513939 352424666 /nfs/dbraw/zinc/42/46/66/352424666.db2.gz MPFABAJCRQHCAK-FVCCEPFGSA-N 1 3 269.389 -0.054 20 0 CBADHO CCN1CCN(CCC(=O)NC(C)(C)C[NH3+])CC1 ZINC000262538218 352425662 /nfs/dbraw/zinc/42/56/62/352425662.db2.gz CWDJOLQFVOUOAL-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000262721003 352431452 /nfs/dbraw/zinc/43/14/52/352431452.db2.gz FQVGFYXRBQRQKB-JHJVBQTASA-N 1 3 296.415 -0.489 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000262778749 352433891 /nfs/dbraw/zinc/43/38/91/352433891.db2.gz KQWPWYZEYBWAHP-CQSZACIVSA-N 1 3 299.415 -0.079 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000262079780 352406008 /nfs/dbraw/zinc/40/60/08/352406008.db2.gz KOPFUDPNMUUEIY-UMNHJUIQSA-N 1 3 270.377 -0.705 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443086 352675992 /nfs/dbraw/zinc/67/59/92/352675992.db2.gz LWPUVFXJPYMWRB-AAEUAGOBSA-N 1 3 294.399 -0.144 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443086 352675995 /nfs/dbraw/zinc/67/59/95/352675995.db2.gz LWPUVFXJPYMWRB-AAEUAGOBSA-N 1 3 294.399 -0.144 20 0 CBADHO CC(C(=O)N[C@@H]1CC[NH2+]CC1(C)C)S(C)(=O)=O ZINC000302395127 352740072 /nfs/dbraw/zinc/74/00/72/352740072.db2.gz GKWOPULEJUXBNB-DTWKUNHWSA-N 1 3 262.375 -0.076 20 0 CBADHO COCC[N@H+](C)C[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000312676944 352776081 /nfs/dbraw/zinc/77/60/81/352776081.db2.gz CJAMOGOUJJZOJR-YPMHNXCESA-N 1 3 285.392 -0.127 20 0 CBADHO COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000312676944 352776084 /nfs/dbraw/zinc/77/60/84/352776084.db2.gz CJAMOGOUJJZOJR-YPMHNXCESA-N 1 3 285.392 -0.127 20 0 CBADHO CCN(C)C[C@H](O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308646658 352754095 /nfs/dbraw/zinc/75/40/95/352754095.db2.gz GWYRCJMHSJYXFQ-CYBMUJFWSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@@H]([NH3+])C1CCN(CCS(=O)(=O)N(C)C)CC1 ZINC000310156331 352757958 /nfs/dbraw/zinc/75/79/58/352757958.db2.gz OPXLTLCZSAWYTF-SNVBAGLBSA-N 1 3 263.407 -0.063 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000311092252 352765763 /nfs/dbraw/zinc/76/57/63/352765763.db2.gz ZBMYWWOQDARPIF-TUAOUCFPSA-N 1 3 257.378 -0.115 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000311092252 352765764 /nfs/dbraw/zinc/76/57/64/352765764.db2.gz ZBMYWWOQDARPIF-TUAOUCFPSA-N 1 3 257.378 -0.115 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331403065 352912875 /nfs/dbraw/zinc/91/28/75/352912875.db2.gz DNUGPNFIYZOMEB-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@@H]1[NH3+] ZINC000332218788 352940604 /nfs/dbraw/zinc/94/06/04/352940604.db2.gz IOHPBSNGTREBFQ-WOPDTQHZSA-N 1 3 280.372 -0.901 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000332305957 352943173 /nfs/dbraw/zinc/94/31/73/352943173.db2.gz IAFNSXWOTRYVNQ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)CN1 ZINC000333481154 353001528 /nfs/dbraw/zinc/00/15/28/353001528.db2.gz CCRSSUPSXVWPIA-WOPDTQHZSA-N 1 3 270.377 -0.243 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000333730441 353009356 /nfs/dbraw/zinc/00/93/56/353009356.db2.gz WBCKIQBSXLSPJQ-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000333730441 353009357 /nfs/dbraw/zinc/00/93/57/353009357.db2.gz WBCKIQBSXLSPJQ-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333913157 353013753 /nfs/dbraw/zinc/01/37/53/353013753.db2.gz FQPITZGTXBPKOS-YNEHKIRRSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333913157 353013754 /nfs/dbraw/zinc/01/37/54/353013754.db2.gz FQPITZGTXBPKOS-YNEHKIRRSA-N 1 3 282.388 -0.099 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(N)CCOCC1 ZINC000338137447 353086293 /nfs/dbraw/zinc/08/62/93/353086293.db2.gz BHGPVTISSROBKQ-LBPRGKRZSA-N 1 3 287.404 -0.033 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000340183842 353154964 /nfs/dbraw/zinc/15/49/64/353154964.db2.gz HVNHOCMNVVUGSV-GFCCVEGCSA-N 1 3 256.394 -0.180 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)C[NH+]1CCCC1 ZINC000340763903 353185001 /nfs/dbraw/zinc/18/50/01/353185001.db2.gz BACYFOFPODHGOQ-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340814167 353187691 /nfs/dbraw/zinc/18/76/91/353187691.db2.gz GMXYQYYCTYNQMI-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340814167 353187693 /nfs/dbraw/zinc/18/76/93/353187693.db2.gz GMXYQYYCTYNQMI-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340922071 353193293 /nfs/dbraw/zinc/19/32/93/353193293.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340922071 353193296 /nfs/dbraw/zinc/19/32/96/353193296.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)C[N@H+]1CCOCCN1C[C@H](O)C[C@@H]1C ZINC000340922071 353193298 /nfs/dbraw/zinc/19/32/98/353193298.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)C[N@@H+]1CCOCCN1C[C@H](O)C[C@@H]1C ZINC000340922071 353193301 /nfs/dbraw/zinc/19/33/01/353193301.db2.gz XTDUTYLWJXQJEV-LVEBTZEWSA-N 1 3 272.389 -0.087 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000342766319 353231986 /nfs/dbraw/zinc/23/19/86/353231986.db2.gz UKUMGJHJLFGOJI-JTQLQIEISA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000342766319 353231988 /nfs/dbraw/zinc/23/19/88/353231988.db2.gz UKUMGJHJLFGOJI-JTQLQIEISA-N 1 3 259.350 -0.277 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000342699729 353228090 /nfs/dbraw/zinc/22/80/90/353228090.db2.gz AOJBLRXJZWYOAD-VXGBXAGGSA-N 1 3 282.388 -0.878 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000342700601 353228126 /nfs/dbraw/zinc/22/81/26/353228126.db2.gz XQHZSWFHXZEHTQ-LLVKDONJSA-N 1 3 271.361 -0.131 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342712390 353228891 /nfs/dbraw/zinc/22/88/91/353228891.db2.gz RMGZCUDXKZUYQT-GXSJLCMTSA-N 1 3 271.361 -0.134 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342712390 353228895 /nfs/dbraw/zinc/22/88/95/353228895.db2.gz RMGZCUDXKZUYQT-GXSJLCMTSA-N 1 3 271.361 -0.134 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343216972 353260126 /nfs/dbraw/zinc/26/01/26/353260126.db2.gz KPMNBUIQJURYCY-KBPBESRZSA-N 1 3 280.416 -0.166 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343216972 353260128 /nfs/dbraw/zinc/26/01/28/353260128.db2.gz KPMNBUIQJURYCY-KBPBESRZSA-N 1 3 280.416 -0.166 20 0 CBADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343603206 353280888 /nfs/dbraw/zinc/28/08/88/353280888.db2.gz RPDJCCDOHJZWDM-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419999776 295860360 /nfs/dbraw/zinc/86/03/60/295860360.db2.gz SMAZCOWJZLKNNU-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]1CN(CCOCCO)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343919654 353298672 /nfs/dbraw/zinc/29/86/72/353298672.db2.gz GYMFJOBZTQPKJL-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@H]1C[N@H+](CCOCCO)CC[C@H]1N1CCN(C)CC1 ZINC000343919654 353298675 /nfs/dbraw/zinc/29/86/75/353298675.db2.gz GYMFJOBZTQPKJL-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@H]1C[N@@H+](CCOCCO)CC[C@H]1N1CCN(C)CC1 ZINC000343919654 353298677 /nfs/dbraw/zinc/29/86/77/353298677.db2.gz GYMFJOBZTQPKJL-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CN(CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351556125 353475870 /nfs/dbraw/zinc/47/58/70/353475870.db2.gz NLHFCDPTHQZWSQ-NSHDSACASA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000354709740 353579653 /nfs/dbraw/zinc/57/96/53/353579653.db2.gz KDDFOZVJNLYRRZ-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO CN1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354721127 353580534 /nfs/dbraw/zinc/58/05/34/353580534.db2.gz VWYPUZZDASRAQS-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357903375 353613026 /nfs/dbraw/zinc/61/30/26/353613026.db2.gz GGZBDJHIAUFOTE-UONOGXRCSA-N 1 3 299.415 -0.285 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)C1 ZINC000365091153 353672559 /nfs/dbraw/zinc/67/25/59/353672559.db2.gz MQJZNYXTXPBOES-USZNOCQGSA-N 1 3 287.429 -0.133 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1C1CC1 ZINC000365103054 353672728 /nfs/dbraw/zinc/67/27/28/353672728.db2.gz AKAPOVFZMYPARN-CNVPUSNMSA-N 1 3 253.346 -0.549 20 0 CBADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1C1CC1 ZINC000365313101 353673781 /nfs/dbraw/zinc/67/37/81/353673781.db2.gz AKAPOVFZMYPARN-FSZOTQKASA-N 1 3 253.346 -0.549 20 0 CBADHO O[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793614 353687244 /nfs/dbraw/zinc/68/72/44/353687244.db2.gz YHRWRJYJANWEPP-ZIAGYGMSSA-N 1 3 296.411 -0.084 20 0 CBADHO O[C@@H]1CN(CCOCC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000368793614 353687250 /nfs/dbraw/zinc/68/72/50/353687250.db2.gz YHRWRJYJANWEPP-ZIAGYGMSSA-N 1 3 296.411 -0.084 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000372505867 353717992 /nfs/dbraw/zinc/71/79/92/353717992.db2.gz NEJOWYJTWXIPQL-SCRDCRAPSA-N 1 3 267.373 -0.177 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376062483 353771322 /nfs/dbraw/zinc/77/13/22/353771322.db2.gz SCAABZLDWJBCRG-XQQFMLRXSA-N 1 3 268.405 -0.134 20 0 CBADHO CC[C@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000378203247 353780094 /nfs/dbraw/zinc/78/00/94/353780094.db2.gz HTNNIGDGAPAWLK-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CC[C@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000378203247 353780096 /nfs/dbraw/zinc/78/00/96/353780096.db2.gz HTNNIGDGAPAWLK-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CO[C@]1(CNC[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400644 353784361 /nfs/dbraw/zinc/78/43/61/353784361.db2.gz WLMKXOKMXBVQPS-STQMWFEESA-N 1 3 258.362 -0.163 20 0 CBADHO CO[C@]1(CNC[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400644 353784362 /nfs/dbraw/zinc/78/43/62/353784362.db2.gz WLMKXOKMXBVQPS-STQMWFEESA-N 1 3 258.362 -0.163 20 0 CBADHO CCNC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000411738564 353940208 /nfs/dbraw/zinc/94/02/08/353940208.db2.gz UKCRKXNAZUNAQE-UHFFFAOYSA-N 1 3 258.410 -0.062 20 0 CBADHO [NH3+]C[C@H](NC(=O)NCCNc1ccncc1)C1CC1 ZINC000418400329 353996704 /nfs/dbraw/zinc/99/67/04/353996704.db2.gz MJFIGLBJDMWSCX-LBPRGKRZSA-N 1 3 263.345 -0.048 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000417087283 353975630 /nfs/dbraw/zinc/97/56/30/353975630.db2.gz DXCWSYXCQBSHRF-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CCN(CCNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000417433090 353977297 /nfs/dbraw/zinc/97/72/97/353977297.db2.gz UYANQUOHPHINOX-LBPRGKRZSA-N 1 3 270.377 -0.160 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000417581816 353980358 /nfs/dbraw/zinc/98/03/58/353980358.db2.gz GUDCORUSJLEUPJ-GFCCVEGCSA-N 1 3 272.393 -0.177 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NCCN(C)CCCOC ZINC000417760310 353982958 /nfs/dbraw/zinc/98/29/58/353982958.db2.gz XMAGXRMXVWEITR-LLVKDONJSA-N 1 3 260.382 -0.009 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)NCCN(C)CCCOC)C1 ZINC000417741315 353983077 /nfs/dbraw/zinc/98/30/77/353983077.db2.gz ADBRFQRGZXGBHK-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417748080 353983409 /nfs/dbraw/zinc/98/34/09/353983409.db2.gz HYRDJDZISGQFFW-LBPRGKRZSA-N 1 3 272.393 -0.009 20 0 CBADHO C[C@H]1CCN[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812532 353983477 /nfs/dbraw/zinc/98/34/77/353983477.db2.gz OLXDRPCIOUIQES-NWDGAFQWSA-N 1 3 254.378 -0.604 20 0 CBADHO CC1(C)CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCN1 ZINC000417830219 353984057 /nfs/dbraw/zinc/98/40/57/353984057.db2.gz IYPBVQODCCEURA-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)NCCOCCN(C)C)C1 ZINC000418062195 353987588 /nfs/dbraw/zinc/98/75/88/353987588.db2.gz FLCSAWOCQFVFJY-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CC[NH2+]C1 ZINC000418374687 353994662 /nfs/dbraw/zinc/99/46/62/353994662.db2.gz GYCTUIHGMHYVQN-NEPJUHHUSA-N 1 3 270.377 -0.506 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418362972 353994768 /nfs/dbraw/zinc/99/47/68/353994768.db2.gz BOEKQIJLNJJNCP-CHWSQXEVSA-N 1 3 286.420 -0.012 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418389536 353995754 /nfs/dbraw/zinc/99/57/54/353995754.db2.gz UAONRLSJQSDPOL-CHWSQXEVSA-N 1 3 284.404 -0.260 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCCCN1CCO ZINC000418379730 353996196 /nfs/dbraw/zinc/99/61/96/353996196.db2.gz WGNQEGUSKLZOGQ-CHWSQXEVSA-N 1 3 284.404 -0.116 20 0 CBADHO C[C@H]1C[C@@H](CN(C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651146 353963510 /nfs/dbraw/zinc/96/35/10/353963510.db2.gz FFELTSQBZFVGDT-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO C[C@H](O)C(=O)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705410 353963568 /nfs/dbraw/zinc/96/35/68/353963568.db2.gz LOOHFWGXKNZPSL-FRRDWIJNSA-N 1 3 269.389 -0.101 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419233419 354040173 /nfs/dbraw/zinc/04/01/73/354040173.db2.gz GTSXNVKZOJUMDF-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419234350 354040344 /nfs/dbraw/zinc/04/03/44/354040344.db2.gz HYTYNZZVTFXXIQ-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](N)c1ccccc1 ZINC000418442354 353998268 /nfs/dbraw/zinc/99/82/68/353998268.db2.gz DPKFQJRGOXSREK-KBPBESRZSA-N 1 3 291.399 -0.111 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000418491448 353999193 /nfs/dbraw/zinc/99/91/93/353999193.db2.gz OGTLITDSDRBSAZ-HTQZYQBOSA-N 1 3 250.293 -0.122 20 0 CBADHO [NH3+][C@@H](CNC(=O)NCCNc1ccncc1)C1CC1 ZINC000418502983 354000621 /nfs/dbraw/zinc/00/06/21/354000621.db2.gz WEVKDKOERWBPOA-LBPRGKRZSA-N 1 3 263.345 -0.048 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418614688 354004573 /nfs/dbraw/zinc/00/45/73/354004573.db2.gz GIMGLLWQKOLZOQ-OCCSQVGLSA-N 1 3 284.404 -0.130 20 0 CBADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000418769572 354008117 /nfs/dbraw/zinc/00/81/17/354008117.db2.gz PXPYXOHESCUDPK-UTUOFQBUSA-N 1 3 270.377 -0.256 20 0 CBADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000418827201 354010787 /nfs/dbraw/zinc/01/07/87/354010787.db2.gz DHEMLEJZQZVKFL-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418955462 354017713 /nfs/dbraw/zinc/01/77/13/354017713.db2.gz YFHYKWBURCOJAQ-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026311 354025084 /nfs/dbraw/zinc/02/50/84/354025084.db2.gz NKSVOAXCQLZYFJ-FRRDWIJNSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032408 354025276 /nfs/dbraw/zinc/02/52/76/354025276.db2.gz WMQLSZWONGXIHN-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419080737 354027080 /nfs/dbraw/zinc/02/70/80/354027080.db2.gz QFMCJNRPRWOAQE-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419081217 354027096 /nfs/dbraw/zinc/02/70/96/354027096.db2.gz RHTSMVBRUXSKOQ-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419083624 354027391 /nfs/dbraw/zinc/02/73/91/354027391.db2.gz XAPMLILZFDQDSF-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)C1CC1 ZINC000419082853 354027590 /nfs/dbraw/zinc/02/75/90/354027590.db2.gz AYYHTZRHVISRTG-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419083623 354027601 /nfs/dbraw/zinc/02/76/01/354027601.db2.gz XAPMLILZFDQDSF-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[NH2+]C ZINC000419071419 354027822 /nfs/dbraw/zinc/02/78/22/354027822.db2.gz AAJCDUFMHUAFBU-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000419111742 354028748 /nfs/dbraw/zinc/02/87/48/354028748.db2.gz UNLUOZBAQYQGPN-NWDGAFQWSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419126845 354029983 /nfs/dbraw/zinc/02/99/83/354029983.db2.gz YNCZWUOARLXZIC-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419283244 354043310 /nfs/dbraw/zinc/04/33/10/354043310.db2.gz JLUUKDSENDADBU-BETUJISGSA-N 1 3 296.415 -0.488 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419874520 354087753 /nfs/dbraw/zinc/08/77/53/354087753.db2.gz WBWJLTDZVFGUQS-CHWSQXEVSA-N 1 3 296.415 -0.219 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419576282 354063102 /nfs/dbraw/zinc/06/31/02/354063102.db2.gz BULQLUPYVYIBNR-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000419579428 354063565 /nfs/dbraw/zinc/06/35/65/354063565.db2.gz GAJXYLWGGKYFLN-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419580438 354063579 /nfs/dbraw/zinc/06/35/79/354063579.db2.gz HKQSXKPRLKACGP-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419579897 354063702 /nfs/dbraw/zinc/06/37/02/354063702.db2.gz GXNUMRNJHGXAJA-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419578054 354063799 /nfs/dbraw/zinc/06/37/99/354063799.db2.gz DTVJKOJXDFRNBD-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419583978 354064174 /nfs/dbraw/zinc/06/41/74/354064174.db2.gz KUJCEOURJARHRE-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419585261 354064272 /nfs/dbraw/zinc/06/42/72/354064272.db2.gz LWBCQIWODZHVKK-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419580439 354064299 /nfs/dbraw/zinc/06/42/99/354064299.db2.gz HKQSXKPRLKACGP-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N(C)C1CC1 ZINC000419590906 354064648 /nfs/dbraw/zinc/06/46/48/354064648.db2.gz QUKZTBRORVYRGE-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C1CC1 ZINC000419596386 354064844 /nfs/dbraw/zinc/06/48/44/354064844.db2.gz YAVQXBFWMQSICM-JOYOIKCWSA-N 1 3 282.388 -0.561 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419596375 354065623 /nfs/dbraw/zinc/06/56/23/354065623.db2.gz YADWEWAPNASUBV-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419877564 354087988 /nfs/dbraw/zinc/08/79/88/354087988.db2.gz REEIMCKPWGWIHO-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419739252 354073762 /nfs/dbraw/zinc/07/37/62/354073762.db2.gz VYXQBCQGFYKAMI-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN(CC)CC ZINC000419736741 354073960 /nfs/dbraw/zinc/07/39/60/354073960.db2.gz RYMSBWKYGFJXOO-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419735360 354074216 /nfs/dbraw/zinc/07/42/16/354074216.db2.gz QAASWJIMFFTOMT-OAHLLOKOSA-N 1 3 298.431 -0.050 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419739870 354074639 /nfs/dbraw/zinc/07/46/39/354074639.db2.gz WXHVYJGSJNHKJV-UHFFFAOYSA-N 1 3 286.420 -0.112 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419758166 354075161 /nfs/dbraw/zinc/07/51/61/354075161.db2.gz DPQRUCKDBJTVDY-NSHDSACASA-N 1 3 272.393 -0.455 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419770002 354076357 /nfs/dbraw/zinc/07/63/57/354076357.db2.gz FGPSUHHWHRKDKO-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419770003 354076379 /nfs/dbraw/zinc/07/63/79/354076379.db2.gz FGPSUHHWHRKDKO-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419782605 354077253 /nfs/dbraw/zinc/07/72/53/354077253.db2.gz UJYHIMXZJOKCKB-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419835976 354082035 /nfs/dbraw/zinc/08/20/35/354082035.db2.gz BAHCHIPOLCXIGU-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839378 354083491 /nfs/dbraw/zinc/08/34/91/354083491.db2.gz HGXZCIOAUJPUAK-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419846513 354083757 /nfs/dbraw/zinc/08/37/57/354083757.db2.gz QBDSWSHBWFEGTC-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419849210 354085058 /nfs/dbraw/zinc/08/50/58/354085058.db2.gz XYHDESZKCGJZFE-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419860524 354086409 /nfs/dbraw/zinc/08/64/09/354086409.db2.gz KYQBWJYUVMUBPY-VXGBXAGGSA-N 1 3 282.388 -0.608 20 0 CBADHO CCCN(C(=O)CCOC1CNC1)[C@H]1CC[NH2+]C1 ZINC000349023728 282993795 /nfs/dbraw/zinc/99/37/95/282993795.db2.gz CLPQGWXBGSXOOO-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419287769 354044604 /nfs/dbraw/zinc/04/46/04/354044604.db2.gz QMOUAAWOQUODME-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419405148 354051185 /nfs/dbraw/zinc/05/11/85/354051185.db2.gz HIBJRYDEUGOAON-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO C[N@H+](CCCNC(=O)C(=O)NCCN)C1CCCCC1 ZINC000419406358 354051792 /nfs/dbraw/zinc/05/17/92/354051792.db2.gz IQSJYCHJDDIVCT-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[N@@H+](CCCNC(=O)C(=O)NCCN)C1CCCCC1 ZINC000419406358 354051794 /nfs/dbraw/zinc/05/17/94/354051794.db2.gz IQSJYCHJDDIVCT-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419408445 354052608 /nfs/dbraw/zinc/05/26/08/354052608.db2.gz LOMFVMBRSVINMG-AAEUAGOBSA-N 1 3 296.415 -0.312 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000419411508 354052667 /nfs/dbraw/zinc/05/26/67/354052667.db2.gz PWQFNLNLEIKKGS-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419413092 354052684 /nfs/dbraw/zinc/05/26/84/354052684.db2.gz RPANLOUQGCZKOQ-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419410011 354052714 /nfs/dbraw/zinc/05/27/14/354052714.db2.gz NWTALLJIIPRYNG-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419414706 354052724 /nfs/dbraw/zinc/05/27/24/354052724.db2.gz UHVHOPVOHVVDJF-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419417649 354053261 /nfs/dbraw/zinc/05/32/61/354053261.db2.gz XKDQVIPLMSBREC-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419415254 354053454 /nfs/dbraw/zinc/05/34/54/354053454.db2.gz VDHCPDYSCYPKCP-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419417048 354053527 /nfs/dbraw/zinc/05/35/27/354053527.db2.gz HQPFIXQLSLDNBR-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419423376 354053553 /nfs/dbraw/zinc/05/35/53/354053553.db2.gz NGVUXQKNABBEHZ-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419415204 354053609 /nfs/dbraw/zinc/05/36/09/354053609.db2.gz UWVHNXZSZYVUNN-NWDGAFQWSA-N 1 3 284.404 -0.455 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419419089 354053654 /nfs/dbraw/zinc/05/36/54/354053654.db2.gz YVRZDFDOABPREJ-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419417050 354053727 /nfs/dbraw/zinc/05/37/27/354053727.db2.gz HQPFIXQLSLDNBR-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419419460 354053862 /nfs/dbraw/zinc/05/38/62/354053862.db2.gz ZAACHTJPASXEQM-BETUJISGSA-N 1 3 298.431 -0.112 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419419460 354053864 /nfs/dbraw/zinc/05/38/64/354053864.db2.gz ZAACHTJPASXEQM-BETUJISGSA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000419502244 354056884 /nfs/dbraw/zinc/05/68/84/354056884.db2.gz CLYLYFYVGBLMKZ-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000419519087 354057343 /nfs/dbraw/zinc/05/73/43/354057343.db2.gz FOKHISIYAZSAQY-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1CC1 ZINC000419509227 354057742 /nfs/dbraw/zinc/05/77/42/354057742.db2.gz DSWXUXDWXSPSCA-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419525210 354058147 /nfs/dbraw/zinc/05/81/47/354058147.db2.gz RCOLJTGNDWEGJG-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419527011 354058695 /nfs/dbraw/zinc/05/86/95/354058695.db2.gz URIARJDIFFLSSE-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000420596553 354132581 /nfs/dbraw/zinc/13/25/81/354132581.db2.gz HNCFDCVXPIXAQR-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894243 354090590 /nfs/dbraw/zinc/09/05/90/354090590.db2.gz QSWJEJURGLTDDR-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000419954783 354096477 /nfs/dbraw/zinc/09/64/77/354096477.db2.gz QVRUYVUCLNLKFQ-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000419960721 354097294 /nfs/dbraw/zinc/09/72/94/354097294.db2.gz WRPYRBRXPKJTAC-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419964347 354098225 /nfs/dbraw/zinc/09/82/25/354098225.db2.gz XEVFDVDDEOAKIT-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420014427 354101939 /nfs/dbraw/zinc/10/19/39/354101939.db2.gz KECGEMQGQVRPFB-NSHDSACASA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN ZINC000420017746 354103367 /nfs/dbraw/zinc/10/33/67/354103367.db2.gz WHGZELUHXIUECA-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000420153353 354113843 /nfs/dbraw/zinc/11/38/43/354113843.db2.gz GMESAOGYAYFSGO-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CCC(=O)N1CCN(C)CC1)[C@H](C[NH3+])C1CC1 ZINC000420310821 354123110 /nfs/dbraw/zinc/12/31/10/354123110.db2.gz GWZQBFDBNGEGMY-CYBMUJFWSA-N 1 3 268.405 -0.180 20 0 CBADHO CN1CCN(C(=O)CC[N@H+](C)[C@H](CN)C2CC2)CC1 ZINC000420310821 354123112 /nfs/dbraw/zinc/12/31/12/354123112.db2.gz GWZQBFDBNGEGMY-CYBMUJFWSA-N 1 3 268.405 -0.180 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+](C)[C@H](CN)C2CC2)CC1 ZINC000420310821 354123114 /nfs/dbraw/zinc/12/31/14/354123114.db2.gz GWZQBFDBNGEGMY-CYBMUJFWSA-N 1 3 268.405 -0.180 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000423228094 354165470 /nfs/dbraw/zinc/16/54/70/354165470.db2.gz YDOYECNKXWOLSZ-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@H]1[NH3+] ZINC000423246394 354165617 /nfs/dbraw/zinc/16/56/17/354165617.db2.gz ZKMVCQJYJGEEDE-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@H]1[NH3+] ZINC000423246393 354165961 /nfs/dbraw/zinc/16/59/61/354165961.db2.gz ZKMVCQJYJGEEDE-GRYCIOLGSA-N 1 3 282.388 -0.655 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423203023 354166043 /nfs/dbraw/zinc/16/60/43/354166043.db2.gz BSADKDSMULVBET-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1N(C)C ZINC000423355496 354171703 /nfs/dbraw/zinc/17/17/03/354171703.db2.gz PCFJJIJXOWHKEU-UTUOFQBUSA-N 1 3 282.388 -0.655 20 0 CBADHO CN(CCN)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000423405792 354174415 /nfs/dbraw/zinc/17/44/15/354174415.db2.gz ZRQSRZWIQGBGCD-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(CCN)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000423405792 354174418 /nfs/dbraw/zinc/17/44/18/354174418.db2.gz ZRQSRZWIQGBGCD-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000422044307 354141908 /nfs/dbraw/zinc/14/19/08/354141908.db2.gz XLPBOUBCFYIDJG-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000422044307 354141910 /nfs/dbraw/zinc/14/19/10/354141910.db2.gz XLPBOUBCFYIDJG-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000422974696 354158376 /nfs/dbraw/zinc/15/83/76/354158376.db2.gz RSYLASQDCPUNKG-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422972969 354158888 /nfs/dbraw/zinc/15/88/88/354158888.db2.gz NGGHTXUTYKNGRG-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423058945 354161132 /nfs/dbraw/zinc/16/11/32/354161132.db2.gz DKNGTVRKVPPVQU-XQQFMLRXSA-N 1 3 296.415 -0.408 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000423523858 354178671 /nfs/dbraw/zinc/17/86/71/354178671.db2.gz NUOPJLLUKYQBFO-LLVKDONJSA-N 1 3 282.388 -0.641 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423573796 354180665 /nfs/dbraw/zinc/18/06/65/354180665.db2.gz ZPWBOSKPVKQIJD-XQQFMLRXSA-N 1 3 294.399 -0.369 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423580186 354181555 /nfs/dbraw/zinc/18/15/55/354181555.db2.gz RCPJFZKLJICLGA-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423586821 354181738 /nfs/dbraw/zinc/18/17/38/354181738.db2.gz BPLRGNHRGUXADJ-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623579 354185789 /nfs/dbraw/zinc/18/57/89/354185789.db2.gz OLWAIWGPLYGHOY-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423624949 354185843 /nfs/dbraw/zinc/18/58/43/354185843.db2.gz QKMKVVSKKMEWLM-CYBMUJFWSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000423638376 354187892 /nfs/dbraw/zinc/18/78/92/354187892.db2.gz DPNMJFBCIWYNPY-WOPDTQHZSA-N 1 3 282.388 -0.655 20 0 CBADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000423670164 354190428 /nfs/dbraw/zinc/19/04/28/354190428.db2.gz LVXLGBYGNKWADQ-JHJVBQTASA-N 1 3 269.389 -0.019 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423715853 354192563 /nfs/dbraw/zinc/19/25/63/354192563.db2.gz HUQGSMAHEUFHOW-WDEREUQCSA-N 1 3 270.377 -0.655 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000423716160 354192574 /nfs/dbraw/zinc/19/25/74/354192574.db2.gz IASDAMKCUSBIRY-NEPJUHHUSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423716677 354193941 /nfs/dbraw/zinc/19/39/41/354193941.db2.gz IVTVVMHUWAXOKF-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423718713 354194202 /nfs/dbraw/zinc/19/42/02/354194202.db2.gz DIDWLVTWTZSOTR-LBPRGKRZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCC[C@@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)C ZINC000423724896 354194226 /nfs/dbraw/zinc/19/42/26/354194226.db2.gz RXYRATAQKLZYDX-RYUDHWBXSA-N 1 3 256.394 -0.264 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000423729265 354194710 /nfs/dbraw/zinc/19/47/10/354194710.db2.gz UZEBNCUZLCLIOC-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)COC2CNC2)C1 ZINC000424080450 354209270 /nfs/dbraw/zinc/20/92/70/354209270.db2.gz TZHIFDUOXVVVOF-NSHDSACASA-N 1 3 261.325 -0.109 20 0 CBADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N(C)C ZINC000424157186 354212545 /nfs/dbraw/zinc/21/25/45/354212545.db2.gz PNNWGKYQZVBTMG-MNOVXSKESA-N 1 3 280.376 -0.118 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N)CCOCC2)C[C@@]1(C)C[NH3+] ZINC000424187658 354216369 /nfs/dbraw/zinc/21/63/69/354216369.db2.gz BACSOONWYVMGNC-ZYHUDNBSSA-N 1 3 255.362 -0.062 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423517004 354178500 /nfs/dbraw/zinc/17/85/00/354178500.db2.gz HKNLNFIJGOLOPU-UHFFFAOYSA-N 1 3 298.431 -0.018 20 0 CBADHO Cn1c(C[NH2+][C@@](C)(CN)C2CC2)cc(=O)n(C)c1=O ZINC000430566641 354249597 /nfs/dbraw/zinc/24/95/97/354249597.db2.gz HKVBOZUFPFBTOG-ZDUSSCGKSA-N 1 3 266.345 -0.699 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000431032842 354251404 /nfs/dbraw/zinc/25/14/04/354251404.db2.gz FBWGJPMIAHJGCB-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000431032842 354251408 /nfs/dbraw/zinc/25/14/08/354251408.db2.gz FBWGJPMIAHJGCB-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)CN1CCN(C)CC1 ZINC000431016188 354251541 /nfs/dbraw/zinc/25/15/41/354251541.db2.gz YVUMLOZCEFMTFX-KGLIPLIRSA-N 1 3 298.431 -0.635 20 0 CBADHO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424289214 354222938 /nfs/dbraw/zinc/22/29/38/354222938.db2.gz BQEUUVQFCAQZKA-HBNTYKKESA-N 1 3 286.376 -0.293 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424474753 354225598 /nfs/dbraw/zinc/22/55/98/354225598.db2.gz IROFYMZHUIRYRZ-WCFLWFBJSA-N 1 3 294.403 -0.194 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@@H]21 ZINC000452968403 354353258 /nfs/dbraw/zinc/35/32/58/354353258.db2.gz BSSBXQZLODOQBF-RDBSUJKOSA-N 1 3 278.400 -0.461 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@@H]21 ZINC000452968403 354353261 /nfs/dbraw/zinc/35/32/61/354353261.db2.gz BSSBXQZLODOQBF-RDBSUJKOSA-N 1 3 278.400 -0.461 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000459904273 354393274 /nfs/dbraw/zinc/39/32/74/354393274.db2.gz ZLOCERQHQDCBCR-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514616222 354555083 /nfs/dbraw/zinc/55/50/83/354555083.db2.gz MTLVFVOKNUCJID-VLEAKVRGSA-N 1 3 268.361 -0.870 20 0 CBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000535715297 354602687 /nfs/dbraw/zinc/60/26/87/354602687.db2.gz JXPLZVLJNYBKRU-ZFWWWQNUSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000535715297 354602688 /nfs/dbraw/zinc/60/26/88/354602688.db2.gz JXPLZVLJNYBKRU-ZFWWWQNUSA-N 1 3 292.427 -0.023 20 0 CBADHO COC[C@@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000537567799 354610292 /nfs/dbraw/zinc/61/02/92/354610292.db2.gz YPAAMQCFTRONAG-KKUMJFAQSA-N 1 3 285.432 -0.049 20 0 CBADHO CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1CCN(C2CC2)C1 ZINC000562821206 354688957 /nfs/dbraw/zinc/68/89/57/354688957.db2.gz ZYBBVMFDHMICPM-KBPBESRZSA-N 1 3 295.431 -0.232 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000562957624 354689994 /nfs/dbraw/zinc/68/99/94/354689994.db2.gz LIUZTNRKDRAIAO-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000562971808 354690128 /nfs/dbraw/zinc/69/01/28/354690128.db2.gz XEKVUGUSKFTXOA-MNOVXSKESA-N 1 3 253.346 -0.282 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)COC2CNC2)C1 ZINC000563063279 354693289 /nfs/dbraw/zinc/69/32/89/354693289.db2.gz WCFFRHFRRJORQC-LLVKDONJSA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNC(=O)COC2CNC2)C1 ZINC000563063279 354693293 /nfs/dbraw/zinc/69/32/93/354693293.db2.gz WCFFRHFRRJORQC-LLVKDONJSA-N 1 3 255.362 -0.179 20 0 CBADHO [NH3+]CCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000563074961 354694740 /nfs/dbraw/zinc/69/47/40/354694740.db2.gz OXVNLBNPPVCOMQ-UHFFFAOYSA-N 1 3 296.415 -0.118 20 0 CBADHO C[C@H](C[NH3+])C(=O)N(C)CCCN1CCN(C)CC1 ZINC000563083537 354695130 /nfs/dbraw/zinc/69/51/30/354695130.db2.gz PLAVVPMVWJCHCD-GFCCVEGCSA-N 1 3 256.394 -0.323 20 0 CBADHO CN1CCC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563198269 354701754 /nfs/dbraw/zinc/70/17/54/354701754.db2.gz NEOXQXSRUSPDGZ-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO COC[C@@](C)(CC(=O)OC)NCCN1CC[NH2+]CC1 ZINC000563811765 354706349 /nfs/dbraw/zinc/70/63/49/354706349.db2.gz NQVILSJEJRXMJN-CYBMUJFWSA-N 1 3 273.377 -0.551 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000564726583 354715522 /nfs/dbraw/zinc/71/55/22/354715522.db2.gz NMTVOISCSLIROO-HNNXBMFYSA-N 1 3 298.431 -0.634 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000564732995 354715980 /nfs/dbraw/zinc/71/59/80/354715980.db2.gz KFHJBQMUDYDSPO-DZGCQCFKSA-N 1 3 298.431 -0.899 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000564732998 354715985 /nfs/dbraw/zinc/71/59/85/354715985.db2.gz KFHJBQMUDYDSPO-ZFWWWQNUSA-N 1 3 298.431 -0.899 20 0 CBADHO CC[NH+](CC)CCCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565237015 354733941 /nfs/dbraw/zinc/73/39/41/354733941.db2.gz ASVZBBFHLWWZCQ-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000565040792 354726362 /nfs/dbraw/zinc/72/63/62/354726362.db2.gz XVWFWDALVORDQE-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000567582940 354790493 /nfs/dbraw/zinc/79/04/93/354790493.db2.gz DYVIFITXOVVMIH-ZNMIVQPWSA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000567582940 354790496 /nfs/dbraw/zinc/79/04/96/354790496.db2.gz DYVIFITXOVVMIH-ZNMIVQPWSA-N 1 3 292.427 -0.071 20 0 CBADHO O=C(COC1CNC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000565950923 354749627 /nfs/dbraw/zinc/74/96/27/354749627.db2.gz ANOQWJRBBGVDGA-WCQYABFASA-N 1 3 267.373 -0.035 20 0 CBADHO COCCN(C)CCNC(=O)COC1CCC([NH3+])CC1 ZINC000566157753 354754566 /nfs/dbraw/zinc/75/45/66/354754566.db2.gz UKRSXEYCMOKMGB-UHFFFAOYSA-N 1 3 287.404 -0.033 20 0 CBADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000566244670 354759141 /nfs/dbraw/zinc/75/91/41/354759141.db2.gz OSWTYHNXNXURKD-LBPRGKRZSA-N 1 3 254.378 -0.521 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCN(CCCO)C1 ZINC000566510016 354770169 /nfs/dbraw/zinc/77/01/69/354770169.db2.gz ZIOKEEBWPUHPFM-RYUDHWBXSA-N 1 3 270.377 -0.506 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572196 354771792 /nfs/dbraw/zinc/77/17/92/354771792.db2.gz AHIIZLSDSJAQEN-WOPDTQHZSA-N 1 3 295.387 -0.918 20 0 CBADHO C[C@H](CNC(=O)CCOC1CNC1)[NH+]1CCCC1 ZINC000566854239 354776035 /nfs/dbraw/zinc/77/60/35/354776035.db2.gz ZIOUWBIQFOTHGK-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567096268 354780654 /nfs/dbraw/zinc/78/06/54/354780654.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 1 3 295.431 -0.247 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000567109382 354781582 /nfs/dbraw/zinc/78/15/82/354781582.db2.gz CIUMMZPRQDWFHF-RYUDHWBXSA-N 1 3 255.362 -0.048 20 0 CBADHO [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000567109380 354781588 /nfs/dbraw/zinc/78/15/88/354781588.db2.gz CIUMMZPRQDWFHF-NEPJUHHUSA-N 1 3 255.362 -0.048 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000567112002 354781627 /nfs/dbraw/zinc/78/16/27/354781627.db2.gz JJBQLHCRHIUHHY-DTWKUNHWSA-N 1 3 257.334 -0.476 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000565599313 354742237 /nfs/dbraw/zinc/74/22/37/354742237.db2.gz YSTHXGJUQKBDCN-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000565707715 354743934 /nfs/dbraw/zinc/74/39/34/354743934.db2.gz OJGPVBSWIXJZBY-UHFFFAOYSA-N 1 3 294.355 -0.742 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567817158 354798890 /nfs/dbraw/zinc/79/88/90/354798890.db2.gz UUTWASZUDMCZLK-GHMZBOCLSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000567910634 354804807 /nfs/dbraw/zinc/80/48/07/354804807.db2.gz AKYMSKJUSAWZKU-YPMHNXCESA-N 1 3 282.388 -0.561 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567735447 354795567 /nfs/dbraw/zinc/79/55/67/354795567.db2.gz GUFIXCUYZGBBHD-CQSZACIVSA-N 1 3 283.372 -0.307 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000567735446 354795699 /nfs/dbraw/zinc/79/56/99/354795699.db2.gz GUFIXCUYZGBBHD-AWEZNQCLSA-N 1 3 283.372 -0.307 20 0 CBADHO CCCCN(C)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000570676724 354867043 /nfs/dbraw/zinc/86/70/43/354867043.db2.gz VZTRHJBIWZVQRR-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO CCCC[N@H+](C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000570676724 354867045 /nfs/dbraw/zinc/86/70/45/354867045.db2.gz VZTRHJBIWZVQRR-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO CCCC[N@@H+](C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000570676724 354867047 /nfs/dbraw/zinc/86/70/47/354867047.db2.gz VZTRHJBIWZVQRR-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570799291 354869836 /nfs/dbraw/zinc/86/98/36/354869836.db2.gz LGQDKBPYYXGIOE-WDEREUQCSA-N 1 3 260.382 -0.010 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1(C)CC[NH2+]CC1 ZINC000571047737 354876186 /nfs/dbraw/zinc/87/61/86/354876186.db2.gz JCURHEPZVKUWIC-NSHDSACASA-N 1 3 270.377 -0.656 20 0 CBADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1(CN)CCC1 ZINC000569002593 354836851 /nfs/dbraw/zinc/83/68/51/354836851.db2.gz DWXZMBSZZZUQAA-GFCCVEGCSA-N 1 3 268.405 -0.003 20 0 CBADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1(CN)CCC1 ZINC000569002593 354836856 /nfs/dbraw/zinc/83/68/56/354836856.db2.gz DWXZMBSZZZUQAA-GFCCVEGCSA-N 1 3 268.405 -0.003 20 0 CBADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1(CN)CCC1 ZINC000569002594 354837518 /nfs/dbraw/zinc/83/75/18/354837518.db2.gz DWXZMBSZZZUQAA-LBPRGKRZSA-N 1 3 268.405 -0.003 20 0 CBADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1(CN)CCC1 ZINC000569002594 354837520 /nfs/dbraw/zinc/83/75/20/354837520.db2.gz DWXZMBSZZZUQAA-LBPRGKRZSA-N 1 3 268.405 -0.003 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569809889 354847242 /nfs/dbraw/zinc/84/72/42/354847242.db2.gz BFVFLFRMDFFICA-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO CCOC[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960520 354850605 /nfs/dbraw/zinc/85/06/05/354850605.db2.gz KQPQTRHSJJFPGF-CHWSQXEVSA-N 1 3 287.404 -0.439 20 0 CBADHO CCOC[C@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960520 354850610 /nfs/dbraw/zinc/85/06/10/354850610.db2.gz KQPQTRHSJJFPGF-CHWSQXEVSA-N 1 3 287.404 -0.439 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000569967542 354851423 /nfs/dbraw/zinc/85/14/23/354851423.db2.gz UGPXHNUOUBKZGT-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000569967542 354851428 /nfs/dbraw/zinc/85/14/28/354851428.db2.gz UGPXHNUOUBKZGT-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCC(=O)OC ZINC000570449384 354862350 /nfs/dbraw/zinc/86/23/50/354862350.db2.gz ZSRPEMUZNXLPKY-ZJUUUORDSA-N 1 3 259.350 -0.099 20 0 CBADHO CN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000570568705 354865088 /nfs/dbraw/zinc/86/50/88/354865088.db2.gz DWTTZWXEWQXIGO-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO O[C@H]1COCCN(CCCC[N@H+]2CCOC[C@H](O)C2)C1 ZINC000572031158 354885286 /nfs/dbraw/zinc/88/52/86/354885286.db2.gz DAKYJKMATNOUGX-ZIAGYGMSSA-N 1 3 288.388 -0.847 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000572256528 354890580 /nfs/dbraw/zinc/89/05/80/354890580.db2.gz OORQZQFBOBPFLI-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@H](CN)C1 ZINC000572347737 354891154 /nfs/dbraw/zinc/89/11/54/354891154.db2.gz MQWVXGDKRLBBJT-GFCCVEGCSA-N 1 3 283.420 -0.340 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000572721828 354895654 /nfs/dbraw/zinc/89/56/54/354895654.db2.gz GSQIQPDQAWSFBC-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000572721827 354895866 /nfs/dbraw/zinc/89/58/66/354895866.db2.gz GSQIQPDQAWSFBC-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573204210 354906637 /nfs/dbraw/zinc/90/66/37/354906637.db2.gz OINHDHZGMSOPBW-JQWIXIFHSA-N 1 3 253.346 -0.425 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000573221580 354907630 /nfs/dbraw/zinc/90/76/30/354907630.db2.gz IYUHWSSYMPDEAV-UHFFFAOYSA-N 1 3 258.366 -0.748 20 0 CBADHO COC(=O)CC1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000571885948 354882524 /nfs/dbraw/zinc/88/25/24/354882524.db2.gz BUNLHQGZMVTHQE-LLVKDONJSA-N 1 3 283.372 -0.131 20 0 CBADHO [NH3+][C@H]1CCc2nc(NC(=O)COC3CNC3)sc2C1 ZINC000573917738 354924229 /nfs/dbraw/zinc/92/42/29/354924229.db2.gz DQEDSMMRBSXTEJ-ZETCQYMHSA-N 1 3 282.369 -0.114 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000575138775 354934581 /nfs/dbraw/zinc/93/45/81/354934581.db2.gz MLBZBYABJFVJJB-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@H](NCC2(O)CCCC2)C1=O ZINC000577645941 354938245 /nfs/dbraw/zinc/93/82/45/354938245.db2.gz AQFWRHBDGULHJO-LBPRGKRZSA-N 1 3 297.399 -0.040 20 0 CBADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578454285 354946906 /nfs/dbraw/zinc/94/69/06/354946906.db2.gz VSYARZLHBSRSSU-UTUOFQBUSA-N 1 3 297.403 -0.543 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000578452271 354946935 /nfs/dbraw/zinc/94/69/35/354946935.db2.gz FUGAHUKLIVABKB-LBPRGKRZSA-N 1 3 256.394 -0.310 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)C23CCCN2CCC3)CCO1 ZINC000578890934 354957169 /nfs/dbraw/zinc/95/71/69/354957169.db2.gz YKPIQMRFTMOSID-NSHDSACASA-N 1 3 253.346 -0.199 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000578887214 354957275 /nfs/dbraw/zinc/95/72/75/354957275.db2.gz OHRCSVNTSLCVPR-CHWSQXEVSA-N 1 3 287.404 -0.441 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000573684884 354918955 /nfs/dbraw/zinc/91/89/55/354918955.db2.gz PXLZZELUGDCNOT-SKDRFNHKSA-N 1 3 257.334 -0.490 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124923 354963319 /nfs/dbraw/zinc/96/33/19/354963319.db2.gz YKGUEWRADOUVQH-NEPJUHHUSA-N 1 3 257.378 -0.148 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124923 354963321 /nfs/dbraw/zinc/96/33/21/354963321.db2.gz YKGUEWRADOUVQH-NEPJUHHUSA-N 1 3 257.378 -0.148 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)NCCCN2CCC(O)CC2)C1 ZINC000579477541 354971542 /nfs/dbraw/zinc/97/15/42/354971542.db2.gz IRYARYZAOIVOAL-PHIMTYICSA-N 1 3 255.362 -0.313 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cncn1C ZINC000579758128 354978451 /nfs/dbraw/zinc/97/84/51/354978451.db2.gz FSSAJIGSVKMGEQ-UHFFFAOYSA-N 1 3 281.404 -0.086 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000579837485 354980722 /nfs/dbraw/zinc/98/07/22/354980722.db2.gz FNOWHRBIGLXMLE-NXEZZACHSA-N 1 3 258.366 -0.752 20 0 CBADHO CO[C@@H]1CCN(C(=O)CCOC2CNC2)[C@H](C[NH3+])C1 ZINC000579946030 354983034 /nfs/dbraw/zinc/98/30/34/354983034.db2.gz MENYVISKJPQQSH-WDEREUQCSA-N 1 3 271.361 -0.670 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420027334 295894495 /nfs/dbraw/zinc/89/44/95/295894495.db2.gz KVHCWFZCYJMPLF-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CN1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1(C)C ZINC000580064584 354987218 /nfs/dbraw/zinc/98/72/18/354987218.db2.gz LGFZRIWKBGBNQX-AWEZNQCLSA-N 1 3 295.431 -0.140 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000580201230 354990957 /nfs/dbraw/zinc/99/09/57/354990957.db2.gz CJCAJVGODMKEOS-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740422 354996405 /nfs/dbraw/zinc/99/64/05/354996405.db2.gz NSUNMYUZTNGIMY-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000584871588 355040937 /nfs/dbraw/zinc/04/09/37/355040937.db2.gz HZLLJKPJOVOBFT-SMDDNHRTSA-N 1 3 282.388 -0.411 20 0 CBADHO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000584871588 355040939 /nfs/dbraw/zinc/04/09/39/355040939.db2.gz HZLLJKPJOVOBFT-SMDDNHRTSA-N 1 3 282.388 -0.411 20 0 CBADHO CC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582237826 355012019 /nfs/dbraw/zinc/01/20/19/355012019.db2.gz AOTGVWZHVJYUJO-GHMZBOCLSA-N 1 3 270.377 -0.573 20 0 CBADHO CC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582237826 355012023 /nfs/dbraw/zinc/01/20/23/355012023.db2.gz AOTGVWZHVJYUJO-GHMZBOCLSA-N 1 3 270.377 -0.573 20 0 CBADHO N[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870663 355022962 /nfs/dbraw/zinc/02/29/62/355022962.db2.gz JYIUVKQWSSYJOD-CHWSQXEVSA-N 1 3 290.367 -0.329 20 0 CBADHO CN1CCC(N2CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C2)CC1 ZINC000591736962 355112056 /nfs/dbraw/zinc/11/20/56/355112056.db2.gz VXPKMLJZTOUNHZ-LLVKDONJSA-N 1 3 297.403 -0.671 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(C)n1 ZINC000591287088 355093416 /nfs/dbraw/zinc/09/34/16/355093416.db2.gz JMORISXXOBONNV-UHFFFAOYSA-N 1 3 267.377 -0.015 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592293094 355146276 /nfs/dbraw/zinc/14/62/76/355146276.db2.gz QZDKYUWMWYBWTE-VHSXEESVSA-N 1 3 257.334 -0.475 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492181 355158394 /nfs/dbraw/zinc/15/83/94/355158394.db2.gz USCZOBZLSOQNEY-QWRGUYRKSA-N 1 3 268.361 -0.107 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[N@@H+]1C ZINC000594877967 355266875 /nfs/dbraw/zinc/26/68/75/355266875.db2.gz ITOWAGBRVOUPGX-KXNHARMFSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[N@H+]1C ZINC000594877967 355266878 /nfs/dbraw/zinc/26/68/78/355266878.db2.gz ITOWAGBRVOUPGX-KXNHARMFSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@@H+]1C ZINC000594877968 355266980 /nfs/dbraw/zinc/26/69/80/355266980.db2.gz ITOWAGBRVOUPGX-WRWGMCAJSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@H+]1C ZINC000594877968 355266983 /nfs/dbraw/zinc/26/69/83/355266983.db2.gz ITOWAGBRVOUPGX-WRWGMCAJSA-N 1 3 280.372 -0.903 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000594880427 355268102 /nfs/dbraw/zinc/26/81/02/355268102.db2.gz MNRBRGSKCFSAES-FIQHERPVSA-N 1 3 280.372 -0.868 20 0 CBADHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594880562 355268244 /nfs/dbraw/zinc/26/82/44/355268244.db2.gz UVVOHJPEBMCGKB-GMTAPVOTSA-N 1 3 268.361 -0.870 20 0 CBADHO COC(=O)CCN1CC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000595891587 355314343 /nfs/dbraw/zinc/31/43/43/355314343.db2.gz ICIOVEKZGYXYKR-LBPRGKRZSA-N 1 3 283.372 -0.179 20 0 CBADHO Cn1cncc1CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903264 355316779 /nfs/dbraw/zinc/31/67/79/355316779.db2.gz QDPKCVNQFHRFQT-OLZOCXBDSA-N 1 3 277.372 -0.404 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)C1 ZINC000595944525 355324315 /nfs/dbraw/zinc/32/43/15/355324315.db2.gz MDEGUYFSPSDXFE-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)C1 ZINC000595944525 355324317 /nfs/dbraw/zinc/32/43/17/355324317.db2.gz MDEGUYFSPSDXFE-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266667 355276209 /nfs/dbraw/zinc/27/62/09/355276209.db2.gz AZIDNSLNVKFLBQ-QJPTWQEYSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000595268497 355277117 /nfs/dbraw/zinc/27/71/17/355277117.db2.gz VMJCKACJRIHOJN-USZNOCQGSA-N 1 3 295.387 -0.933 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270838 355277179 /nfs/dbraw/zinc/27/71/79/355277179.db2.gz MMYZJOGZIZYCSC-GHMZBOCLSA-N 1 3 295.387 -0.789 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267900 355277184 /nfs/dbraw/zinc/27/71/84/355277184.db2.gz PCUCCILNFKMYLG-IJLUTSLNSA-N 1 3 295.387 -0.918 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000600708866 355562310 /nfs/dbraw/zinc/56/23/10/355562310.db2.gz HUCRLVLQZIDNFJ-MNOVXSKESA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000600708866 355562314 /nfs/dbraw/zinc/56/23/14/355562314.db2.gz HUCRLVLQZIDNFJ-MNOVXSKESA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327533 355586691 /nfs/dbraw/zinc/58/66/91/355586691.db2.gz WDQMJJIWOQIYFJ-GHMZBOCLSA-N 1 3 271.361 -0.466 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327533 355586694 /nfs/dbraw/zinc/58/66/94/355586694.db2.gz WDQMJJIWOQIYFJ-GHMZBOCLSA-N 1 3 271.361 -0.466 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327533 355586698 /nfs/dbraw/zinc/58/66/98/355586698.db2.gz WDQMJJIWOQIYFJ-GHMZBOCLSA-N 1 3 271.361 -0.466 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](N)C[C@@H]1C ZINC000601330563 355587636 /nfs/dbraw/zinc/58/76/36/355587636.db2.gz UVSHUIHJFPSLSD-VHSXEESVSA-N 1 3 257.334 -0.571 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](N)C[C@@H]1C ZINC000601330563 355587640 /nfs/dbraw/zinc/58/76/40/355587640.db2.gz UVSHUIHJFPSLSD-VHSXEESVSA-N 1 3 257.334 -0.571 20 0 CBADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000602522675 355656402 /nfs/dbraw/zinc/65/64/02/355656402.db2.gz FVDJWXVTPYNERD-SDDRHHMPSA-N 1 3 282.388 -0.480 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528990 355658166 /nfs/dbraw/zinc/65/81/66/355658166.db2.gz DJVUCSGHZNRJRX-UWVGGRQHSA-N 1 3 269.345 -0.332 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000602531999 355658168 /nfs/dbraw/zinc/65/81/68/355658168.db2.gz ZALMBINLGHESOC-GHMZBOCLSA-N 1 3 280.372 -0.901 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000602532000 355658273 /nfs/dbraw/zinc/65/82/73/355658273.db2.gz ZALMBINLGHESOC-MNOVXSKESA-N 1 3 280.372 -0.901 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)CCSC ZINC000602547594 355659747 /nfs/dbraw/zinc/65/97/47/355659747.db2.gz HVCOQFNXNKIPDD-SNVBAGLBSA-N 1 3 263.407 -0.239 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973999 355623757 /nfs/dbraw/zinc/62/37/57/355623757.db2.gz KOVZWWCZLPNZFN-BREBYQMCSA-N 1 3 269.345 -0.475 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601977745 355623970 /nfs/dbraw/zinc/62/39/70/355623970.db2.gz WDSWWOKWCQKEJU-LEWSCRJBSA-N 1 3 283.372 -0.275 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000612544390 355838918 /nfs/dbraw/zinc/83/89/18/355838918.db2.gz BXROSQDPTXBMDJ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612883868 355855055 /nfs/dbraw/zinc/85/50/55/355855055.db2.gz UQGHDXMUKRUEBC-DGCLKSJQSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]1 ZINC000370093028 291081609 /nfs/dbraw/zinc/08/16/09/291081609.db2.gz HOLUFFMEUJQSGB-IUCAKERBSA-N 1 3 263.345 -0.074 20 0 CBADHO C[C@H](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000617752079 356154746 /nfs/dbraw/zinc/15/47/46/356154746.db2.gz JBCVQJAFNYEPTB-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C(=O)NCCN(C)CCC[NH+](C)C)S(C)(=O)=O ZINC000617766994 356156815 /nfs/dbraw/zinc/15/68/15/356156815.db2.gz BSJGMYXPVANFAC-LLVKDONJSA-N 1 3 293.433 -0.581 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CC(=O)N1 ZINC000617503353 356139483 /nfs/dbraw/zinc/13/94/83/356139483.db2.gz FVWWNPOCQKVJET-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CC(=O)N1 ZINC000617503353 356139488 /nfs/dbraw/zinc/13/94/88/356139488.db2.gz FVWWNPOCQKVJET-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617504836 356139628 /nfs/dbraw/zinc/13/96/28/356139628.db2.gz MIYGBKGWSYDKLB-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617504836 356139630 /nfs/dbraw/zinc/13/96/30/356139630.db2.gz MIYGBKGWSYDKLB-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)nn1 ZINC000617508165 356140401 /nfs/dbraw/zinc/14/04/01/356140401.db2.gz VUAYCKLLOHIZEQ-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)nn1 ZINC000617508165 356140403 /nfs/dbraw/zinc/14/04/03/356140403.db2.gz VUAYCKLLOHIZEQ-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000617508218 356140552 /nfs/dbraw/zinc/14/05/52/356140552.db2.gz YLOISJIJFUFPLW-RWMBFGLXSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000617508218 356140555 /nfs/dbraw/zinc/14/05/55/356140555.db2.gz YLOISJIJFUFPLW-RWMBFGLXSA-N 1 3 298.431 -0.114 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CNC1 ZINC000621698849 356281357 /nfs/dbraw/zinc/28/13/57/356281357.db2.gz GYXFWYKHFWIBOG-GXFFZTMASA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@H]2C1 ZINC000418677623 283148292 /nfs/dbraw/zinc/14/82/92/283148292.db2.gz UUDOSSXXRBETFT-IEECTRCBSA-N 1 3 264.373 -0.060 20 0 CBADHO CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000621624745 356278329 /nfs/dbraw/zinc/27/83/29/356278329.db2.gz WASYUAJZYYOIEN-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621846004 356290291 /nfs/dbraw/zinc/29/02/91/356290291.db2.gz SWAHGPVPLZEWFQ-IUODEOHRSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH+](C)[C@H](CNc1nc(N)nc(N)n1)c1ccccc1 ZINC000623793823 356375816 /nfs/dbraw/zinc/37/58/16/356375816.db2.gz VLMLVJWUQDQPJC-SNVBAGLBSA-N 1 3 273.344 -0.167 20 0 CBADHO CC(C)C[NH+]1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623800290 356376593 /nfs/dbraw/zinc/37/65/93/356376593.db2.gz CNKLFXPXHBYBLE-UHFFFAOYSA-N 1 3 251.338 -0.525 20 0 CBADHO C[C@H](Nc1nc(N)nc(N)n1)C1CC[NH+](C)CC1 ZINC000623969907 356385482 /nfs/dbraw/zinc/38/54/82/356385482.db2.gz YHQSEUVPHPNFSK-ZETCQYMHSA-N 1 3 251.338 -0.739 20 0 CBADHO C[N@@H+]1CCCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624536773 356425958 /nfs/dbraw/zinc/42/59/58/356425958.db2.gz BWDUBWVZOHMNDB-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO C[N@H+]1CCCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624536773 356425963 /nfs/dbraw/zinc/42/59/63/356425963.db2.gz BWDUBWVZOHMNDB-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO CN(CCNC(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000626976122 356561645 /nfs/dbraw/zinc/56/16/45/356561645.db2.gz PVJGJPQQXQOWPF-UHFFFAOYSA-N 1 3 270.377 -0.112 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627036084 356569031 /nfs/dbraw/zinc/56/90/31/356569031.db2.gz RGNDKKQGXNMGTC-JTQLQIEISA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000626986166 356563316 /nfs/dbraw/zinc/56/33/16/356563316.db2.gz BGLKDEYKJKMJDT-CHWSQXEVSA-N 1 3 283.420 -0.469 20 0 CBADHO N[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[C@H]1F ZINC000627148113 356588759 /nfs/dbraw/zinc/58/87/59/356588759.db2.gz XVSPVRJFCHDSPW-NXEZZACHSA-N 1 3 274.340 -0.425 20 0 CBADHO C[C@@H]1NCCN(C(=O)NCC2([NH3+])CCOCC2)[C@H]1C ZINC000627147504 356589044 /nfs/dbraw/zinc/58/90/44/356589044.db2.gz JUBCMLYNQOQPHQ-QWRGUYRKSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1CNCCO1)C2 ZINC000627103518 356583790 /nfs/dbraw/zinc/58/37/90/356583790.db2.gz LCLAVLMGAVUJMF-FPMFFAJLSA-N 1 3 282.388 -0.384 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000627174462 356594612 /nfs/dbraw/zinc/59/46/12/356594612.db2.gz OQQCZNXWCJAOML-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCO1 ZINC000627225705 356609289 /nfs/dbraw/zinc/60/92/89/356609289.db2.gz AYULDCRHBKZQEE-SDDRHHMPSA-N 1 3 270.377 -0.162 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238809 356609972 /nfs/dbraw/zinc/60/99/72/356609972.db2.gz OPMGMUJQKZFMGC-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@](C)(O)CN(C)C ZINC000627241449 356610311 /nfs/dbraw/zinc/61/03/11/356610311.db2.gz GWQVARYVMDSLNW-HOSYDEDBSA-N 1 3 258.366 -0.651 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000627245103 356611356 /nfs/dbraw/zinc/61/13/56/356611356.db2.gz LEUDEJWCVZWURB-HBNTYKKESA-N 1 3 255.366 -0.979 20 0 CBADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1CC[NH2+]C1 ZINC000627251644 356613840 /nfs/dbraw/zinc/61/38/40/356613840.db2.gz UPBVVNSRENSTFS-VXGBXAGGSA-N 1 3 270.377 -0.506 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627204245 356604493 /nfs/dbraw/zinc/60/44/93/356604493.db2.gz CFJNOVKVVVXLFM-RYUDHWBXSA-N 1 3 272.393 -0.260 20 0 CBADHO CN1CC=C(CNC(=O)NCCOCCC[NH3+])CC1 ZINC000627215668 356606888 /nfs/dbraw/zinc/60/68/88/356606888.db2.gz ICNQQQFCYDGPCY-UHFFFAOYSA-N 1 3 270.377 -0.087 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000627349571 356630461 /nfs/dbraw/zinc/63/04/61/356630461.db2.gz SCPYJLAAXYTQPN-CMPLNLGQSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627358354 356631636 /nfs/dbraw/zinc/63/16/36/356631636.db2.gz GRALAZAWPNNAKZ-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000627357253 356631755 /nfs/dbraw/zinc/63/17/55/356631755.db2.gz BGIXYSVYUKQRFU-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C1CC1 ZINC000627372908 356634765 /nfs/dbraw/zinc/63/47/65/356634765.db2.gz ZUZXZMBYYKIXIR-WOPDTQHZSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000627372085 356635028 /nfs/dbraw/zinc/63/50/28/356635028.db2.gz BTIOMUWWSRAWTE-VHSXEESVSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[NH2+]1 ZINC000627304761 356622796 /nfs/dbraw/zinc/62/27/96/356622796.db2.gz DZEJIAVPZJILGW-LPWJVIDDSA-N 1 3 296.415 -0.158 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000627308366 356624144 /nfs/dbraw/zinc/62/41/44/356624144.db2.gz NYRKLGJCFCQXOE-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000627308366 356624149 /nfs/dbraw/zinc/62/41/49/356624149.db2.gz NYRKLGJCFCQXOE-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCCN(C)C2CC2)C[NH2+]1 ZINC000627319018 356625678 /nfs/dbraw/zinc/62/56/78/356625678.db2.gz HRWAKTDDCKVMIN-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)C[NH2+]1 ZINC000627341960 356629204 /nfs/dbraw/zinc/62/92/04/356629204.db2.gz SJBMKIVSHVMNNS-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)C[NH2+]1 ZINC000627341961 356629214 /nfs/dbraw/zinc/62/92/14/356629214.db2.gz SJBMKIVSHVMNNS-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425233 356644378 /nfs/dbraw/zinc/64/43/78/356644378.db2.gz IXKCTUYCXQEEAO-JHJVBQTASA-N 1 3 294.399 -0.402 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000627457541 356649191 /nfs/dbraw/zinc/64/91/91/356649191.db2.gz ZLKSRDAYRYYOEU-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000627460904 356649774 /nfs/dbraw/zinc/64/97/74/356649774.db2.gz YYYDQPBQZWZJNZ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627380277 356636394 /nfs/dbraw/zinc/63/63/94/356636394.db2.gz MKDGBNHDCLWVHQ-VXGBXAGGSA-N 1 3 280.372 -0.935 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627389982 356637110 /nfs/dbraw/zinc/63/71/10/356637110.db2.gz XQDFVCJRMIGOAA-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000627506348 356660892 /nfs/dbraw/zinc/66/08/92/356660892.db2.gz LVAULISYTBEONA-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[NH2+]1 ZINC000627477418 356653945 /nfs/dbraw/zinc/65/39/45/356653945.db2.gz VMSNZTWVRHHRPZ-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000627502322 356658983 /nfs/dbraw/zinc/65/89/83/356658983.db2.gz RXDLVGDSVNYBSD-ZDEQEGDKSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000627502954 356659192 /nfs/dbraw/zinc/65/91/92/356659192.db2.gz UJRNJJNUSPKACK-YVECIDJPSA-N 1 3 296.415 -0.348 20 0 CBADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CN(C)CCO1 ZINC000629570108 356780959 /nfs/dbraw/zinc/78/09/59/356780959.db2.gz IASHRCNDFGAHPO-MELADBBJSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)[C@H]1CN(C)CCO1 ZINC000629570108 356780961 /nfs/dbraw/zinc/78/09/61/356780961.db2.gz IASHRCNDFGAHPO-MELADBBJSA-N 1 3 271.405 -0.248 20 0 CBADHO CC(C)[C@@](C)(CN)[NH2+]CCS(=O)(=O)N(C)C ZINC000629515270 356776143 /nfs/dbraw/zinc/77/61/43/356776143.db2.gz RKIBNCRQGIQKRV-SNVBAGLBSA-N 1 3 251.396 -0.159 20 0 CBADHO C[C@@H]1C[C@H](CN2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666879 356788783 /nfs/dbraw/zinc/78/87/83/356788783.db2.gz RXIYXKPZASEQBW-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](CN2CCO[C@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666876 356789163 /nfs/dbraw/zinc/78/91/63/356789163.db2.gz RXIYXKPZASEQBW-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000629795960 356794582 /nfs/dbraw/zinc/79/45/82/356794582.db2.gz NJLHONWSIUKCMG-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000629804072 356796383 /nfs/dbraw/zinc/79/63/83/356796383.db2.gz SBPVFKHJGCABFV-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(CC)CCN ZINC000629801123 356796416 /nfs/dbraw/zinc/79/64/16/356796416.db2.gz BVDAYEPAHYSWHQ-UHFFFAOYSA-N 1 3 286.420 -0.016 20 0 CBADHO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CN2CCCC2)O1 ZINC000629575230 356781931 /nfs/dbraw/zinc/78/19/31/356781931.db2.gz NYSHGOUDFKOHRE-MJBXVCDLSA-N 1 3 299.415 -0.332 20 0 CBADHO OC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000629598101 356785172 /nfs/dbraw/zinc/78/51/72/356785172.db2.gz WBMZACILBIDCTC-MJBXVCDLSA-N 1 3 272.389 -0.180 20 0 CBADHO CC[C@@H](C(=O)NCCCN1CC[NH2+]CC1)N(C)C ZINC000629610971 356787132 /nfs/dbraw/zinc/78/71/32/356787132.db2.gz KNWXQTGUKRFPBO-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CO[C@H]1CN(S(=O)(=O)CCCN(C)C)[C@@](C)(C[NH3+])C1 ZINC000630369256 356839568 /nfs/dbraw/zinc/83/95/68/356839568.db2.gz WEWMQBAVIBLYEB-VXGBXAGGSA-N 1 3 293.433 -0.294 20 0 CBADHO c1c([C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CNCCO1 ZINC000630616686 356856568 /nfs/dbraw/zinc/85/65/68/356856568.db2.gz MRFIXAIRZBWAGH-QWRGUYRKSA-N 1 3 251.334 -0.267 20 0 CBADHO O=S(=O)(CCCN1CCCC1)N[C@H]1CC[NH2+]C1 ZINC000631901507 356918221 /nfs/dbraw/zinc/91/82/21/356918221.db2.gz FWQAHTMRJAPAEA-NSHDSACASA-N 1 3 261.391 -0.246 20 0 CBADHO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631931582 356925435 /nfs/dbraw/zinc/92/54/35/356925435.db2.gz LIEUWGRRJNESPZ-QWRGUYRKSA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CCCN(C)C ZINC000631934958 356927008 /nfs/dbraw/zinc/92/70/08/356927008.db2.gz OGQPVEKKTYMKCE-GHMZBOCLSA-N 1 3 263.407 -0.145 20 0 CBADHO C[NH2+][C@@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631933753 356927423 /nfs/dbraw/zinc/92/74/23/356927423.db2.gz JCSNMVPTLRNSAP-LLVKDONJSA-N 1 3 263.407 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631934366 356927509 /nfs/dbraw/zinc/92/75/09/356927509.db2.gz YOGLOMKEAAEKQK-PHIMTYICSA-N 1 3 261.391 -0.581 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631942022 356929744 /nfs/dbraw/zinc/92/97/44/356929744.db2.gz NLSDCJJGCLZQDU-NWDGAFQWSA-N 1 3 275.418 -0.048 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631946973 356931433 /nfs/dbraw/zinc/93/14/33/356931433.db2.gz PRYLMOGLUIPSMZ-UWVGGRQHSA-N 1 3 251.396 -0.017 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCC[NH+](C)C ZINC000631638713 356899070 /nfs/dbraw/zinc/89/90/70/356899070.db2.gz FZUCIWPXIYVOND-UHFFFAOYSA-N 1 3 251.396 -0.191 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCOCC[NH+](C)C ZINC000632201935 356959463 /nfs/dbraw/zinc/95/94/63/356959463.db2.gz XYJKXFHRJBPXJJ-UHFFFAOYSA-N 1 3 281.422 -0.564 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1C ZINC000633095339 357044645 /nfs/dbraw/zinc/04/46/45/357044645.db2.gz UVGCQVCAZJKCBK-RVMXOQNASA-N 1 3 294.399 -0.500 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633102482 357046106 /nfs/dbraw/zinc/04/61/06/357046106.db2.gz UHFBDPFVOOAXNP-CHWSQXEVSA-N 1 3 298.431 -0.162 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106065 357047182 /nfs/dbraw/zinc/04/71/82/357047182.db2.gz GPEVPHWCTRGJKZ-FRRDWIJNSA-N 1 3 294.399 -0.498 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000633481134 357069034 /nfs/dbraw/zinc/06/90/34/357069034.db2.gz KCPSFRIDNNSQKO-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000633481134 357069036 /nfs/dbraw/zinc/06/90/36/357069036.db2.gz KCPSFRIDNNSQKO-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](CN)C1 ZINC000634272321 357113914 /nfs/dbraw/zinc/11/39/14/357113914.db2.gz ZWBFMWPLPQGJHQ-VXGBXAGGSA-N 1 3 269.393 -0.587 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000634769193 357134372 /nfs/dbraw/zinc/13/43/72/357134372.db2.gz PQRLPILEDFATSF-XUJVJEKNSA-N 1 3 294.399 -0.416 20 0 CBADHO [NH3+][C@H]1CCC[C@@H]1NCCCN1CCCS1(=O)=O ZINC000635005218 357142435 /nfs/dbraw/zinc/14/24/35/357142435.db2.gz SNAMRVGHYBOOLI-QWRGUYRKSA-N 1 3 261.391 -0.119 20 0 CBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735714 357130577 /nfs/dbraw/zinc/13/05/77/357130577.db2.gz OTXSFWRSHKITPS-UPJWGTAASA-N 1 3 267.373 -0.238 20 0 CBADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735714 357130581 /nfs/dbraw/zinc/13/05/81/357130581.db2.gz OTXSFWRSHKITPS-UPJWGTAASA-N 1 3 267.373 -0.238 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000636047480 357255500 /nfs/dbraw/zinc/25/55/00/357255500.db2.gz KCPSFRIDNNSQKO-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000636047480 357255501 /nfs/dbraw/zinc/25/55/01/357255501.db2.gz KCPSFRIDNNSQKO-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C)CCN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000636120160 357264730 /nfs/dbraw/zinc/26/47/30/357264730.db2.gz NJDONTLHFDUGKP-ZDUSSCGKSA-N 1 3 296.415 -0.439 20 0 CBADHO CN(C)CCN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000636120160 357264735 /nfs/dbraw/zinc/26/47/35/357264735.db2.gz NJDONTLHFDUGKP-ZDUSSCGKSA-N 1 3 296.415 -0.439 20 0 CBADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000637832533 357372408 /nfs/dbraw/zinc/37/24/08/357372408.db2.gz IJIZBYMEFMIMFD-AVGNSLFASA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907204 357311480 /nfs/dbraw/zinc/31/14/80/357311480.db2.gz LUXPAJSWVRIAQY-SCRDCRAPSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000636907204 357311483 /nfs/dbraw/zinc/31/14/83/357311483.db2.gz LUXPAJSWVRIAQY-SCRDCRAPSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907205 357311734 /nfs/dbraw/zinc/31/17/34/357311734.db2.gz LUXPAJSWVRIAQY-SGMGOOAPSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907205 357311736 /nfs/dbraw/zinc/31/17/36/357311736.db2.gz LUXPAJSWVRIAQY-SGMGOOAPSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923883 357312720 /nfs/dbraw/zinc/31/27/20/357312720.db2.gz ZUEWBNAACWXYMG-IACUBPJLSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923883 357312722 /nfs/dbraw/zinc/31/27/22/357312722.db2.gz ZUEWBNAACWXYMG-IACUBPJLSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923881 357312745 /nfs/dbraw/zinc/31/27/45/357312745.db2.gz ZUEWBNAACWXYMG-FPMFFAJLSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923881 357312748 /nfs/dbraw/zinc/31/27/48/357312748.db2.gz ZUEWBNAACWXYMG-FPMFFAJLSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@H]1CCCN(C(=O)CN2CCNCC2)[C@@H]1C[NH3+] ZINC000637848545 357376064 /nfs/dbraw/zinc/37/60/64/357376064.db2.gz UBRTZIJTXCFRAV-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@@H](NC(=O)CN1CCNCC1)C1CCCCC1 ZINC000637845500 357376298 /nfs/dbraw/zinc/37/62/98/357376298.db2.gz PUAZYMWKFGBEBW-CYBMUJFWSA-N 1 3 268.405 -0.085 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCNCC1 ZINC000637852731 357377017 /nfs/dbraw/zinc/37/70/17/357377017.db2.gz HSHSRRBONGDUKD-RYUDHWBXSA-N 1 3 254.378 -0.475 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637804563 357366506 /nfs/dbraw/zinc/36/65/06/357366506.db2.gz DLOZTXWISGJWHG-ZDUSSCGKSA-N 1 3 287.404 -0.161 20 0 CBADHO [NH3+]C1(CNC(=O)CN2CCNCC2)CCCCC1 ZINC000637800696 357366788 /nfs/dbraw/zinc/36/67/88/357366788.db2.gz GOFCMQJHGQTXMJ-UHFFFAOYSA-N 1 3 254.378 -0.331 20 0 CBADHO COC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCCCN1 ZINC000637809801 357367742 /nfs/dbraw/zinc/36/77/42/357367742.db2.gz AQMMZGFVMXQWRK-CQSZACIVSA-N 1 3 284.404 -0.834 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000637809228 357367981 /nfs/dbraw/zinc/36/79/81/357367981.db2.gz NJZFPHWJKDBXNH-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)CC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000637811193 357368472 /nfs/dbraw/zinc/36/84/72/357368472.db2.gz NQENGYWSOQTFTB-GFCCVEGCSA-N 1 3 256.394 -0.229 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN1CCNCC1 ZINC000638231520 357440518 /nfs/dbraw/zinc/44/05/18/357440518.db2.gz QCDCWJKGVFRMGL-NQBHXWOUSA-N 1 3 254.378 -0.606 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)CN2CCNCC2)CC1 ZINC000638238136 357441145 /nfs/dbraw/zinc/44/11/45/357441145.db2.gz SJXFKOHRLSPEPY-JOCQHMNTSA-N 1 3 268.405 -0.227 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243643 357441882 /nfs/dbraw/zinc/44/18/82/357441882.db2.gz CDNAKTGIVIOKQY-NSHDSACASA-N 1 3 252.362 -0.850 20 0 CBADHO COCCN(C)CCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638071130 357410125 /nfs/dbraw/zinc/41/01/25/357410125.db2.gz FOPSMVAZUZMQDN-OCCSQVGLSA-N 1 3 287.404 -0.162 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638071128 357410172 /nfs/dbraw/zinc/41/01/72/357410172.db2.gz FOPSMVAZUZMQDN-GXTWGEPZSA-N 1 3 287.404 -0.162 20 0 CBADHO CN(C)[C@@]1(CNC(=O)CN2CC[NH2+]CC2)CCSC1 ZINC000638070287 357410193 /nfs/dbraw/zinc/41/01/93/357410193.db2.gz XWAYDCVRHMJFQW-CYBMUJFWSA-N 1 3 286.445 -0.555 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC000638243034 357442557 /nfs/dbraw/zinc/44/25/57/357442557.db2.gz JQKLFJTYOBKZIN-PREPNJAASA-N 1 3 251.330 -0.816 20 0 CBADHO CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000638102198 357418546 /nfs/dbraw/zinc/41/85/46/357418546.db2.gz TZPNSWFPVIXQSR-SDDRHHMPSA-N 1 3 253.346 -0.202 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102066 357418583 /nfs/dbraw/zinc/41/85/83/357418583.db2.gz XJVZOWRBISDELL-HIFRSBDPSA-N 1 3 299.415 -0.031 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134734 357423707 /nfs/dbraw/zinc/42/37/07/357423707.db2.gz OIFVKIGMXNDBEA-OHBODLIOSA-N 1 3 253.346 -0.299 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246689 357442924 /nfs/dbraw/zinc/44/29/24/357442924.db2.gz DGCNNSJWKNHVRM-GMOBBJLQSA-N 1 3 259.325 -0.430 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCN(CC)CC1 ZINC000638138197 357425120 /nfs/dbraw/zinc/42/51/20/357425120.db2.gz XPOIYLRIZADQAY-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)c1cnn(CCN(C)C)c1 ZINC000638143224 357426358 /nfs/dbraw/zinc/42/63/58/357426358.db2.gz GWWWZILBAKRBNH-JTQLQIEISA-N 1 3 253.350 -0.231 20 0 CBADHO CN(C(=O)CN1CCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638144989 357426369 /nfs/dbraw/zinc/42/63/69/357426369.db2.gz INENNVLCQQOAPP-FUNVUKJBSA-N 1 3 266.389 -0.367 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@H]([NH3+])C2CC2)cn1 ZINC000638153383 357426837 /nfs/dbraw/zinc/42/68/37/357426837.db2.gz IODGSAUUYFFSQO-LBPRGKRZSA-N 1 3 265.361 -0.088 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCCCN1 ZINC000638164022 357429017 /nfs/dbraw/zinc/42/90/17/357429017.db2.gz FYHKUOBALNBVQO-AAEUAGOBSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(CN1CC[NH2+]CC1)NCc1ccc2c(c1)CNC2 ZINC000638195249 357433166 /nfs/dbraw/zinc/43/31/66/357433166.db2.gz VBYJZLFMCIVYCB-UHFFFAOYSA-N 1 3 274.368 -0.189 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(CCN(C)C)c2)CCO1 ZINC000637865463 357379432 /nfs/dbraw/zinc/37/94/32/357379432.db2.gz FNTXYYGJOBIDRO-YPMHNXCESA-N 1 3 295.387 -0.367 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](CN)C1 ZINC000637866346 357379546 /nfs/dbraw/zinc/37/95/46/357379546.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 1 3 254.378 -0.571 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](CN)C1 ZINC000637866346 357379547 /nfs/dbraw/zinc/37/95/47/357379547.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 1 3 254.378 -0.571 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@]1(COC)CCCCN1 ZINC000638575830 357496621 /nfs/dbraw/zinc/49/66/21/357496621.db2.gz SGGHKDPFKCSUHP-CYBMUJFWSA-N 1 3 273.377 -0.503 20 0 CBADHO CCN1CCN(CCC(=O)NCCOCC[NH2+]C)CC1 ZINC000638578572 357497203 /nfs/dbraw/zinc/49/72/03/357497203.db2.gz OTSMKZOZMWQACK-UHFFFAOYSA-N 1 3 286.420 -0.634 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@@]1(COC)CCCCN1 ZINC000638595140 357500370 /nfs/dbraw/zinc/50/03/70/357500370.db2.gz YASIRLCLLHPQOZ-AWEZNQCLSA-N 1 3 287.404 -0.161 20 0 CBADHO COCCOCCN(C)CCC(=O)N(C)C1CC([NH3+])C1 ZINC000638254495 357444579 /nfs/dbraw/zinc/44/45/79/357444579.db2.gz AULUEBNYNCUIPA-UHFFFAOYSA-N 1 3 287.404 -0.081 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248418 357444608 /nfs/dbraw/zinc/44/46/08/357444608.db2.gz SHMZKCXWUHJNGN-VXGBXAGGSA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cnn(CCN(C)C)c1 ZINC000638257794 357445400 /nfs/dbraw/zinc/44/54/00/357445400.db2.gz WWLBXNSYLILEPV-ZJUUUORDSA-N 1 3 253.350 -0.090 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCNC(C)(C)C2)C1 ZINC000638270292 357446788 /nfs/dbraw/zinc/44/67/88/357446788.db2.gz GIPHYZPSMONCKG-ZWNOBZJWSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]C[C@H](NC(=O)CN1CCNCC1)C1CCCC1 ZINC000638326627 357458487 /nfs/dbraw/zinc/45/84/87/357458487.db2.gz NJCXPQLLVZFYHD-LBPRGKRZSA-N 1 3 254.378 -0.475 20 0 CBADHO COC[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCCCN1 ZINC000638341871 357460110 /nfs/dbraw/zinc/46/01/10/357460110.db2.gz CPEIWFBWOCURBN-OCCSQVGLSA-N 1 3 285.388 -0.279 20 0 CBADHO COC[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCCN1 ZINC000638341869 357460542 /nfs/dbraw/zinc/46/05/42/357460542.db2.gz CPEIWFBWOCURBN-JSGCOSHPSA-N 1 3 285.388 -0.279 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2CCNCC2)C1 ZINC000638394820 357466671 /nfs/dbraw/zinc/46/66/71/357466671.db2.gz JWAAOMABDYABRZ-TXEJJXNPSA-N 1 3 254.378 -0.652 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638408229 357470691 /nfs/dbraw/zinc/47/06/91/357470691.db2.gz FOOJKSAABBTQHV-NWDGAFQWSA-N 1 3 272.393 -0.898 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638432596 357475100 /nfs/dbraw/zinc/47/51/00/357475100.db2.gz YSLMVDRMZBCNKX-XNDJQWLSSA-N 1 3 259.325 -0.349 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)c1cnn(CCN(C)C)c1 ZINC000638433196 357475751 /nfs/dbraw/zinc/47/57/51/357475751.db2.gz RUFDIMNPCFPSSZ-JTQLQIEISA-N 1 3 253.350 -0.218 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638438793 357476219 /nfs/dbraw/zinc/47/62/19/357476219.db2.gz CQKBQIXNDLHBGM-CQSZACIVSA-N 1 3 287.404 -0.161 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@]2(C)CC[NH2+]C2)cn1 ZINC000638441646 357477652 /nfs/dbraw/zinc/47/76/52/357477652.db2.gz YKNMBVMCZLYMSQ-CYBMUJFWSA-N 1 3 265.361 -0.074 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC[C@H]1C(C)C ZINC000638488331 357484061 /nfs/dbraw/zinc/48/40/61/357484061.db2.gz GGSLZFVTXSDZON-AAEUAGOBSA-N 1 3 284.404 -0.458 20 0 CBADHO [NH3+]C1(CNC(=O)[C@H]2CNCCC2(F)F)CCOCC1 ZINC000638540556 357493646 /nfs/dbraw/zinc/49/36/46/357493646.db2.gz PAYAJUXEGDKPFN-SECBINFHSA-N 1 3 277.315 -0.145 20 0 CBADHO CN(CCOCC[NH3+])C(=O)C[C@@H]1CSCCN1 ZINC000638674506 357519057 /nfs/dbraw/zinc/51/90/57/357519057.db2.gz LLRLYIMGPOVJBH-SNVBAGLBSA-N 1 3 261.391 -0.485 20 0 CBADHO CN(CCOCC[NH3+])C(=O)CNC[C@H]1CCCO1 ZINC000638680504 357520054 /nfs/dbraw/zinc/52/00/54/357520054.db2.gz UMKBNUXRDJHHFA-LLVKDONJSA-N 1 3 259.350 -0.811 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000638728444 357525965 /nfs/dbraw/zinc/52/59/65/357525965.db2.gz RRFNEXPLKSGVJO-DMDPSCGWSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H](N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780560 357528251 /nfs/dbraw/zinc/52/82/51/357528251.db2.gz SJRHITMSLNROMZ-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCNCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780969 357528475 /nfs/dbraw/zinc/52/84/75/357528475.db2.gz YBGHHEBFHFZYDA-CQSZACIVSA-N 1 3 299.415 -0.161 20 0 CBADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CN2CCC1CC2 ZINC000638853495 357539002 /nfs/dbraw/zinc/53/90/02/357539002.db2.gz HPGCYWFKLNODHV-CHWSQXEVSA-N 1 3 294.399 -0.593 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638925435 357544652 /nfs/dbraw/zinc/54/46/52/357544652.db2.gz MKNSFJCYZPIGIG-OKILXGFUSA-N 1 3 280.416 -0.023 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000638934289 357546129 /nfs/dbraw/zinc/54/61/29/357546129.db2.gz GMBRUKDSDXTGGC-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)CC1 ZINC000638943762 357546557 /nfs/dbraw/zinc/54/65/57/357546557.db2.gz VGLUBDFOSBTWSA-IJLUTSLNSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]CC1(NC(=O)CN2CCNCC2)CCCCC1 ZINC000638998857 357549817 /nfs/dbraw/zinc/54/98/17/357549817.db2.gz HPYIWYFPLSOOGQ-UHFFFAOYSA-N 1 3 254.378 -0.331 20 0 CBADHO CN1CC[C@@](O)(C[NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000639049606 357556333 /nfs/dbraw/zinc/55/63/33/357556333.db2.gz VXEMXZCKLNDKKO-OAHLLOKOSA-N 1 3 285.432 -0.122 20 0 CBADHO C[NH+]1CCC2(CCN(CCN3C(=O)CNC3=O)C2)CC1 ZINC000639757965 357595277 /nfs/dbraw/zinc/59/52/77/357595277.db2.gz NQBFMBWQJGNYRW-UHFFFAOYSA-N 1 3 280.372 -0.044 20 0 CBADHO Cc1nn(CC(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)o1 ZINC000639835844 357602310 /nfs/dbraw/zinc/60/23/10/357602310.db2.gz HGUVJSPMALVKCD-UHFFFAOYSA-N 1 3 299.375 -0.903 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](CN)C1 ZINC000641194281 357678289 /nfs/dbraw/zinc/67/82/89/357678289.db2.gz NSXYFCNMJCIKRT-IJLUTSLNSA-N 1 3 269.393 -0.459 20 0 CBADHO CC[N@H+](C)C[C@@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222713 357682433 /nfs/dbraw/zinc/68/24/33/357682433.db2.gz NOGPZWFELYPRKE-GFCCVEGCSA-N 1 3 255.366 -0.305 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222713 357682437 /nfs/dbraw/zinc/68/24/37/357682437.db2.gz NOGPZWFELYPRKE-GFCCVEGCSA-N 1 3 255.366 -0.305 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000574042976 334987370 /nfs/dbraw/zinc/98/73/70/334987370.db2.gz WBOHHSZOVVIXIB-FOGDFJRCSA-N 1 3 270.377 -0.671 20 0 CBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CNC1 ZINC000642298198 357752183 /nfs/dbraw/zinc/75/21/83/357752183.db2.gz LQLUPOHURVFGPL-UHFFFAOYSA-N 1 3 268.361 -0.933 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000642439663 357755166 /nfs/dbraw/zinc/75/51/66/357755166.db2.gz NCUWNCSOBUAAQO-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000642644468 357758123 /nfs/dbraw/zinc/75/81/23/357758123.db2.gz MRULRRHKUMCCRA-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CCC1 ZINC000642698898 357759038 /nfs/dbraw/zinc/75/90/38/357759038.db2.gz ZZVKWIWIHVXAHC-UHFFFAOYSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000642733285 357760598 /nfs/dbraw/zinc/76/05/98/357760598.db2.gz CJDUIBKVRISUSF-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785775 357761817 /nfs/dbraw/zinc/76/18/17/357761817.db2.gz JGRVXPLJQDUFBH-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642786035 357761839 /nfs/dbraw/zinc/76/18/39/357761839.db2.gz XWVFNKUCGIZXOC-STQMWFEESA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785712 357762197 /nfs/dbraw/zinc/76/21/97/357762197.db2.gz DUZUKLQXRWKTSB-QWHCGFSZSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)(CNC(=O)C(=O)NC1CNC1)C[NH+]1CCCC1 ZINC000642787667 357762484 /nfs/dbraw/zinc/76/24/84/357762484.db2.gz XEBJPABQYKFNCF-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642801230 357763553 /nfs/dbraw/zinc/76/35/53/357763553.db2.gz JSJLWUZBBIMBIO-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000642909825 357767531 /nfs/dbraw/zinc/76/75/31/357767531.db2.gz VAKOPOAKDWGCJP-NSHDSACASA-N 1 3 296.371 -0.367 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919656 357770555 /nfs/dbraw/zinc/77/05/55/357770555.db2.gz CTLQJHJSBGIMLJ-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000643471885 357784152 /nfs/dbraw/zinc/78/41/52/357784152.db2.gz NWWQRSBXMHBTND-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000643504192 357785597 /nfs/dbraw/zinc/78/55/97/357785597.db2.gz UAUPDAUCLBJVSG-STQMWFEESA-N 1 3 294.399 -0.367 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643505817 357787056 /nfs/dbraw/zinc/78/70/56/357787056.db2.gz ZQOZESYDGBUYFF-XQQFMLRXSA-N 1 3 294.399 -0.783 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252866189 283349912 /nfs/dbraw/zinc/34/99/12/283349912.db2.gz QDKZPOGPGPLFGO-DCAQKATOSA-N 1 3 268.361 -0.109 20 0 CBADHO CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000224293520 283360073 /nfs/dbraw/zinc/36/00/73/283360073.db2.gz SARHKQMKJTWZIQ-ZJUUUORDSA-N 1 3 256.350 -0.109 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000373891192 291193551 /nfs/dbraw/zinc/19/35/51/291193551.db2.gz HKBSCXCMUUSZAC-PSASIEDQSA-N 1 3 263.345 -0.074 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000342005972 216185855 /nfs/dbraw/zinc/18/58/55/216185855.db2.gz XCODGCFXKZCFLI-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519635689 283586587 /nfs/dbraw/zinc/58/65/87/283586587.db2.gz AIUIEOUJOPZCPJ-AGIUHOORSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@H](N)CCC(=O)OC ZINC000342646355 216452718 /nfs/dbraw/zinc/45/27/18/216452718.db2.gz GMZXPTJCRHFXRY-SNVBAGLBSA-N 1 3 259.350 -0.275 20 0 CBADHO CN(C)C/C=C/C(=O)N(C)CCNC(=O)/C=C/C[NH+](C)C ZINC000275822693 193139065 /nfs/dbraw/zinc/13/90/65/193139065.db2.gz FGYMPHDIMQWMPU-CDJQDVQCSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C/C=C/C(=O)NCCN(C)C(=O)/C=C/C[NH+](C)C ZINC000275822693 193139066 /nfs/dbraw/zinc/13/90/66/193139066.db2.gz FGYMPHDIMQWMPU-CDJQDVQCSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343130514 216668174 /nfs/dbraw/zinc/66/81/74/216668174.db2.gz PLLPQOBWAPIXFO-UONOGXRCSA-N 1 3 282.432 -0.062 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343130514 216668177 /nfs/dbraw/zinc/66/81/77/216668177.db2.gz PLLPQOBWAPIXFO-UONOGXRCSA-N 1 3 282.432 -0.062 20 0 CBADHO CO[C@H](CN)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353441987 294408109 /nfs/dbraw/zinc/40/81/09/294408109.db2.gz GBTNOXLAWNUNQE-DGCLKSJQSA-N 1 3 287.404 -0.489 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574325518 335010882 /nfs/dbraw/zinc/01/08/82/335010882.db2.gz DKFJJHVKKABHBB-SCRDCRAPSA-N 1 3 296.415 -0.410 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011694 /nfs/dbraw/zinc/01/16/94/335011694.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 1 3 285.432 -0.049 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011695 /nfs/dbraw/zinc/01/16/95/335011695.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 1 3 285.432 -0.049 20 0 CBADHO CO[C@H](CN)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353432988 220080443 /nfs/dbraw/zinc/08/04/43/220080443.db2.gz SRQAJFZNAHACQM-MWLCHTKSSA-N 1 3 261.391 -0.486 20 0 CBADHO CCN1CCN(CCC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000158227118 372811410 /nfs/dbraw/zinc/81/14/10/372811410.db2.gz FGAVBOQVJLKAIQ-CYBMUJFWSA-N 1 3 268.405 -0.036 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353446497 220089295 /nfs/dbraw/zinc/08/92/95/220089295.db2.gz JWPRCAGFIIARHT-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000353449619 220088044 /nfs/dbraw/zinc/08/80/44/220088044.db2.gz NVXPTIPMXBBLLD-OLZOCXBDSA-N 1 3 287.404 -0.081 20 0 CBADHO CO[C@H](CN)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000353464762 220099295 /nfs/dbraw/zinc/09/92/95/220099295.db2.gz YTSSCYSRSIJXKH-GFCCVEGCSA-N 1 3 272.393 -0.898 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217707744 372868588 /nfs/dbraw/zinc/86/85/88/372868588.db2.gz GKSVFZVTUAHXEK-IJLUTSLNSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332669236 373005028 /nfs/dbraw/zinc/00/50/28/373005028.db2.gz RKSHPLMQXZMRSH-VXGBXAGGSA-N 1 3 280.372 -0.757 20 0 CBADHO COC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343995326 373053926 /nfs/dbraw/zinc/05/39/26/373053926.db2.gz YPAAMQCFTRONAG-RRFJBIMHSA-N 1 3 285.432 -0.049 20 0 CBADHO CN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000333508489 205387041 /nfs/dbraw/zinc/38/70/41/205387041.db2.gz XFQQLTOJLXGDLE-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000333508489 205387044 /nfs/dbraw/zinc/38/70/44/205387044.db2.gz XFQQLTOJLXGDLE-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000351839694 373099434 /nfs/dbraw/zinc/09/94/34/373099434.db2.gz LOUAYYRQDPOZSN-RWMBFGLXSA-N 1 3 296.415 -0.408 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000353581234 220172594 /nfs/dbraw/zinc/17/25/94/220172594.db2.gz NJKDIMSOWOEYBI-GHMZBOCLSA-N 1 3 275.418 -0.096 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000353582757 220171456 /nfs/dbraw/zinc/17/14/56/220171456.db2.gz RUWGWXFYLUGVQH-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO CCC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600692 220184190 /nfs/dbraw/zinc/18/41/90/220184190.db2.gz XNXIUCFRTHEVBV-NWDGAFQWSA-N 1 3 284.404 -0.183 20 0 CBADHO CCC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600692 220184193 /nfs/dbraw/zinc/18/41/93/220184193.db2.gz XNXIUCFRTHEVBV-NWDGAFQWSA-N 1 3 284.404 -0.183 20 0 CBADHO COCCN(C)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000417086388 373625353 /nfs/dbraw/zinc/62/53/53/373625353.db2.gz CROWHBJSPIGTBQ-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417448051 373627803 /nfs/dbraw/zinc/62/78/03/373627803.db2.gz SRYCLNCTKPQHTF-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417448051 373627809 /nfs/dbraw/zinc/62/78/09/373627809.db2.gz SRYCLNCTKPQHTF-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417438627 373627896 /nfs/dbraw/zinc/62/78/96/373627896.db2.gz JXSRRDQQMYMZSC-NSHDSACASA-N 1 3 258.366 -0.399 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417096212 373627913 /nfs/dbraw/zinc/62/79/13/373627913.db2.gz VTKXABMMWKTQOD-GHMZBOCLSA-N 1 3 260.382 -0.010 20 0 CBADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)C1CC1 ZINC000418405946 373631694 /nfs/dbraw/zinc/63/16/94/373631694.db2.gz RTNDMBUQXPXNSB-OLZOCXBDSA-N 1 3 284.404 -0.130 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)NCCNc1ccncc1 ZINC000418561622 373633867 /nfs/dbraw/zinc/63/38/67/373633867.db2.gz QRCNUCCZYZNDIS-SNVBAGLBSA-N 1 3 251.334 -0.048 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032918 373634911 /nfs/dbraw/zinc/63/49/11/373634911.db2.gz XPXVZSCFEAXUMU-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419783819 373639909 /nfs/dbraw/zinc/63/99/09/373639909.db2.gz VQMLKNJBVDTBEX-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1C[C@@H](C)N(C(=O)COC2CNC2)C[C@@H]1C[NH3+] ZINC000424051309 373662542 /nfs/dbraw/zinc/66/25/42/373662542.db2.gz IZYBUFSOXLHLRG-MXWKQRLJSA-N 1 3 255.362 -0.193 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000487168355 373697082 /nfs/dbraw/zinc/69/70/82/373697082.db2.gz ZWBMIZHGCQGYDR-NTZNESFSSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000487168355 373697088 /nfs/dbraw/zinc/69/70/88/373697088.db2.gz ZWBMIZHGCQGYDR-NTZNESFSSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000493896405 373735758 /nfs/dbraw/zinc/73/57/58/373735758.db2.gz GAKHYHFUZAYAQE-QWRGUYRKSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H](C(=O)NCCCN1CCC(O)CC1)[C@H](C)[NH3+] ZINC000493896404 373735767 /nfs/dbraw/zinc/73/57/67/373735767.db2.gz GAKHYHFUZAYAQE-MNOVXSKESA-N 1 3 257.378 -0.067 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000514670824 373760510 /nfs/dbraw/zinc/76/05/10/373760510.db2.gz KTQKSHHUOJARLJ-QWHCGFSZSA-N 1 3 269.389 -0.053 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000520226204 373829453 /nfs/dbraw/zinc/82/94/53/373829453.db2.gz BGTPUSIIBVABSL-GFCCVEGCSA-N 1 3 280.372 -0.839 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000520228221 373829727 /nfs/dbraw/zinc/82/97/27/373829727.db2.gz AEUBHBZUDAJNCN-MXWKQRLJSA-N 1 3 255.387 -0.098 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000520231878 373830274 /nfs/dbraw/zinc/83/02/74/373830274.db2.gz GOHYXWMUZZGHHK-BBBLOLIVSA-N 1 3 257.334 -0.524 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000520226205 373830434 /nfs/dbraw/zinc/83/04/34/373830434.db2.gz BGTPUSIIBVABSL-LBPRGKRZSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H]1NCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000520232090 373830551 /nfs/dbraw/zinc/83/05/51/373830551.db2.gz RQNROKSAAMCOLK-DCAQKATOSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380722 373786914 /nfs/dbraw/zinc/78/69/14/373786914.db2.gz FOHUDEQIDIRALM-PWSUYJOCSA-N 1 3 292.387 -0.161 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000515812793 373795041 /nfs/dbraw/zinc/79/50/41/373795041.db2.gz BBIVQJKPJXWXDN-LLVKDONJSA-N 1 3 268.361 -0.985 20 0 CBADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000522000171 373855706 /nfs/dbraw/zinc/85/57/06/373855706.db2.gz KORRPINCVVFNMW-STQMWFEESA-N 1 3 281.331 -0.027 20 0 CBADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000522000170 373856503 /nfs/dbraw/zinc/85/65/03/373856503.db2.gz KORRPINCVVFNMW-QWHCGFSZSA-N 1 3 281.331 -0.027 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](CN)C1 ZINC000529347343 374008841 /nfs/dbraw/zinc/00/88/41/374008841.db2.gz CKYROCGWOICMMI-RYUDHWBXSA-N 1 3 281.404 -0.445 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529354181 374011273 /nfs/dbraw/zinc/01/12/73/374011273.db2.gz JUEQARZSUSBKFB-AAEUAGOBSA-N 1 3 282.388 -0.363 20 0 CBADHO O=C1NCC[C@@H]1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239706 374068421 /nfs/dbraw/zinc/06/84/21/374068421.db2.gz HCZJEUIHJKDHSV-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN(CC)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552208582 374263882 /nfs/dbraw/zinc/26/38/82/374263882.db2.gz SNFRUARZDDNIAU-AWEZNQCLSA-N 1 3 269.389 -0.099 20 0 CBADHO CC1(C)CNCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000644075188 374486347 /nfs/dbraw/zinc/48/63/47/374486347.db2.gz XJYSNKSKGARQGJ-UHFFFAOYSA-N 1 3 266.349 -0.549 20 0 CBADHO CO[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000644106038 374489292 /nfs/dbraw/zinc/48/92/92/374489292.db2.gz JXHHYINJMDBTRQ-XQQFMLRXSA-N 1 3 285.388 -0.280 20 0 CBADHO CO[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000644106037 374489304 /nfs/dbraw/zinc/48/93/04/374489304.db2.gz JXHHYINJMDBTRQ-UPJWGTAASA-N 1 3 285.388 -0.280 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]C1 ZINC000644141983 374492369 /nfs/dbraw/zinc/49/23/69/374492369.db2.gz XIGXLQWQPJQUDB-NHCYSSNCSA-N 1 3 259.325 -0.571 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000574524535 335026964 /nfs/dbraw/zinc/02/69/64/335026964.db2.gz DQSNKPIEVZDNTB-KGLIPLIRSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000574524535 335026966 /nfs/dbraw/zinc/02/69/66/335026966.db2.gz DQSNKPIEVZDNTB-KGLIPLIRSA-N 1 3 271.405 -0.389 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000574524535 335026967 /nfs/dbraw/zinc/02/69/67/335026967.db2.gz DQSNKPIEVZDNTB-KGLIPLIRSA-N 1 3 271.405 -0.389 20 0 CBADHO COC1CCN(CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000646181096 374750619 /nfs/dbraw/zinc/75/06/19/374750619.db2.gz VMWBPTQCQQXYON-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO COC1CCN(CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000646180857 374750676 /nfs/dbraw/zinc/75/06/76/374750676.db2.gz GULQMWBFZGQROW-CYBMUJFWSA-N 1 3 285.388 -0.408 20 0 CBADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000574533354 335028037 /nfs/dbraw/zinc/02/80/37/335028037.db2.gz FUZJNGPQCIYEBQ-LBPRGKRZSA-N 1 3 294.399 -0.449 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000645951641 374716683 /nfs/dbraw/zinc/71/66/83/374716683.db2.gz SATMMSDEGDRZQE-SDDRHHMPSA-N 1 3 255.362 -0.179 20 0 CBADHO O=C(CCOC1CNC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953212 374717686 /nfs/dbraw/zinc/71/76/86/374717686.db2.gz IUOQINKEZPRLGR-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCOC1CNC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953212 374717694 /nfs/dbraw/zinc/71/76/94/374717694.db2.gz IUOQINKEZPRLGR-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646002863 374724329 /nfs/dbraw/zinc/72/43/29/374724329.db2.gz HTNNIGDGAPAWLK-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO CC[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002863 374724334 /nfs/dbraw/zinc/72/43/34/374724334.db2.gz HTNNIGDGAPAWLK-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)COCC[NH3+])CC2)C1 ZINC000646002756 374724360 /nfs/dbraw/zinc/72/43/60/374724360.db2.gz BSWZBVQHRLJCCO-CYBMUJFWSA-N 1 3 284.404 -0.800 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646003144 374724599 /nfs/dbraw/zinc/72/45/99/374724599.db2.gz UKCFQNLKAZEZFE-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNC3CC3)CC2)C1 ZINC000646002718 374725021 /nfs/dbraw/zinc/72/50/21/374725021.db2.gz AFAQOSFVCAYUAP-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)CNC3CC3)CC2)C1 ZINC000646002718 374725027 /nfs/dbraw/zinc/72/50/27/374725027.db2.gz AFAQOSFVCAYUAP-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000646108723 374740285 /nfs/dbraw/zinc/74/02/85/374740285.db2.gz XGYMUPKKOYOXOH-OLZOCXBDSA-N 1 3 282.432 -0.016 20 0 CBADHO CN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646116448 374742346 /nfs/dbraw/zinc/74/23/46/374742346.db2.gz WYQWDOYSNZOQTN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C(=O)CNC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000646626766 374795632 /nfs/dbraw/zinc/79/56/32/374795632.db2.gz DHNACOGFYHUWEZ-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000646680229 374803826 /nfs/dbraw/zinc/80/38/26/374803826.db2.gz ATXVABGVYZJLDS-OUJBWJOFSA-N 1 3 255.362 -0.146 20 0 CBADHO CC(C)(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCNCC1 ZINC000646336002 374771054 /nfs/dbraw/zinc/77/10/54/374771054.db2.gz FLTDEBXLWRVIIF-STQMWFEESA-N 1 3 280.416 -0.119 20 0 CBADHO C[NH+](C)C[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000646533835 374784534 /nfs/dbraw/zinc/78/45/34/374784534.db2.gz FTKUYUBLVJSEEP-NSHDSACASA-N 1 3 255.362 -0.225 20 0 CBADHO CCC[C@@](C)(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000646576206 374790829 /nfs/dbraw/zinc/79/08/29/374790829.db2.gz GGPGCRHOYWICBT-CYBMUJFWSA-N 1 3 256.394 -0.085 20 0 CBADHO [NH3+]CC[C@H](NC(=O)CCOC1CNC1)C(F)F ZINC000647072016 374879427 /nfs/dbraw/zinc/87/94/27/374879427.db2.gz MBVPQPYPNFIWKN-QMMMGPOBSA-N 1 3 251.277 -0.536 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000647087921 374884325 /nfs/dbraw/zinc/88/43/25/374884325.db2.gz WVOMFCJUVPPQBO-NWDGAFQWSA-N 1 3 292.387 -0.102 20 0 CBADHO O=C([C@@H]1CNCCC1(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113493 374887062 /nfs/dbraw/zinc/88/70/62/374887062.db2.gz HLHFJGXDIARSMZ-AEJSXWLSSA-N 1 3 259.300 -0.091 20 0 CBADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000574551159 335028934 /nfs/dbraw/zinc/02/89/34/335028934.db2.gz BCCJWRFMLJEMFG-UHFFFAOYSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1[NH3+] ZINC000647015231 374860577 /nfs/dbraw/zinc/86/05/77/374860577.db2.gz KUKDXCVVHMGSLB-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000647022846 374863060 /nfs/dbraw/zinc/86/30/60/374863060.db2.gz HZZKPHINZKRLJE-QISWUMQESA-N 1 3 255.362 -0.018 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356383592 248243013 /nfs/dbraw/zinc/24/30/13/248243013.db2.gz BVBXREPAGPOEAT-SCVCMEIPSA-N 1 3 270.377 -0.705 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)CN1 ZINC000356397575 248243796 /nfs/dbraw/zinc/24/37/96/248243796.db2.gz XXYVYPRYAPUTKJ-FRRDWIJNSA-N 1 3 296.415 -0.395 20 0 CBADHO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H]2COCCN2)CC1 ZINC000357225472 248335557 /nfs/dbraw/zinc/33/55/57/248335557.db2.gz NIUKYHKFYSFESZ-KGLIPLIRSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@H](CNC(=O)[C@H](C)C[NH3+])CN1CCN(C)CC1 ZINC000357240095 248338566 /nfs/dbraw/zinc/33/85/66/248338566.db2.gz JEWBFGBOFLASHH-VXGBXAGGSA-N 1 3 256.394 -0.419 20 0 CBADHO C[C@@H](C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000357249353 248339517 /nfs/dbraw/zinc/33/95/17/248339517.db2.gz SEMRDJANRNHQFP-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357303238 248348101 /nfs/dbraw/zinc/34/81/01/248348101.db2.gz IHQZEVWIQLQANE-XRRVDJEJSA-N 1 3 284.404 -0.411 20 0 CBADHO [NH3+]C[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000358133302 248456325 /nfs/dbraw/zinc/45/63/25/248456325.db2.gz FNAFWXAALUJULM-CQSZACIVSA-N 1 3 296.415 -0.611 20 0 CBADHO CCC[C@H]1CNCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653129001 412885140 /nfs/dbraw/zinc/88/51/40/412885140.db2.gz JFUMYPXVIYVCOQ-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346863707 218041315 /nfs/dbraw/zinc/04/13/15/218041315.db2.gz XYUWUDZNQNBZEI-UHTWSYAYSA-N 1 3 292.383 -0.357 20 0 CBADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000347660061 218311920 /nfs/dbraw/zinc/31/19/20/218311920.db2.gz SDWZQXTUULMSJX-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349024885 285020582 /nfs/dbraw/zinc/02/05/82/285020582.db2.gz FVGHUWDXCRKQSD-GFCCVEGCSA-N 1 3 285.388 -0.408 20 0 CBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419419461 207690809 /nfs/dbraw/zinc/69/08/09/207690809.db2.gz ZAACHTJPASXEQM-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417570843 285034069 /nfs/dbraw/zinc/03/40/69/285034069.db2.gz SGQICAOHTGHGHV-NSHDSACASA-N 1 3 258.366 -0.255 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000423625981 207918906 /nfs/dbraw/zinc/91/89/06/207918906.db2.gz RVIWNDUMMTVZTG-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427270792 208057564 /nfs/dbraw/zinc/05/75/64/208057564.db2.gz XZCJLJPGXDTFKU-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000427577186 208064240 /nfs/dbraw/zinc/06/42/40/208064240.db2.gz JRGLQXXUQCVNJG-UTUOFQBUSA-N 1 3 255.362 -0.131 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428981220 208106268 /nfs/dbraw/zinc/10/62/68/208106268.db2.gz QCTOGZPLDXBOJO-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000429166880 208113351 /nfs/dbraw/zinc/11/33/51/208113351.db2.gz KDJQGWSZMMAMRY-NEPJUHHUSA-N 1 3 284.404 -0.504 20 0 CBADHO O=C(COC1CNC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430715993 208174771 /nfs/dbraw/zinc/17/47/71/208174771.db2.gz RNXVFIZMIXFRRM-JTQLQIEISA-N 1 3 253.346 -0.425 20 0 CBADHO O=C(COC1CNC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430715993 208174775 /nfs/dbraw/zinc/17/47/75/208174775.db2.gz RNXVFIZMIXFRRM-JTQLQIEISA-N 1 3 253.346 -0.425 20 0 CBADHO Cn1c(C[NH2+][C@](C)(CN)C2CC2)cc(=O)n(C)c1=O ZINC000430566640 208165799 /nfs/dbraw/zinc/16/57/99/208165799.db2.gz HKVBOZUFPFBTOG-CYBMUJFWSA-N 1 3 266.345 -0.699 20 0 CBADHO COCCNCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000430686871 208171283 /nfs/dbraw/zinc/17/12/83/208171283.db2.gz OBOHHSVJCPNWGT-LBPRGKRZSA-N 1 3 275.418 -0.224 20 0 CBADHO O=C(C[NH2+]CC1CC1)NCCCN1CCC(O)CC1 ZINC000430754893 208179548 /nfs/dbraw/zinc/17/95/48/208179548.db2.gz OSKSCSQHOQBDSM-UHFFFAOYSA-N 1 3 269.389 -0.051 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430765817 208179709 /nfs/dbraw/zinc/17/97/09/208179709.db2.gz WAWXXQVRBOLBMV-GFCCVEGCSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430776698 208181058 /nfs/dbraw/zinc/18/10/58/208181058.db2.gz QQJJHGIQXPFBEP-ZDUSSCGKSA-N 1 3 299.415 -0.066 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000430870404 208188355 /nfs/dbraw/zinc/18/83/55/208188355.db2.gz UKQUBHWNGSMHIM-CQSZACIVSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431020836 208199103 /nfs/dbraw/zinc/19/91/03/208199103.db2.gz FEHYWOCBCUCOFA-LBPRGKRZSA-N 1 3 284.404 -0.883 20 0 CBADHO CCN1CCN(CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431011793 208199284 /nfs/dbraw/zinc/19/92/84/208199284.db2.gz VKUVYJZOPFROME-AWEZNQCLSA-N 1 3 298.431 -0.491 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)COC1CNC1 ZINC000431011244 208199594 /nfs/dbraw/zinc/19/95/94/208199594.db2.gz CKFPKTUMKPRUNA-NSHDSACASA-N 1 3 273.377 -0.552 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431019372 208199900 /nfs/dbraw/zinc/19/99/00/208199900.db2.gz OKUMDYVGQJPJAB-GFCCVEGCSA-N 1 3 256.394 -0.404 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000431015665 208200139 /nfs/dbraw/zinc/20/01/39/208200139.db2.gz PZGVCBMTRJMWBJ-STQMWFEESA-N 1 3 268.405 -0.404 20 0 CBADHO CCN(C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433383914 208245807 /nfs/dbraw/zinc/24/58/07/208245807.db2.gz BUULACYSKOFLBE-NSHDSACASA-N 1 3 280.376 -0.116 20 0 CBADHO CN1CC[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375255 208244357 /nfs/dbraw/zinc/24/43/57/208244357.db2.gz HCZPYJGXSJVWDX-NWDGAFQWSA-N 1 3 292.387 -0.116 20 0 CBADHO CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433117449 208236908 /nfs/dbraw/zinc/23/69/08/208236908.db2.gz NMGKENZNEDOCEI-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1CN ZINC000574862098 335052986 /nfs/dbraw/zinc/05/29/86/335052986.db2.gz CPPMGIVNBIHIDX-NEPJUHHUSA-N 1 3 271.409 -0.356 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083548 285256140 /nfs/dbraw/zinc/25/61/40/285256140.db2.gz WXQZOEOZXBHVPC-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(N)=O ZINC000345221394 285275500 /nfs/dbraw/zinc/27/55/00/285275500.db2.gz LOZSEEKYLXUYOF-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(N)=O ZINC000345221394 285275502 /nfs/dbraw/zinc/27/55/02/285275502.db2.gz LOZSEEKYLXUYOF-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CC[N@H+](C)CCNC(=O)NCCN(C)CCOC ZINC000171202646 335059160 /nfs/dbraw/zinc/05/91/60/335059160.db2.gz XJWKIGFSJBASSZ-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO CC[N@@H+](C)CCNC(=O)NCCN(C)CCOC ZINC000171202646 335059162 /nfs/dbraw/zinc/05/91/62/335059162.db2.gz XJWKIGFSJBASSZ-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO O=C([C@@H]1CCCCN1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956883 304318467 /nfs/dbraw/zinc/31/84/67/304318467.db2.gz FPCGZUKAZXAUSP-OLZOCXBDSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCOC1CNC1 ZINC000357314124 296586221 /nfs/dbraw/zinc/58/62/21/296586221.db2.gz LOZVYXDCCRATQE-GBIKHYSHSA-N 1 3 255.362 -0.132 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419953628 286822958 /nfs/dbraw/zinc/82/29/58/286822958.db2.gz LECPWBXQMQXEMP-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420028347 286825901 /nfs/dbraw/zinc/82/59/01/286825901.db2.gz MGHZUXLWPIBHNR-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCNC2=O)CC1 ZINC000245681675 287086417 /nfs/dbraw/zinc/08/64/17/287086417.db2.gz KZRSLRSXDMKSQD-YPMHNXCESA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631296 411624292 /nfs/dbraw/zinc/62/42/92/411624292.db2.gz UQNSPAMKNYPKEC-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418507585 292561507 /nfs/dbraw/zinc/56/15/07/292561507.db2.gz LCHKAVLAHWADBE-MNOVXSKESA-N 1 3 258.366 -0.386 20 0 CBADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751281 413991072 /nfs/dbraw/zinc/99/10/72/413991072.db2.gz YPIOJKUIEJNFSI-NXEZZACHSA-N 1 3 279.344 -0.355 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000038098280 174113465 /nfs/dbraw/zinc/11/34/65/174113465.db2.gz ZIIHMXBAZZZAOA-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000038978078 174160294 /nfs/dbraw/zinc/16/02/94/174160294.db2.gz UYHFFDZWQVUNTA-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCN(C)C2CC2)[C@@H]1C[NH3+] ZINC000419097555 287325487 /nfs/dbraw/zinc/32/54/87/287325487.db2.gz GANOCSQGQDGDAH-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000082258033 544429258 /nfs/dbraw/zinc/42/92/58/544429258.db2.gz AMDVHNPYMNYZCY-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000089698321 544436413 /nfs/dbraw/zinc/43/64/13/544436413.db2.gz YZLVQTYWWXGCDS-SNVBAGLBSA-N 1 3 266.349 -0.549 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000098061744 544446895 /nfs/dbraw/zinc/44/68/95/544446895.db2.gz KSVMZKQVPBSNMZ-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO CC1(OCC(=O)NCCN2CCCCC2)C[NH2+]C1 ZINC000098061583 544447181 /nfs/dbraw/zinc/44/71/81/544447181.db2.gz BCRRUHYBXROBPJ-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO C[NH+](C)C1(CNC(=O)CN2CCNCC2)CCCC1 ZINC000132452321 544460213 /nfs/dbraw/zinc/46/02/13/544460213.db2.gz UPJXXCLWYLSKGA-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)CCN1C ZINC000156146602 544471244 /nfs/dbraw/zinc/47/12/44/544471244.db2.gz LOHCEORHQOZSRB-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOC2(CNC2)C1 ZINC000333949259 544547063 /nfs/dbraw/zinc/54/70/63/544547063.db2.gz XCKFCNJJALXWCX-CHWSQXEVSA-N 1 3 294.399 -0.003 20 0 CBADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCOC2(CNC2)C1 ZINC000333949259 544547066 /nfs/dbraw/zinc/54/70/66/544547066.db2.gz XCKFCNJJALXWCX-CHWSQXEVSA-N 1 3 294.399 -0.003 20 0 CBADHO CC(C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000261545128 544516244 /nfs/dbraw/zinc/51/62/44/544516244.db2.gz FPNOOVXAYDBWEX-IMSYWVGJSA-N 1 3 262.375 -0.078 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N(C)CC1CN(C)C1 ZINC000660585907 419414084 /nfs/dbraw/zinc/41/40/84/419414084.db2.gz TWILJGNFNKWBPG-UHFFFAOYSA-N 1 3 272.393 -0.232 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N(C)CC1CN(C)C1 ZINC000660585907 419414090 /nfs/dbraw/zinc/41/40/90/419414090.db2.gz TWILJGNFNKWBPG-UHFFFAOYSA-N 1 3 272.393 -0.232 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(=O)n(C)c1 ZINC000103212751 419478918 /nfs/dbraw/zinc/47/89/18/419478918.db2.gz QNIQXARIDSTZCC-UHFFFAOYSA-N 1 3 294.399 -0.049 20 0 CBADHO COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC2CN(C)C2)C1 ZINC000660704511 419427948 /nfs/dbraw/zinc/42/79/48/419427948.db2.gz OXMNIICQMGGDKX-ZDUSSCGKSA-N 1 3 284.404 -0.090 20 0 CBADHO COCC[N@H+]1CC[C@H](NC(=O)N(C)CC2CN(C)C2)C1 ZINC000660704511 419427954 /nfs/dbraw/zinc/42/79/54/419427954.db2.gz OXMNIICQMGGDKX-ZDUSSCGKSA-N 1 3 284.404 -0.090 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973521 419459207 /nfs/dbraw/zinc/45/92/07/419459207.db2.gz VIPJYKOJHJERSD-CQSZACIVSA-N 1 3 280.416 -0.022 20 0 CBADHO OCCN(CCN1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662261407 419567695 /nfs/dbraw/zinc/56/76/95/419567695.db2.gz XKNLQQRHBKFCHQ-AWEZNQCLSA-N 1 3 299.415 -0.866 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000388954271 544576784 /nfs/dbraw/zinc/57/67/84/544576784.db2.gz ZRUZEEYWCJRVIV-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000388954271 544576789 /nfs/dbraw/zinc/57/67/89/544576789.db2.gz ZRUZEEYWCJRVIV-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CN1CCC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245208 419559622 /nfs/dbraw/zinc/55/96/22/419559622.db2.gz RZZIMJLYIOXLTG-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO O=C1NCCN1[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253718 419561863 /nfs/dbraw/zinc/56/18/63/419561863.db2.gz JZTTVTJLKAPNFK-STQMWFEESA-N 1 3 294.399 -0.003 20 0 CBADHO CC(C)CN(CC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252304 419563386 /nfs/dbraw/zinc/56/33/86/419563386.db2.gz OYNYCXIUDRMLPC-LLVKDONJSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000388954263 544577774 /nfs/dbraw/zinc/57/77/74/544577774.db2.gz ZRUZEEYWCJRVIV-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000388954263 544577776 /nfs/dbraw/zinc/57/77/76/544577776.db2.gz ZRUZEEYWCJRVIV-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CC1(C)CN[C@@H]1C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000644113991 419565547 /nfs/dbraw/zinc/56/55/47/419565547.db2.gz YTYNNBUQTCCDAE-MWLCHTKSSA-N 1 3 263.345 0.354 20 0 CBADHO C[C@H](O)CN1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261311 419565818 /nfs/dbraw/zinc/56/58/18/419565818.db2.gz HLDWFOACYGJWJI-MELADBBJSA-N 1 3 283.416 -0.106 20 0 CBADHO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000662273281 419565886 /nfs/dbraw/zinc/56/58/86/419565886.db2.gz NHSJWIPJVZJCRO-RYUDHWBXSA-N 1 3 265.361 -0.645 20 0 CBADHO COC[C@@](C)(CCO)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662259191 419565979 /nfs/dbraw/zinc/56/59/79/419565979.db2.gz RNJCSCNMDSJBIC-VXGBXAGGSA-N 1 3 258.362 -0.116 20 0 CBADHO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000662273283 419567073 /nfs/dbraw/zinc/56/70/73/419567073.db2.gz NHSJWIPJVZJCRO-VXGBXAGGSA-N 1 3 265.361 -0.645 20 0 CBADHO C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CN1C1CC1 ZINC000662539652 419634845 /nfs/dbraw/zinc/63/48/45/419634845.db2.gz GWAOCUOFAWPTBB-UWVGGRQHSA-N 1 3 278.360 -0.408 20 0 CBADHO CCCC[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236740588 419570812 /nfs/dbraw/zinc/57/08/12/419570812.db2.gz HFQRWGIXUOPLTQ-GFCCVEGCSA-N 1 3 256.394 -0.085 20 0 CBADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@@H]1CCC[NH2+]C1 ZINC000647723925 419639275 /nfs/dbraw/zinc/63/92/75/419639275.db2.gz AUWSDAQNLVMPFW-GHMZBOCLSA-N 1 3 255.362 -0.131 20 0 CBADHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COCCO1 ZINC000662307483 419586835 /nfs/dbraw/zinc/58/68/35/419586835.db2.gz WHEJRIXLYJEADP-NEPJUHHUSA-N 1 3 256.346 -0.145 20 0 CBADHO CN[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662340753 419589141 /nfs/dbraw/zinc/58/91/41/419589141.db2.gz HOCNMTQQXWEQNR-XQQFMLRXSA-N 1 3 296.415 -0.299 20 0 CBADHO CN[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662340752 419589283 /nfs/dbraw/zinc/58/92/83/419589283.db2.gz HOCNMTQQXWEQNR-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662388306 419591259 /nfs/dbraw/zinc/59/12/59/419591259.db2.gz PJQWJKYHNSDRMU-LLVKDONJSA-N 1 3 280.376 -0.302 20 0 CBADHO O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000647517592 419599628 /nfs/dbraw/zinc/59/96/28/419599628.db2.gz ZDDZHXTVRGEKEB-QWHCGFSZSA-N 1 3 285.388 -0.984 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662441605 419604827 /nfs/dbraw/zinc/60/48/27/419604827.db2.gz KSOCAJDYIHYYPF-NSHDSACASA-N 1 3 296.375 -0.923 20 0 CBADHO CN(C)C[C@H](CO)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535938 419608357 /nfs/dbraw/zinc/60/83/57/419608357.db2.gz KBSZLXLWQGDRTC-CVEARBPZSA-N 1 3 295.427 -0.009 20 0 CBADHO CN(C)C[C@H](CO)NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535938 419608360 /nfs/dbraw/zinc/60/83/60/419608360.db2.gz KBSZLXLWQGDRTC-CVEARBPZSA-N 1 3 295.427 -0.009 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C1CC1 ZINC000647594964 419619999 /nfs/dbraw/zinc/61/99/99/419619999.db2.gz BFNXUASTMRCRFD-GARJFASQSA-N 1 3 284.404 -0.173 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000647595161 419620415 /nfs/dbraw/zinc/62/04/15/419620415.db2.gz QXFWTSHKBWNOKP-GMXVVIOVSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497456 419620845 /nfs/dbraw/zinc/62/08/45/419620845.db2.gz JNOQLNWOBVLWOE-KOLCDFICSA-N 1 3 278.360 -0.551 20 0 CBADHO CN(C)[C@]1(CNC(=O)c2cn(CC[NH3+])nn2)CCSC1 ZINC000662488937 419621046 /nfs/dbraw/zinc/62/10/46/419621046.db2.gz BCEKGOVXYZCEQZ-LBPRGKRZSA-N 1 3 298.416 -0.596 20 0 CBADHO COC[C@]1(C(=O)NCCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000315066810 419628479 /nfs/dbraw/zinc/62/84/79/419628479.db2.gz APQJALFJTYFBRG-HNNXBMFYSA-N 1 3 298.431 -0.634 20 0 CBADHO COC[C@@]1(C(=O)NCCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000315066820 419628788 /nfs/dbraw/zinc/62/87/88/419628788.db2.gz APQJALFJTYFBRG-OAHLLOKOSA-N 1 3 298.431 -0.634 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCN(CC)CC1 ZINC000662525241 419629326 /nfs/dbraw/zinc/62/93/26/419629326.db2.gz FZZRWGKWZFBOLB-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CC(C)NCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662516587 419631069 /nfs/dbraw/zinc/63/10/69/419631069.db2.gz DGYXCIXZUSIZRG-GFCCVEGCSA-N 1 3 254.378 -0.510 20 0 CBADHO CN(C)CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662516280 419631541 /nfs/dbraw/zinc/63/15/41/419631541.db2.gz DDYMVXYBEFBPIK-VIFPVBQESA-N 1 3 251.334 -0.222 20 0 CBADHO O=C([C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824831 419663262 /nfs/dbraw/zinc/66/32/62/419663262.db2.gz YYHCZJUOFSVXLE-KGLIPLIRSA-N 1 3 280.416 -0.260 20 0 CBADHO C[C@@H](CN1CCOCC1)N(C)CCN1CC[NH2+]CC1 ZINC000647836138 419665135 /nfs/dbraw/zinc/66/51/35/419665135.db2.gz AOHJEGTZMNQDAF-AWEZNQCLSA-N 1 3 270.421 -0.456 20 0 CBADHO C[NH2+]C[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000647836723 419667111 /nfs/dbraw/zinc/66/71/11/419667111.db2.gz APQQYNNTDAJDHZ-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO CC1(OCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CNC1 ZINC000647847017 419668536 /nfs/dbraw/zinc/66/85/36/419668536.db2.gz UBHXWMWUFUMKFI-MNOVXSKESA-N 1 3 253.346 -0.282 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1CC[NH2+]CC1 ZINC000662660063 419673924 /nfs/dbraw/zinc/67/39/24/419673924.db2.gz SOKBUQWWGMVUCB-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[NH2+]CC1CC1 ZINC000662660711 419674146 /nfs/dbraw/zinc/67/41/46/419674146.db2.gz YQABJBXHFMAEGZ-UHFFFAOYSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662659358 419674806 /nfs/dbraw/zinc/67/48/06/419674806.db2.gz KKMNZYHHMISLFE-IUODEOHRSA-N 1 3 296.415 -0.536 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662662101 419674883 /nfs/dbraw/zinc/67/48/83/419674883.db2.gz ZHTRIPDFOQEYJL-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662659554 419674997 /nfs/dbraw/zinc/67/49/97/419674997.db2.gz NJCCYDUCURPCLH-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000647876978 419679566 /nfs/dbraw/zinc/67/95/66/419679566.db2.gz FNRRZJPQSFVYRF-LPEHRKFASA-N 1 3 277.315 -0.194 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662710369 419693545 /nfs/dbraw/zinc/69/35/45/419693545.db2.gz HRGDJPARVVMNAK-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662702999 419695729 /nfs/dbraw/zinc/69/57/29/419695729.db2.gz GCLZKQZCAAEKSI-WDEREUQCSA-N 1 3 259.350 -0.955 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662713837 419698085 /nfs/dbraw/zinc/69/80/85/419698085.db2.gz ZJPYZFQJOVCEKR-UTUOFQBUSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1O ZINC000647994563 419708321 /nfs/dbraw/zinc/70/83/21/419708321.db2.gz QEYODDOSRMKHIG-UBHSHLNASA-N 1 3 296.415 -0.213 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1O ZINC000647994563 419708327 /nfs/dbraw/zinc/70/83/27/419708327.db2.gz QEYODDOSRMKHIG-UBHSHLNASA-N 1 3 296.415 -0.213 20 0 CBADHO C[C@H](CNC(=O)CC1([NH3+])CC1)CN1CCN(C)CC1 ZINC000662755968 419709746 /nfs/dbraw/zinc/70/97/46/419709746.db2.gz FHNUXYILCGUYMG-GFCCVEGCSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662758214 419710824 /nfs/dbraw/zinc/71/08/24/419710824.db2.gz OJPMWOZJPBIIOZ-MCIONIFRSA-N 1 3 298.431 -0.508 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662573653 419644954 /nfs/dbraw/zinc/64/49/54/419644954.db2.gz JFDLFUHHAQRIFF-NSHDSACASA-N 1 3 294.355 -0.140 20 0 CBADHO CN(CCN1CCCCC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662585397 419647054 /nfs/dbraw/zinc/64/70/54/419647054.db2.gz WUHMVQFUFCMXCG-UHFFFAOYSA-N 1 3 280.376 -0.205 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769868 419651520 /nfs/dbraw/zinc/65/15/20/419651520.db2.gz NGIYGUFBKFECLG-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000648110748 419734387 /nfs/dbraw/zinc/73/43/87/419734387.db2.gz MDQJCWRQBQAISD-DTWKUNHWSA-N 1 3 263.288 -0.583 20 0 CBADHO CC[C@H]1CN(C(=O)COC2(C)CNC2)CC[C@@H]1[NH3+] ZINC000648126510 419742027 /nfs/dbraw/zinc/74/20/27/419742027.db2.gz LLZOKKMQPTTWOC-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO COC[C@]1(CNC(=O)COC2(C)CNC2)CCC[NH2+]1 ZINC000648136518 419750268 /nfs/dbraw/zinc/75/02/68/419750268.db2.gz OXWPRFVCPSHWRO-CYBMUJFWSA-N 1 3 271.361 -0.750 20 0 CBADHO COC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]CC1 ZINC000648140979 419751356 /nfs/dbraw/zinc/75/13/56/419751356.db2.gz VBNHQIKKPHUZLK-UWVGGRQHSA-N 1 3 259.325 -0.429 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1=O ZINC000648140918 419752392 /nfs/dbraw/zinc/75/23/92/419752392.db2.gz QNDRTKFMAXUVEP-GARJFASQSA-N 1 3 286.351 -0.858 20 0 CBADHO CC1(OCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CNC1 ZINC000648137981 419753096 /nfs/dbraw/zinc/75/30/96/419753096.db2.gz YJTCQYZZRJFBEN-CQSZACIVSA-N 1 3 267.373 -0.033 20 0 CBADHO CC1(OCC(=O)N[C@@H](CC[NH3+])C(F)F)CNC1 ZINC000648146047 419753924 /nfs/dbraw/zinc/75/39/24/419753924.db2.gz SXYWETANMFWBHM-ZETCQYMHSA-N 1 3 251.277 -0.536 20 0 CBADHO CC1(OCC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CNC1 ZINC000648147526 419754649 /nfs/dbraw/zinc/75/46/49/419754649.db2.gz NGZRPFJGEPXALS-LBPRGKRZSA-N 1 3 297.399 -0.421 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000648148145 419756306 /nfs/dbraw/zinc/75/63/06/419756306.db2.gz LYBHBHDZTKITNR-PWSUYJOCSA-N 1 3 284.404 -0.410 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1([NH3+])CC1 ZINC000662875279 419759807 /nfs/dbraw/zinc/75/98/07/419759807.db2.gz VCXBNTOGIZIUHW-UHFFFAOYSA-N 1 3 270.377 -0.654 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662874052 419761345 /nfs/dbraw/zinc/76/13/45/419761345.db2.gz LUWCEIURYHYLDH-XYPYZODXSA-N 1 3 270.377 -0.798 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662886361 419764759 /nfs/dbraw/zinc/76/47/59/419764759.db2.gz FJWHGXPICSAFDY-YNEHKIRRSA-N 1 3 269.389 -0.054 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000662926549 419778697 /nfs/dbraw/zinc/77/86/97/419778697.db2.gz PTWQBGPYBPHDLW-LBPRGKRZSA-N 1 3 284.404 -0.406 20 0 CBADHO COCCNCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662973649 419802001 /nfs/dbraw/zinc/80/20/01/419802001.db2.gz SZNVQTQWORLRTC-ZDUSSCGKSA-N 1 3 287.404 -0.208 20 0 CBADHO NCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013948 419809898 /nfs/dbraw/zinc/80/98/98/419809898.db2.gz HUMYNJABUWUHES-LLVKDONJSA-N 1 3 292.387 -0.516 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)N(C)C ZINC000649271749 419858651 /nfs/dbraw/zinc/85/86/51/419858651.db2.gz VXAOFHJJQRJQLB-CYBMUJFWSA-N 1 3 270.421 -0.064 20 0 CBADHO CC(C)[C@H]1CN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC[NH2+]1 ZINC000663222898 419829805 /nfs/dbraw/zinc/82/98/05/419829805.db2.gz OBDFVJDKSMLILB-CHWSQXEVSA-N 1 3 296.415 -0.395 20 0 CBADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663218061 419829829 /nfs/dbraw/zinc/82/98/29/419829829.db2.gz YJHOCHLFCVOBLL-CMPLNLGQSA-N 1 3 251.330 -0.813 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](N2CC[C@H]3COC[C@@H]3C2)C1=O ZINC000663221584 419830710 /nfs/dbraw/zinc/83/07/10/419830710.db2.gz PRECFBCLGDBTOY-AVGNSLFASA-N 1 3 295.383 -0.356 20 0 CBADHO CCN1CCN(CCC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274629 419859163 /nfs/dbraw/zinc/85/91/63/419859163.db2.gz SGSYVVRVMKZRNV-UONOGXRCSA-N 1 3 298.431 -0.411 20 0 CBADHO CN1CCN(Cc2nc3c(s2)CNCC3)[C@H](C[NH3+])C1 ZINC000663493776 419841878 /nfs/dbraw/zinc/84/18/78/419841878.db2.gz JVPAHDZTASRULC-SNVBAGLBSA-N 1 3 281.429 -0.137 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)C1CCN(C)CC1 ZINC000649271637 419859459 /nfs/dbraw/zinc/85/94/59/419859459.db2.gz PTTAJZHZJMQZOP-UHFFFAOYSA-N 1 3 268.405 -0.308 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491969 419843440 /nfs/dbraw/zinc/84/34/40/419843440.db2.gz OPEJBIKRYNSVCS-ZDUSSCGKSA-N 1 3 275.352 -0.243 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681316 419855123 /nfs/dbraw/zinc/85/51/23/419855123.db2.gz JRIKHPRROZJRSY-XUXIUFHCSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681316 419855129 /nfs/dbraw/zinc/85/51/29/419855129.db2.gz JRIKHPRROZJRSY-XUXIUFHCSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000663718184 419856732 /nfs/dbraw/zinc/85/67/32/419856732.db2.gz ZMHXQTQYWBKDEK-MQYQWHSLSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000663718184 419856738 /nfs/dbraw/zinc/85/67/38/419856738.db2.gz ZMHXQTQYWBKDEK-MQYQWHSLSA-N 1 3 296.415 -0.071 20 0 CBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273749 419857689 /nfs/dbraw/zinc/85/76/89/419857689.db2.gz BQQHLQJDGMXDCA-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649314151 419877316 /nfs/dbraw/zinc/87/73/16/419877316.db2.gz OYGDFJJTMCCFOP-JTQLQIEISA-N 1 3 279.331 -0.074 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649323715 419887534 /nfs/dbraw/zinc/88/75/34/419887534.db2.gz SPTTVGXXNRUICW-WYUUTHIRSA-N 1 3 253.346 -0.711 20 0 CBADHO O=C(NCCN1CCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000649280636 419863407 /nfs/dbraw/zinc/86/34/07/419863407.db2.gz ANAYRGDRUDTANT-GFCCVEGCSA-N 1 3 292.387 -0.144 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000666920291 544650521 /nfs/dbraw/zinc/65/05/21/544650521.db2.gz REJUJLOUUVLRID-MELADBBJSA-N 1 3 296.415 -0.069 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000666920291 544650523 /nfs/dbraw/zinc/65/05/23/544650523.db2.gz REJUJLOUUVLRID-MELADBBJSA-N 1 3 296.415 -0.069 20 0 CBADHO CN(C)C(=O)CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649411152 419909179 /nfs/dbraw/zinc/90/91/79/419909179.db2.gz XCLVREOBQZVUCP-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649418711 419910719 /nfs/dbraw/zinc/91/07/19/419910719.db2.gz ZMBLKVRUNUPKDN-OCCSQVGLSA-N 1 3 280.416 -0.119 20 0 CBADHO CC[NH+](CC)CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358691422 419911562 /nfs/dbraw/zinc/91/15/62/419911562.db2.gz YTFZSQIKGIRNGK-ZDUSSCGKSA-N 1 3 272.393 -0.306 20 0 CBADHO C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000664630154 419911816 /nfs/dbraw/zinc/91/18/16/419911816.db2.gz QFVSAYOAWQBAEU-XBFCOCLRSA-N 1 3 296.415 -0.047 20 0 CBADHO C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000664630154 419911820 /nfs/dbraw/zinc/91/18/20/419911820.db2.gz QFVSAYOAWQBAEU-XBFCOCLRSA-N 1 3 296.415 -0.047 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000664727823 419914237 /nfs/dbraw/zinc/91/42/37/419914237.db2.gz QZJFIRVAWVVUTH-GHMZBOCLSA-N 1 3 253.346 -0.425 20 0 CBADHO NC1(C(=O)N2CCOC3(C[NH2+]C3)C2)Cc2ccccc2C1 ZINC000664725524 419914513 /nfs/dbraw/zinc/91/45/13/419914513.db2.gz KXMWZTQUDCIDML-UHFFFAOYSA-N 1 3 287.363 -0.317 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669452005 544749053 /nfs/dbraw/zinc/74/90/53/544749053.db2.gz NSHMUDYZHVKHDK-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000669402977 544749362 /nfs/dbraw/zinc/74/93/62/544749362.db2.gz CNKDWAGIZNOXLQ-ZIAGYGMSSA-N 1 3 295.431 -0.230 20 0 CBADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCOC2(CNC2)C1 ZINC000669491259 544750569 /nfs/dbraw/zinc/75/05/69/544750569.db2.gz RXIUNHQLHXGDPN-ZDUSSCGKSA-N 1 3 294.399 -0.146 20 0 CBADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCOC2(CNC2)C1 ZINC000669491259 544750575 /nfs/dbraw/zinc/75/05/75/544750575.db2.gz RXIUNHQLHXGDPN-ZDUSSCGKSA-N 1 3 294.399 -0.146 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](CN)C1 ZINC000669512558 544751705 /nfs/dbraw/zinc/75/17/05/544751705.db2.gz AFKIIJIWRHTUBC-IJLUTSLNSA-N 1 3 254.378 -0.395 20 0 CBADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[NH+](C)C ZINC000665043425 419925091 /nfs/dbraw/zinc/92/50/91/419925091.db2.gz ICDDPDHJKJCWJM-DCAQKATOSA-N 1 3 258.366 -0.747 20 0 CBADHO C[C@H](C[C@H](C)N)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230651 419938720 /nfs/dbraw/zinc/93/87/20/419938720.db2.gz SVLRCSUDHZKNCO-VHSXEESVSA-N 1 3 251.396 -0.017 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NCCCN(C)S(C)(=O)=O ZINC000665230651 419938721 /nfs/dbraw/zinc/93/87/21/419938721.db2.gz SVLRCSUDHZKNCO-VHSXEESVSA-N 1 3 251.396 -0.017 20 0 CBADHO CCN1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359306550 419957130 /nfs/dbraw/zinc/95/71/30/419957130.db2.gz MMXWEXRUDFFRBD-BETUJISGSA-N 1 3 280.416 -0.262 20 0 CBADHO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000359299590 419957313 /nfs/dbraw/zinc/95/73/13/419957313.db2.gz GMGQQCLRNDUXJW-CHWSQXEVSA-N 1 3 292.427 -0.119 20 0 CBADHO CN1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000652323635 420057719 /nfs/dbraw/zinc/05/77/19/420057719.db2.gz MCYJDKUYFYLDIK-ZDUSSCGKSA-N 1 3 283.420 -0.340 20 0 CBADHO CN1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000652323634 420057762 /nfs/dbraw/zinc/05/77/62/420057762.db2.gz MCYJDKUYFYLDIK-CYBMUJFWSA-N 1 3 283.420 -0.340 20 0 CBADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400744 420061969 /nfs/dbraw/zinc/06/19/69/420061969.db2.gz AOMSNFBXCBEHHD-JTQLQIEISA-N 1 3 256.350 -0.013 20 0 CBADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)CC1 ZINC000365400744 420061973 /nfs/dbraw/zinc/06/19/73/420061973.db2.gz AOMSNFBXCBEHHD-JTQLQIEISA-N 1 3 256.350 -0.013 20 0 CBADHO COCC[NH2+]CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000652612226 420070403 /nfs/dbraw/zinc/07/04/03/420070403.db2.gz MCASHKCEMMYGBM-UHFFFAOYSA-N 1 3 298.391 -0.198 20 0 CBADHO C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CCCC1 ZINC000653347593 420142323 /nfs/dbraw/zinc/14/23/23/420142323.db2.gz HBQGAHWQCNVBPF-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC000653119803 420118451 /nfs/dbraw/zinc/11/84/51/420118451.db2.gz WWNLOMZPAOWVRQ-FMSGJZPZSA-N 1 3 267.373 -0.179 20 0 CBADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CCN(C2CC2)C1 ZINC000653117130 420118841 /nfs/dbraw/zinc/11/88/41/420118841.db2.gz AMXHAPOYZXQDAN-OLZOCXBDSA-N 1 3 268.405 -0.040 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653122035 420119110 /nfs/dbraw/zinc/11/91/10/420119110.db2.gz JLAJDPTWYOWANA-JSGCOSHPSA-N 1 3 285.388 -0.693 20 0 CBADHO CCC[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367994113 420119396 /nfs/dbraw/zinc/11/93/96/420119396.db2.gz PQTHXUJHJAQJCI-NEPJUHHUSA-N 1 3 254.378 -0.380 20 0 CBADHO C[C@H]1CCN(CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121983 420120452 /nfs/dbraw/zinc/12/04/52/420120452.db2.gz HYTOAUBXCLZZLJ-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CNC1 ZINC000653194429 420127787 /nfs/dbraw/zinc/12/77/87/420127787.db2.gz HXAIBLIFKKFWOQ-FZMZJTMJSA-N 1 3 267.373 -0.048 20 0 CBADHO C[C@H](O)CN[C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283257 420135098 /nfs/dbraw/zinc/13/50/98/420135098.db2.gz WQWYOMIOAFUJOJ-UWVGGRQHSA-N 1 3 257.334 -0.964 20 0 CBADHO CN(C)CCN1C(=O)C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000653285116 420138497 /nfs/dbraw/zinc/13/84/97/420138497.db2.gz DFNKTIYDEQQAKA-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN1C(=O)C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285116 420138501 /nfs/dbraw/zinc/13/85/01/420138501.db2.gz DFNKTIYDEQQAKA-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652709824 420074883 /nfs/dbraw/zinc/07/48/83/420074883.db2.gz ALURWXWEDFTNEC-UHFFFAOYSA-N 1 3 296.415 -0.214 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662539 420189537 /nfs/dbraw/zinc/18/95/37/420189537.db2.gz SKOAYQZNZUYYIR-BETUJISGSA-N 1 3 286.420 -0.060 20 0 CBADHO CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CN2CCC1CC2 ZINC000388927903 420205764 /nfs/dbraw/zinc/20/57/64/420205764.db2.gz XBDYAYDNNILXSV-ZDUSSCGKSA-N 1 3 266.389 -0.556 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396486004 420212746 /nfs/dbraw/zinc/21/27/46/420212746.db2.gz JTBVEAHRRJYBQG-FZMZJTMJSA-N 1 3 298.431 -0.068 20 0 CBADHO COCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368917386 420147114 /nfs/dbraw/zinc/14/71/14/420147114.db2.gz CORVPCQVYPRFOA-WDEREUQCSA-N 1 3 256.350 -0.390 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CCC(=O)NC1(C)C ZINC000653663790 420154709 /nfs/dbraw/zinc/15/47/09/420154709.db2.gz KAMLTAXHXFWGKZ-MNOVXSKESA-N 1 3 257.378 -0.054 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCC(=O)NC1(C)C ZINC000653663790 420154712 /nfs/dbraw/zinc/15/47/12/420154712.db2.gz KAMLTAXHXFWGKZ-MNOVXSKESA-N 1 3 257.378 -0.054 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN[C@H]1CCC(=O)NC1(C)C ZINC000653663791 420155273 /nfs/dbraw/zinc/15/52/73/420155273.db2.gz KAMLTAXHXFWGKZ-QWRGUYRKSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN[C@H]1CCC(=O)NC1(C)C ZINC000653663791 420155275 /nfs/dbraw/zinc/15/52/75/420155275.db2.gz KAMLTAXHXFWGKZ-QWRGUYRKSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460824 420181091 /nfs/dbraw/zinc/18/10/91/420181091.db2.gz AZHQMRXVKMASBD-ZOBORPQBSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460824 420181095 /nfs/dbraw/zinc/18/10/95/420181095.db2.gz AZHQMRXVKMASBD-ZOBORPQBSA-N 1 3 296.415 -0.071 20 0 CBADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400235306 420222847 /nfs/dbraw/zinc/22/28/47/420222847.db2.gz USDDLAYPBPXAIQ-GHMZBOCLSA-N 1 3 279.406 -0.636 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000655295027 420237905 /nfs/dbraw/zinc/23/79/05/420237905.db2.gz PCAVJSQCNWJJFY-XDQVBPFNSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000655295027 420237908 /nfs/dbraw/zinc/23/79/08/420237908.db2.gz PCAVJSQCNWJJFY-XDQVBPFNSA-N 1 3 281.400 -0.006 20 0 CBADHO CCC[NH2+]CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415213615 420241046 /nfs/dbraw/zinc/24/10/46/420241046.db2.gz LYXZKYVNPUGNBB-UHFFFAOYSA-N 1 3 282.392 0.566 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419107309 420242931 /nfs/dbraw/zinc/24/29/31/420242931.db2.gz PMJYXMAPYXKBRD-QWRGUYRKSA-N 1 3 282.388 -0.417 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000418948821 420243181 /nfs/dbraw/zinc/24/31/81/420243181.db2.gz QZXIMTWCWZIFRN-MNOVXSKESA-N 1 3 272.393 -0.456 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419408899 420245658 /nfs/dbraw/zinc/24/56/58/420245658.db2.gz MKVIFXNCBDHEDL-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419962051 420247954 /nfs/dbraw/zinc/24/79/54/420247954.db2.gz UUDCCMUJNYIGCF-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420028509 420248037 /nfs/dbraw/zinc/24/80/37/420248037.db2.gz HHHAIDAHGFLMAO-STQMWFEESA-N 1 3 296.415 -0.219 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000655449779 420250169 /nfs/dbraw/zinc/25/01/69/420250169.db2.gz OLJXQXDUBBBDIZ-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCN1CCC[C@H]1C(N)=O ZINC000422891014 420254512 /nfs/dbraw/zinc/25/45/12/420254512.db2.gz UJOJDUJXWUVCEB-AGIUHOORSA-N 1 3 268.405 -0.086 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422971381 420256162 /nfs/dbraw/zinc/25/61/62/420256162.db2.gz IOAYHBUHGHRFJQ-RYUDHWBXSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC[NH2+]C ZINC000423555208 420257027 /nfs/dbraw/zinc/25/70/27/420257027.db2.gz LXWQEXLMJMDWMW-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO COC1(C(=O)N[C@@H](CN)C(F)(F)F)CC[NH2+]CC1 ZINC000655505215 420258971 /nfs/dbraw/zinc/25/89/71/420258971.db2.gz SNOUSNPQOJZINH-ZETCQYMHSA-N 1 3 269.267 -0.239 20 0 CBADHO NC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514867 420262457 /nfs/dbraw/zinc/26/24/57/420262457.db2.gz FMIJKMNCFWNUQV-JGVFFNPUSA-N 1 3 296.293 -0.750 20 0 CBADHO CN(CCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000430609924 420272335 /nfs/dbraw/zinc/27/23/35/420272335.db2.gz JEFHCNDVMCGAEW-UHFFFAOYSA-N 1 3 255.362 -0.081 20 0 CBADHO C[N@H+](CCC(=O)N1CCOCC1)C1CCNCC1 ZINC000430609924 420272338 /nfs/dbraw/zinc/27/23/38/420272338.db2.gz JEFHCNDVMCGAEW-UHFFFAOYSA-N 1 3 255.362 -0.081 20 0 CBADHO C[N@@H+](CCC(=O)N1CCOCC1)C1CCNCC1 ZINC000430609924 420272342 /nfs/dbraw/zinc/27/23/42/420272342.db2.gz JEFHCNDVMCGAEW-UHFFFAOYSA-N 1 3 255.362 -0.081 20 0 CBADHO O=C(NCCC[NH2+]C1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655960854 420282745 /nfs/dbraw/zinc/28/27/45/420282745.db2.gz AJAHMIMVGZFERY-QWHCGFSZSA-N 1 3 282.388 -0.411 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963901 420283018 /nfs/dbraw/zinc/28/30/18/420283018.db2.gz UDTDIVGNWSNRKB-RWMBFGLXSA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655968911 420284240 /nfs/dbraw/zinc/28/42/40/420284240.db2.gz AWRCOBSCEDGSDN-QNWHQSFQSA-N 1 3 282.388 -0.426 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967022 420284579 /nfs/dbraw/zinc/28/45/79/420284579.db2.gz KRMQVCHBISJGBI-FVCCEPFGSA-N 1 3 282.388 -0.413 20 0 CBADHO COCCNCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655964643 420285834 /nfs/dbraw/zinc/28/58/34/420285834.db2.gz AYKJDNBVDNEUFE-TXEJJXNPSA-N 1 3 272.393 -0.138 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@@H]1CNCCO1)C2=O ZINC000656611518 420318312 /nfs/dbraw/zinc/31/83/12/420318312.db2.gz KHIXRLJPIVZXCW-COPLHBTASA-N 1 3 296.371 -0.586 20 0 CBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516766131 420363231 /nfs/dbraw/zinc/36/32/31/420363231.db2.gz DBWREUBDAAQTPM-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516766125 420364222 /nfs/dbraw/zinc/36/42/22/420364222.db2.gz DBWREUBDAAQTPM-AGIUHOORSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656023667 420293393 /nfs/dbraw/zinc/29/33/93/420293393.db2.gz COSKDWWFTXFBNM-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656023666 420293474 /nfs/dbraw/zinc/29/34/74/420293474.db2.gz COSKDWWFTXFBNM-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022664 420293532 /nfs/dbraw/zinc/29/35/32/420293532.db2.gz JEXRCVIYZZYBIS-NWDGAFQWSA-N 1 3 280.372 -0.793 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022666 420293639 /nfs/dbraw/zinc/29/36/39/420293639.db2.gz JEXRCVIYZZYBIS-VXGBXAGGSA-N 1 3 280.372 -0.793 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656023663 420294119 /nfs/dbraw/zinc/29/41/19/420294119.db2.gz COSKDWWFTXFBNM-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccn(CCN(C)C)n1 ZINC000447436609 420294674 /nfs/dbraw/zinc/29/46/74/420294674.db2.gz ALZWCQICEQMPJV-SNVBAGLBSA-N 1 3 269.349 -0.253 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000658099928 420368997 /nfs/dbraw/zinc/36/89/97/420368997.db2.gz NUBBPANEMLROQZ-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000517570248 420378111 /nfs/dbraw/zinc/37/81/11/420378111.db2.gz VMDXBBXMSPFEOF-NHCYSSNCSA-N 1 3 270.377 -0.800 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000518769233 420381051 /nfs/dbraw/zinc/38/10/51/420381051.db2.gz ICAKWXVZKFPZAK-VIFPVBQESA-N 1 3 257.334 -0.523 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603144 420384169 /nfs/dbraw/zinc/38/41/69/420384169.db2.gz ZUDDIKDQNNKWOU-IUODEOHRSA-N 1 3 298.431 -0.460 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CSCCN1 ZINC000519697651 420386789 /nfs/dbraw/zinc/38/67/89/420386789.db2.gz RPEFTOVFOUMFQN-GHMZBOCLSA-N 1 3 272.418 -0.899 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000420107315 287626866 /nfs/dbraw/zinc/62/68/66/287626866.db2.gz ATWBCHGWDMYOHM-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO N[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[C@H]1F ZINC000659388977 420418319 /nfs/dbraw/zinc/41/83/19/420418319.db2.gz OIXICLCGEQILCA-HBNTYKKESA-N 1 3 259.325 -0.347 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCCN(C)CCCOC ZINC000659458991 420421575 /nfs/dbraw/zinc/42/15/75/420421575.db2.gz BLMVWPURVJCIEO-NSHDSACASA-N 1 3 260.382 -0.138 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659356934 420414323 /nfs/dbraw/zinc/41/43/23/420414323.db2.gz AKYUHBWRUOQOCI-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659356950 420414802 /nfs/dbraw/zinc/41/48/02/420414802.db2.gz ASQICFIKMVMMHP-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[NH2+]C1CC1 ZINC000659511387 420425321 /nfs/dbraw/zinc/42/53/21/420425321.db2.gz WMJZJJCAPSKZOL-UHFFFAOYSA-N 1 3 299.419 -0.600 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659514917 420426536 /nfs/dbraw/zinc/42/65/36/420426536.db2.gz AAUYKNDWZKKKFI-VIFPVBQESA-N 1 3 282.348 -0.577 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659514957 420427097 /nfs/dbraw/zinc/42/70/97/420427097.db2.gz GPQWVEZHHSXZKU-QWHCGFSZSA-N 1 3 282.388 -0.099 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000659537948 420431129 /nfs/dbraw/zinc/43/11/29/420431129.db2.gz MYVKVUTYBFEQGQ-BDAKNGLRSA-N 1 3 294.359 -0.290 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000659556327 420433324 /nfs/dbraw/zinc/43/33/24/420433324.db2.gz WOJSVUMBNVAIIR-JTQLQIEISA-N 1 3 256.350 -0.455 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000659750300 420467401 /nfs/dbraw/zinc/46/74/01/420467401.db2.gz BJTXVGBPNNJOND-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C)CCn1ccc(NC(=O)CC[NH2+]C2CC2)n1 ZINC000578883092 420467814 /nfs/dbraw/zinc/46/78/14/420467814.db2.gz RRUGGSPAQJGPRP-UHFFFAOYSA-N 1 3 265.361 0.525 20 0 CBADHO CN(C)CCNC(=O)/C=C/C=C/C(=O)NCC[NH+](C)C ZINC000492316888 230332300 /nfs/dbraw/zinc/33/23/00/230332300.db2.gz CRNCNPCTJBCKOM-KQQUZDAGSA-N 1 3 282.388 -0.546 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000659623037 420438451 /nfs/dbraw/zinc/43/84/51/420438451.db2.gz ZWXHOPCSYKRXFE-DGCLKSJQSA-N 1 3 274.409 -0.028 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000659619629 420438865 /nfs/dbraw/zinc/43/88/65/420438865.db2.gz QDHWXUGJJFEQOP-VXGBXAGGSA-N 1 3 271.409 -0.356 20 0 CBADHO CN1CCC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000682615069 545059085 /nfs/dbraw/zinc/05/90/85/545059085.db2.gz YNZQTRRPAROCHG-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000659642073 420442684 /nfs/dbraw/zinc/44/26/84/420442684.db2.gz JCANQHDGGBWKRW-RYUDHWBXSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000566194220 420444001 /nfs/dbraw/zinc/44/40/01/420444001.db2.gz WQIXYVGFTPKCDF-QWRGUYRKSA-N 1 3 265.361 0.381 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659680795 420447853 /nfs/dbraw/zinc/44/78/53/420447853.db2.gz LGUSZYKCAFWJGZ-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000659681261 420447894 /nfs/dbraw/zinc/44/78/94/420447894.db2.gz SCRZXPOPZZNZOZ-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000659684210 420448327 /nfs/dbraw/zinc/44/83/27/420448327.db2.gz CAIOUYVKELBBMC-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCN(C)C1CC1 ZINC000659685243 420448733 /nfs/dbraw/zinc/44/87/33/420448733.db2.gz PMOPDCAOTWIHBN-UHFFFAOYSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000659688923 420449582 /nfs/dbraw/zinc/44/95/82/420449582.db2.gz OJKWJEYCIVFPNO-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C)CCn1ccc(NC(=O)CC2(C[NH3+])CC2)n1 ZINC000569101236 420450457 /nfs/dbraw/zinc/45/04/57/420450457.db2.gz CUBKYSVPRYXGRW-UHFFFAOYSA-N 1 3 265.361 0.512 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000659701823 420451703 /nfs/dbraw/zinc/45/17/03/420451703.db2.gz JUPGWOXHVVEIAE-WDEREUQCSA-N 1 3 282.388 -0.523 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N(C)C1CC1 ZINC000659701929 420452570 /nfs/dbraw/zinc/45/25/70/420452570.db2.gz KIKPGYBZHCNGJZ-LLVKDONJSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N(C)C1CC1 ZINC000659702889 420452898 /nfs/dbraw/zinc/45/28/98/420452898.db2.gz SJCJIFGXHTZGHO-RWWNRMGGSA-N 1 3 294.399 -0.465 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659706300 420453127 /nfs/dbraw/zinc/45/31/27/420453127.db2.gz KTVAYGDSRDYJDM-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000659708223 420453679 /nfs/dbraw/zinc/45/36/79/420453679.db2.gz PYDWPSJYBLWANE-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000659708221 420454238 /nfs/dbraw/zinc/45/42/38/420454238.db2.gz PYDWPSJYBLWANE-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO Cc1cc(NC(=O)CC[NH2+]C[C@H](O)CN2CCCC2)no1 ZINC000572038837 420456394 /nfs/dbraw/zinc/45/63/94/420456394.db2.gz KEOJEPLYCMZJNM-LBPRGKRZSA-N 1 3 296.371 0.358 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659715015 420456993 /nfs/dbraw/zinc/45/69/93/420456993.db2.gz ZVIXWMZTNCEZNZ-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659718360 420457724 /nfs/dbraw/zinc/45/77/24/420457724.db2.gz PRVREBXYMASPTD-VXGBXAGGSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000659718024 420457932 /nfs/dbraw/zinc/45/79/32/420457932.db2.gz LKECKIRAJIJQLN-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659716262 420458115 /nfs/dbraw/zinc/45/81/15/420458115.db2.gz VVHACMRSBFGWAL-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659725436 420459896 /nfs/dbraw/zinc/45/98/96/420459896.db2.gz XAPMPGKYEQSSHE-LLVKDONJSA-N 1 3 296.415 -0.027 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659726289 420460261 /nfs/dbraw/zinc/46/02/61/420460261.db2.gz IXKCTUYCXQEEAO-YNEHKIRRSA-N 1 3 294.399 -0.402 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659726259 420460476 /nfs/dbraw/zinc/46/04/76/420460476.db2.gz IQABSBFBGSKMLD-XQQFMLRXSA-N 1 3 296.415 -0.156 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659736392 420462963 /nfs/dbraw/zinc/46/29/63/420462963.db2.gz ZYMNWJADZCKYMJ-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659736394 420463154 /nfs/dbraw/zinc/46/31/54/420463154.db2.gz ZYMNWJADZCKYMJ-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000659738862 420463776 /nfs/dbraw/zinc/46/37/76/420463776.db2.gz JGSBJANWGPKUDG-SWLSCSKDSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659739382 420464164 /nfs/dbraw/zinc/46/41/64/420464164.db2.gz SGCJDVWXSQFTCS-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743236 420464466 /nfs/dbraw/zinc/46/44/66/420464466.db2.gz YNJLIFGVDZTQLZ-UHFFFAOYSA-N 1 3 294.399 -0.591 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659739381 420464483 /nfs/dbraw/zinc/46/44/83/420464483.db2.gz SGCJDVWXSQFTCS-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000659739300 420465331 /nfs/dbraw/zinc/46/53/31/420465331.db2.gz QLBPHKAIAZTFRO-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659749016 420465779 /nfs/dbraw/zinc/46/57/79/420465779.db2.gz DIPBMIPXMAWUCD-XQQFMLRXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN(C)C ZINC000659747519 420466108 /nfs/dbraw/zinc/46/61/08/420466108.db2.gz ZKGCAVVELJJJFW-LLVKDONJSA-N 1 3 272.393 -0.504 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750077 420467111 /nfs/dbraw/zinc/46/71/11/420467111.db2.gz MKLRGLRVHNAHRO-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000591450825 420479716 /nfs/dbraw/zinc/47/97/16/420479716.db2.gz UPFQPINBSGJZIB-NSHDSACASA-N 1 3 265.361 0.335 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000591450825 420479720 /nfs/dbraw/zinc/47/97/20/420479720.db2.gz UPFQPINBSGJZIB-NSHDSACASA-N 1 3 265.361 0.335 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000517938222 260321678 /nfs/dbraw/zinc/32/16/78/260321678.db2.gz BMSFDHCRJCHSKW-QWRGUYRKSA-N 1 3 269.345 -0.380 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000517373249 269598068 /nfs/dbraw/zinc/59/80/68/269598068.db2.gz QCGUHYMMZKWKJJ-VWYCJHECSA-N 1 3 271.361 -0.099 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514616223 287715947 /nfs/dbraw/zinc/71/59/47/287715947.db2.gz MTLVFVOKNUCJID-ZDCRXTMVSA-N 1 3 268.361 -0.870 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CCO1 ZINC000376622879 276751001 /nfs/dbraw/zinc/75/10/01/276751001.db2.gz XYQUNMPVGFPZSE-FYJFLYSWSA-N 1 3 255.362 -0.107 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419701258 277024142 /nfs/dbraw/zinc/02/41/42/277024142.db2.gz ZABLFLLYBJYWFJ-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418362985 277282012 /nfs/dbraw/zinc/28/20/12/277282012.db2.gz BQBSKUGAAORVBK-STQMWFEESA-N 1 3 286.420 -0.012 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419432159 277300625 /nfs/dbraw/zinc/30/06/25/277300625.db2.gz XVSRSKATOVQIOP-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000419411509 277300651 /nfs/dbraw/zinc/30/06/51/277300651.db2.gz PWQFNLNLEIKKGS-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CCCN(CCC(=O)N2CCNCC2)[C@H]1C[NH3+] ZINC000262103818 278341606 /nfs/dbraw/zinc/34/16/06/278341606.db2.gz MERKJTWECDXILX-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)[C@H]1CN ZINC000262103818 278341609 /nfs/dbraw/zinc/34/16/09/278341609.db2.gz MERKJTWECDXILX-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)[C@H]1CN ZINC000262103818 278341612 /nfs/dbraw/zinc/34/16/12/278341612.db2.gz MERKJTWECDXILX-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217721329 279130654 /nfs/dbraw/zinc/13/06/54/279130654.db2.gz VHMRMAVFDGKQLB-UTUOFQBUSA-N 1 3 257.378 -0.198 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343616053 279176054 /nfs/dbraw/zinc/17/60/54/279176054.db2.gz KAOAVXFIXFXDME-OLZOCXBDSA-N 1 3 268.405 -0.134 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1CC1 ZINC000419529390 279191259 /nfs/dbraw/zinc/19/12/59/279191259.db2.gz XNARMHLGNZRBQG-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419586306 279268351 /nfs/dbraw/zinc/26/83/51/279268351.db2.gz MTCCJHYHFBRRMK-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351522900 279297203 /nfs/dbraw/zinc/29/72/03/279297203.db2.gz MMIPCGXYWPYNTL-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423438370 279357748 /nfs/dbraw/zinc/35/77/48/279357748.db2.gz UYCJGPTUWSFYAS-ZDUSSCGKSA-N 1 3 282.432 -0.014 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420111905 279428863 /nfs/dbraw/zinc/42/88/63/279428863.db2.gz CZXSLEMTHOKTSB-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420124932 279429306 /nfs/dbraw/zinc/42/93/06/279429306.db2.gz SIWKCZYDTUFKTK-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418758769 279429975 /nfs/dbraw/zinc/42/99/75/279429975.db2.gz IRRRSTQQBGKXFQ-ZDUSSCGKSA-N 1 3 285.436 -0.128 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000132010199 280147833 /nfs/dbraw/zinc/14/78/33/280147833.db2.gz QGALBYQVCLRGAK-QWHCGFSZSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H](C)[NH3+])N1CCN(C)CC1 ZINC000040770462 280251139 /nfs/dbraw/zinc/25/11/39/280251139.db2.gz GKNDJSKGRRQDLR-RYUDHWBXSA-N 1 3 256.394 -0.278 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000262210384 280273827 /nfs/dbraw/zinc/27/38/27/280273827.db2.gz SYWDEELWKYJZMW-WZRBSPASSA-N 1 3 284.404 -0.328 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000126410226 280273868 /nfs/dbraw/zinc/27/38/68/280273868.db2.gz NRVRLNFGLPHSTO-YPMHNXCESA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332234096 288300266 /nfs/dbraw/zinc/30/02/66/288300266.db2.gz NAOXMLQFHYXYFQ-IJLUTSLNSA-N 1 3 280.372 -0.759 20 0 CBADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333830324 289036975 /nfs/dbraw/zinc/03/69/75/289036975.db2.gz MLSIMJOHJKOLAE-JHJVBQTASA-N 1 3 284.404 -0.165 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCC2)CCC1 ZINC000419244620 289043179 /nfs/dbraw/zinc/04/31/79/289043179.db2.gz UQJRZWYLUJBCGR-UHFFFAOYSA-N 1 3 282.388 -0.416 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000419242828 289043593 /nfs/dbraw/zinc/04/35/93/289043593.db2.gz RQXBNLBUNASTJD-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCCN1C ZINC000418003872 289055206 /nfs/dbraw/zinc/05/52/06/289055206.db2.gz NLZLGGOJOBLHDO-CHWSQXEVSA-N 1 3 283.420 -0.327 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420089926 289126979 /nfs/dbraw/zinc/12/69/79/289126979.db2.gz SSXLMJXZPKJEEQ-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444257109 289157316 /nfs/dbraw/zinc/15/73/16/289157316.db2.gz BNEAXVJKQFBUMF-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419895603 289290499 /nfs/dbraw/zinc/29/04/99/289290499.db2.gz MPHBQKXFKPPXJH-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418665857 289293016 /nfs/dbraw/zinc/29/30/16/289293016.db2.gz DAOCPRQVYXSAPN-WYUUTHIRSA-N 1 3 252.362 -0.060 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419136750 289304187 /nfs/dbraw/zinc/30/41/87/289304187.db2.gz OAQVQAZRJZXJQB-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351561542 289369354 /nfs/dbraw/zinc/36/93/54/289369354.db2.gz YYHOWTPRTBOOPE-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419945094 289530770 /nfs/dbraw/zinc/53/07/70/289530770.db2.gz BZSJHJUEVXJNMT-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420028342 289544187 /nfs/dbraw/zinc/54/41/87/289544187.db2.gz MGHZUXLWPIBHNR-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](O)C(=O)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705403 290066127 /nfs/dbraw/zinc/06/61/27/290066127.db2.gz LOOHFWGXKNZPSL-AGIUHOORSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2COC[C@@H]2O)CC1 ZINC000361293836 290084847 /nfs/dbraw/zinc/08/48/47/290084847.db2.gz AQLJPSWFSMFTMK-YUTCNCBUSA-N 1 3 272.389 -0.229 20 0 CBADHO CN1CC[C@@]2(CC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707172 290187397 /nfs/dbraw/zinc/18/73/97/290187397.db2.gz LRWOZKDWOWYLBU-LLVKDONJSA-N 1 3 261.391 -0.307 20 0 CBADHO CN1CC[C@@]2(CC[N@@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707172 290187399 /nfs/dbraw/zinc/18/73/99/290187399.db2.gz LRWOZKDWOWYLBU-LLVKDONJSA-N 1 3 261.391 -0.307 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(N)CCCC2)C1 ZINC000430895091 295107799 /nfs/dbraw/zinc/10/77/99/295107799.db2.gz RZNLDJIHJPAKLN-GFCCVEGCSA-N 1 3 296.415 -0.039 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(N)CCCC2)C1 ZINC000430895091 295107801 /nfs/dbraw/zinc/10/78/01/295107801.db2.gz RZNLDJIHJPAKLN-GFCCVEGCSA-N 1 3 296.415 -0.039 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331682988 295252155 /nfs/dbraw/zinc/25/21/55/295252155.db2.gz UJIWPUCHGMWWNV-RWMBFGLXSA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331682988 295252156 /nfs/dbraw/zinc/25/21/56/295252156.db2.gz UJIWPUCHGMWWNV-RWMBFGLXSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CN1C1CC1 ZINC000333294651 297274955 /nfs/dbraw/zinc/27/49/55/297274955.db2.gz IDSAWHMVLODELS-NQBHXWOUSA-N 1 3 282.388 -0.019 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388240 300224031 /nfs/dbraw/zinc/22/40/31/300224031.db2.gz FVBXYCUYRCTSFR-UONOGXRCSA-N 1 3 282.432 -0.110 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388240 300224033 /nfs/dbraw/zinc/22/40/33/300224033.db2.gz FVBXYCUYRCTSFR-UONOGXRCSA-N 1 3 282.432 -0.110 20 0 CBADHO NC1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000368559982 303354262 /nfs/dbraw/zinc/35/42/62/303354262.db2.gz AMGWPCWIIPYLLD-GFCCVEGCSA-N 1 3 266.389 -0.236 20 0 CBADHO [NH3+]CCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418310235 303378933 /nfs/dbraw/zinc/37/89/33/303378933.db2.gz JMTNVQAOODIUOS-UHFFFAOYSA-N 1 3 299.419 -0.373 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419841924 303381674 /nfs/dbraw/zinc/38/16/74/303381674.db2.gz VCGUIAHSHNLMPF-GFCCVEGCSA-N 1 3 282.388 -0.462 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1=O ZINC000570805009 327620537 /nfs/dbraw/zinc/62/05/37/327620537.db2.gz JAIHXVRPLLHYPI-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000563116867 327926099 /nfs/dbraw/zinc/92/60/99/327926099.db2.gz OCGSPMKKASSAMZ-WOPDTQHZSA-N 1 3 255.362 -0.192 20 0 CBADHO CN1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000571041245 327980427 /nfs/dbraw/zinc/98/04/27/327980427.db2.gz CNRWQRPWISDZLX-GFCCVEGCSA-N 1 3 292.387 -0.146 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CCN2C1=O ZINC000563451718 328066310 /nfs/dbraw/zinc/06/63/10/328066310.db2.gz MJTUVLCYPWNMCO-NOOOWODRSA-N 1 3 295.387 -0.933 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441539 328066380 /nfs/dbraw/zinc/06/63/80/328066380.db2.gz MBYBDMFSBXQIAE-VXGBXAGGSA-N 1 3 292.383 -0.569 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563455789 328067732 /nfs/dbraw/zinc/06/77/32/328067732.db2.gz PWJTYKYTJYMLHL-NSHDSACASA-N 1 3 258.366 -0.432 20 0 CBADHO CC1=CCN(CCNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000563584134 328074758 /nfs/dbraw/zinc/07/47/58/328074758.db2.gz KMQFOYAZZMRZEQ-CYBMUJFWSA-N 1 3 282.388 -0.074 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000563597505 328076105 /nfs/dbraw/zinc/07/61/05/328076105.db2.gz XSKWOPKYIXYZCX-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000563597505 328076107 /nfs/dbraw/zinc/07/61/07/328076107.db2.gz XSKWOPKYIXYZCX-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CNC1 ZINC000563639900 328079645 /nfs/dbraw/zinc/07/96/45/328079645.db2.gz LFOMYGDLSMCVNX-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CNC1 ZINC000563639900 328079647 /nfs/dbraw/zinc/07/96/47/328079647.db2.gz LFOMYGDLSMCVNX-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)COC2CNC2)CC1 ZINC000571164676 328089890 /nfs/dbraw/zinc/08/98/90/328089890.db2.gz VDJQRNYSRZRGHN-ZFWWWQNUSA-N 1 3 297.399 -0.280 20 0 CBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000571325270 328105919 /nfs/dbraw/zinc/10/59/19/328105919.db2.gz PCRCDFVKUKXRDV-KGLIPLIRSA-N 1 3 299.415 -0.116 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000571315314 328104338 /nfs/dbraw/zinc/10/43/38/328104338.db2.gz FLLQNYNIMCMKAO-PMPSAXMXSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000571315314 328104339 /nfs/dbraw/zinc/10/43/39/328104339.db2.gz FLLQNYNIMCMKAO-PMPSAXMXSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000571315314 328104340 /nfs/dbraw/zinc/10/43/40/328104340.db2.gz FLLQNYNIMCMKAO-PMPSAXMXSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000571315311 328104399 /nfs/dbraw/zinc/10/43/99/328104399.db2.gz FLLQNYNIMCMKAO-OAGGEKHMSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000571315311 328104400 /nfs/dbraw/zinc/10/44/00/328104400.db2.gz FLLQNYNIMCMKAO-OAGGEKHMSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000571315311 328104401 /nfs/dbraw/zinc/10/44/01/328104401.db2.gz FLLQNYNIMCMKAO-OAGGEKHMSA-N 1 3 296.459 -0.189 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000571423369 328120864 /nfs/dbraw/zinc/12/08/64/328120864.db2.gz QFPOLLRBLZFSRG-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CNCCO1)[NH+]1CCCC1 ZINC000161095328 328129396 /nfs/dbraw/zinc/12/93/96/328129396.db2.gz DJWGYCOGJSOVGO-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000582486212 329096631 /nfs/dbraw/zinc/09/66/31/329096631.db2.gz HSGHXSKKBOQHCO-BETUJISGSA-N 1 3 266.389 -0.698 20 0 CBADHO CNCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582545803 329105265 /nfs/dbraw/zinc/10/52/65/329105265.db2.gz IMUCFHJUMSKTMN-DGCLKSJQSA-N 1 3 255.362 -0.049 20 0 CBADHO C[NH2+]CCC(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000583991967 326832228 /nfs/dbraw/zinc/83/22/28/326832228.db2.gz ISGJPPQJAREBMR-UHFFFAOYSA-N 1 3 285.388 -0.013 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCC[C@H](C)C1 ZINC000557297413 327000854 /nfs/dbraw/zinc/00/08/54/327000854.db2.gz JYDPISBQVKBBOT-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000557310416 327001356 /nfs/dbraw/zinc/00/13/56/327001356.db2.gz DFGHRGAOWWRLDJ-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1 ZINC000584181226 327061105 /nfs/dbraw/zinc/06/11/05/327061105.db2.gz RYPLNNOLDXLIME-STQMWFEESA-N 1 3 287.404 -0.664 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1 ZINC000584181226 327061106 /nfs/dbraw/zinc/06/11/06/327061106.db2.gz RYPLNNOLDXLIME-STQMWFEESA-N 1 3 287.404 -0.664 20 0 CBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC1CNC1)C(C)(C)C ZINC000569558997 327197596 /nfs/dbraw/zinc/19/75/96/327197596.db2.gz AVGGZLNMXMSVSJ-NSHDSACASA-N 1 3 284.404 -0.443 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000584294253 327224597 /nfs/dbraw/zinc/22/45/97/327224597.db2.gz KSOHRYQZUQZQMX-MGPQQGTHSA-N 1 3 298.431 -0.637 20 0 CBADHO C[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)CC[NH2+]1 ZINC000566230350 327248618 /nfs/dbraw/zinc/24/86/18/327248618.db2.gz HKUHWRCKJCNLGX-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO CCn1nncc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000559581192 327254356 /nfs/dbraw/zinc/25/43/56/327254356.db2.gz FJAVSUOFRGICJN-UHFFFAOYSA-N 1 3 282.392 -0.137 20 0 CBADHO O=C(CCN1CC[C@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000566242154 327256264 /nfs/dbraw/zinc/25/62/64/327256264.db2.gz GHENHMDMCOJWTH-OAHLLOKOSA-N 1 3 280.416 -0.116 20 0 CBADHO CNS(=O)(=O)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000564976018 327302969 /nfs/dbraw/zinc/30/29/69/327302969.db2.gz PDFUOIWWQMJIMN-LLVKDONJSA-N 1 3 261.391 -0.391 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000564991412 327343223 /nfs/dbraw/zinc/34/32/23/327343223.db2.gz TYAKHIBADQISDY-WZRBSPASSA-N 1 3 284.404 -0.328 20 0 CBADHO C[C@@]1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC[NH2+]C1 ZINC000574636202 327358882 /nfs/dbraw/zinc/35/88/82/327358882.db2.gz LMHOHHWBOJDPEA-GFCCVEGCSA-N 1 3 279.348 -0.848 20 0 CBADHO CC(C)(N)c1nocc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000565215844 327525966 /nfs/dbraw/zinc/52/59/66/327525966.db2.gz DEHQHCBIEIUEBC-UHFFFAOYSA-N 1 3 295.387 -0.107 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000569692466 327535968 /nfs/dbraw/zinc/53/59/68/327535968.db2.gz BBPGPGIYTGDHLN-MNOVXSKESA-N 1 3 255.362 -0.131 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569912955 327555551 /nfs/dbraw/zinc/55/55/51/327555551.db2.gz HWVRRXLCJCXACZ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000570515141 327596602 /nfs/dbraw/zinc/59/66/02/327596602.db2.gz HHVZQHQUUKRQKZ-WDEREUQCSA-N 1 3 271.361 -0.181 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC000582419470 328985430 /nfs/dbraw/zinc/98/54/30/328985430.db2.gz LGMNBWYYFZHNHJ-UHFFFAOYSA-N 1 3 274.368 -0.075 20 0 CBADHO CN[C@@H](C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000583703242 329086074 /nfs/dbraw/zinc/08/60/74/329086074.db2.gz QYTYVFQPSPATND-NSHDSACASA-N 1 3 256.394 -0.264 20 0 CBADHO C[C@@H]1CCCN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000582840380 329276768 /nfs/dbraw/zinc/27/67/68/329276768.db2.gz ULDXTQNXLGCBPP-CVEARBPZSA-N 1 3 298.475 -0.084 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000582894794 329282233 /nfs/dbraw/zinc/28/22/33/329282233.db2.gz POCXMSLSSWLTAH-QWRGUYRKSA-N 1 3 255.366 -0.977 20 0 CBADHO C[C@@H](CNC(=O)C1([NH3+])CCC1)CN1CCN(C)CC1 ZINC000582961713 329290318 /nfs/dbraw/zinc/29/03/18/329290318.db2.gz AGLUHZFKJJGPMW-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000583198177 329360177 /nfs/dbraw/zinc/36/01/77/329360177.db2.gz NKOQZNIXUSDPET-YNEHKIRRSA-N 1 3 294.399 -0.641 20 0 CBADHO CN(CCC(=O)N1CCNCC1)[C@@H](C[NH3+])C1CC1 ZINC000583204467 329363659 /nfs/dbraw/zinc/36/36/59/329363659.db2.gz WFDYIYCUOYPZPU-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)[C@@H](CN)C1CC1 ZINC000583204467 329363660 /nfs/dbraw/zinc/36/36/60/329363660.db2.gz WFDYIYCUOYPZPU-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)[C@@H](CN)C1CC1 ZINC000583204467 329363662 /nfs/dbraw/zinc/36/36/62/329363662.db2.gz WFDYIYCUOYPZPU-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000583753157 329473602 /nfs/dbraw/zinc/47/36/02/329473602.db2.gz PRWXJBOFPDNMOB-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)(C[NH3+])C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000572035914 329939273 /nfs/dbraw/zinc/93/92/73/329939273.db2.gz XYEKDRUTOVOVRX-UHFFFAOYSA-N 1 3 267.337 -0.862 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CCN2C1=O ZINC000575762803 335113210 /nfs/dbraw/zinc/11/32/10/335113210.db2.gz GWSRDKQZPUQWNY-FDYHWXHSSA-N 1 3 294.399 -0.336 20 0 CBADHO CN(C)CCNC(=O)CSCC(=O)NCC[NH+](C)C ZINC000192460696 335124312 /nfs/dbraw/zinc/12/43/12/335124312.db2.gz ADMUMMFHMAXMQO-UHFFFAOYSA-N 1 3 290.433 -0.925 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572527801 333185455 /nfs/dbraw/zinc/18/54/55/333185455.db2.gz NFYDWSQUEUSBLF-HIFRSBDPSA-N 1 3 280.416 -0.118 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000575974429 335136805 /nfs/dbraw/zinc/13/68/05/335136805.db2.gz FAQFLWVYZJXZDD-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@@H](CO)CN1CCCCC1)C1CC1 ZINC000575988185 335138830 /nfs/dbraw/zinc/13/88/30/335138830.db2.gz AIPGDFRWJDEULA-HIFRSBDPSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@@H](CO)CN1CCCCC1)C1CC1 ZINC000575988185 335138832 /nfs/dbraw/zinc/13/88/32/335138832.db2.gz AIPGDFRWJDEULA-HIFRSBDPSA-N 1 3 285.432 -0.122 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000576015750 335141895 /nfs/dbraw/zinc/14/18/95/335141895.db2.gz ZVXFXHTYCRCONL-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576092317 335152205 /nfs/dbraw/zinc/15/22/05/335152205.db2.gz HLMXRUPAASQVGR-UTUOFQBUSA-N 1 3 254.378 -0.606 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000576160437 335162542 /nfs/dbraw/zinc/16/25/42/335162542.db2.gz HFMXKYIUGBRPIK-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000567573506 334359868 /nfs/dbraw/zinc/35/98/68/334359868.db2.gz ILHJUACESYKJNS-JQWIXIFHSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000567573506 334359869 /nfs/dbraw/zinc/35/98/69/334359869.db2.gz ILHJUACESYKJNS-JQWIXIFHSA-N 1 3 280.372 -0.983 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565040359 334535681 /nfs/dbraw/zinc/53/56/81/334535681.db2.gz RFUZRXMHWDNJIN-RWMBFGLXSA-N 1 3 268.405 -0.134 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000565364870 334556511 /nfs/dbraw/zinc/55/65/11/334556511.db2.gz OJXQPKUYLUAQHM-FYLLDIAZSA-N 1 3 271.361 -0.230 20 0 CBADHO CC1(C)CN(C(=O)c2cn(CCC[NH3+])nn2)CCN1 ZINC000565539356 334572278 /nfs/dbraw/zinc/57/22/78/334572278.db2.gz VPUFZOPFUDLQJA-UHFFFAOYSA-N 1 3 266.349 -0.549 20 0 CBADHO CC1CCN(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000566200533 334635549 /nfs/dbraw/zinc/63/55/49/334635549.db2.gz YXUQLIRNPCGAOB-ZDUSSCGKSA-N 1 3 268.405 -0.180 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000566210934 334635884 /nfs/dbraw/zinc/63/58/84/334635884.db2.gz ABVVMJSZDPVVLJ-NTZNESFSSA-N 1 3 253.346 -0.519 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158920024 334816486 /nfs/dbraw/zinc/81/64/86/334816486.db2.gz ZJTVMXBSPSLQSI-JSGCOSHPSA-N 1 3 267.373 -0.033 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000568511998 334827944 /nfs/dbraw/zinc/82/79/44/334827944.db2.gz FVWICBWSWJWUHU-OUAUKWLOSA-N 1 3 271.361 -0.005 20 0 CBADHO O=C(CC[C@@H]1CC[NH2+]C1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000572876573 334886940 /nfs/dbraw/zinc/88/69/40/334886940.db2.gz NCRJXBZOPRHYKH-SNVBAGLBSA-N 1 3 293.375 -0.458 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573204209 334917214 /nfs/dbraw/zinc/91/72/14/334917214.db2.gz OINHDHZGMSOPBW-CMPLNLGQSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000576463545 335206871 /nfs/dbraw/zinc/20/68/71/335206871.db2.gz OSSMPHUHONFYST-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000576574363 335220228 /nfs/dbraw/zinc/22/02/28/335220228.db2.gz CMNPOKWMINEIMY-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000576574363 335220229 /nfs/dbraw/zinc/22/02/29/335220229.db2.gz CMNPOKWMINEIMY-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000580565456 335287412 /nfs/dbraw/zinc/28/74/12/335287412.db2.gz NBSIIEZSFYHUFK-YPMHNXCESA-N 1 3 282.388 -0.561 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+](C)C ZINC000577232145 335327861 /nfs/dbraw/zinc/32/78/61/335327861.db2.gz XBTOBGWYDVHWFG-GRYCIOLGSA-N 1 3 282.388 -0.657 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C)C[C@@H]1CN ZINC000577489230 335355111 /nfs/dbraw/zinc/35/51/11/335355111.db2.gz QVTAEKNCQORZAS-AXFHLTTASA-N 1 3 257.382 -0.604 20 0 CBADHO CN(C[C@H](O)C[NH2+]CCCN1CCC(O)CC1)C1CC1 ZINC000577493175 335359003 /nfs/dbraw/zinc/35/90/03/335359003.db2.gz WIZXFAHCGPLDQX-OAHLLOKOSA-N 1 3 285.432 -0.122 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000577725975 335392714 /nfs/dbraw/zinc/39/27/14/335392714.db2.gz GUBJSLCMDJGHFT-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000577751526 335397588 /nfs/dbraw/zinc/39/75/88/335397588.db2.gz JIZWKRPQLUUPGZ-QJPTWQEYSA-N 1 3 284.404 -0.219 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000578069537 335477887 /nfs/dbraw/zinc/47/78/87/335477887.db2.gz IBUXUORHQWSAST-QJPTWQEYSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578454286 335637320 /nfs/dbraw/zinc/63/73/20/335637320.db2.gz VSYARZLHBSRSSU-WOPDTQHZSA-N 1 3 297.403 -0.543 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578889598 335686191 /nfs/dbraw/zinc/68/61/91/335686191.db2.gz RJONXGDTZNGZJA-RKDXNWHRSA-N 1 3 279.348 -0.849 20 0 CBADHO NC1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000578979499 335694767 /nfs/dbraw/zinc/69/47/67/335694767.db2.gz ASKRNAAJFQDWIM-UHFFFAOYSA-N 1 3 261.329 -0.079 20 0 CBADHO O=C(CNC1CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000581305148 336043924 /nfs/dbraw/zinc/04/39/24/336043924.db2.gz QOADXESBCSUMLG-JTQLQIEISA-N 1 3 294.321 -0.309 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C[C@@H]1CNCCO1)C1CCCC1 ZINC000581309815 336045439 /nfs/dbraw/zinc/04/54/39/336045439.db2.gz SBRRFBCXTQORJM-VXGBXAGGSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C[C@H]1CNCCO1)C1CCCC1 ZINC000581309813 336045495 /nfs/dbraw/zinc/04/54/95/336045495.db2.gz SBRRFBCXTQORJM-NWDGAFQWSA-N 1 3 255.362 -0.001 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000581546943 336099910 /nfs/dbraw/zinc/09/99/10/336099910.db2.gz PKVWJPWLTAEYCI-QWRGUYRKSA-N 1 3 260.382 -0.274 20 0 CBADHO CS(=O)(=O)NCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581608496 336111678 /nfs/dbraw/zinc/11/16/78/336111678.db2.gz OWBSSZHIMQGYAL-NEPJUHHUSA-N 1 3 275.418 -0.143 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000581777855 336146007 /nfs/dbraw/zinc/14/60/07/336146007.db2.gz FXFGIWWZJHHWAG-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237360839 533769893 /nfs/dbraw/zinc/76/98/93/533769893.db2.gz WDOBPCKZXKCPKC-WDEREUQCSA-N 1 3 270.377 -0.893 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)CN1CCOCC1 ZINC000049557255 524474724 /nfs/dbraw/zinc/47/47/24/524474724.db2.gz UFADBTMQKHIKOR-STQMWFEESA-N 1 3 259.394 -0.391 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376696779 529151787 /nfs/dbraw/zinc/15/17/87/529151787.db2.gz ZITNKTPHUQCFES-TZMCWYRMSA-N 1 3 286.395 -0.170 20 0 CBADHO CN(C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000357244448 535890755 /nfs/dbraw/zinc/89/07/55/535890755.db2.gz SBMMDBLZLIOFNK-SNVBAGLBSA-N 1 3 266.349 -0.506 20 0 CBADHO CS(=O)(=O)CC[NH2+]CCCCN1CCC[C@@H]1CO ZINC000843073211 583199802 /nfs/dbraw/zinc/19/98/02/583199802.db2.gz OMQFLVXAWHVKAT-GFCCVEGCSA-N 1 3 278.418 -0.143 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1=COCCO1 ZINC000728611609 582144166 /nfs/dbraw/zinc/14/41/66/582144166.db2.gz RLYIABLCAWGXQO-UHFFFAOYSA-N 1 3 271.361 -0.174 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC2CC([NH+](C)C)C2)CC1=O ZINC000773487118 582347685 /nfs/dbraw/zinc/34/76/85/582347685.db2.gz NTWVOKRALPZDNY-PNESKVBLSA-N 1 3 296.415 -0.395 20 0 CBADHO CN(C)CCNC(=S)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000782402810 582368748 /nfs/dbraw/zinc/36/87/48/582368748.db2.gz YLTNFJATOPVYOQ-PHIMTYICSA-N 1 3 256.419 -0.084 20 0 CBADHO CN(C)CCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000782402810 582368749 /nfs/dbraw/zinc/36/87/49/582368749.db2.gz YLTNFJATOPVYOQ-PHIMTYICSA-N 1 3 256.419 -0.084 20 0 CBADHO OC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528819 582369101 /nfs/dbraw/zinc/36/91/01/582369101.db2.gz FUFREQIRGUBLKP-ZIAGYGMSSA-N 1 3 272.389 -0.180 20 0 CBADHO CCNCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000818586129 582512216 /nfs/dbraw/zinc/51/22/16/582512216.db2.gz SAEMLZAWAGPUGY-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)C2CC2)C1 ZINC000819004022 582524696 /nfs/dbraw/zinc/52/46/96/582524696.db2.gz JOLWILOZCLXSOD-STQMWFEESA-N 1 3 269.389 -0.066 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)C2CC2)C1 ZINC000819004022 582524698 /nfs/dbraw/zinc/52/46/98/582524698.db2.gz JOLWILOZCLXSOD-STQMWFEESA-N 1 3 269.389 -0.066 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@]1(F)CC[NH2+]C1 ZINC000831822816 583004252 /nfs/dbraw/zinc/00/42/52/583004252.db2.gz OSNVGPQHQCHQKF-ZDUSSCGKSA-N 1 3 273.352 -0.349 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971334 583009488 /nfs/dbraw/zinc/00/94/88/583009488.db2.gz VJMODBRMISEUCI-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971334 583009490 /nfs/dbraw/zinc/00/94/90/583009490.db2.gz VJMODBRMISEUCI-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO CN(C)CCNC(=S)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000840778908 583167571 /nfs/dbraw/zinc/16/75/71/583167571.db2.gz HFKHLVGTURBFPM-LBPRGKRZSA-N 1 3 288.461 -0.141 20 0 CBADHO CN(C)CCNC(=S)NC[C@@H]1CCC[N@H+]1CCCO ZINC000840778908 583167572 /nfs/dbraw/zinc/16/75/72/583167572.db2.gz HFKHLVGTURBFPM-LBPRGKRZSA-N 1 3 288.461 -0.141 20 0 CBADHO CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CC([NH3+])C1 ZINC000841790483 583173988 /nfs/dbraw/zinc/17/39/88/583173988.db2.gz XIBNWFVLYXLXEN-PYNQCMFNSA-N 1 3 282.388 -0.019 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841789757 583174032 /nfs/dbraw/zinc/17/40/32/583174032.db2.gz QMHPBRZLJZUHGS-QJPTWQEYSA-N 1 3 270.377 -0.114 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790755 583174422 /nfs/dbraw/zinc/17/44/22/583174422.db2.gz JDIBMNFFJJBZMD-AGIUHOORSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790758 583174570 /nfs/dbraw/zinc/17/45/70/583174570.db2.gz JDIBMNFFJJBZMD-JHJVBQTASA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(N[C@H]1CNCCC1(F)F)[C@]1(F)CC[NH2+]C1 ZINC000841852268 583175406 /nfs/dbraw/zinc/17/54/06/583175406.db2.gz ISOJHXGVASZJFG-CBAPKCEASA-N 1 3 251.252 -0.199 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000842014229 583177606 /nfs/dbraw/zinc/17/76/06/583177606.db2.gz APSLMTNUUTWIRF-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N1CCCCC1 ZINC000842014262 583177838 /nfs/dbraw/zinc/17/78/38/583177838.db2.gz BDROXBYRMMWZBT-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016037 583178126 /nfs/dbraw/zinc/17/81/26/583178126.db2.gz QUBCLSDYRMQXHQ-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])N1CCCCC1 ZINC000842015420 583178191 /nfs/dbraw/zinc/17/81/91/583178191.db2.gz LCENHMUYXDGWQQ-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[NH2+]C ZINC000842097345 583179287 /nfs/dbraw/zinc/17/92/87/583179287.db2.gz KOTXEICQNHTCAV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843453379 583221093 /nfs/dbraw/zinc/22/10/93/583221093.db2.gz NPQGIHAHHQMUBB-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NCCN1CCCC1 ZINC000844166696 583255666 /nfs/dbraw/zinc/25/56/66/583255666.db2.gz QBECISFEQVZAFE-GFCCVEGCSA-N 1 3 255.362 -0.033 20 0 CBADHO COCCNCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844171206 583256137 /nfs/dbraw/zinc/25/61/37/583256137.db2.gz NELJLTSERPLCBG-AWEZNQCLSA-N 1 3 299.415 -0.018 20 0 CBADHO C[NH2+]CC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000844172422 583256709 /nfs/dbraw/zinc/25/67/09/583256709.db2.gz XOYBISLDZOWHMN-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844176155 583257397 /nfs/dbraw/zinc/25/73/97/583257397.db2.gz XNYBHFWCZYOFHU-AWEZNQCLSA-N 1 3 299.415 -0.018 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000844179002 583257974 /nfs/dbraw/zinc/25/79/74/583257974.db2.gz CLHONJJPYASAEF-BFHYXJOUSA-N 1 3 297.399 -0.266 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181276 583258399 /nfs/dbraw/zinc/25/83/99/583258399.db2.gz WYNYVKGFQBZHGF-KVSVUVNWSA-N 1 3 265.357 -0.569 20 0 CBADHO CN(C)C(=O)[C@H]1CN(CCCCCC[NH3+])CCN1 ZINC000846220306 583356060 /nfs/dbraw/zinc/35/60/60/583356060.db2.gz FLKNDXFHEWJVAT-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000846312229 583358701 /nfs/dbraw/zinc/35/87/01/583358701.db2.gz FJWJCXRDERABLZ-VIFPVBQESA-N 1 3 254.338 -0.087 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)CN ZINC000846345568 583359165 /nfs/dbraw/zinc/35/91/65/583359165.db2.gz YRDWGDSIOAZGGN-NSHDSACASA-N 1 3 272.393 -0.456 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)CN ZINC000846345568 583359166 /nfs/dbraw/zinc/35/91/66/583359166.db2.gz YRDWGDSIOAZGGN-NSHDSACASA-N 1 3 272.393 -0.456 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846716614 583385689 /nfs/dbraw/zinc/38/56/89/583385689.db2.gz DFCVWIHDOANTRO-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO CN1C[C@H]([N@H+](C)C[C@@H](O)CN2CCCC2)CCC1=O ZINC000846920702 583392733 /nfs/dbraw/zinc/39/27/33/583392733.db2.gz JKWRAXJTXNDBPW-CHWSQXEVSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1C[C@H]([N@@H+](C)C[C@@H](O)CN2CCCC2)CCC1=O ZINC000846920702 583392735 /nfs/dbraw/zinc/39/27/35/583392735.db2.gz JKWRAXJTXNDBPW-CHWSQXEVSA-N 1 3 269.389 -0.004 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848616412 583453301 /nfs/dbraw/zinc/45/33/01/583453301.db2.gz MGZDBLJRZGDTRB-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)C ZINC000848982049 583464085 /nfs/dbraw/zinc/46/40/85/583464085.db2.gz OPQSFWQKFCDQRI-SNVBAGLBSA-N 1 3 255.366 -0.327 20 0 CBADHO COC[C@@H](C)NC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987871 583464612 /nfs/dbraw/zinc/46/46/12/583464612.db2.gz KNGPYNAEQGNGOP-LLVKDONJSA-N 1 3 272.393 -0.018 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000849026087 583469216 /nfs/dbraw/zinc/46/92/16/583469216.db2.gz UIHFGOCYVSERCP-VIFPVBQESA-N 1 3 291.346 -0.034 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849041095 583471036 /nfs/dbraw/zinc/47/10/36/583471036.db2.gz KCOHRHVVZKFSDW-NEPJUHHUSA-N 1 3 295.391 -0.763 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000851668162 583519394 /nfs/dbraw/zinc/51/93/94/583519394.db2.gz RYOOYVPOSAXODH-JGVFFNPUSA-N 1 3 250.293 -0.109 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000852846908 583559843 /nfs/dbraw/zinc/55/98/43/583559843.db2.gz LMMIBXVJFQMMSX-CYBMUJFWSA-N 1 3 274.384 -0.312 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852854314 583561048 /nfs/dbraw/zinc/56/10/48/583561048.db2.gz DJWLERURCPOYFL-CYBMUJFWSA-N 1 3 288.367 -0.834 20 0 CBADHO NC[C@H]1CC(C(=O)NCCC[NH+]2CCCC2)=NO1 ZINC000852856256 583561555 /nfs/dbraw/zinc/56/15/55/583561555.db2.gz WXQDSDLVIBHDLH-SNVBAGLBSA-N 1 3 254.334 -0.308 20 0 CBADHO CC[NH+]1CCC(NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852854996 583561572 /nfs/dbraw/zinc/56/15/72/583561572.db2.gz SUJJMKXYUXZYCX-JTQLQIEISA-N 1 3 254.334 -0.310 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000852855587 583561605 /nfs/dbraw/zinc/56/16/05/583561605.db2.gz GDBNLZHISMAWLC-LBPRGKRZSA-N 1 3 284.404 -0.408 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852860133 583562117 /nfs/dbraw/zinc/56/21/17/583562117.db2.gz KXMRKYBHEFZYPE-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852860133 583562119 /nfs/dbraw/zinc/56/21/19/583562119.db2.gz KXMRKYBHEFZYPE-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860811 583562463 /nfs/dbraw/zinc/56/24/63/583562463.db2.gz VIPZMWOWCWOIDQ-ONGXEEELSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860811 583562465 /nfs/dbraw/zinc/56/24/65/583562465.db2.gz VIPZMWOWCWOIDQ-ONGXEEELSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860809 583562628 /nfs/dbraw/zinc/56/26/28/583562628.db2.gz VIPZMWOWCWOIDQ-KOLCDFICSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860809 583562630 /nfs/dbraw/zinc/56/26/30/583562630.db2.gz VIPZMWOWCWOIDQ-KOLCDFICSA-N 1 3 266.345 -0.310 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852861783 583562948 /nfs/dbraw/zinc/56/29/48/583562948.db2.gz JPDWONYSXHDOIV-VHSXEESVSA-N 1 3 256.350 -0.064 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCN(C3CC3)C2)=NO1 ZINC000852863121 583563274 /nfs/dbraw/zinc/56/32/74/583563274.db2.gz QPLCMYYMZFSRKK-WPRPVWTQSA-N 1 3 252.318 -0.557 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852864604 583563656 /nfs/dbraw/zinc/56/36/56/583563656.db2.gz BIVIPVHBSGIUKV-NXEZZACHSA-N 1 3 254.334 -0.357 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870544 583564795 /nfs/dbraw/zinc/56/47/95/583564795.db2.gz VQSKBMJETDQGPO-QWRGUYRKSA-N 1 3 268.361 -0.110 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870544 583564797 /nfs/dbraw/zinc/56/47/97/583564797.db2.gz VQSKBMJETDQGPO-QWRGUYRKSA-N 1 3 268.361 -0.110 20 0 CBADHO COC1CCN(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852870244 583564893 /nfs/dbraw/zinc/56/48/93/583564893.db2.gz QLVMZRPTFTVZAD-LLVKDONJSA-N 1 3 284.360 -0.683 20 0 CBADHO C[C@@]1(CNC(=O)C2=NO[C@H](CN)C2)CCC[NH2+]C1 ZINC000852875624 583565827 /nfs/dbraw/zinc/56/58/27/583565827.db2.gz LPUGNCOYTGCYDU-JOYOIKCWSA-N 1 3 254.334 -0.404 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CCN1 ZINC000852879107 583566377 /nfs/dbraw/zinc/56/63/77/583566377.db2.gz QLWDCIQGVUZMJN-GXSJLCMTSA-N 1 3 254.334 -0.454 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000852881539 583567044 /nfs/dbraw/zinc/56/70/44/583567044.db2.gz MHOLHWTUKHECKS-HRDYMLBCSA-N 1 3 263.288 -0.536 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852886353 583568772 /nfs/dbraw/zinc/56/87/72/583568772.db2.gz KHRMBSVUZPLXKW-JTQLQIEISA-N 1 3 256.350 -0.110 20 0 CBADHO C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1C[NH3+] ZINC000852890374 583570105 /nfs/dbraw/zinc/57/01/05/583570105.db2.gz JIDDWFWBCKVNRR-OPRDCNLKSA-N 1 3 254.334 -0.467 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852903306 583572623 /nfs/dbraw/zinc/57/26/23/583572623.db2.gz YJLFAAIPZZOCNX-LLVKDONJSA-N 1 3 285.392 -0.910 20 0 CBADHO N[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000852918586 583574783 /nfs/dbraw/zinc/57/47/83/583574783.db2.gz FJKROQVIGJABDA-GMTAPVOTSA-N 1 3 259.325 -0.347 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000857109748 583665201 /nfs/dbraw/zinc/66/52/01/583665201.db2.gz NJYXUWRWIUABEF-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO COCCN(CCN(C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000857112739 583665800 /nfs/dbraw/zinc/66/58/00/583665800.db2.gz HPVICXXZRZVLTI-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO CCN(CC[NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861572680 583771116 /nfs/dbraw/zinc/77/11/16/583771116.db2.gz WOSYGROAOWBZCK-NEPJUHHUSA-N 1 3 270.377 -0.160 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861574833 583771287 /nfs/dbraw/zinc/77/12/87/583771287.db2.gz ZAXZNNXLVFMLGE-UMSGYPCISA-N 1 3 282.388 -0.101 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861573128 583771306 /nfs/dbraw/zinc/77/13/06/583771306.db2.gz BENFFTURIZGBHI-SRVKXCTJSA-N 1 3 270.377 -0.162 20 0 CBADHO COCCCN(C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861592907 583771913 /nfs/dbraw/zinc/77/19/13/583771913.db2.gz WLSOPSXNIMZCDB-LLVKDONJSA-N 1 3 260.382 -0.057 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CNCCC1(F)F ZINC000861644898 583775003 /nfs/dbraw/zinc/77/50/03/583775003.db2.gz BCNJDSOEZRGAKC-YUMQZZPRSA-N 1 3 250.293 -0.028 20 0 CBADHO [NH3+]CCCOCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000861646609 583775227 /nfs/dbraw/zinc/77/52/27/583775227.db2.gz SMXZBPVYRWUURR-VIFPVBQESA-N 1 3 280.319 -0.352 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744722 583783318 /nfs/dbraw/zinc/78/33/18/583783318.db2.gz ODCRIKAPOCVNPL-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861744210 583783359 /nfs/dbraw/zinc/78/33/59/583783359.db2.gz USKBGKQPECFBSC-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861757133 583784567 /nfs/dbraw/zinc/78/45/67/583784567.db2.gz MYSNAMLLXBQOHD-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCCOCC[NH2+]C ZINC000863543891 583845870 /nfs/dbraw/zinc/84/58/70/583845870.db2.gz FREJPFDADYDECB-WDEREUQCSA-N 1 3 259.350 -0.894 20 0 CBADHO O=C1OCCN1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000863551218 583846284 /nfs/dbraw/zinc/84/62/84/583846284.db2.gz DRQPOQVPGWALII-GFCCVEGCSA-N 1 3 271.361 -0.125 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCNC1=O ZINC000865177228 583899672 /nfs/dbraw/zinc/89/96/72/583899672.db2.gz BRWYEWJHWSKDJT-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CNC(=O)NC[C@H]1CCCCN1CCOCC[NH3+] ZINC000866685171 583926993 /nfs/dbraw/zinc/92/69/93/583926993.db2.gz CPPQMKZKSREFFB-LLVKDONJSA-N 1 3 258.366 -0.255 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868395137 583977402 /nfs/dbraw/zinc/97/74/02/583977402.db2.gz HBDOOLURMLLEIX-NEPJUHHUSA-N 1 3 282.388 -0.654 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868395137 583977404 /nfs/dbraw/zinc/97/74/04/583977404.db2.gz HBDOOLURMLLEIX-NEPJUHHUSA-N 1 3 282.388 -0.654 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868404785 583977816 /nfs/dbraw/zinc/97/78/16/583977816.db2.gz GHVXKDPEXALZQC-LLVKDONJSA-N 1 3 282.388 -0.511 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1c[nH]cn1 ZINC000869236588 583995994 /nfs/dbraw/zinc/99/59/94/583995994.db2.gz CTIKXVYICWCGDW-WCQYABFASA-N 1 3 297.403 -0.169 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1c[nH]cn1 ZINC000869236588 583995996 /nfs/dbraw/zinc/99/59/96/583995996.db2.gz CTIKXVYICWCGDW-WCQYABFASA-N 1 3 297.403 -0.169 20 0 CBADHO CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](CN)C1 ZINC000870938875 584022287 /nfs/dbraw/zinc/02/22/87/584022287.db2.gz VQJYVTOIMHROAT-TUAOUCFPSA-N 1 3 254.378 -0.395 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870953933 584022915 /nfs/dbraw/zinc/02/29/15/584022915.db2.gz SZXRPSRNBONOFW-XUJVJEKNSA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H](NC(=O)C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000870983955 584024466 /nfs/dbraw/zinc/02/44/66/584024466.db2.gz DWHFBDFEWSDMMA-PWSUYJOCSA-N 1 3 255.362 -0.131 20 0 CBADHO COCCN(C)C(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000871604111 584043409 /nfs/dbraw/zinc/04/34/09/584043409.db2.gz TYLURUQGOMXNEC-ZDUSSCGKSA-N 1 3 285.436 -0.028 20 0 CBADHO CN(C)CCCS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871815601 584046227 /nfs/dbraw/zinc/04/62/27/584046227.db2.gz KZUHDFVLCSAYJG-NWDGAFQWSA-N 1 3 275.418 -0.191 20 0 CBADHO CC(C)(O)C[C@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000872213352 584050580 /nfs/dbraw/zinc/05/05/80/584050580.db2.gz LGFGKWIOHDBRJE-ZDUSSCGKSA-N 1 3 274.405 -0.055 20 0 CBADHO C[N@H+](C[C@H](O)CNCC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234240 584052115 /nfs/dbraw/zinc/05/21/15/584052115.db2.gz MOTCASNTZMAYEF-LLVKDONJSA-N 1 3 293.433 -0.654 20 0 CBADHO C[N@@H+](C[C@H](O)CNCC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234240 584052116 /nfs/dbraw/zinc/05/21/16/584052116.db2.gz MOTCASNTZMAYEF-LLVKDONJSA-N 1 3 293.433 -0.654 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277357 584053099 /nfs/dbraw/zinc/05/30/99/584053099.db2.gz YQNOATULJUANKM-MNOVXSKESA-N 1 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/nfs/dbraw/zinc/18/22/91/584182291.db2.gz GDUALWWLFOFSFZ-JLNYLFASSA-N 1 3 279.384 -0.083 20 0 CBADHO C[NH+]1CCC(NC(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000878543558 584207546 /nfs/dbraw/zinc/20/75/46/584207546.db2.gz GALTXAPYOYIFKD-CQSZACIVSA-N 1 3 282.388 -0.606 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580327 584241709 /nfs/dbraw/zinc/24/17/09/584241709.db2.gz SNQXOZQYBLCZPE-KKUMJFAQSA-N 1 3 285.432 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580327 584241710 /nfs/dbraw/zinc/24/17/10/584241710.db2.gz SNQXOZQYBLCZPE-KKUMJFAQSA-N 1 3 285.432 -0.049 20 0 CBADHO c1nnnn1CCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000883428134 584341749 /nfs/dbraw/zinc/34/17/49/584341749.db2.gz MNEXXLKEMSBPRH-LBPRGKRZSA-N 1 3 250.350 -0.005 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCn3cnnn3)CC2)C1 ZINC000883432885 584342318 /nfs/dbraw/zinc/34/23/18/584342318.db2.gz CNPSLWDQKWROOZ-CHWSQXEVSA-N 1 3 280.376 -0.109 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCn3cnnn3)C2)C1 ZINC000883434724 584342344 /nfs/dbraw/zinc/34/23/44/584342344.db2.gz ZMFCTHUOAMFCOY-JHJVBQTASA-N 1 3 280.376 -0.109 20 0 CBADHO CO[C@@H](CN)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000884020801 584356181 /nfs/dbraw/zinc/35/61/81/584356181.db2.gz JZHCEUPAUSJINZ-LBPRGKRZSA-N 1 3 251.330 -0.222 20 0 CBADHO CN(CCC[NH3+])C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884035837 584356583 /nfs/dbraw/zinc/35/65/83/584356583.db2.gz JIPKLWSBVDHGMI-UHFFFAOYSA-N 1 3 277.372 -0.088 20 0 CBADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(C)C[C@H]1CN ZINC000884041958 584357407 /nfs/dbraw/zinc/35/74/07/584357407.db2.gz LYOAGNXFBFAABN-NEPJUHHUSA-N 1 3 256.394 -0.278 20 0 CBADHO COCC[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000884192226 584365268 /nfs/dbraw/zinc/36/52/68/584365268.db2.gz ZRTSZPRAXKZCRK-PWSUYJOCSA-N 1 3 275.418 -0.096 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884213780 584367601 /nfs/dbraw/zinc/36/76/01/584367601.db2.gz KYMQEHSBEPGVRM-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884213779 584367857 /nfs/dbraw/zinc/36/78/57/584367857.db2.gz KYMQEHSBEPGVRM-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000884233739 584368849 /nfs/dbraw/zinc/36/88/49/584368849.db2.gz XRLLODBDZMXRLT-LBPRGKRZSA-N 1 3 264.329 -0.296 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000884238943 584369598 /nfs/dbraw/zinc/36/95/98/584369598.db2.gz KOUFIHNLUYUWCQ-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300720 584372794 /nfs/dbraw/zinc/37/27/94/584372794.db2.gz GCDOBTFUULDGBU-WOPDTQHZSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884444354 584382039 /nfs/dbraw/zinc/38/20/39/584382039.db2.gz HVZLTTHGTFLQNJ-NSHDSACASA-N 1 3 277.372 -0.090 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884545250 584387271 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CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626891 584391696 /nfs/dbraw/zinc/39/16/96/584391696.db2.gz YNKLDJFLNVMEBF-RWMBFGLXSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631558 584392201 /nfs/dbraw/zinc/39/22/01/584392201.db2.gz OFOGQMHFXNIJRJ-KGYLQXTDSA-N 1 3 294.399 -0.465 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884650663 584392558 /nfs/dbraw/zinc/39/25/58/584392558.db2.gz QXPCJCBLLVLPQY-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCCN)CC1 ZINC000884672760 584393981 /nfs/dbraw/zinc/39/39/81/584393981.db2.gz BTRNAWCYSQFIRB-UHFFFAOYSA-N 1 3 284.404 -0.312 20 0 CBADHO CN1CCN(C(=O)C(=O)NCCC[NH3+])CCC1(C)C ZINC000884673374 584394231 /nfs/dbraw/zinc/39/42/31/584394231.db2.gz VKUQMNMWLXONTN-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884673817 584394513 /nfs/dbraw/zinc/39/45/13/584394513.db2.gz GUTGIVKNSJKALU-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884705318 584399672 /nfs/dbraw/zinc/39/96/72/584399672.db2.gz PFJVQKYSFISWNM-DCAQKATOSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884705318 584399674 /nfs/dbraw/zinc/39/96/74/584399674.db2.gz PFJVQKYSFISWNM-DCAQKATOSA-N 1 3 268.361 -0.998 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884878582 584404796 /nfs/dbraw/zinc/40/47/96/584404796.db2.gz AYYVBTDIVYCNKL-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885196306 584409681 /nfs/dbraw/zinc/40/96/81/584409681.db2.gz AXNVLTCFRYDMID-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CN(C)[C@H]1CC[C@H]([N@H+](C)CC(=O)NC)CC1 ZINC000886389341 584438730 /nfs/dbraw/zinc/43/87/30/584438730.db2.gz FSEZAOOPGAQHAX-HAQNSBGRSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN(C)[C@H]1CC[C@H]([N@@H+](C)CC(=O)NC)CC1 ZINC000886389341 584438732 /nfs/dbraw/zinc/43/87/32/584438732.db2.gz FSEZAOOPGAQHAX-HAQNSBGRSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CCO)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000886968577 584452510 /nfs/dbraw/zinc/45/25/10/584452510.db2.gz IWXXXFYHGBLTMC-ZETCQYMHSA-N 1 3 272.271 -0.901 20 0 CBADHO C[N@H+](CCO)CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000886965198 584452645 /nfs/dbraw/zinc/45/26/45/584452645.db2.gz SAQWIRHIOFQTCG-UHFFFAOYSA-N 1 3 293.371 -0.227 20 0 CBADHO C[N@@H+](CCO)CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000886965198 584452648 /nfs/dbraw/zinc/45/26/48/584452648.db2.gz SAQWIRHIOFQTCG-UHFFFAOYSA-N 1 3 293.371 -0.227 20 0 CBADHO CN(CCO)CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000886967332 584452659 /nfs/dbraw/zinc/45/26/59/584452659.db2.gz XSYFRIIAQZTWFE-QMMMGPOBSA-N 1 3 286.298 -0.511 20 0 CBADHO CCN(C(=O)C(=O)N(C)CCN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000887066240 584460991 /nfs/dbraw/zinc/46/09/91/584460991.db2.gz HMHGTSRXHVWYSS-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000887084951 584462735 /nfs/dbraw/zinc/46/27/35/584462735.db2.gz WQSBMSDFLHORND-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000887087979 584463038 /nfs/dbraw/zinc/46/30/38/584463038.db2.gz GQIGUDFCOOTZRA-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000887087979 584463039 /nfs/dbraw/zinc/46/30/39/584463039.db2.gz GQIGUDFCOOTZRA-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000889754859 584535621 /nfs/dbraw/zinc/53/56/21/584535621.db2.gz GQKSZMVKNXMDJU-BFHYXJOUSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000889754859 584535623 /nfs/dbraw/zinc/53/56/23/584535623.db2.gz GQKSZMVKNXMDJU-BFHYXJOUSA-N 1 3 281.400 -0.004 20 0 CBADHO COCCN1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891440575 584581777 /nfs/dbraw/zinc/58/17/77/584581777.db2.gz YJHQTULKXQBTNR-STQMWFEESA-N 1 3 282.388 -0.147 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891514652 584583508 /nfs/dbraw/zinc/58/35/08/584583508.db2.gz WDVKOUHNKADCON-JHJVBQTASA-N 1 3 282.388 -0.018 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514441 584583666 /nfs/dbraw/zinc/58/36/66/584583666.db2.gz RPIGAMCKRASOHN-RQJABVFESA-N 1 3 294.399 -0.005 20 0 CBADHO C[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CCN(C)CC1 ZINC000891604060 584587814 /nfs/dbraw/zinc/58/78/14/584587814.db2.gz VPOQODCVCPGIIV-RDBSUJKOSA-N 1 3 295.431 -0.374 20 0 CBADHO COCCNCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892054711 584601902 /nfs/dbraw/zinc/60/19/02/584601902.db2.gz FYVQPQQWJYPRSM-QWRGUYRKSA-N 1 3 258.366 -0.209 20 0 CBADHO COCCNCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892055983 584602280 /nfs/dbraw/zinc/60/22/80/584602280.db2.gz PDBDEYXBUHSHHP-WCQYABFASA-N 1 3 270.377 -0.527 20 0 CBADHO COCCNCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892055949 584602329 /nfs/dbraw/zinc/60/23/29/584602329.db2.gz NTDDCFGVFQYXAS-WCQYABFASA-N 1 3 270.377 -0.194 20 0 CBADHO [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000892187383 584608383 /nfs/dbraw/zinc/60/83/83/584608383.db2.gz AODKUFPFNMYAJG-QWRGUYRKSA-N 1 3 256.350 -0.502 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1CC[NH2+]CCC12CCC2 ZINC000892188662 584608707 /nfs/dbraw/zinc/60/87/07/584608707.db2.gz IYWZFBKCENBDFA-GFCCVEGCSA-N 1 3 282.388 -0.098 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892464033 584617027 /nfs/dbraw/zinc/61/70/27/584617027.db2.gz ZSPOVWNTEFXLSR-UXUKBGGZSA-N 1 3 282.388 -0.282 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566506 584619275 /nfs/dbraw/zinc/61/92/75/584619275.db2.gz JLKIVQYICUSFBB-HAQNSBGRSA-N 1 3 299.419 -0.615 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576099 584619666 /nfs/dbraw/zinc/61/96/66/584619666.db2.gz LJOPPSQMUJSBBV-JOCQHMNTSA-N 1 3 285.436 -0.142 20 0 CBADHO CCN(CCO)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892854965 584628556 /nfs/dbraw/zinc/62/85/56/584628556.db2.gz PWTMPXCFZUDAHU-UHFFFAOYSA-N 1 3 260.382 -0.273 20 0 CBADHO CN(C)CCOCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894368214 584656744 /nfs/dbraw/zinc/65/67/44/584656744.db2.gz XYAUSQQATHNNHJ-BETUJISGSA-N 1 3 284.404 -0.232 20 0 CBADHO CN(C)CCOCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894368214 584656747 /nfs/dbraw/zinc/65/67/47/584656747.db2.gz XYAUSQQATHNNHJ-BETUJISGSA-N 1 3 284.404 -0.232 20 0 CBADHO C[NH+]1C[C@@]2(C)CN(c3nc(N)nc(N)n3)C[C@]2(C)C1 ZINC000894802630 584664631 /nfs/dbraw/zinc/66/46/31/584664631.db2.gz QYENHUGZECNHGC-RYUDHWBXSA-N 1 3 263.349 -0.186 20 0 CBADHO COCCN(C)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896096927 584692202 /nfs/dbraw/zinc/69/22/02/584692202.db2.gz LAJUCNZRFXPJML-UHFFFAOYSA-N 1 3 299.415 -0.208 20 0 CBADHO C[C@H]1CCN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000897441580 584716487 /nfs/dbraw/zinc/71/64/87/584716487.db2.gz HCQZPWPZSOUAHF-GXTWGEPZSA-N 1 3 286.420 -0.060 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000897446648 584716737 /nfs/dbraw/zinc/71/67/37/584716737.db2.gz XKQWRCQWCSQIFF-JSGCOSHPSA-N 1 3 284.404 -0.306 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000897446648 584716739 /nfs/dbraw/zinc/71/67/39/584716739.db2.gz XKQWRCQWCSQIFF-JSGCOSHPSA-N 1 3 284.404 -0.306 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897448560 584716813 /nfs/dbraw/zinc/71/68/13/584716813.db2.gz XFKYIGVQPRCMMJ-CYBMUJFWSA-N 1 3 286.420 -0.058 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897448560 584716814 /nfs/dbraw/zinc/71/68/14/584716814.db2.gz XFKYIGVQPRCMMJ-CYBMUJFWSA-N 1 3 286.420 -0.058 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000897495091 584718298 /nfs/dbraw/zinc/71/82/98/584718298.db2.gz SMNDTNYIUGEBTO-JSGCOSHPSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000897495091 584718299 /nfs/dbraw/zinc/71/82/99/584718299.db2.gz SMNDTNYIUGEBTO-JSGCOSHPSA-N 1 3 284.404 -0.164 20 0 CBADHO C[N@H+](CCO)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000899737337 584777778 /nfs/dbraw/zinc/77/77/78/584777778.db2.gz HOYKNTGXMDYIFZ-GFCCVEGCSA-N 1 3 255.362 -0.347 20 0 CBADHO C[N@@H+](CCO)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000899737337 584777779 /nfs/dbraw/zinc/77/77/79/584777779.db2.gz HOYKNTGXMDYIFZ-GFCCVEGCSA-N 1 3 255.362 -0.347 20 0 CBADHO CN1CCN(CCCC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000899869193 584782217 /nfs/dbraw/zinc/78/22/17/584782217.db2.gz BQEHWFBWMBMIOP-CQSZACIVSA-N 1 3 285.432 -0.121 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000903464117 584890839 /nfs/dbraw/zinc/89/08/39/584890839.db2.gz AIOKLVSDXXICPV-UONOGXRCSA-N 1 3 295.431 -0.243 20 0 CBADHO CCCNC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491052 584891584 /nfs/dbraw/zinc/89/15/84/584891584.db2.gz SWEGUEDKGOMINY-WDMOLILDSA-N 1 3 283.372 -0.275 20 0 CBADHO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)[C@H]1CCCNC1 ZINC000903538753 584892790 /nfs/dbraw/zinc/89/27/90/584892790.db2.gz AXFYRDXYNRKIEU-NSHDSACASA-N 1 3 291.417 -0.492 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)[C@H]1CCCNC1 ZINC000903550439 584892862 /nfs/dbraw/zinc/89/28/62/584892862.db2.gz GAUYYABTMPTUTJ-UWVGGRQHSA-N 1 3 261.391 -0.344 20 0 CBADHO CC1(C)C[N@H+](CCC(=O)N2CCOCC2)C[C@@H]1N ZINC000903552534 584892947 /nfs/dbraw/zinc/89/29/47/584892947.db2.gz HDBVRWPHDUVFIV-NSHDSACASA-N 1 3 255.362 -0.096 20 0 CBADHO CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)C[C@@H]1N ZINC000903552534 584892948 /nfs/dbraw/zinc/89/29/48/584892948.db2.gz HDBVRWPHDUVFIV-NSHDSACASA-N 1 3 255.362 -0.096 20 0 CBADHO CC1(C)CN(CCC(=O)N2CCNCC2)C[C@H]1[NH3+] ZINC000903557948 584893144 /nfs/dbraw/zinc/89/31/44/584893144.db2.gz IQGANPNLMMQWMC-LLVKDONJSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561693 584893354 /nfs/dbraw/zinc/89/33/54/584893354.db2.gz UEJCGHIWBWKVPW-HBNTYKKESA-N 1 3 261.391 -0.250 20 0 CBADHO O=S(=O)(NC[C@@H]1CCCCC[NH2+]1)N1CCNCC1 ZINC000903567132 584893502 /nfs/dbraw/zinc/89/35/02/584893502.db2.gz YWOHQHFMBRXMTE-NSHDSACASA-N 1 3 276.406 -0.742 20 0 CBADHO O=S1(=O)C[C@H]2CN(CC3CC[NH2+]CC3)C[C@H]2C1 ZINC000903707875 584895199 /nfs/dbraw/zinc/89/51/99/584895199.db2.gz UILMXZBHAQPIEX-TXEJJXNPSA-N 1 3 258.387 -0.038 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](N)C(C)(C)C1 ZINC000903719704 584895833 /nfs/dbraw/zinc/89/58/33/584895833.db2.gz TYEASFPATUGPAN-NSHDSACASA-N 1 3 284.404 -0.408 20 0 CBADHO C[C@@](Cn1cccn1)(NCC[C@@H]1CC[NH2+]C1)C(N)=O ZINC000903829579 584901234 /nfs/dbraw/zinc/90/12/34/584901234.db2.gz HYVDHLHKLFFEFE-AAEUAGOBSA-N 1 3 265.361 -0.284 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903856588 584902392 /nfs/dbraw/zinc/90/23/92/584902392.db2.gz AFLWDPSBWHSTRQ-HIFRSBDPSA-N 1 3 280.416 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[C@]32CN)CC1 ZINC000903856588 584902394 /nfs/dbraw/zinc/90/23/94/584902394.db2.gz AFLWDPSBWHSTRQ-HIFRSBDPSA-N 1 3 280.416 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[C@]32CN)CC1 ZINC000903856588 584902396 /nfs/dbraw/zinc/90/23/96/584902396.db2.gz AFLWDPSBWHSTRQ-HIFRSBDPSA-N 1 3 280.416 -0.036 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870610 584902803 /nfs/dbraw/zinc/90/28/03/584902803.db2.gz ODBLBPIQHSUAIZ-KGLIPLIRSA-N 1 3 271.405 -0.247 20 0 CBADHO CNC(=O)[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903903963 584904452 /nfs/dbraw/zinc/90/44/52/584904452.db2.gz YTRIQKXCJICPFE-PSEXLTFBSA-N 1 3 267.373 -0.036 20 0 CBADHO CC1(C)CN(C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1[NH3+] ZINC000903986690 584905426 /nfs/dbraw/zinc/90/54/26/584905426.db2.gz PLTDWWGQWRBYOM-VXGBXAGGSA-N 1 3 268.405 -0.147 20 0 CBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000970336293 614432313 /nfs/dbraw/zinc/43/23/13/614432313.db2.gz AZHMGRPHFCBPIN-CYBMUJFWSA-N 1 3 269.389 -0.099 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970799468 615113687 /nfs/dbraw/zinc/11/36/87/615113687.db2.gz DSSSJUXUEHRUHE-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970799468 615113689 /nfs/dbraw/zinc/11/36/89/615113689.db2.gz DSSSJUXUEHRUHE-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC000969986316 615374521 /nfs/dbraw/zinc/37/45/21/615374521.db2.gz WNZGOMIFFLKNMF-TUAOUCFPSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC000969992372 615374531 /nfs/dbraw/zinc/37/45/31/615374531.db2.gz WQWICSMGCJRAEF-WOPDTQHZSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC000969985669 615374988 /nfs/dbraw/zinc/37/49/88/615374988.db2.gz LVSQURNTYUWZGA-UTUOFQBUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961284362 615439400 /nfs/dbraw/zinc/43/94/00/615439400.db2.gz TTYAAEUDFPKJBY-FYXRNUCBSA-N 1 3 291.395 -0.084 20 0 CBADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961284362 615439401 /nfs/dbraw/zinc/43/94/01/615439401.db2.gz TTYAAEUDFPKJBY-FYXRNUCBSA-N 1 3 291.395 -0.084 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000968921737 615538005 /nfs/dbraw/zinc/53/80/05/615538005.db2.gz HTRBUNFFBFXGMD-DGCLKSJQSA-N 1 3 296.415 -0.075 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000969595023 616192188 /nfs/dbraw/zinc/19/21/88/616192188.db2.gz JRZATZYEZZHPTA-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970717955 616281058 /nfs/dbraw/zinc/28/10/58/616281058.db2.gz PPQUMLCZJOTTDX-CHWSQXEVSA-N 1 3 294.399 -0.497 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905355109 656352521 /nfs/dbraw/zinc/35/25/21/656352521.db2.gz SFQWQYOJOOKJAQ-RYUDHWBXSA-N 1 3 260.378 -0.540 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CNCCN1C ZINC000911870773 657149763 /nfs/dbraw/zinc/14/97/63/657149763.db2.gz OUORNGLNSGYQQL-NEPJUHHUSA-N 1 3 256.394 -0.278 20 0 CBADHO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)C1CNC1 ZINC000923673509 658395586 /nfs/dbraw/zinc/39/55/86/658395586.db2.gz GDFDBKWCIDGYQG-UHFFFAOYSA-N 1 3 261.391 -0.119 20 0 CBADHO CC[C@H](O)CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378252 658245900 /nfs/dbraw/zinc/24/59/00/658245900.db2.gz TVHSRMOIEJOWSL-BFHYXJOUSA-N 1 3 296.415 -0.023 20 0 CBADHO CN1C[C@@H]2[C@@H](CCCN2C[C@H]2CC3(C[NH2+]C3)CO2)C1=O ZINC000923375581 658246758 /nfs/dbraw/zinc/24/67/58/658246758.db2.gz BFJGGSCZZXKXSA-JHJVBQTASA-N 1 3 279.384 -0.083 20 0 CBADHO CN(C)C(=O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449728 658286926 /nfs/dbraw/zinc/28/69/26/658286926.db2.gz BLLLDAPLFUESCL-NSHDSACASA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000923488404 658304857 /nfs/dbraw/zinc/30/48/57/658304857.db2.gz FLMRTBXMZROAJU-MNOVXSKESA-N 1 3 263.407 -0.206 20 0 CBADHO [NH3+]CCOCCN1CCC2(CCNC(=O)O2)CC1 ZINC000923526871 658314202 /nfs/dbraw/zinc/31/42/02/658314202.db2.gz IKSVMHGFFZHQCH-UHFFFAOYSA-N 1 3 257.334 -0.074 20 0 CBADHO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623570 658357184 /nfs/dbraw/zinc/35/71/84/658357184.db2.gz BCHCOEUDPBXQBD-GFCCVEGCSA-N 1 3 287.429 -0.048 20 0 CBADHO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623570 658357200 /nfs/dbraw/zinc/35/72/00/658357200.db2.gz BCHCOEUDPBXQBD-GFCCVEGCSA-N 1 3 287.429 -0.048 20 0 CBADHO [NH3+]C[C@H](NS(=O)(=O)N1CCNCC1)C1CCCC1 ZINC000923637643 658368358 /nfs/dbraw/zinc/36/83/58/658368358.db2.gz RMPMVXAIOPIQRI-NSHDSACASA-N 1 3 276.406 -0.757 20 0 CBADHO CC[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000923636734 658368551 /nfs/dbraw/zinc/36/85/51/658368551.db2.gz NHGPNGUGHGUCCH-GHMZBOCLSA-N 1 3 276.406 -0.804 20 0 CBADHO [NH3+]Cc1ccc(CNS(=O)(=O)C2CNC2)cc1 ZINC000923653682 658378187 /nfs/dbraw/zinc/37/81/87/658378187.db2.gz XGYZYQVUAVZESM-UHFFFAOYSA-N 1 3 255.343 -0.464 20 0 CBADHO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)C1CNC1 ZINC000923652776 658378496 /nfs/dbraw/zinc/37/84/96/658378496.db2.gz NZOJNYLBEIUFNM-CYBMUJFWSA-N 1 3 281.381 -0.154 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923653188 658378999 /nfs/dbraw/zinc/37/89/99/658378999.db2.gz UQTGUWOCMPCBJH-RYUDHWBXSA-N 1 3 288.417 -0.803 20 0 CBADHO C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)[C@H](C[NH3+])C1 ZINC000923656569 658381722 /nfs/dbraw/zinc/38/17/22/658381722.db2.gz SSWGFQLYDFCMAB-MNOVXSKESA-N 1 3 276.406 -0.804 20 0 CBADHO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)N1CCNCC1 ZINC000923656044 658382261 /nfs/dbraw/zinc/38/22/61/658382261.db2.gz PKAURINLBUMOBA-NSHDSACASA-N 1 3 288.417 -0.599 20 0 CBADHO CN(CCO)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000925004518 658742126 /nfs/dbraw/zinc/74/21/26/658742126.db2.gz HWQRVXIQWOGIDG-UHFFFAOYSA-N 1 3 283.376 -0.901 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CCO ZINC000925007506 658743935 /nfs/dbraw/zinc/74/39/35/658743935.db2.gz QEOMYEMFNZFURC-TXEJJXNPSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CCO ZINC000925007506 658744029 /nfs/dbraw/zinc/74/40/29/658744029.db2.gz QEOMYEMFNZFURC-TXEJJXNPSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925320970 658824942 /nfs/dbraw/zinc/82/49/42/658824942.db2.gz IGDGVEIGBIUPAM-UWVGGRQHSA-N 1 3 254.334 -0.437 20 0 CBADHO CC[N@H+]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925320970 658824948 /nfs/dbraw/zinc/82/49/48/658824948.db2.gz IGDGVEIGBIUPAM-UWVGGRQHSA-N 1 3 254.334 -0.437 20 0 CBADHO COC(=O)c1cn(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)nn1 ZINC000925667359 658864613 /nfs/dbraw/zinc/86/46/13/658864613.db2.gz QNHMYPAKPYFNEX-WDEREUQCSA-N 1 3 279.344 -0.076 20 0 CBADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788395 658871758 /nfs/dbraw/zinc/87/17/58/658871758.db2.gz IFYWKJJFLGTVKR-RWMBFGLXSA-N 1 3 289.445 -0.130 20 0 CBADHO C[NH+](C)CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000040861703 656006403 /nfs/dbraw/zinc/00/64/03/656006403.db2.gz PAMHLHFTDBPNCW-UHFFFAOYSA-N 1 3 290.433 -0.590 20 0 CBADHO CNC(NCCCN1CCC[C@@H]1C(=O)N(C)C)=[NH+]C ZINC000066246643 656036360 /nfs/dbraw/zinc/03/63/60/656036360.db2.gz DILXSWKESQTFFN-LLVKDONJSA-N 1 3 269.393 -0.276 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000091668590 656058699 /nfs/dbraw/zinc/05/86/99/656058699.db2.gz OCCUYDGQRPMBBO-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668052 656059268 /nfs/dbraw/zinc/05/92/68/656059268.db2.gz YGXYLVYDNANMPE-YNEHKIRRSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@]1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000091668128 656059273 /nfs/dbraw/zinc/05/92/73/656059273.db2.gz CBQORJXYPGISQS-DYEKYZERSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178874299 656088973 /nfs/dbraw/zinc/08/89/73/656088973.db2.gz WOMJKVRABLFIHT-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252713708 656123993 /nfs/dbraw/zinc/12/39/93/656123993.db2.gz PZKHANZTGZKQJC-SDDRHHMPSA-N 1 3 253.346 -0.282 20 0 CBADHO CNC(=O)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000261602797 656125346 /nfs/dbraw/zinc/12/53/46/656125346.db2.gz QNUBYWUDULDECB-SNVBAGLBSA-N 1 3 268.361 -0.094 20 0 CBADHO CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H]1CC[NH2+]C1 ZINC000262024498 656127918 /nfs/dbraw/zinc/12/79/18/656127918.db2.gz GKNHKBNIFCQECW-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CN2CCC1CC2 ZINC000702421416 656180641 /nfs/dbraw/zinc/18/06/41/656180641.db2.gz OWPQPJFJVFSTEC-RYUDHWBXSA-N 1 3 254.378 -0.572 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000702416966 656180731 /nfs/dbraw/zinc/18/07/31/656180731.db2.gz JXSRDILIHBXLAI-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000702424650 656181389 /nfs/dbraw/zinc/18/13/89/656181389.db2.gz ZCTOAGALRHJOFH-QJPTWQEYSA-N 1 3 254.378 -0.382 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000702424650 656181391 /nfs/dbraw/zinc/18/13/91/656181391.db2.gz ZCTOAGALRHJOFH-QJPTWQEYSA-N 1 3 254.378 -0.382 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000703153698 656183012 /nfs/dbraw/zinc/18/30/12/656183012.db2.gz RCPYMTQHLFWJIF-YFKTTZPYSA-N 1 3 269.345 -0.918 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000703153694 656183129 /nfs/dbraw/zinc/18/31/29/656183129.db2.gz RCPYMTQHLFWJIF-QCNOEVLYSA-N 1 3 269.345 -0.918 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000703612566 656183576 /nfs/dbraw/zinc/18/35/76/656183576.db2.gz VXHVRVIMJTWQQZ-KXNHARMFSA-N 1 3 253.346 -0.297 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000710128307 656197154 /nfs/dbraw/zinc/19/71/54/656197154.db2.gz PEUSHDNCMFPIRT-GRYCIOLGSA-N 1 3 267.373 -0.036 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1(F)F ZINC000715094850 656218660 /nfs/dbraw/zinc/21/86/60/656218660.db2.gz PFLNIGNLIJXKGM-LMLFDSFASA-N 1 3 289.326 -0.194 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000715528902 656220202 /nfs/dbraw/zinc/22/02/02/656220202.db2.gz BYGKXNVHWAGOKX-NWDGAFQWSA-N 1 3 290.433 -0.401 20 0 CBADHO CN(CCO)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000715878786 656220863 /nfs/dbraw/zinc/22/08/63/656220863.db2.gz YNMFSPLDSGERSP-UHFFFAOYSA-N 1 3 255.362 -0.535 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC[N@H+](C)C1CC1 ZINC000719192375 656235100 /nfs/dbraw/zinc/23/51/00/656235100.db2.gz NFRUYKJFHIYXMP-UHFFFAOYSA-N 1 3 251.334 -0.297 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000719192375 656235103 /nfs/dbraw/zinc/23/51/03/656235103.db2.gz NFRUYKJFHIYXMP-UHFFFAOYSA-N 1 3 251.334 -0.297 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884687020 656253936 /nfs/dbraw/zinc/25/39/36/656253936.db2.gz FLRWLDKUYDQDBU-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884787516 656255221 /nfs/dbraw/zinc/25/52/21/656255221.db2.gz UWNSOVKUIHZVLR-SRVKXCTJSA-N 1 3 282.388 -0.465 20 0 CBADHO Cc1nccn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900813476 656312493 /nfs/dbraw/zinc/31/24/93/656312493.db2.gz ZLLBAKPEMDAIKD-AAEUAGOBSA-N 1 3 279.388 -0.058 20 0 CBADHO Cc1nccn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900813476 656312495 /nfs/dbraw/zinc/31/24/95/656312495.db2.gz ZLLBAKPEMDAIKD-AAEUAGOBSA-N 1 3 279.388 -0.058 20 0 CBADHO Cn1cnnc1N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376932 656325918 /nfs/dbraw/zinc/32/59/18/656325918.db2.gz ZBZWYSUZGNPLMU-PHIMTYICSA-N 1 3 250.350 -0.326 20 0 CBADHO CCC[C@@](C)([NH3+])C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000904938809 656329848 /nfs/dbraw/zinc/32/98/48/656329848.db2.gz JWTAKXXCISUGPK-CQSZACIVSA-N 1 3 286.420 -0.018 20 0 CBADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCCNCC1 ZINC000904961948 656330640 /nfs/dbraw/zinc/33/06/40/656330640.db2.gz XJCVQPRSEKGWOE-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO COCC[N@H+](C)CCCNC[C@H](O)C1(O)CCOCC1 ZINC000905036740 656335814 /nfs/dbraw/zinc/33/58/14/656335814.db2.gz UKVDOZSKMKGWAM-ZDUSSCGKSA-N 1 3 290.404 -0.553 20 0 CBADHO COCC[N@@H+](C)CCCNC[C@H](O)C1(O)CCOCC1 ZINC000905036740 656335817 /nfs/dbraw/zinc/33/58/17/656335817.db2.gz UKVDOZSKMKGWAM-ZDUSSCGKSA-N 1 3 290.404 -0.553 20 0 CBADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)C1(O)CCOCC1 ZINC000905060958 656336506 /nfs/dbraw/zinc/33/65/06/656336506.db2.gz ZMVJSXYIAMQCIF-JSGCOSHPSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060958 656336508 /nfs/dbraw/zinc/33/65/08/656336508.db2.gz ZMVJSXYIAMQCIF-JSGCOSHPSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060958 656336511 /nfs/dbraw/zinc/33/65/11/656336511.db2.gz ZMVJSXYIAMQCIF-JSGCOSHPSA-N 1 3 284.400 -0.037 20 0 CBADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000905081575 656337479 /nfs/dbraw/zinc/33/74/79/656337479.db2.gz IGSKDKHIRLGVEL-STQMWFEESA-N 1 3 299.415 -0.561 20 0 CBADHO O[C@H](CN[C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100393 656339156 /nfs/dbraw/zinc/33/91/56/656339156.db2.gz DRCHZLFBRVBVLL-ZIAGYGMSSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CN[C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100393 656339159 /nfs/dbraw/zinc/33/91/59/656339159.db2.gz DRCHZLFBRVBVLL-ZIAGYGMSSA-N 1 3 284.400 -0.037 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000905494590 656360019 /nfs/dbraw/zinc/36/00/19/656360019.db2.gz YPXPUKVHZDQWTJ-ADEWGFFLSA-N 1 3 256.346 -0.160 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000905494590 656360021 /nfs/dbraw/zinc/36/00/21/656360021.db2.gz YPXPUKVHZDQWTJ-ADEWGFFLSA-N 1 3 256.346 -0.160 20 0 CBADHO Cn1nnc2c1C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631926 656364259 /nfs/dbraw/zinc/36/42/59/656364259.db2.gz 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656544597 /nfs/dbraw/zinc/54/45/97/656544597.db2.gz PMDSVNFCMHKTHL-HTAVTVPLSA-N 1 3 255.362 -0.348 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)NCCN2CC=CCC2)C1 ZINC000907884593 656603271 /nfs/dbraw/zinc/60/32/71/656603271.db2.gz BUGSUBIFSDARCA-UHFFFAOYSA-N 1 3 280.416 -0.142 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)NCCN2CC=CCC2)C1 ZINC000907884593 656603276 /nfs/dbraw/zinc/60/32/76/656603276.db2.gz BUGSUBIFSDARCA-UHFFFAOYSA-N 1 3 280.416 -0.142 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC000999208232 656617112 /nfs/dbraw/zinc/61/71/12/656617112.db2.gz MFGQHECDKVWOHI-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC000999208232 656617118 /nfs/dbraw/zinc/61/71/18/656617118.db2.gz MFGQHECDKVWOHI-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC000999350631 656625722 /nfs/dbraw/zinc/62/57/22/656625722.db2.gz ZCPJHVAENOKJPM-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999408418 656628780 /nfs/dbraw/zinc/62/87/80/656628780.db2.gz KLXJSBVJRFUFOC-PNESKVBLSA-N 1 3 269.389 -0.101 20 0 CBADHO NC(=O)CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594538 656636342 /nfs/dbraw/zinc/63/63/42/656636342.db2.gz BIHZIRBWKXPSTF-GFCCVEGCSA-N 1 3 294.399 -0.319 20 0 CBADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(N)=O ZINC000999834764 656656482 /nfs/dbraw/zinc/65/64/82/656656482.db2.gz VXBZSUDQBLUMEK-BPCQOVAHSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)c1ccnn1CC[NH+](C)C ZINC000908201811 656664687 /nfs/dbraw/zinc/66/46/87/656664687.db2.gz RYEVLNDKLJVAEY-LLVKDONJSA-N 1 3 283.376 -0.903 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908201810 656665993 /nfs/dbraw/zinc/66/59/93/656665993.db2.gz RWRUREDVLREUMT-LBPRGKRZSA-N 1 3 285.388 -0.864 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001001007436 656785044 /nfs/dbraw/zinc/78/50/44/656785044.db2.gz 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657022852 /nfs/dbraw/zinc/02/28/52/657022852.db2.gz XTBDIICQPRWXJC-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911337340 657023024 /nfs/dbraw/zinc/02/30/24/657023024.db2.gz RCBILZITSGNKSP-MROQNXINSA-N 1 3 294.399 -0.404 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000911365134 657027798 /nfs/dbraw/zinc/02/77/98/657027798.db2.gz BUISMGMEMZESPA-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373853 657030204 /nfs/dbraw/zinc/03/02/04/657030204.db2.gz BERLVBWQJXRYBE-JHJVBQTASA-N 1 3 296.415 -0.348 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000911382742 657033150 /nfs/dbraw/zinc/03/31/50/657033150.db2.gz OJPVDCWYZMBTKS-AGIUHOORSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911521389 657066022 /nfs/dbraw/zinc/06/60/22/657066022.db2.gz NQULIWNLXJZKIW-LBPRGKRZSA-N 1 3 298.431 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CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911828819 657140944 /nfs/dbraw/zinc/14/09/44/657140944.db2.gz DGTWHNCDDVJZBY-DGCLKSJQSA-N 1 3 256.394 -0.230 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911827374 657142139 /nfs/dbraw/zinc/14/21/39/657142139.db2.gz WZGZASGSXSIFQI-SDDRHHMPSA-N 1 3 254.378 -0.524 20 0 CBADHO CC1(C)CNCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911849237 657146266 /nfs/dbraw/zinc/14/62/66/657146266.db2.gz ZBHDDHIGBGCNDQ-CYBMUJFWSA-N 1 3 255.362 -0.299 20 0 CBADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911877707 657152105 /nfs/dbraw/zinc/15/21/05/657152105.db2.gz CLRXRZOGVCOEQQ-QJPTWQEYSA-N 1 3 256.394 -0.149 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCC(N)=O ZINC000912303967 657228290 /nfs/dbraw/zinc/22/82/90/657228290.db2.gz NNJXLOZHBRCEKL-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCC(N)=O ZINC000912303967 657228299 /nfs/dbraw/zinc/22/82/99/657228299.db2.gz NNJXLOZHBRCEKL-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCCCN1C ZINC000912606629 657296706 /nfs/dbraw/zinc/29/67/06/657296706.db2.gz UTRPXKXWTCYPQX-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCCN1C ZINC000912606629 657296712 /nfs/dbraw/zinc/29/67/12/657296712.db2.gz UTRPXKXWTCYPQX-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO C[C@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654536 657504711 /nfs/dbraw/zinc/50/47/11/657504711.db2.gz YVQJSLWBCCWULP-WCQYABFASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654534 657504928 /nfs/dbraw/zinc/50/49/28/657504928.db2.gz YVQJSLWBCCWULP-AAEUAGOBSA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001015997669 657628280 /nfs/dbraw/zinc/62/82/80/657628280.db2.gz FRXVQVASELTKPX-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001015997669 657628293 /nfs/dbraw/zinc/62/82/93/657628293.db2.gz FRXVQVASELTKPX-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000916332814 657771077 /nfs/dbraw/zinc/77/10/77/657771077.db2.gz ZKIGGXVOFBWXDG-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000916332814 657771082 /nfs/dbraw/zinc/77/10/82/657771082.db2.gz ZKIGGXVOFBWXDG-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO CN1CCN(C)[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000917960263 657822043 /nfs/dbraw/zinc/82/20/43/657822043.db2.gz OTMIYMYOBRRELL-VXGBXAGGSA-N 1 3 269.393 -0.765 20 0 CBADHO CN1CCN(C)[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000917960263 657822048 /nfs/dbraw/zinc/82/20/48/657822048.db2.gz OTMIYMYOBRRELL-VXGBXAGGSA-N 1 3 269.393 -0.765 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018629021 657828665 /nfs/dbraw/zinc/82/86/65/657828665.db2.gz XMOJCXGVLXEDRB-QWHCGFSZSA-N 1 3 294.399 -0.497 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001019033219 657859224 /nfs/dbraw/zinc/85/92/24/657859224.db2.gz FANLVGJIIJWUMC-RWMBFGLXSA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)C(N)=O ZINC001019258676 657877078 /nfs/dbraw/zinc/87/70/78/657877078.db2.gz MDACAZGGPPBLMV-WOPDTQHZSA-N 1 3 282.388 -0.465 20 0 CBADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001019322804 657886227 /nfs/dbraw/zinc/88/62/27/657886227.db2.gz IVDBCJHLCIPQNQ-NSHDSACASA-N 1 3 268.361 -0.996 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)N(C)C ZINC001019337502 657886352 /nfs/dbraw/zinc/88/63/52/657886352.db2.gz MPALVSQHUSUERW-NWDGAFQWSA-N 1 3 257.378 -0.245 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001019394622 657893242 /nfs/dbraw/zinc/89/32/42/657893242.db2.gz LANRRYMPFWGQQT-DCAQKATOSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020586420 658075556 /nfs/dbraw/zinc/07/55/56/658075556.db2.gz NYHUSIFMLVDZPA-GMTAPVOTSA-N 1 3 268.361 -0.807 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001020590099 658076162 /nfs/dbraw/zinc/07/61/62/658076162.db2.gz MBXMKESTYLXVPD-CYDGBPFRSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020589141 658076540 /nfs/dbraw/zinc/07/65/40/658076540.db2.gz XTMUOYFIAFKVPT-ZDEQEGDKSA-N 1 3 294.399 -0.547 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001020589073 658077059 /nfs/dbraw/zinc/07/70/59/658077059.db2.gz WFBQWJIXQBHJQS-USZNOCQGSA-N 1 3 282.388 -0.561 20 0 CBADHO [NH3+]C[C@@H]1CCN(C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923282498 658189075 /nfs/dbraw/zinc/18/90/75/658189075.db2.gz UXVFFVFHWVKPDB-RWMBFGLXSA-N 1 3 258.362 -0.177 20 0 CBADHO C[NH2+]CC1CCN(CCN2C(=O)CN(C)C2=O)CC1 ZINC000923291308 658195519 /nfs/dbraw/zinc/19/55/19/658195519.db2.gz PXWZLZRRUSPGMK-UHFFFAOYSA-N 1 3 268.361 -0.188 20 0 CBADHO CC(=O)N[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302770 658197961 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O=C1OCCN1[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392404 658255165 /nfs/dbraw/zinc/25/51/65/658255165.db2.gz RIPIOIYHROMDIA-VXGBXAGGSA-N 1 3 281.356 -0.109 20 0 CBADHO CN1CC(=O)N(CC[NH2+][C@@H]2C[C@@H](N)C2(C)C)C1=O ZINC000923423051 658273229 /nfs/dbraw/zinc/27/32/29/658273229.db2.gz UVICJEKGIFXQBQ-RKDXNWHRSA-N 1 3 254.334 -0.404 20 0 CBADHO CON1CC[C@@H](N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923445567 658284086 /nfs/dbraw/zinc/28/40/86/658284086.db2.gz XVCNVMBEEQRBEG-VXGBXAGGSA-N 1 3 283.372 -0.022 20 0 CBADHO COC(=O)CCNC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500595 658309587 /nfs/dbraw/zinc/30/95/87/658309587.db2.gz WCWBBHPVMHKWMS-MNOVXSKESA-N 1 3 271.361 -0.418 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923503462 658309626 /nfs/dbraw/zinc/30/96/26/658309626.db2.gz IUWCJDSCKHZBIO-JSGCOSHPSA-N 1 3 296.415 -0.406 20 0 CBADHO COCCOC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515961 658313150 /nfs/dbraw/zinc/31/31/50/658313150.db2.gz 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HCOPQMBYQMSODJ-LLVKDONJSA-N 1 3 286.376 -0.563 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346776 658832047 /nfs/dbraw/zinc/83/20/47/658832047.db2.gz VTQBGVDFIAZQQN-WOPDTQHZSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346776 658832050 /nfs/dbraw/zinc/83/20/50/658832050.db2.gz VTQBGVDFIAZQQN-WOPDTQHZSA-N 1 3 270.377 -0.555 20 0 CBADHO C[N@@H+]1CC[C@H]1CNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000925411537 658839180 /nfs/dbraw/zinc/83/91/80/658839180.db2.gz ZKWVRWNRTCPCKZ-LBPRGKRZSA-N 1 3 284.404 -0.211 20 0 CBADHO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000925411537 658839183 /nfs/dbraw/zinc/83/91/83/658839183.db2.gz ZKWVRWNRTCPCKZ-LBPRGKRZSA-N 1 3 284.404 -0.211 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000925425207 658847266 /nfs/dbraw/zinc/84/72/66/658847266.db2.gz NEQALLRGFIFAFE-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000925425207 658847267 /nfs/dbraw/zinc/84/72/67/658847267.db2.gz NEQALLRGFIFAFE-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN2C)CC[N@H+](C)C1 ZINC000925432458 658851948 /nfs/dbraw/zinc/85/19/48/658851948.db2.gz SPLAIBYBIIFOQA-NWDGAFQWSA-N 1 3 298.387 -0.563 20 0 CBADHO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN2C)CC[N@@H+](C)C1 ZINC000925432458 658851953 /nfs/dbraw/zinc/85/19/53/658851953.db2.gz SPLAIBYBIIFOQA-NWDGAFQWSA-N 1 3 298.387 -0.563 20 0 CBADHO C[C@@H](CN[C@@H]1C[NH2+]CCOC1)CN1CCOCC1 ZINC000925508978 658856520 /nfs/dbraw/zinc/85/65/20/658856520.db2.gz KSJRMZPAPFLMEP-QWHCGFSZSA-N 1 3 257.378 -0.467 20 0 CBADHO CN1CCN(C(C)(C)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925606597 658861930 /nfs/dbraw/zinc/86/19/30/658861930.db2.gz ONQOVKMVNTUIAW-CYBMUJFWSA-N 1 3 270.421 -0.410 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)n1 ZINC000925717295 658867128 /nfs/dbraw/zinc/86/71/28/658867128.db2.gz SFGGEKNUFOIAOO-PXBLZKCCSA-N 1 3 275.356 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799590944 /nfs/dbraw/zinc/59/09/44/799590944.db2.gz GLQXCKKAIBONRT-ZYHUDNBSSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186029 799590948 /nfs/dbraw/zinc/59/09/48/799590948.db2.gz GLQXCKKAIBONRT-ZYHUDNBSSA-N 1 3 255.362 -0.633 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001032185831 799591051 /nfs/dbraw/zinc/59/10/51/799591051.db2.gz CWHYALKDGPPXBG-LBPRGKRZSA-N 1 3 255.362 -0.632 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001032185831 799591053 /nfs/dbraw/zinc/59/10/53/799591053.db2.gz CWHYALKDGPPXBG-LBPRGKRZSA-N 1 3 255.362 -0.632 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCCO)C1 ZINC001033660059 799777677 /nfs/dbraw/zinc/77/76/77/799777677.db2.gz HCQDLXUZGJEKII-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCCO)C1 ZINC001033660059 799777681 /nfs/dbraw/zinc/77/76/81/799777681.db2.gz HCQDLXUZGJEKII-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(CCO)C1 ZINC001034014817 799805768 /nfs/dbraw/zinc/80/57/68/799805768.db2.gz DRPRWWRVNXOEHD-CYBMUJFWSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035014634 799864137 /nfs/dbraw/zinc/86/41/37/799864137.db2.gz ZQPYBAWJKMSZHF-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035853499 799965222 /nfs/dbraw/zinc/96/52/22/799965222.db2.gz XYGOFPRDWDZJAZ-CYBMUJFWSA-N 1 3 281.400 -0.145 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035853499 799965227 /nfs/dbraw/zinc/96/52/27/799965227.db2.gz XYGOFPRDWDZJAZ-CYBMUJFWSA-N 1 3 281.400 -0.145 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCO ZINC001036194857 799982823 /nfs/dbraw/zinc/98/28/23/799982823.db2.gz SICKTCAPXPONIB-ZYHUDNBSSA-N 1 3 266.345 -0.229 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036829632 800009115 /nfs/dbraw/zinc/00/91/15/800009115.db2.gz ITZMUMKAJVXJKA-DGCLKSJQSA-N 1 3 278.356 -0.133 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036829632 800009122 /nfs/dbraw/zinc/00/91/22/800009122.db2.gz ITZMUMKAJVXJKA-DGCLKSJQSA-N 1 3 278.356 -0.133 20 0 CBADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001038628109 801229814 /nfs/dbraw/zinc/22/98/14/801229814.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001038628109 801229820 /nfs/dbraw/zinc/22/98/20/801229820.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CCCO)C1 ZINC001038628109 801229824 /nfs/dbraw/zinc/22/98/24/801229824.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CCCO)C1 ZINC001038628109 801229826 /nfs/dbraw/zinc/22/98/26/801229826.db2.gz NDPJRFBTIHLCPY-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCC1 ZINC001044858273 801672890 /nfs/dbraw/zinc/67/28/90/801672890.db2.gz QZNKEZPLCQHCDJ-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCC1 ZINC001044858270 801673337 /nfs/dbraw/zinc/67/33/37/801673337.db2.gz QZNKEZPLCQHCDJ-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(CCO)C1 ZINC001046317038 801751897 /nfs/dbraw/zinc/75/18/97/801751897.db2.gz DSMPDBBVEWFALZ-DZGCQCFKSA-N 1 3 281.400 -0.099 20 0 CBADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C1CCC1 ZINC001048864760 801976799 /nfs/dbraw/zinc/97/67/99/801976799.db2.gz OQBHYDRUCZNVDY-BETUJISGSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C1CCC1 ZINC001048864760 801976800 /nfs/dbraw/zinc/97/68/00/801976800.db2.gz OQBHYDRUCZNVDY-BETUJISGSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049083895 801997690 /nfs/dbraw/zinc/99/76/90/801997690.db2.gz YHVZXEHEWKDOEA-UTUOFQBUSA-N 1 3 278.356 -0.277 20 0 CBADHO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049083895 801997691 /nfs/dbraw/zinc/99/76/91/801997691.db2.gz YHVZXEHEWKDOEA-UTUOFQBUSA-N 1 3 278.356 -0.277 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001054296980 802333012 /nfs/dbraw/zinc/33/30/12/802333012.db2.gz ZVMHWDAPSPBQDS-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054736538 802367194 /nfs/dbraw/zinc/36/71/94/802367194.db2.gz KJMURTVEGBWHCL-CMPLNLGQSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054742359 802368099 /nfs/dbraw/zinc/36/80/99/802368099.db2.gz ZDFHOEDDNJXZTP-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001054968565 802382562 /nfs/dbraw/zinc/38/25/62/802382562.db2.gz KCZDILWIFHEBSW-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121935011 813091506 /nfs/dbraw/zinc/09/15/06/813091506.db2.gz BZULPRBTGHHMLE-UHFFFAOYSA-N 1 3 296.415 -0.170 20 0 CBADHO COCC[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC001122400345 813160322 /nfs/dbraw/zinc/16/03/22/813160322.db2.gz AOOZQBNHZUSJNZ-RKDXNWHRSA-N 1 3 265.304 -0.194 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426511 813164206 /nfs/dbraw/zinc/16/42/06/813164206.db2.gz IIOPMJNTNNFQHS-ZJUUUORDSA-N 1 3 263.345 -0.122 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329530 813837515 /nfs/dbraw/zinc/83/75/15/813837515.db2.gz YDNFHLSTJVEPSX-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329530 813837527 /nfs/dbraw/zinc/83/75/27/813837527.db2.gz YDNFHLSTJVEPSX-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001129341802 813838426 /nfs/dbraw/zinc/83/84/26/813838426.db2.gz ZQMUBAHYZPVPAB-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001129341802 813838435 /nfs/dbraw/zinc/83/84/35/813838435.db2.gz ZQMUBAHYZPVPAB-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO CCCC[C@@H](NCCNC(=O)CC[NH+](C)C)C(N)=O ZINC001133291513 814237796 /nfs/dbraw/zinc/23/77/96/814237796.db2.gz SSUIVUQBHBHCGE-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133294457 814237881 /nfs/dbraw/zinc/23/78/81/814237881.db2.gz JSQAZFVWUFJEAJ-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133294758 814237892 /nfs/dbraw/zinc/23/78/92/814237892.db2.gz SDFNBIYKRMFDFF-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294277 814237925 /nfs/dbraw/zinc/23/79/25/814237925.db2.gz AMLHNXCIZUKFDD-VXGBXAGGSA-N 1 3 286.420 -0.053 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294359 814238050 /nfs/dbraw/zinc/23/80/50/814238050.db2.gz FMRODBMNSIVZLW-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148360639 814941958 /nfs/dbraw/zinc/94/19/58/814941958.db2.gz YNLKMWXHTFIUBH-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001148578962 814950479 /nfs/dbraw/zinc/95/04/79/814950479.db2.gz XWWQXGWHZUANLL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001148578962 814950481 /nfs/dbraw/zinc/95/04/81/814950481.db2.gz XWWQXGWHZUANLL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001148573747 814950554 /nfs/dbraw/zinc/95/05/54/814950554.db2.gz YDNAKNIRGSJQOR-LLVKDONJSA-N 1 3 298.387 -0.771 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001148573747 814950561 /nfs/dbraw/zinc/95/05/61/814950561.db2.gz YDNAKNIRGSJQOR-LLVKDONJSA-N 1 3 298.387 -0.771 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](CC)C(N)=O ZINC001148577867 814951412 /nfs/dbraw/zinc/95/14/12/814951412.db2.gz HEHPSFZCISNLTP-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](CC)C(N)=O ZINC001148577867 814951416 /nfs/dbraw/zinc/95/14/16/814951416.db2.gz HEHPSFZCISNLTP-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001148642446 814954320 /nfs/dbraw/zinc/95/43/20/814954320.db2.gz JFGLOQWTLJNJBS-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001148642030 814954587 /nfs/dbraw/zinc/95/45/87/814954587.db2.gz CDJYYEHLZAWISL-GFCCVEGCSA-N 1 3 294.403 -0.187 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001148642876 814954626 /nfs/dbraw/zinc/95/46/26/814954626.db2.gz OYXXSORCVYYVOB-UHFFFAOYSA-N 1 3 285.392 -0.941 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(N)=O)[NH+](C)C ZINC001321637346 803794010 /nfs/dbraw/zinc/79/40/10/803794010.db2.gz MXVURHKCBPMDJN-MWLCHTKSSA-N 1 3 258.366 -0.848 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001322683602 803927617 /nfs/dbraw/zinc/92/76/17/803927617.db2.gz SICWTMKPQMBDSE-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001325414257 804285794 /nfs/dbraw/zinc/28/57/94/804285794.db2.gz UEYUUMIAMDXOAF-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001325414256 804286054 /nfs/dbraw/zinc/28/60/54/804286054.db2.gz UEYUUMIAMDXOAF-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO C[NH+](C)[C@H](C(=O)NC[C@@H]1CN(CCO)CCCO1)C1CC1 ZINC001149842513 815011875 /nfs/dbraw/zinc/01/18/75/815011875.db2.gz VUFQXHWGMDAFGU-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150193479 815020893 /nfs/dbraw/zinc/02/08/93/815020893.db2.gz OKFYBKPCZVCOHV-ZDUSSCGKSA-N 1 3 287.404 -0.472 20 0 CBADHO Cn1cncc1CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049444 815054841 /nfs/dbraw/zinc/05/48/41/815054841.db2.gz OZFIBAPQYUDEID-NSHDSACASA-N 1 3 265.361 -0.422 20 0 CBADHO Cn1cncc1CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049444 815054848 /nfs/dbraw/zinc/05/48/48/815054848.db2.gz OZFIBAPQYUDEID-NSHDSACASA-N 1 3 265.361 -0.422 20 0 CBADHO CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066982 815056900 /nfs/dbraw/zinc/05/69/00/815056900.db2.gz ZSBNTDRVTZLSGF-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066982 815056908 /nfs/dbraw/zinc/05/69/08/815056908.db2.gz ZSBNTDRVTZLSGF-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049393 815055604 /nfs/dbraw/zinc/05/56/04/815055604.db2.gz NAHKKPCDXMBXOC-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049393 815055606 /nfs/dbraw/zinc/05/56/06/815055606.db2.gz NAHKKPCDXMBXOC-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066153 815056090 /nfs/dbraw/zinc/05/60/90/815056090.db2.gz RBQQVDHDBHKDIP-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066153 815056096 /nfs/dbraw/zinc/05/60/96/815056096.db2.gz RBQQVDHDBHKDIP-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072938 815056557 /nfs/dbraw/zinc/05/65/57/815056557.db2.gz ATSXJPXGJKEMTE-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072938 815056563 /nfs/dbraw/zinc/05/65/63/815056563.db2.gz ATSXJPXGJKEMTE-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066977 815057095 /nfs/dbraw/zinc/05/70/95/815057095.db2.gz ZQEPMEGNYCHMHR-GFCCVEGCSA-N 1 3 284.404 -0.584 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066977 815057101 /nfs/dbraw/zinc/05/71/01/815057101.db2.gz ZQEPMEGNYCHMHR-GFCCVEGCSA-N 1 3 284.404 -0.584 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072939 815057646 /nfs/dbraw/zinc/05/76/46/815057646.db2.gz ATSXJPXGJKEMTE-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072939 815057650 /nfs/dbraw/zinc/05/76/50/815057650.db2.gz ATSXJPXGJKEMTE-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073057 815058158 /nfs/dbraw/zinc/05/81/58/815058158.db2.gz FLOXZFMYCDHRLO-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073057 815058164 /nfs/dbraw/zinc/05/81/64/815058164.db2.gz FLOXZFMYCDHRLO-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073936 815059513 /nfs/dbraw/zinc/05/95/13/815059513.db2.gz SSPBUMNAFYIFML-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073936 815059518 /nfs/dbraw/zinc/05/95/18/815059518.db2.gz SSPBUMNAFYIFML-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151354260 815072658 /nfs/dbraw/zinc/07/26/58/815072658.db2.gz KRTOEHLXQHSRHX-UHFFFAOYSA-N 1 3 284.404 -0.296 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073892022 805424724 /nfs/dbraw/zinc/42/47/24/805424724.db2.gz WTGSQZHUWWLQGE-CHWSQXEVSA-N 1 3 285.388 -0.863 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073892022 805424729 /nfs/dbraw/zinc/42/47/29/805424729.db2.gz WTGSQZHUWWLQGE-CHWSQXEVSA-N 1 3 285.388 -0.863 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C)N(C)C ZINC001074709715 805468176 /nfs/dbraw/zinc/46/81/76/805468176.db2.gz NTRRVHAYRXLFEL-FIQHERPVSA-N 1 3 284.404 -0.221 20 0 CBADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(N)=O ZINC001075108764 805483547 /nfs/dbraw/zinc/48/35/47/805483547.db2.gz KIHIJZKRNQUYDX-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001152138105 815106342 /nfs/dbraw/zinc/10/63/42/815106342.db2.gz RMNBJYHDOCSUDH-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152138135 815106394 /nfs/dbraw/zinc/10/63/94/815106394.db2.gz SGJUTCVHSLKHDP-PHIMTYICSA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152138135 815106396 /nfs/dbraw/zinc/10/63/96/815106396.db2.gz SGJUTCVHSLKHDP-PHIMTYICSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCO ZINC001152145349 815106892 /nfs/dbraw/zinc/10/68/92/815106892.db2.gz BAXAVYDTWCVRQN-TXEJJXNPSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001152149562 815108504 /nfs/dbraw/zinc/10/85/04/815108504.db2.gz YOABEYZGMDOMOZ-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223626 815110742 /nfs/dbraw/zinc/11/07/42/815110742.db2.gz NLIUCFRGPOAGKI-UHFFFAOYSA-N 1 3 270.377 -0.686 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001152432906 815120615 /nfs/dbraw/zinc/12/06/15/815120615.db2.gz QBGDIPLDRZOQKU-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152432577 815121383 /nfs/dbraw/zinc/12/13/83/815121383.db2.gz LNEPYZGTMJVCII-SNVBAGLBSA-N 1 3 258.366 -0.833 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001152446425 815122625 /nfs/dbraw/zinc/12/26/25/815122625.db2.gz YMYMBPFHEHMXAZ-UHFFFAOYSA-N 1 3 298.387 -0.819 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480593 815123990 /nfs/dbraw/zinc/12/39/90/815123990.db2.gz XMXVZTKZUICBIC-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152457710 815124116 /nfs/dbraw/zinc/12/41/16/815124116.db2.gz HJEAQAGHTKOJCG-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152457708 815124271 /nfs/dbraw/zinc/12/42/71/815124271.db2.gz HJEAQAGHTKOJCG-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001152458022 815124318 /nfs/dbraw/zinc/12/43/18/815124318.db2.gz KTYIVQPKKDLNTB-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001152459141 815124441 /nfs/dbraw/zinc/12/44/41/815124441.db2.gz ZSRHLVSQCVHPDY-CYBMUJFWSA-N 1 3 287.404 -0.425 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152457712 815124649 /nfs/dbraw/zinc/12/46/49/815124649.db2.gz HJEAQAGHTKOJCG-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)C[C@@H]1COCCN1c1ncc2c(n1)CCNC2 ZINC001154970966 815255096 /nfs/dbraw/zinc/25/50/96/815255096.db2.gz ZMKBXFZSHNIDTC-GFCCVEGCSA-N 1 3 277.372 -0.111 20 0 CBADHO c1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nnc2c1CNCC2 ZINC001155483132 815286818 /nfs/dbraw/zinc/28/68/18/815286818.db2.gz HKWVWVVHRQGQPS-NQBHXWOUSA-N 1 3 275.356 -0.231 20 0 CBADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791019 815313785 /nfs/dbraw/zinc/31/37/85/815313785.db2.gz QSBPTHUPVLSGJY-ZDUSSCGKSA-N 1 3 294.403 -0.012 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCO ZINC001088984346 810371513 /nfs/dbraw/zinc/37/15/13/810371513.db2.gz VTWLLVOFTBBJBA-NEPJUHHUSA-N 1 3 267.373 -0.347 20 0 CBADHO CC(C)(C(=O)N[C@@H]1CCN(CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001090490661 810508678 /nfs/dbraw/zinc/50/86/78/810508678.db2.gz SUCYSZXOGQHFNB-CHWSQXEVSA-N 1 3 299.415 -0.596 20 0 CBADHO O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731123 810559283 /nfs/dbraw/zinc/55/92/83/810559283.db2.gz PQWLWTMOTVIYOB-OLZOCXBDSA-N 1 3 297.399 -0.984 20 0 CBADHO N=c1cc(C[NH3+])ccn1-c1ncc2c(n1)CCNC2 ZINC001156849965 815385141 /nfs/dbraw/zinc/38/51/41/815385141.db2.gz MSFKKVVHUQPFAR-UHFFFAOYSA-N 1 3 256.313 -0.149 20 0 CBADHO COC(=O)[C@@H](CCC[NH3+])Nc1cc2c(nn1)CCNC2 ZINC001157115898 815406156 /nfs/dbraw/zinc/40/61/56/815406156.db2.gz DKFUSOJBCPACCS-LLVKDONJSA-N 1 3 279.344 -0.185 20 0 CBADHO CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971096 810980533 /nfs/dbraw/zinc/98/05/33/810980533.db2.gz AMCFVGODDGYRRH-NWDGAFQWSA-N 1 3 269.389 -0.101 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974665 810981728 /nfs/dbraw/zinc/98/17/28/810981728.db2.gz SWPZEHSYOKTJCH-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO COCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974667 810981830 /nfs/dbraw/zinc/98/18/30/810981830.db2.gz SWPZEHSYOKTJCH-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099973613 810982777 /nfs/dbraw/zinc/98/27/77/810982777.db2.gz GGXNJOUVKHVCJF-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050098 811005752 /nfs/dbraw/zinc/00/57/52/811005752.db2.gz BXHCDUGSJCXVQN-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050095 811006177 /nfs/dbraw/zinc/00/61/77/811006177.db2.gz BXHCDUGSJCXVQN-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064199 811010100 /nfs/dbraw/zinc/01/01/00/811010100.db2.gz JUMSQCIIPUXPBH-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064199 811010104 /nfs/dbraw/zinc/01/01/04/811010104.db2.gz JUMSQCIIPUXPBH-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064197 811010405 /nfs/dbraw/zinc/01/04/05/811010405.db2.gz JUMSQCIIPUXPBH-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064197 811010409 /nfs/dbraw/zinc/01/04/09/811010409.db2.gz JUMSQCIIPUXPBH-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100067454 811010682 /nfs/dbraw/zinc/01/06/82/811010682.db2.gz RRZZLQOURMOEBX-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100067454 811010684 /nfs/dbraw/zinc/01/06/84/811010684.db2.gz RRZZLQOURMOEBX-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CC1 ZINC001100407952 811057223 /nfs/dbraw/zinc/05/72/23/811057223.db2.gz PEKMMZFUZWLTQH-OCTTZUBCSA-N 1 3 282.388 -0.704 20 0 CBADHO Cn1nncc1CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636693 811069536 /nfs/dbraw/zinc/06/95/36/811069536.db2.gz GHFKSNUDDSDKPH-UHFFFAOYSA-N 1 3 294.403 -0.249 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100770720 811077604 /nfs/dbraw/zinc/07/76/04/811077604.db2.gz LMNXHZBHOFLYFY-UHFFFAOYSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100676862 811071932 /nfs/dbraw/zinc/07/19/32/811071932.db2.gz UNYRYNOAFCUSJS-VOMCLLRMSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCO)C1)N(C)C ZINC001100685768 811072811 /nfs/dbraw/zinc/07/28/11/811072811.db2.gz RSDVBOHDEDXFDS-MCIGGMRASA-N 1 3 257.378 -0.197 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100769349 811078084 /nfs/dbraw/zinc/07/80/84/811078084.db2.gz GCJIQQZSIDVJDJ-VOMCLLRMSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(CN)nc1 ZINC001157351795 815425777 /nfs/dbraw/zinc/42/57/77/815425777.db2.gz BCENVEGCIPBNOI-LBPRGKRZSA-N 1 3 293.371 -0.486 20 0 CBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103550491 811183260 /nfs/dbraw/zinc/18/32/60/811183260.db2.gz SJRZJBQILSNHNS-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103550491 811183270 /nfs/dbraw/zinc/18/32/70/811183270.db2.gz SJRZJBQILSNHNS-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719034 811185118 /nfs/dbraw/zinc/18/51/18/811185118.db2.gz ODZHCPABTTVROU-UPJWGTAASA-N 1 3 296.415 -0.502 20 0 CBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719034 811185125 /nfs/dbraw/zinc/18/51/25/811185125.db2.gz ODZHCPABTTVROU-UPJWGTAASA-N 1 3 296.415 -0.502 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104938044 811213567 /nfs/dbraw/zinc/21/35/67/811213567.db2.gz NLRVYQSACWAYTI-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)N(C)C ZINC001106673861 811312508 /nfs/dbraw/zinc/31/25/08/811312508.db2.gz OAPIEGHXVRJTAW-UPJWGTAASA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCO ZINC001106705153 811315521 /nfs/dbraw/zinc/31/55/21/811315521.db2.gz UKWDLXIBMAVBIT-GHMZBOCLSA-N 1 3 266.345 -0.371 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106783478 811316769 /nfs/dbraw/zinc/31/67/69/811316769.db2.gz RGPPRWKJSXOWCL-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO COCC1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157520969 815440745 /nfs/dbraw/zinc/44/07/45/815440745.db2.gz BVTZHBMHMYVZGC-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO COCC1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157520969 815440750 /nfs/dbraw/zinc/44/07/50/815440750.db2.gz BVTZHBMHMYVZGC-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO N[C@H]1CN(C(=O)c2ccc3c(n2)CC[NH2+]C3)C[C@H]1F ZINC001157560222 815445841 /nfs/dbraw/zinc/44/58/41/815445841.db2.gz QDQXLARBLNGENV-ZJUUUORDSA-N 1 3 264.304 -0.152 20 0 CBADHO CN(Cc1ncccn1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157681429 815452834 /nfs/dbraw/zinc/45/28/34/815452834.db2.gz HQXFSGBXMOHHAN-SNVBAGLBSA-N 1 3 261.329 -0.756 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(F)(C2CC2)C1 ZINC001157704257 815453700 /nfs/dbraw/zinc/45/37/00/815453700.db2.gz WHBRXGGJRZGIEO-VIFPVBQESA-N 1 3 261.366 -0.034 20 0 CBADHO C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCCO1 ZINC001157702868 815454057 /nfs/dbraw/zinc/45/40/57/815454057.db2.gz FDHLKYUYHJSCMI-WDEREUQCSA-N 1 3 253.346 -0.567 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC001157715831 815455276 /nfs/dbraw/zinc/45/52/76/815455276.db2.gz IQTXHSZJUSFRAC-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001157714936 815455654 /nfs/dbraw/zinc/45/56/54/815455654.db2.gz AQFXBQBJKRESLJ-GZMMTYOYSA-N 1 3 293.364 -0.881 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157715830 815455681 /nfs/dbraw/zinc/45/56/81/815455681.db2.gz IQTXHSZJUSFRAC-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO N[C@@H](C(=O)N1Cc2cncnc2C1)C1CC[NH2+]CC1 ZINC001157716521 815455923 /nfs/dbraw/zinc/45/59/23/815455923.db2.gz OYWHFGSYSBNINT-GFCCVEGCSA-N 1 3 261.329 -0.354 20 0 CBADHO N[C@H](C(=O)N1CCC[C@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729652 815456883 /nfs/dbraw/zinc/45/68/83/815456883.db2.gz CTSCARQBWVLJTP-JQWIXIFHSA-N 1 3 271.336 -0.157 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157729669 815458001 /nfs/dbraw/zinc/45/80/01/815458001.db2.gz CWXFBGYNHSUNGW-BDAKNGLRSA-N 1 3 297.371 -0.376 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157730813 815459496 /nfs/dbraw/zinc/45/94/96/815459496.db2.gz PLCHXSABUUALTN-AAEUAGOBSA-N 1 3 283.351 -0.041 20 0 CBADHO N[C@H](C(=O)N1C[C@H](CO)C[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157730941 815459518 /nfs/dbraw/zinc/45/95/18/815459518.db2.gz PWEIEUJTLCOBPS-USWWRNFRSA-N 1 3 273.352 -0.508 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157755082 815462823 /nfs/dbraw/zinc/46/28/23/815462823.db2.gz NMUWFOGZOIDJEO-KWBADKCTSA-N 1 3 288.367 -0.482 20 0 CBADHO [NH3+]C[C@]1(F)CCN(c2ncc3c(n2)CCNC3)C1 ZINC001157813293 815469742 /nfs/dbraw/zinc/46/97/42/815469742.db2.gz PWMGKCVZLSBJEE-GFCCVEGCSA-N 1 3 251.309 -0.001 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001157841565 815470458 /nfs/dbraw/zinc/47/04/58/815470458.db2.gz HHUHMNBXWOVGIE-AGIUHOORSA-N 1 3 296.415 -0.088 20 0 CBADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157856965 815474971 /nfs/dbraw/zinc/47/49/71/815474971.db2.gz YEJWMNJNSXPETI-MXWKQRLJSA-N 1 3 275.418 -0.375 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900686 815477541 /nfs/dbraw/zinc/47/75/41/815477541.db2.gz PDZBKODAJAIYKH-ZJUUUORDSA-N 1 3 279.331 -0.081 20 0 CBADHO COC(=O)c1nccnc1NC(=N)N1CCN(C)CC1 ZINC001157914551 815481747 /nfs/dbraw/zinc/48/17/47/815481747.db2.gz HVWZFOFZOBAGPR-UHFFFAOYSA-N 1 3 278.316 -0.143 20 0 CBADHO C[NH+]1CCN(C(=N)Nc2nc(Cl)ncc2C(N)=O)CC1 ZINC001157914330 815481941 /nfs/dbraw/zinc/48/19/41/815481941.db2.gz BTAZPPVEVDLVDP-UHFFFAOYSA-N 1 3 297.750 -0.177 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@](C)(CO)C1 ZINC001157925597 815483112 /nfs/dbraw/zinc/48/31/12/815483112.db2.gz MQBHYDPNLNUZHV-SMDDNHRTSA-N 1 3 281.400 -0.195 20 0 CBADHO COC[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157922444 815483148 /nfs/dbraw/zinc/48/31/48/815483148.db2.gz ODGUJKNOXMPJTK-NWDGAFQWSA-N 1 3 267.373 -0.177 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934719 815487028 /nfs/dbraw/zinc/48/70/28/815487028.db2.gz NYDCADLFTXEWEZ-FRRDWIJNSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934719 815487034 /nfs/dbraw/zinc/48/70/34/815487034.db2.gz NYDCADLFTXEWEZ-FRRDWIJNSA-N 1 3 297.399 -0.938 20 0 CBADHO N[C@H](C(=O)N1CCNCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157946957 815491016 /nfs/dbraw/zinc/49/10/16/815491016.db2.gz QBJIOFFIMOUNII-JTQLQIEISA-N 1 3 276.331 -0.620 20 0 CBADHO C[C@]1(O)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157997442 815495566 /nfs/dbraw/zinc/49/55/66/815495566.db2.gz OLERDBUAUUOCDT-AAEUAGOBSA-N 1 3 267.373 -0.156 20 0 CBADHO C[C@]1(O)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157997442 815495572 /nfs/dbraw/zinc/49/55/72/815495572.db2.gz OLERDBUAUUOCDT-AAEUAGOBSA-N 1 3 267.373 -0.156 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157997447 815495817 /nfs/dbraw/zinc/49/58/17/815495817.db2.gz OLERDBUAUUOCDT-DGCLKSJQSA-N 1 3 267.373 -0.156 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157997447 815495820 /nfs/dbraw/zinc/49/58/20/815495820.db2.gz OLERDBUAUUOCDT-DGCLKSJQSA-N 1 3 267.373 -0.156 20 0 CBADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159826 815506957 /nfs/dbraw/zinc/50/69/57/815506957.db2.gz FWTJSMIDDWCRDY-OCCSQVGLSA-N 1 3 294.399 -0.939 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N(C)C ZINC001114853917 812164259 /nfs/dbraw/zinc/16/42/59/812164259.db2.gz HXSGVCSUYMFMIX-QNWHQSFQSA-N 1 3 269.389 -0.245 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N(C)C ZINC001114853917 812164264 /nfs/dbraw/zinc/16/42/64/812164264.db2.gz HXSGVCSUYMFMIX-QNWHQSFQSA-N 1 3 269.389 -0.245 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115161805 812183550 /nfs/dbraw/zinc/18/35/50/812183550.db2.gz NBNQADBZFYJMGF-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115161805 812183555 /nfs/dbraw/zinc/18/35/55/812183555.db2.gz NBNQADBZFYJMGF-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170107 815509591 /nfs/dbraw/zinc/50/95/91/815509591.db2.gz VUDSEKRSNKDFGJ-JEOXALJRSA-N 1 3 287.429 -0.173 20 0 CBADHO NC(C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC001158179341 815510862 /nfs/dbraw/zinc/51/08/62/815510862.db2.gz KMRVLSHYLJSOFR-BWZBUEFSSA-N 1 3 267.251 -0.677 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179802 815510958 /nfs/dbraw/zinc/51/09/58/815510958.db2.gz PSXFLDAOFLCUFI-HRDYMLBCSA-N 1 3 263.288 -0.584 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192620 815511367 /nfs/dbraw/zinc/51/13/67/815511367.db2.gz AZIRTPCMMMNFMT-UTLUCORTSA-N 1 3 271.311 -0.091 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC2(C1)CCCO2 ZINC001158240483 815516021 /nfs/dbraw/zinc/51/60/21/815516021.db2.gz LHYWJJLRCQNFIO-VIFPVBQESA-N 1 3 259.375 -0.603 20 0 CBADHO O=C([C@H]1C[NH2+]C[C@H]1O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336009 815520491 /nfs/dbraw/zinc/52/04/91/815520491.db2.gz GDHLZBVRUOUROM-BYNSBNAKSA-N 1 3 287.363 -0.336 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305311 815518472 /nfs/dbraw/zinc/51/84/72/815518472.db2.gz FJMJZMFLUSJLRK-ZDEQEGDKSA-N 1 3 296.415 -0.315 20 0 CBADHO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336008 815520537 /nfs/dbraw/zinc/52/05/37/815520537.db2.gz GDHLZBVRUOUROM-BARDWOONSA-N 1 3 287.363 -0.336 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001158339251 815521321 /nfs/dbraw/zinc/52/13/21/815521321.db2.gz MSIWXSKMSJFPDD-NSHDSACASA-N 1 3 289.383 -0.546 20 0 CBADHO O=C(N1CC[C@@H]2CCO[C@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158340170 815521846 /nfs/dbraw/zinc/52/18/46/815521846.db2.gz ZPLHPOSKEXRETA-GUIRCDHDSA-N 1 3 279.384 -0.177 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158424672 815527889 /nfs/dbraw/zinc/52/78/89/815527889.db2.gz UBZVJBUSTSUGCT-NOHGZBONSA-N 1 3 282.388 -0.561 20 0 CBADHO c1cc(N2CCN3CC[C@@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001158422659 815528440 /nfs/dbraw/zinc/52/84/40/815528440.db2.gz DFXZFQJQAYZJBR-GFCCVEGCSA-N 1 3 274.372 -0.220 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)C1=O ZINC001158424908 815528637 /nfs/dbraw/zinc/52/86/37/815528637.db2.gz URTJFFFRFXZFBQ-TUAOUCFPSA-N 1 3 280.372 -0.711 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567166 815538088 /nfs/dbraw/zinc/53/80/88/815538088.db2.gz FKTJUIFUYOTHIC-MVWJERBFSA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567166 815538090 /nfs/dbraw/zinc/53/80/90/815538090.db2.gz FKTJUIFUYOTHIC-MVWJERBFSA-N 1 3 295.362 -0.185 20 0 CBADHO COCC[C@@H]([NH3+])Cc1cn(C[C@H]2CNCCO2)nn1 ZINC001118917890 812661949 /nfs/dbraw/zinc/66/19/49/812661949.db2.gz PLVMKEMQYIYNDH-ZYHUDNBSSA-N 1 3 269.349 -0.827 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001119240672 812730530 /nfs/dbraw/zinc/73/05/30/812730530.db2.gz XPGLBPQCUMXADN-ZETCQYMHSA-N 1 3 261.276 -0.409 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001119295609 812744028 /nfs/dbraw/zinc/74/40/28/812744028.db2.gz DZGGSHFHYCSDQV-ZDUSSCGKSA-N 1 3 263.345 -0.296 20 0 CBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](C)C[NH3+])CC2 ZINC001158890640 815550532 /nfs/dbraw/zinc/55/05/32/815550532.db2.gz JMDFIJIDEZKLFS-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)NCc1cc(N)ccn1 ZINC001119322416 812754283 /nfs/dbraw/zinc/75/42/83/812754283.db2.gz PUAZCXXBELBOEE-LLVKDONJSA-N 1 3 251.334 -0.441 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119354110 812763874 /nfs/dbraw/zinc/76/38/74/812763874.db2.gz AEHMUXPMLQAVDJ-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001119355742 812765074 /nfs/dbraw/zinc/76/50/74/812765074.db2.gz YKWYEMAUPACODG-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO Nc1ccnc(CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC001119382973 812772693 /nfs/dbraw/zinc/77/26/93/812772693.db2.gz FQEWEIYVJLUUAY-LLVKDONJSA-N 1 3 250.302 -0.342 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001119413844 812777043 /nfs/dbraw/zinc/77/70/43/812777043.db2.gz XLXMCDATWLEXTQ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCCCC1 ZINC001119403638 812777072 /nfs/dbraw/zinc/77/70/72/812777072.db2.gz ZDGACJNBXHTHQL-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCCCC1 ZINC001119403636 812777242 /nfs/dbraw/zinc/77/72/42/812777242.db2.gz ZDGACJNBXHTHQL-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@H]([NH3+])CC(F)F ZINC001119611527 812833197 /nfs/dbraw/zinc/83/31/97/812833197.db2.gz UUYCTWZDDLCGLU-RKDXNWHRSA-N 1 3 265.304 -0.194 20 0 CBADHO COCc1n[nH]c2c1CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159091863 815558899 /nfs/dbraw/zinc/55/88/99/815558899.db2.gz VNAKSCMMKAZBTH-VIFPVBQESA-N 1 3 299.400 -0.583 20 0 CBADHO C(CN1CCOCC1)CN1CCNCC[NH2+]CC1 ZINC001119618461 812835435 /nfs/dbraw/zinc/83/54/35/812835435.db2.gz KVWLZNVDZKUFSY-UHFFFAOYSA-N 1 3 256.394 -0.797 20 0 CBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C2(N)CC2)C1 ZINC001159133929 815560632 /nfs/dbraw/zinc/56/06/32/815560632.db2.gz LDELYYGEKRQIPF-LLVKDONJSA-N 1 3 277.372 -0.106 20 0 CBADHO C[C@@H](N)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132632 815560996 /nfs/dbraw/zinc/56/09/96/815560996.db2.gz BWQLEJVFIQGKMR-MNOVXSKESA-N 1 3 265.361 -0.250 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001120528654 812983122 /nfs/dbraw/zinc/98/31/22/812983122.db2.gz SCYMRGIZKNRTHO-GFCCVEGCSA-N 1 3 298.431 -0.194 20 0 CBADHO O=C(NCCCCCN1CC[NH2+]CC1)N1CCNCC1 ZINC001120564423 812991193 /nfs/dbraw/zinc/99/11/93/812991193.db2.gz HELWCQDFZDGYCJ-UHFFFAOYSA-N 1 3 283.420 -0.323 20 0 CBADHO [NH3+]CCOCCOCCNc1cc2c(nn1)CCNC2 ZINC001159445258 815573617 /nfs/dbraw/zinc/57/36/17/815573617.db2.gz HZEAFNCIEIIRTB-UHFFFAOYSA-N 1 3 281.360 -0.474 20 0 CBADHO CN(C)[C@H](CNC(=O)CNCC[NH3+])c1ccccc1 ZINC001121975357 813099285 /nfs/dbraw/zinc/09/92/85/813099285.db2.gz QYCBOHVHWSDWGE-CYBMUJFWSA-N 1 3 264.373 -0.046 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001121987824 813101906 /nfs/dbraw/zinc/10/19/06/813101906.db2.gz BIXIUWYJUZZAGA-NEPJUHHUSA-N 1 3 267.373 -0.129 20 0 CBADHO CN(C(=O)[C@@H]1CNCCN1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122009952 813104068 /nfs/dbraw/zinc/10/40/68/813104068.db2.gz HFZSDCBUTQDBHI-HNGCFSAESA-N 1 3 266.389 -0.369 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC001122007050 813104080 /nfs/dbraw/zinc/10/40/80/813104080.db2.gz MFGWOENKXUSNEQ-ZDUSSCGKSA-N 1 3 262.357 -0.335 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001122064407 813111529 /nfs/dbraw/zinc/11/15/29/813111529.db2.gz XQLWOQHJNAEGPS-MXWKQRLJSA-N 1 3 253.346 -0.521 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001122075779 813112986 /nfs/dbraw/zinc/11/29/86/813112986.db2.gz NPOYAOKCPJUHNK-NSHDSACASA-N 1 3 252.362 -0.756 20 0 CBADHO [NH3+]C[C@H](O)CNC(=O)c1cc2c(s1)CNCC2 ZINC001122073301 813113133 /nfs/dbraw/zinc/11/31/33/813113133.db2.gz KVGXIYHDKQKIKR-QMMMGPOBSA-N 1 3 255.343 -0.557 20 0 CBADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122076761 813114296 /nfs/dbraw/zinc/11/42/96/813114296.db2.gz FJGRHVYYDVJSGD-WOPDTQHZSA-N 1 3 255.362 -0.444 20 0 CBADHO N[C@@H]1CN(C(=O)c2ccn(CCC[NH3+])n2)CC[C@H]1F ZINC001122077120 813114399 /nfs/dbraw/zinc/11/43/99/813114399.db2.gz LLLZEHJNXVDQCF-NXEZZACHSA-N 1 3 269.324 -0.257 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001122171158 813127004 /nfs/dbraw/zinc/12/70/04/813127004.db2.gz CXNVLFAELANBAS-OPRDCNLKSA-N 1 3 257.334 -0.476 20 0 CBADHO C[NH2+][C@@H](CNC(=O)[C@H](CN)OC)Cc1ccccc1 ZINC001122180631 813128619 /nfs/dbraw/zinc/12/86/19/813128619.db2.gz MAPMXNPYNYVPIB-OLZOCXBDSA-N 1 3 265.357 -0.093 20 0 CBADHO C[NH2+][C@H](CNC(=O)[C@H](CN)OC)Cc1ccccc1 ZINC001122180633 813129114 /nfs/dbraw/zinc/12/91/14/813129114.db2.gz MAPMXNPYNYVPIB-STQMWFEESA-N 1 3 265.357 -0.093 20 0 CBADHO O=C([C@@H]1CNCCC1(F)F)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122189901 813130273 /nfs/dbraw/zinc/13/02/73/813130273.db2.gz LEAKHXIPAFYYMI-GZMMTYOYSA-N 1 3 288.298 -0.773 20 0 CBADHO CCC1([NH3+])CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001122208418 813134160 /nfs/dbraw/zinc/13/41/60/813134160.db2.gz UAPFJHWUPZRTAZ-LLVKDONJSA-N 1 3 254.378 -0.380 20 0 CBADHO CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001122229109 813136236 /nfs/dbraw/zinc/13/62/36/813136236.db2.gz NPEXLWNPKREAIJ-QWRGUYRKSA-N 1 3 255.362 -0.001 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001122237453 813137024 /nfs/dbraw/zinc/13/70/24/813137024.db2.gz ZMFBRAKHDFYJHU-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426510 813163642 /nfs/dbraw/zinc/16/36/42/813163642.db2.gz IIOPMJNTNNFQHS-VHSXEESVSA-N 1 3 263.345 -0.122 20 0 CBADHO N[C@H](CCC[NH3+])Nc1ncccc1C(=O)N1CCNCC1 ZINC001159786523 815596931 /nfs/dbraw/zinc/59/69/31/815596931.db2.gz CPYZKXAEWPYZPL-LBPRGKRZSA-N 1 3 292.387 -0.437 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001159861340 815601502 /nfs/dbraw/zinc/60/15/02/815601502.db2.gz NCZWJDMLQCJQMI-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124867093 813488976 /nfs/dbraw/zinc/48/89/76/813488976.db2.gz RUGUWZLTCQPBSR-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCN2C)C1=O ZINC001124867094 813490125 /nfs/dbraw/zinc/49/01/25/813490125.db2.gz RUGUWZLTCQPBSR-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCN2C)C1=O ZINC001124866770 813490207 /nfs/dbraw/zinc/49/02/07/813490207.db2.gz KNGWCORGEPCMNN-GHMZBOCLSA-N 1 3 268.361 -0.983 20 0 CBADHO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCN2C)C1=O ZINC001124878402 813495301 /nfs/dbraw/zinc/49/53/01/813495301.db2.gz LQWRHIVEWMCQAQ-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066246 813709241 /nfs/dbraw/zinc/70/92/41/813709241.db2.gz KFFDZFSMPSRZFT-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066246 813709246 /nfs/dbraw/zinc/70/92/46/813709246.db2.gz KFFDZFSMPSRZFT-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256007 813721380 /nfs/dbraw/zinc/72/13/80/813721380.db2.gz LVIOJKBCDOUZHS-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256007 813721382 /nfs/dbraw/zinc/72/13/82/813721382.db2.gz LVIOJKBCDOUZHS-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001127474840 813732027 /nfs/dbraw/zinc/73/20/27/813732027.db2.gz PJBPFFGWYAXSCM-ZDUSSCGKSA-N 1 3 294.399 -0.734 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001127695058 813741827 /nfs/dbraw/zinc/74/18/27/813741827.db2.gz ANPJVBJLUGFOJO-SDDRHHMPSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001127695058 813741829 /nfs/dbraw/zinc/74/18/29/813741829.db2.gz ANPJVBJLUGFOJO-SDDRHHMPSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccnn2C)CC[N@@H+]1C ZINC001127685535 813742279 /nfs/dbraw/zinc/74/22/79/813742279.db2.gz RPNVWMBLRDSMSH-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccnn2C)CC[N@H+]1C ZINC001127685535 813742285 /nfs/dbraw/zinc/74/22/85/813742285.db2.gz RPNVWMBLRDSMSH-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)CC)CC[N@@H+]1C ZINC001127691050 813742469 /nfs/dbraw/zinc/74/24/69/813742469.db2.gz ZFPZCMQLMWWRKW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)CC)CC[N@H+]1C ZINC001127691050 813742474 /nfs/dbraw/zinc/74/24/74/813742474.db2.gz ZFPZCMQLMWWRKW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO O=C(NCCNCCF)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779566 813749499 /nfs/dbraw/zinc/74/94/99/813749499.db2.gz OEWKQWQIMHKBSL-WDEREUQCSA-N 1 3 259.325 -0.475 20 0 CBADHO O=C(NCCNCCF)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779566 813749504 /nfs/dbraw/zinc/74/95/04/813749504.db2.gz OEWKQWQIMHKBSL-WDEREUQCSA-N 1 3 259.325 -0.475 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001128778733 813796824 /nfs/dbraw/zinc/79/68/24/813796824.db2.gz LEJYNUOOCHKRDO-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001128778733 813796830 /nfs/dbraw/zinc/79/68/30/813796830.db2.gz LEJYNUOOCHKRDO-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001129328231 813836727 /nfs/dbraw/zinc/83/67/27/813836727.db2.gz NKMZSZAVRIFZBF-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001129328231 813836737 /nfs/dbraw/zinc/83/67/37/813836737.db2.gz NKMZSZAVRIFZBF-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328403 813836888 /nfs/dbraw/zinc/83/68/88/813836888.db2.gz PIFOSJAMUOFQHN-LBPRGKRZSA-N 1 3 284.404 -0.584 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328403 813836895 /nfs/dbraw/zinc/83/68/95/813836895.db2.gz PIFOSJAMUOFQHN-LBPRGKRZSA-N 1 3 284.404 -0.584 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001129435908 813842980 /nfs/dbraw/zinc/84/29/80/813842980.db2.gz JWXCZUYXDVBCNL-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(N)=O ZINC001129422725 813843413 /nfs/dbraw/zinc/84/34/13/813843413.db2.gz LHNSRPVMRUNBDN-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(N)=O ZINC001129422725 813843421 /nfs/dbraw/zinc/84/34/21/813843421.db2.gz LHNSRPVMRUNBDN-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001129443617 813844564 /nfs/dbraw/zinc/84/45/64/813844564.db2.gz LBQAEGYDWPXZNS-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCn1cccn1)C1CC1 ZINC001129443334 813844583 /nfs/dbraw/zinc/84/45/83/813844583.db2.gz IXWOSFJHQWTSAJ-ZDUSSCGKSA-N 1 3 279.388 -0.071 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001129437179 813844859 /nfs/dbraw/zinc/84/48/59/813844859.db2.gz WUYUZVCKNFDSRY-VXGBXAGGSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001129444676 813845772 /nfs/dbraw/zinc/84/57/72/813845772.db2.gz WZIUOSDNIDLEOW-CMPLNLGQSA-N 1 3 284.404 -0.491 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001129535401 813849325 /nfs/dbraw/zinc/84/93/25/813849325.db2.gz PWLJXPODUIHGGN-LLVKDONJSA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532103 813849895 /nfs/dbraw/zinc/84/98/95/813849895.db2.gz RFNOZPFIVCPBBE-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)C1CCC1 ZINC001129532357 813850241 /nfs/dbraw/zinc/85/02/41/813850241.db2.gz YZSKYYARGRGPKM-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532102 813850859 /nfs/dbraw/zinc/85/08/59/813850859.db2.gz RFNOZPFIVCPBBE-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129842033 813870026 /nfs/dbraw/zinc/87/00/26/813870026.db2.gz RZAZYBZEOXHFHO-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129842033 813870034 /nfs/dbraw/zinc/87/00/34/813870034.db2.gz RZAZYBZEOXHFHO-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001129842034 813871205 /nfs/dbraw/zinc/87/12/05/813871205.db2.gz RZAZYBZEOXHFHO-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001129842034 813871215 /nfs/dbraw/zinc/87/12/15/813871215.db2.gz RZAZYBZEOXHFHO-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129841020 813871673 /nfs/dbraw/zinc/87/16/73/813871673.db2.gz LLTHKXAPHFHRHB-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129841020 813871681 /nfs/dbraw/zinc/87/16/81/813871681.db2.gz LLTHKXAPHFHRHB-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N1CCCC1)[NH+](C)C ZINC001129946961 813882876 /nfs/dbraw/zinc/88/28/76/813882876.db2.gz BYLZAUUKGVRBOU-AWEZNQCLSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947240 813883201 /nfs/dbraw/zinc/88/32/01/813883201.db2.gz QGFXMHLHHRMTBL-ZDUSSCGKSA-N 1 3 286.420 -0.243 20 0 CBADHO CC[C@@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130173197 813914412 /nfs/dbraw/zinc/91/44/12/813914412.db2.gz BBOWFNRNWZUGTR-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001130200965 813915965 /nfs/dbraw/zinc/91/59/65/813915965.db2.gz RCUFQNAKCJORQQ-LLVKDONJSA-N 1 3 298.387 -0.819 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)N(C)C ZINC001130201016 813916173 /nfs/dbraw/zinc/91/61/73/813916173.db2.gz SLZAXURYEGMLPW-ZYHUDNBSSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001130203195 813918256 /nfs/dbraw/zinc/91/82/56/813918256.db2.gz IPYIPPUWCVGGOI-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCn1cncn1)N(C)C ZINC001130205047 813919072 /nfs/dbraw/zinc/91/90/72/813919072.db2.gz FDEZZGFLGCYOHV-LLVKDONJSA-N 1 3 268.365 -0.676 20 0 CBADHO CC[C@@H](NCCNC(=O)C(C)(C)[N@H+](C)CC)C(N)=O ZINC001130427596 813938118 /nfs/dbraw/zinc/93/81/18/813938118.db2.gz NVWWZSNYKPBROI-SNVBAGLBSA-N 1 3 272.393 -0.314 20 0 CBADHO CC[C@@H](NCCNC(=O)C(C)(C)[N@@H+](C)CC)C(N)=O ZINC001130427596 813938126 /nfs/dbraw/zinc/93/81/26/813938126.db2.gz NVWWZSNYKPBROI-SNVBAGLBSA-N 1 3 272.393 -0.314 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001130421814 813938791 /nfs/dbraw/zinc/93/87/91/813938791.db2.gz KBZDBKQVXZGKNE-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001130421814 813938797 /nfs/dbraw/zinc/93/87/97/813938797.db2.gz KBZDBKQVXZGKNE-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001130421767 813939062 /nfs/dbraw/zinc/93/90/62/813939062.db2.gz IVZWUWYXFZGSTF-VIFPVBQESA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001130421767 813939068 /nfs/dbraw/zinc/93/90/68/813939068.db2.gz IVZWUWYXFZGSTF-VIFPVBQESA-N 1 3 258.366 -0.704 20 0 CBADHO COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522136 814036971 /nfs/dbraw/zinc/03/69/71/814036971.db2.gz UFYDBWWEADTXPN-SDFYHXNISA-N 1 3 297.399 -0.410 20 0 CBADHO CCOCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131525784 814037410 /nfs/dbraw/zinc/03/74/10/814037410.db2.gz KCXSKIZFGHEACB-OWYJLGKBSA-N 1 3 297.399 -0.408 20 0 CBADHO CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520232 814038328 /nfs/dbraw/zinc/03/83/28/814038328.db2.gz VOGAGUHAPIEIMD-KLNSDEMFSA-N 1 3 297.399 -0.410 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790097 814069051 /nfs/dbraw/zinc/06/90/51/814069051.db2.gz GAHDSYCEXLLFAU-AWEZNQCLSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790106 814069129 /nfs/dbraw/zinc/06/91/29/814069129.db2.gz GEMZGJQLSKAEMQ-ZYHUDNBSSA-N 1 3 282.388 -0.560 20 0 CBADHO O=C(NCCN[C@@H]1CCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790542 814070295 /nfs/dbraw/zinc/07/02/95/814070295.db2.gz PCJSOJOOIKYWIY-OLZOCXBDSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH+](C)C1(CC(=O)NCCN[C@H]2CCNC2=O)CCCC1 ZINC001131836901 814073697 /nfs/dbraw/zinc/07/36/97/814073697.db2.gz GEXNOGCCOOYIMQ-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(N)=O ZINC001131840815 814074115 /nfs/dbraw/zinc/07/41/15/814074115.db2.gz VQWQIYGLPCYARJ-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132283886 814120005 /nfs/dbraw/zinc/12/00/05/814120005.db2.gz NAOMOFDDTTWJKV-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCO ZINC001132279407 814120495 /nfs/dbraw/zinc/12/04/95/814120495.db2.gz WSQBZLGGYDHRGA-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001132995483 814207714 /nfs/dbraw/zinc/20/77/14/814207714.db2.gz VCZVOZBKCAHRRF-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO Cn1cc(CNCCNC(=O)CCC[NH+](C)C)cn1 ZINC001133040622 814211514 /nfs/dbraw/zinc/21/15/14/814211514.db2.gz ZZZKFCPAMYTESC-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133048293 814212298 /nfs/dbraw/zinc/21/22/98/814212298.db2.gz RCMLBULOVVDJLR-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133288522 814235754 /nfs/dbraw/zinc/23/57/54/814235754.db2.gz YTBFEJDHYOMGGV-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133288470 814236253 /nfs/dbraw/zinc/23/62/53/814236253.db2.gz XLPMSWMYSLCQHA-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133281817 814236490 /nfs/dbraw/zinc/23/64/90/814236490.db2.gz NPNYIGKDNSTLIG-SNVBAGLBSA-N 1 3 270.377 -0.832 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281583 814236519 /nfs/dbraw/zinc/23/65/19/814236519.db2.gz CXVFIRUEYJTCEF-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)[NH+](CC)CC ZINC001133684974 814288021 /nfs/dbraw/zinc/28/80/21/814288021.db2.gz OEJJOTWHNVQIER-MNOVXSKESA-N 1 3 272.393 -0.314 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684094 814288452 /nfs/dbraw/zinc/28/84/52/814288452.db2.gz CSQFKCORJVQKKI-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N(C)C ZINC001133819524 814300092 /nfs/dbraw/zinc/30/00/92/814300092.db2.gz FHYRYXUXEOUJDG-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N(C)C ZINC001133819524 814300102 /nfs/dbraw/zinc/30/01/02/814300102.db2.gz FHYRYXUXEOUJDG-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833904 814301477 /nfs/dbraw/zinc/30/14/77/814301477.db2.gz JGGMHRZCUBLNQP-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833904 814301487 /nfs/dbraw/zinc/30/14/87/814301487.db2.gz JGGMHRZCUBLNQP-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001133845513 814306394 /nfs/dbraw/zinc/30/63/94/814306394.db2.gz HPYNFSAJQJATOG-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849639 814306460 /nfs/dbraw/zinc/30/64/60/814306460.db2.gz BDEMDBSMUUICQZ-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849639 814306469 /nfs/dbraw/zinc/30/64/69/814306469.db2.gz BDEMDBSMUUICQZ-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845575 814306724 /nfs/dbraw/zinc/30/67/24/814306724.db2.gz IWSYTKNKRRBIPI-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845575 814306733 /nfs/dbraw/zinc/30/67/33/814306733.db2.gz IWSYTKNKRRBIPI-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845956 814307047 /nfs/dbraw/zinc/30/70/47/814307047.db2.gz QMFKTSRWTIYAFE-RYUDHWBXSA-N 1 3 273.377 -0.959 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001133846037 814307697 /nfs/dbraw/zinc/30/76/97/814307697.db2.gz SEMVUIUGNBIVAK-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001133846037 814307707 /nfs/dbraw/zinc/30/77/07/814307707.db2.gz SEMVUIUGNBIVAK-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001133850374 814308072 /nfs/dbraw/zinc/30/80/72/814308072.db2.gz LOSWSKMPENXIKV-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001133850374 814308082 /nfs/dbraw/zinc/30/80/82/814308082.db2.gz LOSWSKMPENXIKV-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001133849731 814308445 /nfs/dbraw/zinc/30/84/45/814308445.db2.gz COWYZOGESBBCIU-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001133849731 814308454 /nfs/dbraw/zinc/30/84/54/814308454.db2.gz COWYZOGESBBCIU-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846154 814308755 /nfs/dbraw/zinc/30/87/55/814308755.db2.gz VBYAPRJMSRRICS-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846154 814308764 /nfs/dbraw/zinc/30/87/64/814308764.db2.gz VBYAPRJMSRRICS-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870429 814317519 /nfs/dbraw/zinc/31/75/19/814317519.db2.gz SZBSYMFYEQRGKZ-STQMWFEESA-N 1 3 298.431 -0.194 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870429 814317527 /nfs/dbraw/zinc/31/75/27/814317527.db2.gz SZBSYMFYEQRGKZ-STQMWFEESA-N 1 3 298.431 -0.194 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870146 814318871 /nfs/dbraw/zinc/31/88/71/814318871.db2.gz QPZPZCMCTCWMRG-RYUDHWBXSA-N 1 3 284.404 -0.586 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870146 814318880 /nfs/dbraw/zinc/31/88/80/814318880.db2.gz QPZPZCMCTCWMRG-RYUDHWBXSA-N 1 3 284.404 -0.586 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001133896649 814319876 /nfs/dbraw/zinc/31/98/76/814319876.db2.gz MSZSTNCMESZTDN-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896292 814320376 /nfs/dbraw/zinc/32/03/76/814320376.db2.gz HDVFWFMYHKUZRQ-GFCCVEGCSA-N 1 3 287.404 -0.569 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCO)C1 ZINC001133896291 814321035 /nfs/dbraw/zinc/32/10/35/814321035.db2.gz HAMORJNGZOJMTK-UHFFFAOYSA-N 1 3 257.378 -0.194 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001133908051 814322726 /nfs/dbraw/zinc/32/27/26/814322726.db2.gz FRINXHMAAMUDOS-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001133966200 814330552 /nfs/dbraw/zinc/33/05/52/814330552.db2.gz XGASLICBBWZNQT-UWVGGRQHSA-N 1 3 258.366 -0.833 20 0 CBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159917078 815605023 /nfs/dbraw/zinc/60/50/23/815605023.db2.gz UJNCELVOBVQKTE-AWEZNQCLSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001159917508 815605066 /nfs/dbraw/zinc/60/50/66/815605066.db2.gz XYGOLOXAXIOGBT-NWDGAFQWSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001159992052 815606185 /nfs/dbraw/zinc/60/61/85/815606185.db2.gz GMVGPSZGNNJJDJ-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001160003479 815607349 /nfs/dbraw/zinc/60/73/49/815607349.db2.gz QAJHACGRJDLCSD-LBPRGKRZSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001135511548 814480527 /nfs/dbraw/zinc/48/05/27/814480527.db2.gz SFBHOWJTUVOXTA-NSHDSACASA-N 1 3 261.366 -0.959 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513320 814480958 /nfs/dbraw/zinc/48/09/58/814480958.db2.gz MNDZROBGDNAYFT-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001135513281 814481065 /nfs/dbraw/zinc/48/10/65/814481065.db2.gz KQZQQBFWGVSGGT-GFCCVEGCSA-N 1 3 294.403 -0.187 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001135513758 814481451 /nfs/dbraw/zinc/48/14/51/814481451.db2.gz XWTJDVIZMKKBBD-UHFFFAOYSA-N 1 3 293.433 -0.531 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135744211 814516977 /nfs/dbraw/zinc/51/69/77/814516977.db2.gz XVNQCIVLWDKIED-GHMZBOCLSA-N 1 3 272.393 -0.314 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001160427425 815619174 /nfs/dbraw/zinc/61/91/74/815619174.db2.gz RELQQBQIUPKGSD-MNOVXSKESA-N 1 3 272.393 -0.458 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135975734 814542957 /nfs/dbraw/zinc/54/29/57/814542957.db2.gz BNZQDOZMPZJZEG-NEPJUHHUSA-N 1 3 286.420 -0.053 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CNC(=O)C1 ZINC001143305220 814769272 /nfs/dbraw/zinc/76/92/72/814769272.db2.gz QBDPXAPTOHBTMW-SECBINFHSA-N 1 3 269.349 -0.814 20 0 CBADHO CN(CC(=O)N1C[C@H]2CCCN(C)[C@@H]2C1)C(N)=[NH2+] ZINC001144136929 814773343 /nfs/dbraw/zinc/77/33/43/814773343.db2.gz MRIQUGULJVDFGD-NXEZZACHSA-N 1 3 253.350 -0.636 20 0 CBADHO CNC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146355697 814837511 /nfs/dbraw/zinc/83/75/11/814837511.db2.gz BJZDRXNCGWRZJM-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)N(C)C)CC1 ZINC001146384381 814837658 /nfs/dbraw/zinc/83/76/58/814837658.db2.gz PSRZMPAGBAWZRG-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595036 814841371 /nfs/dbraw/zinc/84/13/71/814841371.db2.gz WORPSIKWQBGMCP-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001146719999 814845782 /nfs/dbraw/zinc/84/57/82/814845782.db2.gz ZZDVIJLPDRXHGN-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001146719999 814845788 /nfs/dbraw/zinc/84/57/88/814845788.db2.gz ZZDVIJLPDRXHGN-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001146719215 814846049 /nfs/dbraw/zinc/84/60/49/814846049.db2.gz LBKHMKBRWYRSJD-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001146719215 814846056 /nfs/dbraw/zinc/84/60/56/814846056.db2.gz LBKHMKBRWYRSJD-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(=O)[nH]n1 ZINC001146990450 814862765 /nfs/dbraw/zinc/86/27/65/814862765.db2.gz OEDPMKXBTQSSSK-UHFFFAOYSA-N 1 3 280.332 -0.140 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001147826241 814918296 /nfs/dbraw/zinc/91/82/96/814918296.db2.gz SXUYEFDNZLVHSS-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878221 814922350 /nfs/dbraw/zinc/92/23/50/814922350.db2.gz VKYXNELTLASSHE-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878221 814922356 /nfs/dbraw/zinc/92/23/56/814922356.db2.gz VKYXNELTLASSHE-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001159915001 815604304 /nfs/dbraw/zinc/60/43/04/815604304.db2.gz FUQGLFMSRHBKRJ-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001160428287 815621352 /nfs/dbraw/zinc/62/13/52/815621352.db2.gz YVLHHBYGKLGXGL-RYUDHWBXSA-N 1 3 286.420 -0.068 20 0 CBADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2COC3(CNC3)CN2)cc1 ZINC001160443107 815622340 /nfs/dbraw/zinc/62/23/40/815622340.db2.gz DTOUGVHJSGXHEK-CYBMUJFWSA-N 1 3 290.367 -0.325 20 0 CBADHO NC[C@H](N)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461303 815625452 /nfs/dbraw/zinc/62/54/52/815625452.db2.gz MSXMBGURSVGLOO-RYUDHWBXSA-N 1 3 254.378 -0.251 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(C1)OCCO2 ZINC001160471483 815626631 /nfs/dbraw/zinc/62/66/31/815626631.db2.gz ZPXPSTOVUPVKIR-LBPRGKRZSA-N 1 3 295.383 -0.164 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(C1)OCCO2 ZINC001160471483 815626638 /nfs/dbraw/zinc/62/66/38/815626638.db2.gz ZPXPSTOVUPVKIR-LBPRGKRZSA-N 1 3 295.383 -0.164 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCNC(=O)C1(C)C ZINC001160477912 815628397 /nfs/dbraw/zinc/62/83/97/815628397.db2.gz HNWZZLKLLOSSBX-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1CCOCC1 ZINC001160493701 815630170 /nfs/dbraw/zinc/63/01/70/815630170.db2.gz OVIXYHLNUWYSGM-LBPRGKRZSA-N 1 3 267.373 -0.177 20 0 CBADHO CC[NH+]1CCC(N(C)C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001160538320 815634058 /nfs/dbraw/zinc/63/40/58/815634058.db2.gz VXMQZOIKPFPKDL-ZDUSSCGKSA-N 1 3 296.415 -0.741 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160548399 815636045 /nfs/dbraw/zinc/63/60/45/815636045.db2.gz FQDPAZWYQIVNQF-MNOVXSKESA-N 1 3 270.377 -0.621 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160571212 815638478 /nfs/dbraw/zinc/63/84/78/815638478.db2.gz RFJPIMUQZKPCLO-NSHDSACASA-N 1 3 278.360 -0.809 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160564041 815639013 /nfs/dbraw/zinc/63/90/13/815639013.db2.gz CDKKLYAHGGHJIB-LBPRGKRZSA-N 1 3 263.345 -0.411 20 0 CBADHO CC(C)(C)N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001160578315 815639682 /nfs/dbraw/zinc/63/96/82/815639682.db2.gz VMZFRSBCSLJBPJ-MNOVXSKESA-N 1 3 254.378 -0.382 20 0 CBADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001160580762 815641334 /nfs/dbraw/zinc/64/13/34/815641334.db2.gz AKIUWYVZFHRMPX-GHMZBOCLSA-N 1 3 271.361 -0.003 20 0 CBADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001160580764 815641813 /nfs/dbraw/zinc/64/18/13/815641813.db2.gz AKIUWYVZFHRMPX-QWRGUYRKSA-N 1 3 271.361 -0.003 20 0 CBADHO CCOC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160597111 815643561 /nfs/dbraw/zinc/64/35/61/815643561.db2.gz ZIRLNRALLWDLSC-WDEREUQCSA-N 1 3 287.360 -0.767 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@H](CCO)C1 ZINC001160610935 815645662 /nfs/dbraw/zinc/64/56/62/815645662.db2.gz PHUVCRGSLWHRTD-QWRGUYRKSA-N 1 3 275.418 -0.373 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160638742 815649266 /nfs/dbraw/zinc/64/92/66/815649266.db2.gz ZDCAGVRUEQNZKX-QWRGUYRKSA-N 1 3 298.416 -0.539 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160682189 815655288 /nfs/dbraw/zinc/65/52/88/815655288.db2.gz GNROMZZIXNMKCF-JTQLQIEISA-N 1 3 259.350 -0.336 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001160694361 815658407 /nfs/dbraw/zinc/65/84/07/815658407.db2.gz ABUMKICHHGKSRC-LIBAHTEVSA-N 1 3 275.418 -0.460 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001160694360 815658763 /nfs/dbraw/zinc/65/87/63/815658763.db2.gz ABUMKICHHGKSRC-LDLUMPKVSA-N 1 3 275.418 -0.460 20 0 CBADHO Cn1cnnc1C1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160704148 815660849 /nfs/dbraw/zinc/66/08/49/815660849.db2.gz HOJHLUIBIKMRTJ-NSHDSACASA-N 1 3 280.376 -0.413 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718682 815663777 /nfs/dbraw/zinc/66/37/77/815663777.db2.gz QMNRPCXOGGOKSL-NSHDSACASA-N 1 3 266.349 -0.492 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160718137 815664040 /nfs/dbraw/zinc/66/40/40/815664040.db2.gz AYYJOFKUURHMCB-OPQQBVKSSA-N 1 3 269.345 -0.795 20 0 CBADHO N[C@@H](C(=O)N1CCC(n2cnnc2)CC1)C1CC[NH2+]CC1 ZINC001160722669 815664077 /nfs/dbraw/zinc/66/40/77/815664077.db2.gz SADMOFNRAPWABC-CYBMUJFWSA-N 1 3 292.387 -0.232 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(n2ccnc2)CC1 ZINC001160726178 815665761 /nfs/dbraw/zinc/66/57/61/815665761.db2.gz KFJHMUPTNQXDJH-ZDUSSCGKSA-N 1 3 289.383 -0.144 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160786765 815671199 /nfs/dbraw/zinc/67/11/99/815671199.db2.gz IBLLWGFJIXYECC-RYUDHWBXSA-N 1 3 297.374 -0.085 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001160837254 815675993 /nfs/dbraw/zinc/67/59/93/815675993.db2.gz GQOPZEKQCRUPEG-RYUDHWBXSA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H](N)CC(F)F ZINC001160837514 815676159 /nfs/dbraw/zinc/67/61/59/815676159.db2.gz AMYDUYWITNNDCS-BDAKNGLRSA-N 1 3 265.304 -0.242 20 0 CBADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160833922 815676622 /nfs/dbraw/zinc/67/66/22/815676622.db2.gz VFSKHMMMJMSJIK-QWRGUYRKSA-N 1 3 271.361 -0.146 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC)N(C)C ZINC001160883172 815684211 /nfs/dbraw/zinc/68/42/11/815684211.db2.gz GGVBTIUBNULLHZ-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)C)N(C)C ZINC001160883261 815684501 /nfs/dbraw/zinc/68/45/01/815684501.db2.gz JBLLACKFOPFNJL-GFCCVEGCSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC)N(C)C ZINC001160883616 815685102 /nfs/dbraw/zinc/68/51/02/815685102.db2.gz PWVUURLZKNTZIE-NWDGAFQWSA-N 1 3 275.393 -0.570 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001160883847 815685291 /nfs/dbraw/zinc/68/52/91/815685291.db2.gz WKDPVPSMOBWFNZ-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001160890098 815685942 /nfs/dbraw/zinc/68/59/42/815685942.db2.gz UXQZNLCQZOXEGX-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]21 ZINC001160884561 815685917 /nfs/dbraw/zinc/68/59/17/815685917.db2.gz TYBLXJYLZKVJII-WHOHXGKFSA-N 1 3 283.372 -0.290 20 0 CBADHO O=C(N(CCO)CC(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160909393 815686781 /nfs/dbraw/zinc/68/67/81/815686781.db2.gz VDBNBZCHUBGNPQ-MWLCHTKSSA-N 1 3 295.305 -0.431 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915819 815687494 /nfs/dbraw/zinc/68/74/94/815687494.db2.gz NPHKKYJXMIXAGT-NSHDSACASA-N 1 3 287.327 -0.926 20 0 CBADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160941571 815689602 /nfs/dbraw/zinc/68/96/02/815689602.db2.gz MWQJDHBALCDSFL-JOYOIKCWSA-N 1 3 268.361 -0.998 20 0 CBADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160952200 815689615 /nfs/dbraw/zinc/68/96/15/815689615.db2.gz RDICCXHQPKDKQF-NSHDSACASA-N 1 3 284.404 -0.231 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967016 815691954 /nfs/dbraw/zinc/69/19/54/815691954.db2.gz IJMCDPJEEFLYFT-CBAPKCEASA-N 1 3 273.287 -0.526 20 0 CBADHO CCC[C@H](N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000850 815694286 /nfs/dbraw/zinc/69/42/86/815694286.db2.gz VHDHDEFZSSVTGA-QWRGUYRKSA-N 1 3 255.362 -0.171 20 0 CBADHO CN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058530 815704879 /nfs/dbraw/zinc/70/48/79/815704879.db2.gz XGEQWXXAJQKIGC-GRYCIOLGSA-N 1 3 282.388 -0.955 20 0 CBADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161050496 815706044 /nfs/dbraw/zinc/70/60/44/815706044.db2.gz NRWPQQMWJMAABX-NWDGAFQWSA-N 1 3 299.419 -0.297 20 0 CBADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161050496 815706050 /nfs/dbraw/zinc/70/60/50/815706050.db2.gz NRWPQQMWJMAABX-NWDGAFQWSA-N 1 3 299.419 -0.297 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081015 815708602 /nfs/dbraw/zinc/70/86/02/815708602.db2.gz CEFSPSSNKWBEOE-HVNMYJMUSA-N 1 3 278.400 -0.239 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]21 ZINC001161081416 815710235 /nfs/dbraw/zinc/71/02/35/815710235.db2.gz JOIWSQSUSRNVCF-DDHJBXDOSA-N 1 3 253.346 -0.881 20 0 CBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161093449 815714764 /nfs/dbraw/zinc/71/47/64/815714764.db2.gz OKAWAFZFUQROSN-QWRGUYRKSA-N 1 3 287.360 -0.767 20 0 CBADHO CO[C@H](C)C1CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161145458 815721991 /nfs/dbraw/zinc/72/19/91/815721991.db2.gz DPRSEKYXTKGUJX-SCZZXKLOSA-N 1 3 261.391 -0.501 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170600 815724672 /nfs/dbraw/zinc/72/46/72/815724672.db2.gz KNUHUXHDQXSDNA-NWDGAFQWSA-N 1 3 281.360 -0.958 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170604 815725182 /nfs/dbraw/zinc/72/51/82/815725182.db2.gz KNUHUXHDQXSDNA-VXGBXAGGSA-N 1 3 281.360 -0.958 20 0 CBADHO CN(C(=O)[C@@H](N)CCC[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161219370 815728785 /nfs/dbraw/zinc/72/87/85/815728785.db2.gz PMBOTIBYJXVRBV-QWRGUYRKSA-N 1 3 271.361 -0.193 20 0 CBADHO N[C@H](C(=O)N1CCC[C@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235069 815731852 /nfs/dbraw/zinc/73/18/52/815731852.db2.gz MVFOZGZVCNVVHD-STQMWFEESA-N 1 3 292.387 -0.232 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235068 815732424 /nfs/dbraw/zinc/73/24/24/815732424.db2.gz MVFOZGZVCNVVHD-QWHCGFSZSA-N 1 3 292.387 -0.232 20 0 CBADHO CC(C)N(C(=O)[C@H](N)CCCNC(N)=O)[C@H]1CC[NH2+]C1 ZINC001161351278 815745927 /nfs/dbraw/zinc/74/59/27/815745927.db2.gz IKMZOAZUYIKRTL-WDEREUQCSA-N 1 3 285.392 -0.639 20 0 CBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161371133 815747076 /nfs/dbraw/zinc/74/70/76/815747076.db2.gz AYMIJDUQWPLCGV-FZMZJTMJSA-N 1 3 299.371 -0.896 20 0 CBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161373385 815747291 /nfs/dbraw/zinc/74/72/91/815747291.db2.gz PYGBCROARWVPDP-GXFFZTMASA-N 1 3 287.360 -0.767 20 0 CBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161371135 815747609 /nfs/dbraw/zinc/74/76/09/815747609.db2.gz AYMIJDUQWPLCGV-SMDDNHRTSA-N 1 3 299.371 -0.896 20 0 CBADHO NC[C@H](N)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161387269 815748606 /nfs/dbraw/zinc/74/86/06/815748606.db2.gz PMASKYYICDHYRZ-NSHDSACASA-N 1 3 281.335 -0.408 20 0 CBADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@H]3COCCN3)C2)CC1 ZINC001161381664 815749164 /nfs/dbraw/zinc/74/91/64/815749164.db2.gz YUROKFYXXRQNSI-UONOGXRCSA-N 1 3 296.415 -0.611 20 0 CBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)C[C@H]3COCCN3)C2)CC1 ZINC001161381660 815749275 /nfs/dbraw/zinc/74/92/75/815749275.db2.gz YUROKFYXXRQNSI-KBPBESRZSA-N 1 3 296.415 -0.611 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]1C ZINC001161459607 815757184 /nfs/dbraw/zinc/75/71/84/815757184.db2.gz RHKNSFRNDRZZSF-LPEHRKFASA-N 1 3 257.334 -0.680 20 0 CBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]21 ZINC001161481186 815759097 /nfs/dbraw/zinc/75/90/97/815759097.db2.gz CTQZLYZGZYZODZ-FRRDWIJNSA-N 1 3 296.415 -0.088 20 0 CBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)C[C@H](C)O1 ZINC001161497760 815762784 /nfs/dbraw/zinc/76/27/84/815762784.db2.gz CZZIZAICRYGXCH-SCRDCRAPSA-N 1 3 298.431 -0.237 20 0 CBADHO NC(C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C(F)(F)F ZINC001161511092 815765010 /nfs/dbraw/zinc/76/50/10/815765010.db2.gz WJGVDWGHBQKRIJ-PHDIDXHHSA-N 1 3 253.224 -0.938 20 0 CBADHO c1cc2c(nc1N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)OCCNC2 ZINC001163138057 815861538 /nfs/dbraw/zinc/86/15/38/815861538.db2.gz VUEWFMBESWAKAD-IJLUTSLNSA-N 1 3 276.340 -0.038 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)[C@@H]2CCNC2=O)C1 ZINC001316851438 816892589 /nfs/dbraw/zinc/89/25/89/816892589.db2.gz WSEIBLQCLCJCEW-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@@H]2CCNC2=O)C1 ZINC001316851438 816892592 /nfs/dbraw/zinc/89/25/92/816892592.db2.gz WSEIBLQCLCJCEW-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001317115128 816933958 /nfs/dbraw/zinc/93/39/58/816933958.db2.gz KLZKVHBPTADVQP-KXUCPTDWSA-N 1 3 256.350 -0.951 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001317246671 816949141 /nfs/dbraw/zinc/94/91/41/816949141.db2.gz WYMJZVPIVIFUBY-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317290379 816960044 /nfs/dbraw/zinc/96/00/44/816960044.db2.gz ONZABFQCPICTFY-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317290379 816960048 /nfs/dbraw/zinc/96/00/48/816960048.db2.gz ONZABFQCPICTFY-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317290376 816960569 /nfs/dbraw/zinc/96/05/69/816960569.db2.gz ONZABFQCPICTFY-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317290376 816960572 /nfs/dbraw/zinc/96/05/72/816960572.db2.gz ONZABFQCPICTFY-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001317511452 817000734 /nfs/dbraw/zinc/00/07/34/817000734.db2.gz ASXKXQBYCJCJFN-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001317511452 817000736 /nfs/dbraw/zinc/00/07/36/817000736.db2.gz ASXKXQBYCJCJFN-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001319114261 817167322 /nfs/dbraw/zinc/16/73/22/817167322.db2.gz XGCHQRGEQNRWMR-ZYHUDNBSSA-N 1 3 266.345 -0.086 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320892039 817407698 /nfs/dbraw/zinc/40/76/98/817407698.db2.gz XMJXDWXNFLZYRN-NSHDSACASA-N 1 3 270.377 -0.748 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320892039 817407704 /nfs/dbraw/zinc/40/77/04/817407704.db2.gz XMJXDWXNFLZYRN-NSHDSACASA-N 1 3 270.377 -0.748 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892038 817408503 /nfs/dbraw/zinc/40/85/03/817408503.db2.gz XMJXDWXNFLZYRN-LLVKDONJSA-N 1 3 270.377 -0.748 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320892038 817408507 /nfs/dbraw/zinc/40/85/07/817408507.db2.gz XMJXDWXNFLZYRN-LLVKDONJSA-N 1 3 270.377 -0.748 20 0 CBADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921539 817411376 /nfs/dbraw/zinc/41/13/76/817411376.db2.gz MYHXLYYLSHXWDG-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320921539 817411383 /nfs/dbraw/zinc/41/13/83/817411383.db2.gz MYHXLYYLSHXWDG-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001321349735 817487265 /nfs/dbraw/zinc/48/72/65/817487265.db2.gz KZNDDUYWWQAURQ-MVSYMCDOSA-N 1 3 284.404 -0.292 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321418825 817497477 /nfs/dbraw/zinc/49/74/77/817497477.db2.gz JVEWGQKLGVUQOS-AGFGORMFSA-N 1 3 296.415 -0.003 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321418825 817497482 /nfs/dbraw/zinc/49/74/82/817497482.db2.gz JVEWGQKLGVUQOS-AGFGORMFSA-N 1 3 296.415 -0.003 20 0 CBADHO COCCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CCN ZINC001239091141 825586751 /nfs/dbraw/zinc/58/67/51/825586751.db2.gz NWCKBKQWGQEEFY-NSHDSACASA-N 1 3 279.406 -0.635 20 0 CBADHO CCCOC[C@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246017384 825621808 /nfs/dbraw/zinc/62/18/08/825621808.db2.gz ASRQSIVUSLYFOD-OLZOCXBDSA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246017384 825621813 /nfs/dbraw/zinc/62/18/13/825621813.db2.gz ASRQSIVUSLYFOD-OLZOCXBDSA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246017384 825621821 /nfs/dbraw/zinc/62/18/21/825621821.db2.gz ASRQSIVUSLYFOD-OLZOCXBDSA-N 1 3 260.378 -0.050 20 0 CBADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001163822085 819854936 /nfs/dbraw/zinc/85/49/36/819854936.db2.gz RTASLVNNKIDFAS-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO c1nc2c(n1-c1ncnc3c1CCNC3)C[NH2+]CC2 ZINC001164310086 819907196 /nfs/dbraw/zinc/90/71/96/819907196.db2.gz GTSGKILYZIOYOD-UHFFFAOYSA-N 1 3 256.313 -0.046 20 0 CBADHO c1nn(-c2cc(C3C[NH2+]C3)ncn2)c2c1CNCC2 ZINC001165223243 819943393 /nfs/dbraw/zinc/94/33/93/819943393.db2.gz LLXPXHWKFRHKQN-UHFFFAOYSA-N 1 3 256.313 -0.005 20 0 CBADHO Cn1nncc1CNCCCNC(=O)CCC[NH+](C)C ZINC001165367525 819958294 /nfs/dbraw/zinc/95/82/94/819958294.db2.gz YMLFVZJHBVVQJW-UHFFFAOYSA-N 1 3 282.392 -0.247 20 0 CBADHO Cn1ccnc1CNCCCNC(=O)CC[NH+](C)C ZINC001165793817 819983916 /nfs/dbraw/zinc/98/39/16/819983916.db2.gz BITKMXGOYCFTGP-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166634251 820008354 /nfs/dbraw/zinc/00/83/54/820008354.db2.gz RPGZESQLJPBDIT-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627178 820009815 /nfs/dbraw/zinc/00/98/15/820009815.db2.gz RNHLNXKYTXYUTC-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667563 820014571 /nfs/dbraw/zinc/01/45/71/820014571.db2.gz DJOGMNDPKUDXNW-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166668250 820015202 /nfs/dbraw/zinc/01/52/02/820015202.db2.gz WUYYAYAWYMBJOT-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001166678936 820016086 /nfs/dbraw/zinc/01/60/86/820016086.db2.gz ZLIFDQHHMYFQLQ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001166744526 820034989 /nfs/dbraw/zinc/03/49/89/820034989.db2.gz YMMBKTYXHYLDDL-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001166852822 820041351 /nfs/dbraw/zinc/04/13/51/820041351.db2.gz XIIZBARFQYSZAW-MNOVXSKESA-N 1 3 272.393 -0.314 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001166866804 820041469 /nfs/dbraw/zinc/04/14/69/820041469.db2.gz UXQZNLCQZOXEGX-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001166852582 820042605 /nfs/dbraw/zinc/04/26/05/820042605.db2.gz TVWDXMZTBKBSJK-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CNCc1cc(NC2(C(=O)OC)CC[NH2+]CC2)ncn1 ZINC001166930843 820048658 /nfs/dbraw/zinc/04/86/58/820048658.db2.gz FNNAWBXQVNABIN-UHFFFAOYSA-N 1 3 279.344 -0.097 20 0 CBADHO [NH3+]CCc1nnn(-c2ccc3c(n2)OCCNC3)n1 ZINC001167790755 820119511 /nfs/dbraw/zinc/11/95/11/820119511.db2.gz DWZXNYOKJSHTBR-UHFFFAOYSA-N 1 3 261.289 -0.960 20 0 CBADHO CN1CCOc2c1cnnc2NC(=N)NCCCC[NH3+] ZINC001167879024 820125409 /nfs/dbraw/zinc/12/54/09/820125409.db2.gz WRCPUBAXFLAIAJ-UHFFFAOYSA-N 1 3 279.348 -0.020 20 0 CBADHO C[NH+](C)C1CCC(N2CCN(CC(N)=O)CC2)CC1 ZINC001168326627 820156940 /nfs/dbraw/zinc/15/69/40/820156940.db2.gz CQDKDYYJXGLCBY-UHFFFAOYSA-N 1 3 268.405 -0.038 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001168754793 820174601 /nfs/dbraw/zinc/17/46/01/820174601.db2.gz BVOBOLLMLMLITM-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001168756036 820176925 /nfs/dbraw/zinc/17/69/25/820176925.db2.gz UDGKZXRZJRKHIT-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001168763491 820180002 /nfs/dbraw/zinc/18/00/02/820180002.db2.gz OHXADWLNBMQKPZ-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO NCc1cnnn1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001169310933 820226784 /nfs/dbraw/zinc/22/67/84/820226784.db2.gz OFDSTVNBVYJNJE-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO CNCc1cc(NCCOCCOCC[NH3+])ncn1 ZINC001170506933 820297557 /nfs/dbraw/zinc/29/75/57/820297557.db2.gz FEOMMHFGZRWQIR-UHFFFAOYSA-N 1 3 269.349 -0.400 20 0 CBADHO C[C@@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001170557515 820306750 /nfs/dbraw/zinc/30/67/50/820306750.db2.gz CKBWQPWMNAQMSS-NEPJUHHUSA-N 1 3 292.387 -0.325 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1cc(CNC)ncn1 ZINC001170993429 820341439 /nfs/dbraw/zinc/34/14/39/820341439.db2.gz YRQFLUNEBCXCNI-UHFFFAOYSA-N 1 3 267.333 -0.476 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001171762350 820369423 /nfs/dbraw/zinc/36/94/23/820369423.db2.gz AGXQMYADKPYHQQ-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001171762373 820370549 /nfs/dbraw/zinc/37/05/49/820370549.db2.gz BMNWSFDREINHIS-UHFFFAOYSA-N 1 3 282.392 -0.284 20 0 CBADHO [NH3+]CCN1CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005917 820373831 /nfs/dbraw/zinc/37/38/31/820373831.db2.gz PWWZGGMFTYWGFM-ZDUSSCGKSA-N 1 3 266.389 -0.284 20 0 CBADHO CCN1CC[C@H](N2CCN(CC[NH3+])CC2)CC1=O ZINC001172025083 820378385 /nfs/dbraw/zinc/37/83/85/820378385.db2.gz BUNCNZLGXOFWSW-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO CC(C)(C)OC(=O)CN1CCC(NC[C@H](O)C[NH3+])CC1 ZINC001172882981 820397893 /nfs/dbraw/zinc/39/78/93/820397893.db2.gz HSBRNOKLIUODLE-GFCCVEGCSA-N 1 3 287.404 -0.298 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001173350510 820400339 /nfs/dbraw/zinc/40/03/39/820400339.db2.gz PFJPURIZXVFOHV-CYBMUJFWSA-N 1 3 259.394 -0.653 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178527095 820587211 /nfs/dbraw/zinc/58/72/11/820587211.db2.gz JSRLSCDBIVFCHM-SNVBAGLBSA-N 1 3 283.376 -0.471 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178527090 820587809 /nfs/dbraw/zinc/58/78/09/820587809.db2.gz JSRLSCDBIVFCHM-JTQLQIEISA-N 1 3 283.376 -0.471 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179481137 820630256 /nfs/dbraw/zinc/63/02/56/820630256.db2.gz CJJFKRIOEFWSGF-DCAQKATOSA-N 1 3 270.377 -0.609 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472734 820630852 /nfs/dbraw/zinc/63/08/52/820630852.db2.gz VKOACPGFGAKGGJ-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001179861186 820643178 /nfs/dbraw/zinc/64/31/78/820643178.db2.gz OWMDCJCQDHNSJC-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001179861186 820643183 /nfs/dbraw/zinc/64/31/83/820643183.db2.gz OWMDCJCQDHNSJC-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179979149 820647293 /nfs/dbraw/zinc/64/72/93/820647293.db2.gz RUFAAQYLRIYMLR-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179979149 820647298 /nfs/dbraw/zinc/64/72/98/820647298.db2.gz RUFAAQYLRIYMLR-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124240 820650507 /nfs/dbraw/zinc/65/05/07/820650507.db2.gz GMSIVRYMPDBUFK-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124240 820650509 /nfs/dbraw/zinc/65/05/09/820650509.db2.gz GMSIVRYMPDBUFK-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124608 820650858 /nfs/dbraw/zinc/65/08/58/820650858.db2.gz KPJSOVAEOUGOMR-XQQFMLRXSA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124608 820650863 /nfs/dbraw/zinc/65/08/63/820650863.db2.gz KPJSOVAEOUGOMR-XQQFMLRXSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001180226628 820655412 /nfs/dbraw/zinc/65/54/12/820655412.db2.gz DIKONGKOLNMGIQ-AVGNSLFASA-N 1 3 296.415 -0.206 20 0 CBADHO CN1CCC(O)(C(=O)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001182034851 820855355 /nfs/dbraw/zinc/85/53/55/820855355.db2.gz WKBJZKKGXCSYIC-TZMCWYRMSA-N 1 3 281.400 -0.147 20 0 CBADHO CN1CCC(O)(C(=O)n2ccc(C[NH3+])cc2=N)CC1 ZINC001182033147 820856989 /nfs/dbraw/zinc/85/69/89/820856989.db2.gz MEZUEXJLXNCPQP-UHFFFAOYSA-N 1 3 264.329 -0.477 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182391303 820912543 /nfs/dbraw/zinc/91/25/43/820912543.db2.gz NHQYHKWDTHFYIG-IUCAKERBSA-N 1 3 269.349 -0.828 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473056 820922305 /nfs/dbraw/zinc/92/23/05/820922305.db2.gz NRONAPNZQCLWPX-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473056 820922311 /nfs/dbraw/zinc/92/23/11/820922311.db2.gz NRONAPNZQCLWPX-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183266872 820986092 /nfs/dbraw/zinc/98/60/92/820986092.db2.gz HERHTHYQKUCKDF-MCIONIFRSA-N 1 3 299.415 -0.476 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001183580991 821006801 /nfs/dbraw/zinc/00/68/01/821006801.db2.gz CEERSULUDJUWBI-FRRDWIJNSA-N 1 3 287.404 -0.476 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001183582378 821008088 /nfs/dbraw/zinc/00/80/88/821008088.db2.gz WVAJZDQJMGRSTP-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647433 821012383 /nfs/dbraw/zinc/01/23/83/821012383.db2.gz HRMLDZSJYQDNSX-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185348067 821124721 /nfs/dbraw/zinc/12/47/21/821124721.db2.gz NPFAHUFKRKMGBO-OLZOCXBDSA-N 1 3 298.431 -0.112 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001185408768 821129084 /nfs/dbraw/zinc/12/90/84/821129084.db2.gz YKUSKMWBOYDLBN-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408661 821129486 /nfs/dbraw/zinc/12/94/86/821129486.db2.gz VHCSRJGQXVACKX-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185546819 821135367 /nfs/dbraw/zinc/13/53/67/821135367.db2.gz DNJHDUSQFYOHRA-STQMWFEESA-N 1 3 298.431 -0.112 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185659314 821138523 /nfs/dbraw/zinc/13/85/23/821138523.db2.gz GVMMOZGLSAARPR-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186459020 821183984 /nfs/dbraw/zinc/18/39/84/821183984.db2.gz STGQQPPAJCNAGC-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001186834889 821200892 /nfs/dbraw/zinc/20/08/92/821200892.db2.gz VOTSNEPXYFEPHN-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001186834889 821200899 /nfs/dbraw/zinc/20/08/99/821200899.db2.gz VOTSNEPXYFEPHN-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106096 821213332 /nfs/dbraw/zinc/21/33/32/821213332.db2.gz BFIHCTXDWLXBGL-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106096 821213340 /nfs/dbraw/zinc/21/33/40/821213340.db2.gz BFIHCTXDWLXBGL-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)N1CCOCC1 ZINC001187177030 821216901 /nfs/dbraw/zinc/21/69/01/821216901.db2.gz XYDFNVCISMOIIK-LBPRGKRZSA-N 1 3 299.419 -0.229 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187298513 822265773 /nfs/dbraw/zinc/26/57/73/822265773.db2.gz HPQDKAQFVJLXRD-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187298513 822265780 /nfs/dbraw/zinc/26/57/80/822265780.db2.gz HPQDKAQFVJLXRD-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001187323017 822267608 /nfs/dbraw/zinc/26/76/08/822267608.db2.gz UBCCBMUEGPVZGZ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO COCCn1nccc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001187867160 822304529 /nfs/dbraw/zinc/30/45/29/822304529.db2.gz MEZKTSSUYVMVKY-UHFFFAOYSA-N 1 3 282.348 -0.396 20 0 CBADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCO ZINC001282141510 828436423 /nfs/dbraw/zinc/43/64/23/828436423.db2.gz OKLXOUARIZVQEK-QWRGUYRKSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001282141509 828436572 /nfs/dbraw/zinc/43/65/72/828436572.db2.gz OKLXOUARIZVQEK-MNOVXSKESA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCO ZINC001282460826 828449232 /nfs/dbraw/zinc/44/92/32/828449232.db2.gz HAOXKYKMJWPGBS-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCO ZINC001282460826 828449235 /nfs/dbraw/zinc/44/92/35/828449235.db2.gz HAOXKYKMJWPGBS-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO CN(C)c1ncc(C(=O)N(CCCC[NH3+])C(=N)N)cn1 ZINC001189851740 823779535 /nfs/dbraw/zinc/77/95/35/823779535.db2.gz PPHZNAPUXUPNQZ-UHFFFAOYSA-N 1 3 279.348 -0.383 20 0 CBADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728482 823919789 /nfs/dbraw/zinc/91/97/89/823919789.db2.gz ZLGGOPJJKIVEHO-MELADBBJSA-N 1 3 299.415 -0.379 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728482 823919796 /nfs/dbraw/zinc/91/97/96/823919796.db2.gz ZLGGOPJJKIVEHO-MELADBBJSA-N 1 3 299.415 -0.379 20 0 CBADHO COCCn1cnc(C(=O)N(CCCC[NH3+])C(=N)N)c1 ZINC001194671880 824083746 /nfs/dbraw/zinc/08/37/46/824083746.db2.gz HRBPUWHOIBYPGE-UHFFFAOYSA-N 1 3 282.348 -0.396 20 0 CBADHO C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860203 824135512 /nfs/dbraw/zinc/13/55/12/824135512.db2.gz TZEXBGFUPKRZPY-JHJVBQTASA-N 1 3 287.404 -0.740 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001195860313 824135761 /nfs/dbraw/zinc/13/57/61/824135761.db2.gz VJFPIXXYJGCHRA-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO CN1CCN(c2ccncc2C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001199359393 824265545 /nfs/dbraw/zinc/26/55/45/824265545.db2.gz MDDFKXUVNBQLEM-LBPRGKRZSA-N 1 3 289.383 -0.075 20 0 CBADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(=O)[nH]n2)CC1 ZINC001205242206 824376522 /nfs/dbraw/zinc/37/65/22/824376522.db2.gz XSBIEKDLFPOQIT-GFCCVEGCSA-N 1 3 252.318 -0.142 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206274575 824396420 /nfs/dbraw/zinc/39/64/20/824396420.db2.gz JTOJYKUQTYDZKL-LBPRGKRZSA-N 1 3 296.415 -0.358 20 0 CBADHO CC(=O)N1CCC(C[N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001206512130 824401834 /nfs/dbraw/zinc/40/18/34/824401834.db2.gz JEJNPIWJXHCQJN-STQMWFEESA-N 1 3 255.362 -0.504 20 0 CBADHO CC(=O)N1CCC(C[N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001206512130 824401835 /nfs/dbraw/zinc/40/18/35/824401835.db2.gz JEJNPIWJXHCQJN-STQMWFEESA-N 1 3 255.362 -0.504 20 0 CBADHO Cn1cc(CN2CCCC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206633086 824404523 /nfs/dbraw/zinc/40/45/23/824404523.db2.gz SQZZUZJSPWIFEC-NSHDSACASA-N 1 3 280.372 -0.355 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001208414454 824451408 /nfs/dbraw/zinc/45/14/08/824451408.db2.gz QITOWLGCYSGPHH-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303514 824468391 /nfs/dbraw/zinc/46/83/91/824468391.db2.gz KUAFPYVXFIYZOB-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001209322921 824468509 /nfs/dbraw/zinc/46/85/09/824468509.db2.gz BORMYRMSPDFPLZ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454578 824471829 /nfs/dbraw/zinc/47/18/29/824471829.db2.gz MHKOOAWWOCFQDH-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO N[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211757756 824488353 /nfs/dbraw/zinc/48/83/53/824488353.db2.gz ORTFCYOJSNQUKY-UWVGGRQHSA-N 1 3 286.339 -0.209 20 0 CBADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728874 824514290 /nfs/dbraw/zinc/51/42/90/824514290.db2.gz XONKXLNSMBVILB-ZIAGYGMSSA-N 1 3 299.415 -0.210 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214997926 824537779 /nfs/dbraw/zinc/53/77/79/824537779.db2.gz OLQDXFPZQVVTQA-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214997926 824537780 /nfs/dbraw/zinc/53/77/80/824537780.db2.gz OLQDXFPZQVVTQA-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215423294 824542435 /nfs/dbraw/zinc/54/24/35/824542435.db2.gz GBSJVEBKHYCLST-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001215993885 824545059 /nfs/dbraw/zinc/54/50/59/824545059.db2.gz GUSDBQGFALXCEP-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C1C[C@@H](c2nnc(C34CNCC3C[NH2+]C4)o2)CO1 ZINC001217707859 824558960 /nfs/dbraw/zinc/55/89/60/824558960.db2.gz SSXUGBHTGBOZJZ-YDNLMGDJSA-N 1 3 250.302 -0.366 20 0 CBADHO Cn1cnc(NC(=O)[C@H](N)CCC[NH3+])c2ncnc1-2 ZINC001218495257 824569610 /nfs/dbraw/zinc/56/96/10/824569610.db2.gz MDNVNEAGCXXBFJ-SSDOTTSWSA-N 1 3 263.305 -0.680 20 0 CBADHO COC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218508836 824575145 /nfs/dbraw/zinc/57/51/45/824575145.db2.gz FAVYJYNTAHUVCS-JTQLQIEISA-N 1 3 290.323 -0.384 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515956 824579010 /nfs/dbraw/zinc/57/90/10/824579010.db2.gz OZQLCVWJUIBOBQ-QMMMGPOBSA-N 1 3 292.347 -0.254 20 0 CBADHO COc1nc(Cl)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218518666 824580865 /nfs/dbraw/zinc/58/08/65/824580865.db2.gz ONDQVPRGFVXVSE-ZETCQYMHSA-N 1 3 297.746 -0.114 20 0 CBADHO Cc1cc(NC(=O)[C@H](N)CCC[NH3+])n2ncnc2n1 ZINC001218527940 824583742 /nfs/dbraw/zinc/58/37/42/824583742.db2.gz POQUBZXIQAATES-MRVPVSSYSA-N 1 3 263.305 -0.563 20 0 CBADHO COc1ccnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218528799 824583985 /nfs/dbraw/zinc/58/39/85/824583985.db2.gz SORUQSSFGAAMOR-SNVBAGLBSA-N 1 3 262.313 -0.162 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@@H](N)CCC[NH3+] ZINC001218557311 824590024 /nfs/dbraw/zinc/59/00/24/824590024.db2.gz NYVFJKCQVXJXRJ-QMMMGPOBSA-N 1 3 263.305 -0.632 20 0 CBADHO Cc1noc([N-]C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1C(N)=O ZINC001218551800 824590057 /nfs/dbraw/zinc/59/00/57/824590057.db2.gz VKZNOZVGYRYYSC-SECBINFHSA-N 1 3 281.316 -0.653 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@H](N)CCC[NH3+] ZINC001218557310 824590524 /nfs/dbraw/zinc/59/05/24/824590524.db2.gz NYVFJKCQVXJXRJ-MRVPVSSYSA-N 1 3 263.305 -0.632 20 0 CBADHO O=C(Nc1ncnc2[nH]ccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218560406 824592081 /nfs/dbraw/zinc/59/20/81/824592081.db2.gz YCEVXOIZTGBVII-VIFPVBQESA-N 1 3 272.312 -0.295 20 0 CBADHO COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)no1 ZINC001218574334 824597628 /nfs/dbraw/zinc/59/76/28/824597628.db2.gz REEUVWKDJKAWCI-PRHODGIISA-N 1 3 266.301 -0.179 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218580829 824598727 /nfs/dbraw/zinc/59/87/27/824598727.db2.gz XRYYAXVLAPJYGT-QMMMGPOBSA-N 1 3 281.316 -0.342 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c(N)c(=O)c1=O ZINC001218586942 824598816 /nfs/dbraw/zinc/59/88/16/824598816.db2.gz HQVVLNUREKEFPK-QMMMGPOBSA-N 1 3 282.344 -0.701 20 0 CBADHO COc1ncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218590954 824600957 /nfs/dbraw/zinc/60/09/57/824600957.db2.gz ZBAIJJOJJBKBMG-SECBINFHSA-N 1 3 263.301 -0.767 20 0 CBADHO COC(=O)Cn1cc(NC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218609476 824603025 /nfs/dbraw/zinc/60/30/25/824603025.db2.gz DTCXIPZQCURRBX-JTQLQIEISA-N 1 3 283.332 -0.549 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)ncn1 ZINC001218611501 824603211 /nfs/dbraw/zinc/60/32/11/824603211.db2.gz ZHBJQLPGJHJDTJ-GFCCVEGCSA-N 1 3 292.343 -0.300 20 0 CBADHO O=C(Nc1ccnc2c1CCC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218621286 824606443 /nfs/dbraw/zinc/60/64/43/824606443.db2.gz QRARDJXRWWWMGK-NSHDSACASA-N 1 3 272.352 -0.260 20 0 CBADHO COC(=O)c1scnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218625098 824607135 /nfs/dbraw/zinc/60/71/35/824607135.db2.gz STLIDOSOXVHQJE-SSDOTTSWSA-N 1 3 296.352 -0.323 20 0 CBADHO COc1nccc(N)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218632063 824609995 /nfs/dbraw/zinc/60/99/95/824609995.db2.gz OBVIVZANGHPVTG-QMMMGPOBSA-N 1 3 253.306 -0.323 20 0 CBADHO COC(=O)c1cc(NC(=O)[C@H](N)CCC[NH3+])cn1C ZINC001218632253 824610046 /nfs/dbraw/zinc/61/00/46/824610046.db2.gz QUZLZPFXXZXOHD-SECBINFHSA-N 1 3 268.317 -0.184 20 0 CBADHO N[C@@H](C(=O)Nc1ccn2cnnc2c1)C1CC[NH2+]CC1 ZINC001218659798 824618377 /nfs/dbraw/zinc/61/83/77/824618377.db2.gz VYNDNVKXSQJIBN-GFCCVEGCSA-N 1 3 274.328 -0.005 20 0 CBADHO COCn1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001218700143 824623478 /nfs/dbraw/zinc/62/34/78/824623478.db2.gz DWIVUJFJZALBHP-NSHDSACASA-N 1 3 267.333 -0.248 20 0 CBADHO Cc1nnc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccn12 ZINC001218699142 824623527 /nfs/dbraw/zinc/62/35/27/824623527.db2.gz DGZFPMKRUHGFDM-NSHDSACASA-N 1 3 286.339 -0.215 20 0 CBADHO Cc1ncn(C)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218697949 824624111 /nfs/dbraw/zinc/62/41/11/824624111.db2.gz KZCSJCIGMWDUJI-JTQLQIEISA-N 1 3 251.334 -0.006 20 0 CBADHO NC(=O)c1cnoc1[N-]C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218702023 824624822 /nfs/dbraw/zinc/62/48/22/824624822.db2.gz IXEDLCXNMBIKFZ-ZETCQYMHSA-N 1 3 255.278 -0.832 20 0 CBADHO NC(=O)c1cnoc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218702023 824624825 /nfs/dbraw/zinc/62/48/25/824624825.db2.gz IXEDLCXNMBIKFZ-ZETCQYMHSA-N 1 3 255.278 -0.832 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704366 824625869 /nfs/dbraw/zinc/62/58/69/824625869.db2.gz PMAFMLUVXMVXKT-LLVKDONJSA-N 1 3 260.301 -0.228 20 0 CBADHO CC(=O)c1nn(C)cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218708550 824625997 /nfs/dbraw/zinc/62/59/97/824625997.db2.gz SWXOXGAFQUMNMI-MRVPVSSYSA-N 1 3 253.306 -0.373 20 0 CBADHO [NH3+]CCCNCC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218711588 824627155 /nfs/dbraw/zinc/62/71/55/824627155.db2.gz LEECJKHVUORDFW-VIFPVBQESA-N 1 3 267.333 -0.024 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218713121 824627483 /nfs/dbraw/zinc/62/74/83/824627483.db2.gz QRHLHDVPGWIVKV-PKFCDNJMSA-N 1 3 291.355 -0.011 20 0 CBADHO COC[C@H](C)Oc1cc(NC(=O)[C@@H](N)CCC[NH3+])[nH]n1 ZINC001218718006 824627555 /nfs/dbraw/zinc/62/75/55/824627555.db2.gz BKFIKMGTXHOTOF-IUCAKERBSA-N 1 3 285.348 -0.172 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1C[NH2+]C[C@H]1O ZINC001218712203 824627685 /nfs/dbraw/zinc/62/76/85/824627685.db2.gz NSMYKBQPOJZKKR-OYNCUSHFSA-N 1 3 266.301 -0.382 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]CCN1 ZINC001218710396 824628067 /nfs/dbraw/zinc/62/80/67/824628067.db2.gz FFMZELMASMYXOX-WPRPVWTQSA-N 1 3 265.317 -0.401 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)Nc2cc([C@@H]3CCCN3)no2)C1 ZINC001218713936 824628059 /nfs/dbraw/zinc/62/80/59/824628059.db2.gz VADRNDBXVUNUTI-WEDXCCLWSA-N 1 3 265.317 -0.273 20 0 CBADHO CCN=c1ncc(N)cn1C(=O)[C@H](CCCC[NH3+])NC ZINC001218739846 824630107 /nfs/dbraw/zinc/63/01/07/824630107.db2.gz LBCWFEATCHDVNB-NSHDSACASA-N 1 3 280.376 -0.257 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218765007 824635696 /nfs/dbraw/zinc/63/56/96/824635696.db2.gz QSAVDWRRQTXLGP-NSHDSACASA-N 1 3 291.355 -0.293 20 0 CBADHO Nc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(CCO)c1 ZINC001218917961 824646750 /nfs/dbraw/zinc/64/67/50/824646750.db2.gz DZVGIGRNICDDGT-GFCCVEGCSA-N 1 3 290.367 -0.449 20 0 CBADHO Nc1ccc(COCCO)c(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001218916904 824647743 /nfs/dbraw/zinc/64/77/43/824647743.db2.gz DJRYRDFWPYMDMN-LBPRGKRZSA-N 1 3 296.371 -0.218 20 0 CBADHO Nc1ccc(OCCO)c(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001218919326 824647765 /nfs/dbraw/zinc/64/77/65/824647765.db2.gz NBPOOPVZPSIMSS-JTQLQIEISA-N 1 3 282.344 -0.355 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935169 824648944 /nfs/dbraw/zinc/64/89/44/824648944.db2.gz QVGFQFAQNPRONQ-LBPRGKRZSA-N 1 3 276.340 -0.023 20 0 CBADHO NC(=O)Cc1cccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218953677 824649489 /nfs/dbraw/zinc/64/94/89/824649489.db2.gz DEFGOSRESURNMK-AWEZNQCLSA-N 1 3 290.367 -0.020 20 0 CBADHO NC(=O)Cc1cccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218953678 824650066 /nfs/dbraw/zinc/65/00/66/824650066.db2.gz DEFGOSRESURNMK-CQSZACIVSA-N 1 3 290.367 -0.020 20 0 CBADHO Nc1cccc2c1N(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001219439878 824710769 /nfs/dbraw/zinc/71/07/69/824710769.db2.gz NHMJWYYRLHLSEI-NSHDSACASA-N 1 3 272.352 -0.033 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001219442020 824710967 /nfs/dbraw/zinc/71/09/67/824710967.db2.gz ZPTZHXVVJWVYDN-JTQLQIEISA-N 1 3 266.301 -0.504 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCn1ccnc1 ZINC001219564166 824731449 /nfs/dbraw/zinc/73/14/49/824731449.db2.gz ULKLDXWBJLYHCP-VIFPVBQESA-N 1 3 257.363 -0.982 20 0 CBADHO O=C(NCCn1ccnc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219564319 824732336 /nfs/dbraw/zinc/73/23/36/824732336.db2.gz XXSXIWFZAGKVGE-LBPRGKRZSA-N 1 3 277.372 -0.127 20 0 CBADHO Cn1ccnc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219564262 824732424 /nfs/dbraw/zinc/73/24/24/824732424.db2.gz VTLIZRYSIWCQJP-ZWNOBZJWSA-N 1 3 263.345 -0.765 20 0 CBADHO O=C(NCCn1ccnn1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219566312 824733312 /nfs/dbraw/zinc/73/33/12/824733312.db2.gz ZJOQVYSSEBONCW-NSHDSACASA-N 1 3 278.360 -0.732 20 0 CBADHO O=C(NCCn1ccnn1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219566312 824733319 /nfs/dbraw/zinc/73/33/19/824733319.db2.gz ZJOQVYSSEBONCW-NSHDSACASA-N 1 3 278.360 -0.732 20 0 CBADHO Cc1cc(C)n(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001219595645 824738947 /nfs/dbraw/zinc/73/89/47/824738947.db2.gz JMZJXCHZRGHMSO-UKRRQHHQSA-N 1 3 291.399 -0.185 20 0 CBADHO Cc1cc(C)n(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001219595648 824739148 /nfs/dbraw/zinc/73/91/48/824739148.db2.gz JPOLBJRCOHRYBP-GFCCVEGCSA-N 1 3 277.372 -0.575 20 0 CBADHO C[C@H]1CCN[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593751 824739861 /nfs/dbraw/zinc/73/98/61/824739861.db2.gz HIBHUZNSGMWALP-DTWKUNHWSA-N 1 3 263.363 -0.879 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@@H](O)c1ccco1 ZINC001219604232 824849820 /nfs/dbraw/zinc/84/98/20/824849820.db2.gz LECMNFCTZMOCPE-VHSXEESVSA-N 1 3 255.318 -0.115 20 0 CBADHO O=C(NCCN1CCCCO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219633149 824865143 /nfs/dbraw/zinc/86/51/43/824865143.db2.gz YKFGWLZPBUUOEU-TZMCWYRMSA-N 1 3 282.388 -0.671 20 0 CBADHO Cn1cnc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001219634100 824868060 /nfs/dbraw/zinc/86/80/60/824868060.db2.gz NTUMRTZLQUBJGD-CYBMUJFWSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1cnc(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001219634100 824868069 /nfs/dbraw/zinc/86/80/69/824868069.db2.gz NTUMRTZLQUBJGD-CYBMUJFWSA-N 1 3 291.399 -0.047 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001219640873 824869899 /nfs/dbraw/zinc/86/98/99/824869899.db2.gz CMIUTWXUVXLVAZ-MDZLAQPJSA-N 1 3 279.388 -0.348 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219641929 824870207 /nfs/dbraw/zinc/87/02/07/824870207.db2.gz MZJJBTTYQHWYNH-GMTAPVOTSA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649484 824872891 /nfs/dbraw/zinc/87/28/91/824872891.db2.gz JYBPKBCFYIPEKU-CYDGBPFRSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219648965 824873296 /nfs/dbraw/zinc/87/32/96/824873296.db2.gz CRQFRQLYCSLSQQ-RCWTZXSCSA-N 1 3 270.377 -0.800 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(C(N)=O)CC1 ZINC001219682899 824878176 /nfs/dbraw/zinc/87/81/76/824878176.db2.gz QQHPVGXRVFWIKB-JTQLQIEISA-N 1 3 270.377 -0.384 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739059 824887657 /nfs/dbraw/zinc/88/76/57/824887657.db2.gz GFTOUAYFBNTKBY-SFYZADRCSA-N 1 3 263.288 -0.536 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768965 824892132 /nfs/dbraw/zinc/89/21/32/824892132.db2.gz RWOQLGVKCMIGBI-AAEUAGOBSA-N 1 3 283.351 -0.502 20 0 CBADHO N[C@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C1CCC(O)CC1 ZINC001219812720 824897270 /nfs/dbraw/zinc/89/72/70/824897270.db2.gz HUHQTMSGODVYHQ-PMHIFUKMSA-N 1 3 297.399 -0.783 20 0 CBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)C1CC[NH2+]CC1 ZINC001219847549 824901386 /nfs/dbraw/zinc/90/13/86/824901386.db2.gz KIIZLZMFHJYYKD-SDDRHHMPSA-N 1 3 253.346 -0.378 20 0 CBADHO N[C@@H](CC1CCCC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856717 824902749 /nfs/dbraw/zinc/90/27/49/824902749.db2.gz YICMRTNBHXHRJJ-MROQNXINSA-N 1 3 267.373 -0.003 20 0 CBADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1C[NH2+]CC12CNC2 ZINC001219865190 824904775 /nfs/dbraw/zinc/90/47/75/824904775.db2.gz FGQKPPGPTCFMIB-HZSPNIEDSA-N 1 3 287.363 -0.430 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890123 824910507 /nfs/dbraw/zinc/91/05/07/824910507.db2.gz FJMFNCWPSDCNNX-QWRGUYRKSA-N 1 3 278.356 -0.173 20 0 CBADHO Cc1nccn1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001219934725 824917631 /nfs/dbraw/zinc/91/76/31/824917631.db2.gz JRFITWMHELNEHF-CYBMUJFWSA-N 1 3 294.403 -0.942 20 0 CBADHO CCC[NH+]1CCC(NC(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001219954671 824922715 /nfs/dbraw/zinc/92/27/15/824922715.db2.gz MYTWVXZRFOTTBH-ZDUSSCGKSA-N 1 3 296.415 -0.693 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001219961739 824924891 /nfs/dbraw/zinc/92/48/91/824924891.db2.gz UYMGYETZSMYWHU-NSHDSACASA-N 1 3 264.329 -0.532 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978980 824929627 /nfs/dbraw/zinc/92/96/27/824929627.db2.gz XFWDCSAGZHBDJL-LBPRGKRZSA-N 1 3 290.367 -0.242 20 0 CBADHO N[C@@H](C(=O)NC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979115 824929823 /nfs/dbraw/zinc/92/98/23/824929823.db2.gz ZWBROQBYRYOJPA-NWDGAFQWSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(NCc1cncnc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220007687 824933099 /nfs/dbraw/zinc/93/30/99/824933099.db2.gz UAKYIPRABMSKLP-GFCCVEGCSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NCc1cncnc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220007687 824933102 /nfs/dbraw/zinc/93/31/02/824933102.db2.gz UAKYIPRABMSKLP-GFCCVEGCSA-N 1 3 275.356 -0.033 20 0 CBADHO CCOC(=O)c1nnc(CNC(=O)[C@@H](N)CCCC[NH3+])o1 ZINC001220011084 824934198 /nfs/dbraw/zinc/93/41/98/824934198.db2.gz QNELRCPKMBZGKW-QMMMGPOBSA-N 1 3 299.331 -0.681 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031564 824939739 /nfs/dbraw/zinc/93/97/39/824939739.db2.gz XMDJZRKCZFLURP-QWRGUYRKSA-N 1 3 298.387 -0.597 20 0 CBADHO O=C(NCc1ccncc1F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220035919 824941129 /nfs/dbraw/zinc/94/11/29/824941129.db2.gz HVNZLPBOGOHZSC-JTQLQIEISA-N 1 3 264.304 -0.354 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220043042 824941739 /nfs/dbraw/zinc/94/17/39/824941739.db2.gz CHTVMQKNLUDAAW-NHNAUAITSA-N 1 3 293.371 -0.352 20 0 CBADHO N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220044874 824941822 /nfs/dbraw/zinc/94/18/22/824941822.db2.gz CMDZOBQISKFRBX-JTQLQIEISA-N 1 3 260.301 -0.640 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCCC1 ZINC001220047716 824944189 /nfs/dbraw/zinc/94/41/89/824944189.db2.gz DAJUDZYZHBVXME-NSHDSACASA-N 1 3 283.372 -0.085 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220063766 824948515 /nfs/dbraw/zinc/94/85/15/824948515.db2.gz BPVRINSLADNRRD-SNVBAGLBSA-N 1 3 271.361 -0.229 20 0 CBADHO Cn1cc(N)nc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001220103525 824954799 /nfs/dbraw/zinc/95/47/99/824954799.db2.gz VPXPRWWISYWJIU-UHFFFAOYSA-N 1 3 253.310 -0.923 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113530 824958312 /nfs/dbraw/zinc/95/83/12/824958312.db2.gz WRDOVTJDKPFAMU-NWDGAFQWSA-N 1 3 299.396 -0.439 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113243 824958415 /nfs/dbraw/zinc/95/84/15/824958415.db2.gz OJEBWZWSQCUFAA-QWHCGFSZSA-N 1 3 281.356 -0.002 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CCC[NH3+])[C@@H](C)OC1 ZINC001220136839 824963554 /nfs/dbraw/zinc/96/35/54/824963554.db2.gz IUFAITQHPHJRRS-SCZZXKLOSA-N 1 3 285.344 -0.595 20 0 CBADHO O=C(NC1CC(CO)(CO)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220151724 824970015 /nfs/dbraw/zinc/97/00/15/824970015.db2.gz FFEXHANJMKYKFT-GFCCVEGCSA-N 1 3 297.399 -0.890 20 0 CBADHO O=C(NC1CC(CO)(CO)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220151724 824970017 /nfs/dbraw/zinc/97/00/17/824970017.db2.gz FFEXHANJMKYKFT-GFCCVEGCSA-N 1 3 297.399 -0.890 20 0 CBADHO N[C@H](C(=O)NC1(C[NH3+])COC1)C1Cc2ccccc2C1 ZINC001220154010 824971528 /nfs/dbraw/zinc/97/15/28/824971528.db2.gz HSUALPONQGCLGE-ZDUSSCGKSA-N 1 3 275.352 -0.427 20 0 CBADHO O=C(NC1(CCO)COC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220174157 824978387 /nfs/dbraw/zinc/97/83/87/824978387.db2.gz WENWISMUXMLUIJ-NSHDSACASA-N 1 3 283.372 -0.872 20 0 CBADHO O=C(NC1(CCO)COC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220174157 824978392 /nfs/dbraw/zinc/97/83/92/824978392.db2.gz WENWISMUXMLUIJ-NSHDSACASA-N 1 3 283.372 -0.872 20 0 CBADHO Cn1ccc(CNC(=O)[C@@H](N)CCC[NH3+])cc1=O ZINC001220180044 824979901 /nfs/dbraw/zinc/97/99/01/824979901.db2.gz ZCEFZKRDZYYYCX-JTQLQIEISA-N 1 3 252.318 -0.932 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cncnc1 ZINC001220183558 824980747 /nfs/dbraw/zinc/98/07/47/824980747.db2.gz SFTSWEHOGHAOOP-SCZZXKLOSA-N 1 3 269.374 -0.327 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183018 824981407 /nfs/dbraw/zinc/98/14/07/824981407.db2.gz AOYBISXMCDZZRO-CYBMUJFWSA-N 1 3 294.355 -0.458 20 0 CBADHO CC1(C)C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)O1 ZINC001220200584 824985983 /nfs/dbraw/zinc/98/59/83/824985983.db2.gz OIGKTEAEQDJKPZ-UWVGGRQHSA-N 1 3 253.346 -0.521 20 0 CBADHO N[C@@H](C(=O)NC1(c2cccnn2)CC1)C1CC[NH2+]CC1 ZINC001220210004 824987139 /nfs/dbraw/zinc/98/71/39/824987139.db2.gz MYGDXBWWJDXXDL-GFCCVEGCSA-N 1 3 275.356 -0.091 20 0 CBADHO O=C(NC1(c2cccnn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220209702 824987351 /nfs/dbraw/zinc/98/73/51/824987351.db2.gz AWRAJUNXJHNPME-JTQLQIEISA-N 1 3 273.340 -0.609 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCC(N)=O ZINC001220276282 825002559 /nfs/dbraw/zinc/00/25/59/825002559.db2.gz CCOPYPFRHDNWLJ-JTQLQIEISA-N 1 3 258.366 -0.526 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCNC(N)=O ZINC001220220674 824990010 /nfs/dbraw/zinc/99/00/10/824990010.db2.gz AOTWAKWXEWDBPP-WOPDTQHZSA-N 1 3 299.419 -0.249 20 0 CBADHO CN1C[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])CC1=O ZINC001220245131 824993385 /nfs/dbraw/zinc/99/33/85/824993385.db2.gz HKQGODMJZSUYEM-ZJUUUORDSA-N 1 3 256.350 -0.963 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261094 824997553 /nfs/dbraw/zinc/99/75/53/824997553.db2.gz QLWUZANTIVOTQN-LBPRGKRZSA-N 1 3 274.328 -0.334 20 0 CBADHO N[C@@H](C(=O)N[C@H](CO)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220447055 825038609 /nfs/dbraw/zinc/03/86/09/825038609.db2.gz BRVWHESQSSXTOL-HTQZYQBOSA-N 1 3 269.267 -0.647 20 0 CBADHO CC1(C)OCC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CO1 ZINC001220270751 825000152 /nfs/dbraw/zinc/00/01/52/825000152.db2.gz FFGKVESHHRCZAL-NSHDSACASA-N 1 3 271.361 -0.419 20 0 CBADHO CC[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)OC ZINC001220276497 825003624 /nfs/dbraw/zinc/00/36/24/825003624.db2.gz COYHRSFTUSQZRA-XQQFMLRXSA-N 1 3 287.404 -0.476 20 0 CBADHO Cn1cc(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001220276457 825003712 /nfs/dbraw/zinc/00/37/12/825003712.db2.gz KSOHAXYUDDDTHY-GFCCVEGCSA-N 1 3 265.361 -0.594 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001220277147 825003899 /nfs/dbraw/zinc/00/38/99/825003899.db2.gz SHXIGJUMKYYDFK-MCIONIFRSA-N 1 3 299.415 -0.332 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286263 825005033 /nfs/dbraw/zinc/00/50/33/825005033.db2.gz DWAVRGWWYFVKDD-GFCCVEGCSA-N 1 3 296.346 -0.262 20 0 CBADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cnccn1 ZINC001220369085 825020823 /nfs/dbraw/zinc/02/08/23/825020823.db2.gz SMEUISVCSDFPSK-JOYOIKCWSA-N 1 3 263.345 -0.019 20 0 CBADHO CCOC(=O)C1(CNC(=O)[C@H](N)CCC[NH3+])CCC1 ZINC001220371035 825021139 /nfs/dbraw/zinc/02/11/39/825021139.db2.gz MWSLUEQXKSWVFW-SNVBAGLBSA-N 1 3 271.361 -0.098 20 0 CBADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cnccn1 ZINC001220368730 825021510 /nfs/dbraw/zinc/02/15/10/825021510.db2.gz LKWCSLBTZJIZKD-JTNHKYCSSA-N 1 3 275.356 -0.147 20 0 CBADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cnccn1 ZINC001220368885 825022112 /nfs/dbraw/zinc/02/21/12/825022112.db2.gz OPOQFTRAYUPVDB-UWVGGRQHSA-N 1 3 261.329 -0.537 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CCC2 ZINC001220376929 825023723 /nfs/dbraw/zinc/02/37/23/825023723.db2.gz DRROPKCDUBXGMN-VXGBXAGGSA-N 1 3 276.340 -0.458 20 0 CBADHO CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220382231 825025234 /nfs/dbraw/zinc/02/52/34/825025234.db2.gz TYRMNKKFJBGZMD-STQMWFEESA-N 1 3 296.415 -0.693 20 0 CBADHO CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220382231 825025236 /nfs/dbraw/zinc/02/52/36/825025236.db2.gz TYRMNKKFJBGZMD-STQMWFEESA-N 1 3 296.415 -0.693 20 0 CBADHO COc1ccc(CCNC(=O)[C@H](N)CCC[NH3+])nc1 ZINC001220396397 825028454 /nfs/dbraw/zinc/02/84/54/825028454.db2.gz ADDKIEFCBFZASG-GFCCVEGCSA-N 1 3 266.345 -0.185 20 0 CBADHO C=CC(=O)NCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220394784 825028799 /nfs/dbraw/zinc/02/87/99/825028799.db2.gz NBVBMFKMZJZFAV-NSHDSACASA-N 1 3 270.377 -0.536 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403313 825031750 /nfs/dbraw/zinc/03/17/50/825031750.db2.gz NJZNTJQBJSMLLX-NEPJUHHUSA-N 1 3 276.340 -0.460 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001220405772 825031761 /nfs/dbraw/zinc/03/17/61/825031761.db2.gz CYQBOVZXZSJWPS-BBBLOLIVSA-N 1 3 257.334 -0.490 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001220405724 825031867 /nfs/dbraw/zinc/03/18/67/825031867.db2.gz CKGUWCTYHORSLS-GRYCIOLGSA-N 1 3 283.372 -0.229 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403316 825031993 /nfs/dbraw/zinc/03/19/93/825031993.db2.gz NJZNTJQBJSMLLX-VXGBXAGGSA-N 1 3 276.340 -0.460 20 0 CBADHO CNOCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220403462 825032347 /nfs/dbraw/zinc/03/23/47/825032347.db2.gz RQKPKDVZWBLWFZ-NSHDSACASA-N 1 3 260.382 -0.251 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220406760 825033134 /nfs/dbraw/zinc/03/31/34/825033134.db2.gz WOKHWNFMYYQKJI-UTLUCORTSA-N 1 3 289.401 -0.537 20 0 CBADHO Cn1c(=O)cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)[nH]c1=O ZINC001220424940 825037733 /nfs/dbraw/zinc/03/77/33/825037733.db2.gz ZJSXETDNTJCCDG-VIFPVBQESA-N 1 3 297.359 -0.516 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447251 825041662 /nfs/dbraw/zinc/04/16/62/825041662.db2.gz FIGHBIPVRGHGNC-WDSKDSINSA-N 1 3 275.296 -0.955 20 0 CBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(C)C ZINC001220462677 825044279 /nfs/dbraw/zinc/04/42/79/825044279.db2.gz KKJBVGINBDDQPT-NEPJUHHUSA-N 1 3 296.415 -0.539 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494611 825050691 /nfs/dbraw/zinc/05/06/91/825050691.db2.gz PISNCBSIJNIJKK-SNVBAGLBSA-N 1 3 251.334 -0.333 20 0 CBADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001220517739 825053327 /nfs/dbraw/zinc/05/33/27/825053327.db2.gz XYPKKORBRLGTFP-ZDUSSCGKSA-N 1 3 280.372 -0.731 20 0 CBADHO COc1cccc(C[C@H](N)C(=O)NCCN(C)CC[NH3+])c1 ZINC001220517747 825054456 /nfs/dbraw/zinc/05/44/56/825054456.db2.gz YFOXZQWHDUYXEG-AWEZNQCLSA-N 1 3 294.399 -0.428 20 0 CBADHO CCOC(=O)C1=C(NC(=O)CC[NH2+]C)CCNC1 ZINC001220522639 825057166 /nfs/dbraw/zinc/05/71/66/825057166.db2.gz BVBQUCWJCLCOCH-UHFFFAOYSA-N 1 3 255.318 -0.477 20 0 CBADHO C[C@H](NC(=O)[C@H](N)CCC[NH3+])[C@H](O)c1cccc(O)c1 ZINC001220546025 825060644 /nfs/dbraw/zinc/06/06/44/825060644.db2.gz AAOUVHCIHLKWSF-BIMULSAOSA-N 1 3 281.356 -0.004 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(F)(F)F ZINC001220588566 825070467 /nfs/dbraw/zinc/07/04/67/825070467.db2.gz VAESVSBLYDAFDN-WDSKDSINSA-N 1 3 271.239 -0.727 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001220588318 825071578 /nfs/dbraw/zinc/07/15/78/825071578.db2.gz SLEIQAXWCIXBHR-NKWVEPMBSA-N 1 3 295.261 -0.985 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1=O ZINC001220591031 825072841 /nfs/dbraw/zinc/07/28/41/825072841.db2.gz UTVSZHAIOWGHOZ-QWRGUYRKSA-N 1 3 268.361 -0.950 20 0 CBADHO N[C@@H](C(=O)N[C@@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620181 825078532 /nfs/dbraw/zinc/07/85/32/825078532.db2.gz QEEWFQAWJTYCAA-OLZOCXBDSA-N 1 3 288.351 -0.128 20 0 CBADHO COC(CCCNC(=O)[C@H]1C[NH2+]CC12CNC2)OC ZINC001220741063 825095252 /nfs/dbraw/zinc/09/52/52/825095252.db2.gz CUXFRAWDCWJDIA-SNVBAGLBSA-N 1 3 271.361 -0.689 20 0 CBADHO COC(CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1)OC ZINC001220741332 825095707 /nfs/dbraw/zinc/09/57/07/825095707.db2.gz LSSGDMDNSCCSCK-LBPRGKRZSA-N 1 3 273.377 -0.171 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220756756 825097448 /nfs/dbraw/zinc/09/74/48/825097448.db2.gz JGQTUKJCUGZDHH-MPKXVKKWSA-N 1 3 282.388 -0.926 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779278 825101466 /nfs/dbraw/zinc/10/14/66/825101466.db2.gz PVMWAMBBQKTCPL-ZNIXKSQXSA-N 1 3 282.388 -0.241 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220848680 825111122 /nfs/dbraw/zinc/11/11/22/825111122.db2.gz FVVVMHJJKHKPNA-MISXGVKJSA-N 1 3 283.372 -0.499 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001220852865 825112470 /nfs/dbraw/zinc/11/24/70/825112470.db2.gz AHXXLHRXUAQYEM-GFCCVEGCSA-N 1 3 293.371 -0.463 20 0 CBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220857794 825113417 /nfs/dbraw/zinc/11/34/17/825113417.db2.gz RYMYIXJRRSNEHN-ZJUUUORDSA-N 1 3 253.350 -0.231 20 0 CBADHO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220855087 825113748 /nfs/dbraw/zinc/11/37/48/825113748.db2.gz LINBZMZXTRAXGZ-ZDUSSCGKSA-N 1 3 290.367 -0.908 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862329 825114967 /nfs/dbraw/zinc/11/49/67/825114967.db2.gz XLGPAPRDZXDVDT-WDEREUQCSA-N 1 3 259.350 -0.288 20 0 CBADHO COc1cncc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001220871010 825116412 /nfs/dbraw/zinc/11/64/12/825116412.db2.gz RJWKHNAWABPYPY-LBPRGKRZSA-N 1 3 276.340 -0.485 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220881189 825118226 /nfs/dbraw/zinc/11/82/26/825118226.db2.gz FIHGKLBXVFZWKF-HBNTYKKESA-N 1 3 269.345 -0.761 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220881434 825118327 /nfs/dbraw/zinc/11/83/27/825118327.db2.gz KMAYEOMPYUBKNN-UTUOFQBUSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220881434 825118333 /nfs/dbraw/zinc/11/83/33/825118333.db2.gz KMAYEOMPYUBKNN-UTUOFQBUSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220881433 825118349 /nfs/dbraw/zinc/11/83/49/825118349.db2.gz KMAYEOMPYUBKNN-TUAOUCFPSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220881433 825118353 /nfs/dbraw/zinc/11/83/53/825118353.db2.gz KMAYEOMPYUBKNN-TUAOUCFPSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220881443 825118644 /nfs/dbraw/zinc/11/86/44/825118644.db2.gz KMSCZJOTOHIZEW-GUBZILKMSA-N 1 3 257.334 -0.632 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220881539 825118923 /nfs/dbraw/zinc/11/89/23/825118923.db2.gz MGUJRMDZIDSQAA-UTUOFQBUSA-N 1 3 285.388 -0.029 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220881188 825118959 /nfs/dbraw/zinc/11/89/59/825118959.db2.gz FIHGKLBXVFZWKF-GMTAPVOTSA-N 1 3 269.345 -0.761 20 0 CBADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001220907141 825122434 /nfs/dbraw/zinc/12/24/34/825122434.db2.gz IVIRWNRZKLROBO-AAEUAGOBSA-N 1 3 282.388 -0.560 20 0 CBADHO NC(C(=O)NCCO[C@H]1CC[NH2+]C1)C(F)(F)F ZINC001220937640 825127625 /nfs/dbraw/zinc/12/76/25/825127625.db2.gz WTMWMCWRLUCQSJ-BQBZGAKWSA-N 1 3 255.240 -0.629 20 0 CBADHO CC(C)Oc1nccc(CNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001220988327 825131612 /nfs/dbraw/zinc/13/16/12/825131612.db2.gz IXPMPCRLEBQWAL-NSHDSACASA-N 1 3 281.360 -0.054 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC1(c2cnccn2)CC1 ZINC001220992515 825131693 /nfs/dbraw/zinc/13/16/93/825131693.db2.gz OYOYKFVPUSOHCL-SNVBAGLBSA-N 1 3 263.345 -0.309 20 0 CBADHO Cc1nnc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)o1 ZINC001221010589 825135878 /nfs/dbraw/zinc/13/58/78/825135878.db2.gz LRKOQKKZMUGTBM-SNVBAGLBSA-N 1 3 279.344 -0.132 20 0 CBADHO Cc1nnc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)o1 ZINC001221010589 825135880 /nfs/dbraw/zinc/13/58/80/825135880.db2.gz LRKOQKKZMUGTBM-SNVBAGLBSA-N 1 3 279.344 -0.132 20 0 CBADHO O=C(NCCc1nncs1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221013557 825136654 /nfs/dbraw/zinc/13/66/54/825136654.db2.gz RPVSBTZYBRMTAH-QMMMGPOBSA-N 1 3 267.358 -0.994 20 0 CBADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H](N)CCC[NH3+] ZINC001221015294 825136955 /nfs/dbraw/zinc/13/69/55/825136955.db2.gz CJHOMHZKUYGIDY-JTQLQIEISA-N 1 3 282.344 -0.213 20 0 CBADHO COC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221012995 825137147 /nfs/dbraw/zinc/13/71/47/825137147.db2.gz GUUSVJGPELKBEM-QWRGUYRKSA-N 1 3 253.346 -0.663 20 0 CBADHO COCC1(CNC(=O)[C@H](N)CCC[NH3+])CCOCC1 ZINC001221176539 825150202 /nfs/dbraw/zinc/15/02/02/825150202.db2.gz CMIYPQBURMCCGS-LLVKDONJSA-N 1 3 273.377 -0.388 20 0 CBADHO N[C@@H](C(=O)NCc1nc2cc[nH]cc-2n1)C1CC[NH2+]CC1 ZINC001221194916 825153223 /nfs/dbraw/zinc/15/32/23/825153223.db2.gz XEAQIPLHSHUPKI-CYBMUJFWSA-N 1 3 288.355 -0.099 20 0 CBADHO C[N@@H+]1CCC[C@@](C)(NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001221241112 825158049 /nfs/dbraw/zinc/15/80/49/825158049.db2.gz OGIPMIOMROYORU-SWLSCSKDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@@](C)(NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001221241112 825158052 /nfs/dbraw/zinc/15/80/52/825158052.db2.gz OGIPMIOMROYORU-SWLSCSKDSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221240893 825158066 /nfs/dbraw/zinc/15/80/66/825158066.db2.gz HCAWNJAANKBERS-LKAMGYQZSA-N 1 3 270.377 -0.528 20 0 CBADHO O=C(NCc1cc2ccccn2n1)[C@H]1C[NH2+]CC12CNC2 ZINC001221234959 825158146 /nfs/dbraw/zinc/15/81/46/825158146.db2.gz PGPNQTKNVALUMA-CYBMUJFWSA-N 1 3 285.351 -0.241 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221239847 825159314 /nfs/dbraw/zinc/15/93/14/825159314.db2.gz VGIVLIAEWSUQLZ-AYGWYOGXSA-N 1 3 284.404 -0.140 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221238643 825159385 /nfs/dbraw/zinc/15/93/85/825159385.db2.gz BAIFEWAHOOGHPG-PTOFAABTSA-N 1 3 251.334 -0.714 20 0 CBADHO CC(C)(O)[C@H](F)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221260121 825163606 /nfs/dbraw/zinc/16/36/06/825163606.db2.gz IFBPZWIMZYILCR-RKDXNWHRSA-N 1 3 259.325 -0.979 20 0 CBADHO O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221269558 825164936 /nfs/dbraw/zinc/16/49/36/825164936.db2.gz PZSNXKYHRZFYHB-RYUDHWBXSA-N 1 3 294.399 -0.355 20 0 CBADHO O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221269558 825164942 /nfs/dbraw/zinc/16/49/42/825164942.db2.gz PZSNXKYHRZFYHB-RYUDHWBXSA-N 1 3 294.399 -0.355 20 0 CBADHO CC[C@H](C)[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)N(C)C ZINC001221277940 825165678 /nfs/dbraw/zinc/16/56/78/825165678.db2.gz BSSZKSSMEDAMGB-UHTWSYAYSA-N 1 3 298.431 -0.068 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221310005 825169309 /nfs/dbraw/zinc/16/93/09/825169309.db2.gz ZYSCEHBPODGDJC-WDEREUQCSA-N 1 3 276.340 -0.095 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221310000 825170115 /nfs/dbraw/zinc/17/01/15/825170115.db2.gz ZYSCEHBPODGDJC-GHMZBOCLSA-N 1 3 276.340 -0.095 20 0 CBADHO O=C(NCc1cnc(Cl)cn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221319220 825170940 /nfs/dbraw/zinc/17/09/40/825170940.db2.gz QVLQSKFKBFGZIY-NOZJJQNGSA-N 1 3 295.774 -0.055 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221338708 825173994 /nfs/dbraw/zinc/17/39/94/825173994.db2.gz ROUVMJCXAQSDJU-CYBMUJFWSA-N 1 3 288.355 -0.050 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCCC[NH3+] ZINC001221348897 825175103 /nfs/dbraw/zinc/17/51/03/825175103.db2.gz LIBKPVLSHBPOKB-ONGXEEELSA-N 1 3 258.366 -0.669 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)NC1 ZINC001221392840 825179779 /nfs/dbraw/zinc/17/97/79/825179779.db2.gz OAGMXNRIRDAQIH-GXTWGEPZSA-N 1 3 292.383 -0.865 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@@]3(N)CC[NH2+]C3)CC2)NC1 ZINC001221392311 825180313 /nfs/dbraw/zinc/18/03/13/825180313.db2.gz KZCFULOLONKXLS-OAHLLOKOSA-N 1 3 291.399 -0.755 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1nc(N)cn1C ZINC001221391010 825180501 /nfs/dbraw/zinc/18/05/01/825180501.db2.gz JVWMKVQIEYUNNE-UHFFFAOYSA-N 1 3 281.364 -0.320 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC001221402355 825182251 /nfs/dbraw/zinc/18/22/51/825182251.db2.gz DXONVKGRFUCCAT-GFCCVEGCSA-N 1 3 255.362 -0.299 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001221402286 825182492 /nfs/dbraw/zinc/18/24/92/825182492.db2.gz BWTCLDLZWPETNG-NWDGAFQWSA-N 1 3 269.389 -0.053 20 0 CBADHO CN1CCC(CO)(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC001221402395 825182783 /nfs/dbraw/zinc/18/27/83/825182783.db2.gz GBCMYJSNKDYMBG-GFCCVEGCSA-N 1 3 269.389 -0.051 20 0 CBADHO C[C@@]1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCCOC1 ZINC001221403110 825183322 /nfs/dbraw/zinc/18/33/22/825183322.db2.gz QGKHNAUFLCQPAT-WCQYABFASA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@]1(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCCOC1 ZINC001221403794 825184506 /nfs/dbraw/zinc/18/45/06/825184506.db2.gz XNZURPFAHZFXKY-ZYHUDNBSSA-N 1 3 253.346 -0.519 20 0 CBADHO COC(=O)[C@H]1CNCCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001222414838 825210919 /nfs/dbraw/zinc/21/09/19/825210919.db2.gz ORVSVMXTWBJEEF-WDEREUQCSA-N 1 3 271.361 -0.452 20 0 CBADHO C[NH+]1CCC(OCC(=O)NC2CCN(CCO)CC2)CC1 ZINC001229807712 825337487 /nfs/dbraw/zinc/33/74/87/825337487.db2.gz WSJGQYGZDSECPQ-UHFFFAOYSA-N 1 3 299.415 -0.330 20 0 CBADHO Cn1cc(CN2CC3(C2)CC[NH+](C)CC3)c(=O)n(C)c1=O ZINC001231774340 825416975 /nfs/dbraw/zinc/41/69/75/825416975.db2.gz RJZTYJYKRYAKLP-UHFFFAOYSA-N 1 3 292.383 -0.388 20 0 CBADHO [NH3+]CCN1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001235516488 825499612 /nfs/dbraw/zinc/49/96/12/825499612.db2.gz JKZHEGWLQYFQFO-NWDGAFQWSA-N 1 3 263.345 -0.427 20 0 CBADHO C[C@@H](N)C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542319 825501535 /nfs/dbraw/zinc/50/15/35/825501535.db2.gz QFSNHFRWUOHQNY-BZPMIXESSA-N 1 3 285.388 -0.613 20 0 CBADHO C[C@@H](N)C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542319 825501537 /nfs/dbraw/zinc/50/15/37/825501537.db2.gz QFSNHFRWUOHQNY-BZPMIXESSA-N 1 3 285.388 -0.613 20 0 CBADHO CN(CCN1CCN(C)CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949342 825518645 /nfs/dbraw/zinc/51/86/45/825518645.db2.gz FKRDIEIKNLYMDI-ZDUSSCGKSA-N 1 3 270.421 -0.110 20 0 CBADHO CC1(C)[NH2+]C[C@@H](CN2CC[C@H]3COC[C@@H](C2)N3)O1 ZINC001235990651 825519123 /nfs/dbraw/zinc/51/91/23/825519123.db2.gz HGHGLDHQEXCIGO-TUAOUCFPSA-N 1 3 255.362 -0.226 20 0 CBADHO COC(=O)[C@H]1C[N@H+](CC(C)(C)N2CCOCC2)C[C@H]1N ZINC001236344570 825528303 /nfs/dbraw/zinc/52/83/03/825528303.db2.gz RLPORHOMIBWCDF-NWDGAFQWSA-N 1 3 285.388 -0.471 20 0 CBADHO COC(=O)[C@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@H]1N ZINC001236344570 825528305 /nfs/dbraw/zinc/52/83/05/825528305.db2.gz RLPORHOMIBWCDF-NWDGAFQWSA-N 1 3 285.388 -0.471 20 0 CBADHO NCCS(=O)(=O)Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC001237552715 825536658 /nfs/dbraw/zinc/53/66/58/825536658.db2.gz JEZFXSDZXCOKGB-SECBINFHSA-N 1 3 285.373 -0.681 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@@H]1CC[NH2+]C[C@H]1F ZINC001238049047 825545033 /nfs/dbraw/zinc/54/50/33/825545033.db2.gz CUTHIISXLOTRJT-GHMZBOCLSA-N 1 3 279.381 -0.395 20 0 CBADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)C1CC1 ZINC001238242736 825550390 /nfs/dbraw/zinc/55/03/90/825550390.db2.gz QGPJPBGVUSFZLO-SNVBAGLBSA-N 1 3 273.402 -0.058 20 0 CBADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)C1CC1 ZINC001238242736 825550397 /nfs/dbraw/zinc/55/03/97/825550397.db2.gz QGPJPBGVUSFZLO-SNVBAGLBSA-N 1 3 273.402 -0.058 20 0 CBADHO NCCS(=O)(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001238485095 825554666 /nfs/dbraw/zinc/55/46/66/825554666.db2.gz KPTGMIHXXZVCCS-MNOVXSKESA-N 1 3 261.391 -0.213 20 0 CBADHO NCCS(=O)(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001238485097 825554750 /nfs/dbraw/zinc/55/47/50/825554750.db2.gz KPTGMIHXXZVCCS-WDEREUQCSA-N 1 3 261.391 -0.213 20 0 CBADHO COCCC1(CNS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238813264 825564425 /nfs/dbraw/zinc/56/44/25/825564425.db2.gz CKIAVXQHWNZEPM-UHFFFAOYSA-N 1 3 279.406 -0.729 20 0 CBADHO NCCS(=O)(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001238885444 825568535 /nfs/dbraw/zinc/56/85/35/825568535.db2.gz MSDAZFHTBUWDAU-LLVKDONJSA-N 1 3 261.391 -0.213 20 0 CBADHO O=S(=O)(NC[C@@H]1CCNC[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238896261 825569942 /nfs/dbraw/zinc/56/99/42/825569942.db2.gz VXPQNLRGWOGWAO-AEJSXWLSSA-N 1 3 265.354 -0.785 20 0 CBADHO NCCS(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001238919900 825572454 /nfs/dbraw/zinc/57/24/54/825572454.db2.gz XCEVXNLLIJKQQE-UHFFFAOYSA-N 1 3 261.391 -0.260 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001238999737 825582152 /nfs/dbraw/zinc/58/21/52/825582152.db2.gz JPYPBKNGXNXWMW-NSHDSACASA-N 1 3 261.391 -0.260 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@]12CCC[NH2+]CC2 ZINC001239004225 825582639 /nfs/dbraw/zinc/58/26/39/825582639.db2.gz WVSHRTUWPONJIH-NSHDSACASA-N 1 3 261.391 -0.117 20 0 CBADHO NCCS(=O)(=O)N1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001239073431 825585604 /nfs/dbraw/zinc/58/56/04/825585604.db2.gz MZQLCLQMRSACHL-ZJUUUORDSA-N 1 3 265.354 -0.702 20 0 CBADHO NCCS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001239105241 825587454 /nfs/dbraw/zinc/58/74/54/825587454.db2.gz CXFOCWSREIYHEQ-KGLIPLIRSA-N 1 3 295.408 -0.252 20 0 CBADHO NCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001239136799 825593720 /nfs/dbraw/zinc/59/37/20/825593720.db2.gz MRFCYQJXNJRCRZ-NKWVEPMBSA-N 1 3 275.296 -0.514 20 0 CBADHO CC(C)CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CCN ZINC001239148333 825594852 /nfs/dbraw/zinc/59/48/52/825594852.db2.gz DBSJVMWRVZXUTK-LLVKDONJSA-N 1 3 263.407 -0.015 20 0 CBADHO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977951 825616787 /nfs/dbraw/zinc/61/67/87/825616787.db2.gz YKTGWTLOXLBXKC-GMXVVIOVSA-N 1 3 278.368 -0.186 20 0 CBADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC001246017053 825620633 /nfs/dbraw/zinc/62/06/33/825620633.db2.gz PZDRSNIFOAEEPX-RWMBFGLXSA-N 1 3 257.378 -0.509 20 0 CBADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@H](O)CN1CCOCC1 ZINC001246017053 825620638 /nfs/dbraw/zinc/62/06/38/825620638.db2.gz PZDRSNIFOAEEPX-RWMBFGLXSA-N 1 3 257.378 -0.509 20 0 CBADHO [NH3+][C@H]1CCCN(C[C@H](O)CN2CCOCC2)CC1 ZINC001246018971 825622003 /nfs/dbraw/zinc/62/20/03/825622003.db2.gz ZYFZUFLXSRCNFP-STQMWFEESA-N 1 3 257.378 -0.507 20 0 CBADHO CCOC(=O)C[C@H](O)CN[C@@H](CCCC[NH3+])C(=O)NC ZINC001246019583 825623181 /nfs/dbraw/zinc/62/31/81/825623181.db2.gz LEMXIGZKXALWRD-QWRGUYRKSA-N 1 3 289.376 -0.866 20 0 CBADHO CC[NH+](CC)C[C@H](O)CN1CCNC[C@H]1C(=O)OC ZINC001246047415 825629558 /nfs/dbraw/zinc/62/95/58/825629558.db2.gz DRXVSHRLZIZZCL-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO COC(=O)CC[C@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084976 825633480 /nfs/dbraw/zinc/63/34/80/825633480.db2.gz VBFDLSWRLCWDHS-JBLDHEPKSA-N 1 3 262.325 -0.020 20 0 CBADHO O=C1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1C1CC1 ZINC001246085475 825634099 /nfs/dbraw/zinc/63/40/99/825634099.db2.gz WZAIRHASRJGOLG-VHRBIJSZSA-N 1 3 285.363 -0.208 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)CN1 ZINC001246094522 825634446 /nfs/dbraw/zinc/63/44/46/825634446.db2.gz NBCKNYBSHRMWTO-UTUOFQBUSA-N 1 3 255.362 -0.131 20 0 CBADHO O[C@@]1(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CCNC[C@@H]1F ZINC001246088028 825635371 /nfs/dbraw/zinc/63/53/71/825635371.db2.gz HPWYDNSWLXEJGK-FVCCEPFGSA-N 1 3 298.366 -0.191 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129406 825639401 /nfs/dbraw/zinc/63/94/01/825639401.db2.gz CRNGSJQDEIRVII-WOPDTQHZSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)CC2)CN1 ZINC001246182814 825647086 /nfs/dbraw/zinc/64/70/86/825647086.db2.gz AAEABULWUNIFQB-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO NC(=O)[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246194065 825648306 /nfs/dbraw/zinc/64/83/06/825648306.db2.gz WXMYVRJEDXXCBA-STQMWFEESA-N 1 3 274.368 -0.103 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246200138 825649955 /nfs/dbraw/zinc/64/99/55/825649955.db2.gz OQFGBGDNBBUSAJ-SRVKXCTJSA-N 1 3 255.362 -0.131 20 0 CBADHO O=C1CCNC[C@H]1NC1CCC2(CC1)C[NH2+]CCO2 ZINC001246288211 825660111 /nfs/dbraw/zinc/66/01/11/825660111.db2.gz HPUZOSZWSMFQQK-MBHSVXNSSA-N 1 3 267.373 -0.192 20 0 CBADHO OC[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306957 825663001 /nfs/dbraw/zinc/66/30/01/825663001.db2.gz CIZDTXPXSJXPJM-AAEUAGOBSA-N 1 3 262.357 -0.201 20 0 CBADHO O=C1CNCCN1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246349152 825667640 /nfs/dbraw/zinc/66/76/40/825667640.db2.gz BARKLIWQZMIKHA-FOSCPWQOSA-N 1 3 252.362 -0.709 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368489 825669007 /nfs/dbraw/zinc/66/90/07/825669007.db2.gz CKFNQOLEURCSGF-SCRDCRAPSA-N 1 3 296.415 -0.694 20 0 CBADHO CC(=O)N1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246412405 825671882 /nfs/dbraw/zinc/67/18/82/825671882.db2.gz CNQXRDDDWUTNSE-QWRGUYRKSA-N 1 3 256.350 -0.820 20 0 CBADHO CCN1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CC1=O ZINC001246420715 825673076 /nfs/dbraw/zinc/67/30/76/825673076.db2.gz ZHYSUQYRDHHFRW-QWRGUYRKSA-N 1 3 270.377 -0.430 20 0 CBADHO Cc1nc(=N)n([C@@H]2CCNC3(C[NH2+]C3)C2)cc1CN ZINC001246479574 825675976 /nfs/dbraw/zinc/67/59/76/825675976.db2.gz UEFXJAGGBGOPLN-LLVKDONJSA-N 1 3 262.361 -0.604 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246544744 825682983 /nfs/dbraw/zinc/68/29/83/825682983.db2.gz SLVZVVUNDJHASJ-VNHYZAJKSA-N 1 3 299.415 -0.154 20 0 CBADHO COC(=O)[C@H]1CCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246554420 825684758 /nfs/dbraw/zinc/68/47/58/825684758.db2.gz WOYZUGRNFMNWDO-WDEREUQCSA-N 1 3 253.346 -0.282 20 0 CBADHO COC(=O)[C@@]1(F)CCN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548558 825685148 /nfs/dbraw/zinc/68/51/48/825685148.db2.gz IZOCEUWXAORKHV-GXFFZTMASA-N 1 3 271.336 -0.333 20 0 CBADHO [NH3+]C[C@H]1CN([C@H]2CCN(C3CC3)C(=O)C2)C[C@@H]1O ZINC001246578976 825688901 /nfs/dbraw/zinc/68/89/01/825688901.db2.gz DJGUMKBAACKLMI-DLOVCJGASA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579364 825689607 /nfs/dbraw/zinc/68/96/07/825689607.db2.gz IVBRGOJGVBYKQL-QJPTWQEYSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579364 825689610 /nfs/dbraw/zinc/68/96/10/825689610.db2.gz IVBRGOJGVBYKQL-QJPTWQEYSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585210 825690587 /nfs/dbraw/zinc/69/05/87/825690587.db2.gz OVOADNQPNRZOBA-YFKTTZPYSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585210 825690589 /nfs/dbraw/zinc/69/05/89/825690589.db2.gz OVOADNQPNRZOBA-YFKTTZPYSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580769 825690792 /nfs/dbraw/zinc/69/07/92/825690792.db2.gz OVOADNQPNRZOBA-IRCOFANPSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580769 825690796 /nfs/dbraw/zinc/69/07/96/825690796.db2.gz OVOADNQPNRZOBA-IRCOFANPSA-N 1 3 266.349 -0.592 20 0 CBADHO C[C@@H]1CC[C@H](N2CCOC[C@]3(CNCCO3)C2)C[NH2+]1 ZINC001246599341 825693618 /nfs/dbraw/zinc/69/36/18/825693618.db2.gz CHTSCUAAMKNDNY-RDBSUJKOSA-N 1 3 269.389 -0.182 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@H]3C[NH2+]CC[C@H]32)CN1 ZINC001246631396 825698284 /nfs/dbraw/zinc/69/82/84/825698284.db2.gz SJMCFDQSTSEISG-QNWHQSFQSA-N 1 3 267.373 -0.036 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)CN1 ZINC001246631396 825698286 /nfs/dbraw/zinc/69/82/86/825698286.db2.gz SJMCFDQSTSEISG-QNWHQSFQSA-N 1 3 267.373 -0.036 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3CNCC[C@H]32)CN1 ZINC001246631396 825698287 /nfs/dbraw/zinc/69/82/87/825698287.db2.gz SJMCFDQSTSEISG-QNWHQSFQSA-N 1 3 267.373 -0.036 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(C)C[C@H]3C2)CN1 ZINC001246841782 825720140 /nfs/dbraw/zinc/72/01/40/825720140.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 1 3 253.346 -0.617 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(C)C[C@H]3C2)CN1 ZINC001246841782 825720145 /nfs/dbraw/zinc/72/01/45/825720145.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 1 3 253.346 -0.617 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CN1 ZINC001246840606 825720684 /nfs/dbraw/zinc/72/06/84/825720684.db2.gz IYRXSVFOBCDZMF-RNJOBUHISA-N 1 3 267.373 -0.227 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CN1 ZINC001246840606 825720691 /nfs/dbraw/zinc/72/06/91/825720691.db2.gz IYRXSVFOBCDZMF-RNJOBUHISA-N 1 3 267.373 -0.227 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246857295 825722370 /nfs/dbraw/zinc/72/23/70/825722370.db2.gz OEAFTKCWNWBJRD-ZJUUUORDSA-N 1 3 271.386 -0.719 20 0 CBADHO C[NH2+]C1CCC(N2CCNC[C@H]2C(=O)OC)CC1 ZINC001246857992 825722844 /nfs/dbraw/zinc/72/28/44/825722844.db2.gz YQKOCAXCQAVZNB-MCIGGMRASA-N 1 3 255.362 -0.036 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@H](N(C)CCN2CC[NH2+]CC2)CN1 ZINC001246869923 825725684 /nfs/dbraw/zinc/72/56/84/825725684.db2.gz JDMKKJYLYAFRPR-KBPBESRZSA-N 1 3 298.431 -0.493 20 0 CBADHO COC[C@H]1COCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914466 825732046 /nfs/dbraw/zinc/73/20/46/825732046.db2.gz LIPHPUPCGDDOSB-RYUDHWBXSA-N 1 3 255.362 -0.572 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CN1 ZINC001246978200 825737595 /nfs/dbraw/zinc/73/75/95/825737595.db2.gz VCQNZQYKMCBJDI-NGDQXYMTSA-N 1 3 253.346 -0.441 20 0 CBADHO FC(F)(F)[C@H]1CNCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985730 825739003 /nfs/dbraw/zinc/73/90/03/825739003.db2.gz BVESJHVBAGNXOC-VHSXEESVSA-N 1 3 278.322 -0.084 20 0 CBADHO C[NH+](C)CCNC(=S)NC1CCN(CCO)CC1 ZINC001249846690 825751057 /nfs/dbraw/zinc/75/10/57/825751057.db2.gz LWNTXGPVORCVRV-UHFFFAOYSA-N 1 3 274.434 -0.531 20 0 CBADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)CO)c2)CC1 ZINC001252069980 825827695 /nfs/dbraw/zinc/82/76/95/825827695.db2.gz HTRITPUQTFGPBR-INIZCTEOSA-N 1 3 293.411 -0.123 20 0 CBADHO COC(=O)[C@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252423139 825851169 /nfs/dbraw/zinc/85/11/69/825851169.db2.gz PCPSWBUPWJXCCC-CQSZACIVSA-N 1 3 299.415 -0.520 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C(=O)OC ZINC001253212820 825906687 /nfs/dbraw/zinc/90/66/87/825906687.db2.gz ISGXOYREPYQZKK-UPJWGTAASA-N 1 3 288.388 -0.143 20 0 CBADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@H]1CCC(=O)NC1 ZINC001253405364 825914156 /nfs/dbraw/zinc/91/41/56/825914156.db2.gz XLHWAGAPRIPLRI-MNOVXSKESA-N 1 3 257.378 -0.149 20 0 CBADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@H]1CCC(=O)NC1 ZINC001253405364 825914159 /nfs/dbraw/zinc/91/41/59/825914159.db2.gz XLHWAGAPRIPLRI-MNOVXSKESA-N 1 3 257.378 -0.149 20 0 CBADHO Nc1ccncc1-c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001254058509 825939147 /nfs/dbraw/zinc/93/91/47/825939147.db2.gz DPWXRTFIGLPNHI-VIFPVBQESA-N 1 3 260.301 -0.259 20 0 CBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CN[C@@H]2CCS(=O)(=O)C2)O1 ZINC001254320239 825951245 /nfs/dbraw/zinc/95/12/45/825951245.db2.gz NVVFGRLCOWKWBI-KKOKHZNYSA-N 1 3 292.401 -0.512 20 0 CBADHO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC001254511241 825966208 /nfs/dbraw/zinc/96/62/08/825966208.db2.gz XKTIEBBPKBJFOA-QWRGUYRKSA-N 1 3 271.361 -0.262 20 0 CBADHO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)CCN ZINC001255943793 825996089 /nfs/dbraw/zinc/99/60/89/825996089.db2.gz PURMGDHUABLGQI-SNVBAGLBSA-N 1 3 251.396 -0.015 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC001261460259 826516831 /nfs/dbraw/zinc/51/68/31/826516831.db2.gz XQVPVXUKRCUYNO-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)c1[nH]nc2c1CNCC2 ZINC001261460962 826517853 /nfs/dbraw/zinc/51/78/53/826517853.db2.gz UFFVVMCHTARMGY-QMMMGPOBSA-N 1 3 251.334 -0.217 20 0 CBADHO [NH3+]CCCCCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001261643790 826554481 /nfs/dbraw/zinc/55/44/81/826554481.db2.gz GEQXEKWKLADELJ-UHFFFAOYSA-N 1 3 267.333 -0.224 20 0 CBADHO [NH3+]CCN(CCO)Cc1nc2c(s1)CNCC2 ZINC001261648257 826556772 /nfs/dbraw/zinc/55/67/72/826556772.db2.gz YKLSUUONIFHBJA-UHFFFAOYSA-N 1 3 256.375 -0.458 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)[C@H](CN)OC)CC1 ZINC001262035421 826626969 /nfs/dbraw/zinc/62/69/69/826626969.db2.gz JIOYHVIAMUPDAN-NSHDSACASA-N 1 3 259.350 -0.813 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001262038989 826627423 /nfs/dbraw/zinc/62/74/23/826627423.db2.gz DYKWUDFUACJAPE-NNYUYHANSA-N 1 3 268.405 -0.232 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262072912 826632716 /nfs/dbraw/zinc/63/27/16/826632716.db2.gz CBOPQFGMHKADBD-FRRDWIJNSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(=O)NC[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001262195217 826657519 /nfs/dbraw/zinc/65/75/19/826657519.db2.gz TWOVJCNOKDYLSA-VOAKCMCISA-N 1 3 255.362 -0.315 20 0 CBADHO CCO[C@H](CCN(C)C)C[NH2+]CCS(C)(=O)=O ZINC001262570231 826711602 /nfs/dbraw/zinc/71/16/02/826711602.db2.gz QTQWXVYCUXFPHW-LLVKDONJSA-N 1 3 266.407 -0.023 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)[C@@H](N)C(C)(C)O ZINC001263096252 826736285 /nfs/dbraw/zinc/73/62/85/826736285.db2.gz LVLYXFSEZIBUQD-SNVBAGLBSA-N 1 3 261.366 -0.831 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)[C@@H](N)C(C)(C)O ZINC001263096252 826736294 /nfs/dbraw/zinc/73/62/94/826736294.db2.gz LVLYXFSEZIBUQD-SNVBAGLBSA-N 1 3 261.366 -0.831 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001263114346 826740953 /nfs/dbraw/zinc/74/09/53/826740953.db2.gz LMIZAUGAUAEFDD-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001263150779 826743671 /nfs/dbraw/zinc/74/36/71/826743671.db2.gz KSLRWZTWBXHYHG-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO CC(C)C[C@@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001263192027 826753034 /nfs/dbraw/zinc/75/30/34/826753034.db2.gz KZJUHXZOOQVUCI-GFCCVEGCSA-N 1 3 256.394 -0.101 20 0 CBADHO O=C(NCCCCC[NH+]1CCNCC1)[C@H]1CSCN1 ZINC001263207852 826754307 /nfs/dbraw/zinc/75/43/07/826754307.db2.gz SJYYNJWINJBYHV-GFCCVEGCSA-N 1 3 286.445 -0.159 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263274777 826761066 /nfs/dbraw/zinc/76/10/66/826761066.db2.gz LAHILPYXYZRFSR-XSRFYTQQSA-N 1 3 255.362 -0.313 20 0 CBADHO [NH3+]CCN1CCC[C@@H](C(=O)N2CCN3CC[C@H]2C3)C1=O ZINC001263330191 826764880 /nfs/dbraw/zinc/76/48/80/826764880.db2.gz DAHVCGPWGOJGLG-NWDGAFQWSA-N 1 3 280.372 -0.900 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)CCC1 ZINC001265358540 826883859 /nfs/dbraw/zinc/88/38/59/826883859.db2.gz LKVNYVQNWPRGNU-GFCCVEGCSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001265445102 826894623 /nfs/dbraw/zinc/89/46/23/826894623.db2.gz GEOXVOGNBDBABJ-ZJUUUORDSA-N 1 3 256.350 -0.998 20 0 CBADHO Cc1nc(CN[C@@H](C)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001265818531 826924174 /nfs/dbraw/zinc/92/41/74/826924174.db2.gz MELPNSZCESIZRE-VIFPVBQESA-N 1 3 268.365 -0.341 20 0 CBADHO Cc1nc(CN[C@H](C)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001265818530 826924277 /nfs/dbraw/zinc/92/42/77/826924277.db2.gz MELPNSZCESIZRE-SECBINFHSA-N 1 3 268.365 -0.341 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001265849394 826928688 /nfs/dbraw/zinc/92/86/88/826928688.db2.gz WOFMXJFWYLUFKW-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001265849394 826928692 /nfs/dbraw/zinc/92/86/92/826928692.db2.gz WOFMXJFWYLUFKW-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(N)=O ZINC001265851622 826928958 /nfs/dbraw/zinc/92/89/58/826928958.db2.gz QCHMKRIXBLNSLG-NXEZZACHSA-N 1 3 268.361 -0.950 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001265852563 826930866 /nfs/dbraw/zinc/93/08/66/826930866.db2.gz FVYHGDLXTFBUIH-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001266018293 826947176 /nfs/dbraw/zinc/94/71/76/826947176.db2.gz NVQKRFCOCZBQBL-MNOVXSKESA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037423 826949344 /nfs/dbraw/zinc/94/93/44/826949344.db2.gz RFGYXMKKPYEOKR-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCO)C1)N(C)C ZINC001266534170 827017107 /nfs/dbraw/zinc/01/71/07/827017107.db2.gz WIUFCGFWSLBTSN-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCO)C1)N(C)C ZINC001266534170 827017118 /nfs/dbraw/zinc/01/71/18/827017118.db2.gz WIUFCGFWSLBTSN-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)CC[N@H+]1C ZINC001266706662 827056388 /nfs/dbraw/zinc/05/63/88/827056388.db2.gz YOCIKIIQROXMQL-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)CC[N@@H+]1C ZINC001266706662 827056384 /nfs/dbraw/zinc/05/63/84/827056384.db2.gz YOCIKIIQROXMQL-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001266735034 827061780 /nfs/dbraw/zinc/06/17/80/827061780.db2.gz GCOALWGVBKTHLS-TXEJJXNPSA-N 1 3 257.378 -0.054 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCCN1CCO ZINC001266853814 827073891 /nfs/dbraw/zinc/07/38/91/827073891.db2.gz UJTCURXVYUIZSF-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001266902390 827079470 /nfs/dbraw/zinc/07/94/70/827079470.db2.gz UJVNNDZSASAFGX-KIJLLGNVSA-N 1 3 269.389 -0.246 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001266902390 827079477 /nfs/dbraw/zinc/07/94/77/827079477.db2.gz UJVNNDZSASAFGX-KIJLLGNVSA-N 1 3 269.389 -0.246 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072427 827112791 /nfs/dbraw/zinc/11/27/91/827112791.db2.gz ZRRCUSCRSWCSSD-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072427 827112796 /nfs/dbraw/zinc/11/27/96/827112796.db2.gz ZRRCUSCRSWCSSD-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(CCNCc1cncn1C)C(=O)CC[NH+](C)C ZINC001267424617 827169859 /nfs/dbraw/zinc/16/98/59/827169859.db2.gz WOHIQMCPKDVUJL-UHFFFAOYSA-N 1 3 267.377 -0.080 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581738 827371837 /nfs/dbraw/zinc/37/18/37/827371837.db2.gz JZUUBVFVYUHRBN-WYGGZMRJSA-N 1 3 282.388 -0.536 20 0 CBADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001268590903 827372643 /nfs/dbraw/zinc/37/26/43/827372643.db2.gz KRKLVGFRYYTPHU-JDGPPOGSSA-N 1 3 255.362 -0.418 20 0 CBADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001268590902 827374168 /nfs/dbraw/zinc/37/41/68/827374168.db2.gz KRKLVGFRYYTPHU-DLGQBQFBSA-N 1 3 255.362 -0.418 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595064 827375842 /nfs/dbraw/zinc/37/58/42/827375842.db2.gz GTLZPMVIKTYNKS-AAOUONPWSA-N 1 3 296.415 -0.146 20 0 CBADHO CN(CC(=O)N1CC2(C1)CN(C1CCCC1)C2)C(N)=[NH2+] ZINC001268995877 827446179 /nfs/dbraw/zinc/44/61/79/827446179.db2.gz DNSWKMQBIYVRIX-UHFFFAOYSA-N 1 3 279.388 -0.102 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001269078208 827461392 /nfs/dbraw/zinc/46/13/92/827461392.db2.gz CHTQKWCQDKRSGE-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001269078208 827461393 /nfs/dbraw/zinc/46/13/93/827461393.db2.gz CHTQKWCQDKRSGE-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCO ZINC001269472129 827513296 /nfs/dbraw/zinc/51/32/96/827513296.db2.gz VSULKBZFCOMGKC-RYUDHWBXSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001271210610 827677750 /nfs/dbraw/zinc/67/77/50/827677750.db2.gz YSGRJXDUVSUWNK-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO C[C@H](C[NH2+]CCO)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001271100271 827622775 /nfs/dbraw/zinc/62/27/75/827622775.db2.gz GUJFDMFEXPQEBR-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO CCN1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271996211 827748878 /nfs/dbraw/zinc/74/88/78/827748878.db2.gz JOBQJUVZWZOJBS-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271996211 827748881 /nfs/dbraw/zinc/74/88/81/827748881.db2.gz JOBQJUVZWZOJBS-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO CC(C)(C(=O)N(CCO)CC[NH2+]CCO)N1CCCC1 ZINC001272224629 827771254 /nfs/dbraw/zinc/77/12/54/827771254.db2.gz GMUWBHUWFGLGQD-UHFFFAOYSA-N 1 3 287.404 -0.736 20 0 CBADHO CN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273516782 827906573 /nfs/dbraw/zinc/90/65/73/827906573.db2.gz FOBFOCGSIFQRAP-ZDUSSCGKSA-N 1 3 255.362 -0.271 20 0 CBADHO CN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273516780 827906859 /nfs/dbraw/zinc/90/68/59/827906859.db2.gz FOBFOCGSIFQRAP-CYBMUJFWSA-N 1 3 255.362 -0.271 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001275203760 828067354 /nfs/dbraw/zinc/06/73/54/828067354.db2.gz XDSMRRZDIBHJEE-LPEHRKFASA-N 1 3 258.366 -0.705 20 0 CBADHO CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C)CC3)[C@H]2C1 ZINC001275047260 828051377 /nfs/dbraw/zinc/05/13/77/828051377.db2.gz RZNUBROYJUQPOI-STQMWFEESA-N 1 3 280.416 -0.310 20 0 CBADHO CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(C)CC3)[C@H]2C1 ZINC001275047260 828051383 /nfs/dbraw/zinc/05/13/83/828051383.db2.gz RZNUBROYJUQPOI-STQMWFEESA-N 1 3 280.416 -0.310 20 0 CBADHO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001276076411 828133203 /nfs/dbraw/zinc/13/32/03/828133203.db2.gz OWPFJQVPMZYZTC-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001277299120 828182022 /nfs/dbraw/zinc/18/20/22/828182022.db2.gz MJNACKCGTNLZPG-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](O)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277959940 828222761 /nfs/dbraw/zinc/22/27/61/828222761.db2.gz DETKVXCQMXFOPY-RWMBFGLXSA-N 1 3 257.378 -0.686 20 0 CBADHO C[C@H](O)CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277961036 828223704 /nfs/dbraw/zinc/22/37/04/828223704.db2.gz PZJDDUXAZNFNES-XQQFMLRXSA-N 1 3 257.378 -0.686 20 0 CBADHO CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCN1C(C)C ZINC001278077312 828241913 /nfs/dbraw/zinc/24/19/13/828241913.db2.gz IFWIYAYRYQOYGZ-VXGBXAGGSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[NH+]1CCC(CN2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001278134572 828250628 /nfs/dbraw/zinc/25/06/28/828250628.db2.gz QXWSMQUVDGWGEI-NWDGAFQWSA-N 1 3 280.372 -0.110 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)CN1CCCC1 ZINC001278423193 828269951 /nfs/dbraw/zinc/26/99/51/828269951.db2.gz IHFPULJVUJPKHF-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001348082908 890558433 /nfs/dbraw/zinc/55/84/33/890558433.db2.gz NMMUPNBUMOPOIR-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC001351013994 891091163 /nfs/dbraw/zinc/09/11/63/891091163.db2.gz WVZVIWCAZRJXJH-NSHDSACASA-N 1 3 255.362 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187321541 884718962 /nfs/dbraw/zinc/71/89/62/884718962.db2.gz CQJYRAIXCIKOHP-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO CN1CC[NH+](CC2CCN(C(=O)CN)CC2)CC1 ZINC001326307467 884982287 /nfs/dbraw/zinc/98/22/87/884982287.db2.gz ZJPYTSWJZFTQNT-UHFFFAOYSA-N 1 3 254.378 -0.569 20 0 CBADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC001328438520 885687446 /nfs/dbraw/zinc/68/74/46/885687446.db2.gz ZTUJOXHHXHTDGR-HZSPNIEDSA-N 1 3 269.389 -0.494 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001329651273 886161304 /nfs/dbraw/zinc/16/13/04/886161304.db2.gz IEZNFAYLSPDJAF-LBPRGKRZSA-N 1 3 268.405 -0.180 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331957189 887062254 /nfs/dbraw/zinc/06/22/54/887062254.db2.gz IOFKISLIDYXLLJ-NSHDSACASA-N 1 3 272.393 -0.362 20 0 CBADHO N[C@H](CC(F)F)C(=O)NCCCN1CC[NH2+]CC1 ZINC001332393492 887256795 /nfs/dbraw/zinc/25/67/95/887256795.db2.gz HZPBWCUNKANENP-SECBINFHSA-N 1 3 264.320 -0.620 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001333000130 887498854 /nfs/dbraw/zinc/49/88/54/887498854.db2.gz LUHIQZNJCRMAFU-YUSALJHKSA-N 1 3 266.345 -0.215 20 0 CBADHO COCC1(CNC(=O)[C@H](CN)OC)CC[NH2+]CC1 ZINC001333178568 887551354 /nfs/dbraw/zinc/55/13/54/887551354.db2.gz QZJOTSLHIVGQPU-JTQLQIEISA-N 1 3 259.350 -0.908 20 0 CBADHO Cc1cnc(CNC[C@@H](O)CN2CC[NH+](C)CC2)o1 ZINC001335426485 888533115 /nfs/dbraw/zinc/53/31/15/888533115.db2.gz STDVQCIEOVYHGL-GFCCVEGCSA-N 1 3 268.361 -0.319 20 0 CBADHO C[C@@H]1CN(c2nccnc2C[NH3+])[C@@H](C)CN1CCO ZINC001336659661 888837105 /nfs/dbraw/zinc/83/71/05/888837105.db2.gz CUEYUWSRLJRWLR-MNOVXSKESA-N 1 3 265.361 -0.173 20 0 CBADHO Cn1ncnc1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC001336833578 888894816 /nfs/dbraw/zinc/89/48/16/888894816.db2.gz JGMHFGRETALSSG-GFCCVEGCSA-N 1 3 267.377 -0.206 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC001340891621 889506035 /nfs/dbraw/zinc/50/60/35/889506035.db2.gz BAGNPTIOYPLEKM-DJIHRAIXSA-N 1 3 269.389 -0.198 20 0 CBADHO CN1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001340825266 889492643 /nfs/dbraw/zinc/49/26/43/889492643.db2.gz WXTMDARGRYQKIG-AAEUAGOBSA-N 1 3 255.362 -0.299 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001340941381 889519250 /nfs/dbraw/zinc/51/92/50/889519250.db2.gz SRJZOBWRUGXNMS-NQBHXWOUSA-N 1 3 252.362 -0.709 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001340977448 889527054 /nfs/dbraw/zinc/52/70/54/889527054.db2.gz IDEKQSPSERGBFM-BDAKNGLRSA-N 1 3 257.334 -0.537 20 0 CBADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143267 889549008 /nfs/dbraw/zinc/54/90/08/889549008.db2.gz DXVNJBLPKATUHL-GRYCIOLGSA-N 1 3 254.378 -0.511 20 0 CBADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNCCN2C)C1 ZINC001341672297 889646094 /nfs/dbraw/zinc/64/60/94/889646094.db2.gz CUYOETAQIMEBDM-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNCCN2C)C1 ZINC001341672297 889646104 /nfs/dbraw/zinc/64/61/04/889646104.db2.gz CUYOETAQIMEBDM-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C[NH2+]C1 ZINC001341924383 889683116 /nfs/dbraw/zinc/68/31/16/889683116.db2.gz RYMJLPJEYBKWQT-NEPJUHHUSA-N 1 3 267.373 -0.347 20 0 CBADHO COC1(C(=O)N[C@@H]2COC3(CNC3)C2)CC[NH2+]CC1 ZINC001342113299 889715043 /nfs/dbraw/zinc/71/50/43/889715043.db2.gz PHVYGDXKFGIFLY-JTQLQIEISA-N 1 3 269.345 -0.998 20 0 CBADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc2c(s1)CCNC2 ZINC001342176012 889726288 /nfs/dbraw/zinc/72/62/88/889726288.db2.gz MOPIRBUSIYSGHR-DTWKUNHWSA-N 1 3 267.354 -0.544 20 0 CBADHO C[C@H]1[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CCN1C ZINC001342569260 889792757 /nfs/dbraw/zinc/79/27/57/889792757.db2.gz IQYGXKNCZSVHSQ-UWVGGRQHSA-N 1 3 266.349 -0.551 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444825 889909799 /nfs/dbraw/zinc/90/97/99/889909799.db2.gz MPIAQUSYSQWZNV-PIKCZWBCSA-N 1 3 267.373 -0.315 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001343507261 889924552 /nfs/dbraw/zinc/92/45/52/889924552.db2.gz ILQGYXAVIFFLDX-MNOVXSKESA-N 1 3 252.362 -0.852 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)C1 ZINC001344010927 889990382 /nfs/dbraw/zinc/99/03/82/889990382.db2.gz GZFUFZBJXJZETQ-AXFHLTTASA-N 1 3 253.346 -0.249 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001444717452 912497629 /nfs/dbraw/zinc/49/76/29/912497629.db2.gz HRENLEFYXHKFND-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@@H](O)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001345098834 890100004 /nfs/dbraw/zinc/10/00/04/890100004.db2.gz WZKKXLLMRCMREI-UMSGYPCISA-N 1 3 258.362 -0.260 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444763069 912503905 /nfs/dbraw/zinc/50/39/05/912503905.db2.gz WHQRATQPUGRXEY-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444763069 912503929 /nfs/dbraw/zinc/50/39/29/912503929.db2.gz WHQRATQPUGRXEY-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001445200521 912597954 /nfs/dbraw/zinc/59/79/54/912597954.db2.gz UBPQEMCDNXFBNS-NEPJUHHUSA-N 1 3 287.404 -0.428 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445301589 912628475 /nfs/dbraw/zinc/62/84/75/912628475.db2.gz AMWULAFQWUDGCC-WCQYABFASA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN(C)C(C)C ZINC001445335945 912636748 /nfs/dbraw/zinc/63/67/48/912636748.db2.gz WBCMIYOFPWRYCQ-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001445479750 912671859 /nfs/dbraw/zinc/67/18/59/912671859.db2.gz GHWWHGCJESRXPS-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445482144 912675515 /nfs/dbraw/zinc/67/55/15/912675515.db2.gz PHQDHUGZIWMIBM-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001445480740 912676230 /nfs/dbraw/zinc/67/62/30/912676230.db2.gz JJGMZPZAEUJPOY-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001445618809 912715574 /nfs/dbraw/zinc/71/55/74/912715574.db2.gz WQMOVLWHIATTKV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445650421 912724193 /nfs/dbraw/zinc/72/41/93/912724193.db2.gz VWCXAJFXCOKBEW-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445650421 912724204 /nfs/dbraw/zinc/72/42/04/912724204.db2.gz VWCXAJFXCOKBEW-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001445655345 912729973 /nfs/dbraw/zinc/72/99/73/912729973.db2.gz KABDDUUQZLDKBH-QWRGUYRKSA-N 1 3 272.393 -0.315 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001445661021 912729424 /nfs/dbraw/zinc/72/94/24/912729424.db2.gz YUJZOLREJRQPKJ-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CN1CCC[C@H](NC2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001446225027 912839216 /nfs/dbraw/zinc/83/92/16/912839216.db2.gz CEQLXQUQCGGUFJ-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001187321488 884717466 /nfs/dbraw/zinc/71/74/66/884717466.db2.gz AKVYMWICLFDMPP-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001188146143 884721383 /nfs/dbraw/zinc/72/13/83/884721383.db2.gz WAAWEDRMWJNNLF-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001188145964 884721781 /nfs/dbraw/zinc/72/17/81/884721781.db2.gz TXZVFMBLBBCWRW-VXGBXAGGSA-N 1 3 282.388 -0.594 20 0 CBADHO CC(=O)N1CCC[C@H](CN2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206464531 884758284 /nfs/dbraw/zinc/75/82/84/884758284.db2.gz PWVFTHPAVSFCHQ-FRRDWIJNSA-N 1 3 255.362 -0.504 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210810675 884766048 /nfs/dbraw/zinc/76/60/48/884766048.db2.gz CKOIEHINGFSTPD-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO COCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374622 884778481 /nfs/dbraw/zinc/77/84/81/884778481.db2.gz ODMCUFGAOXVPMW-CHWSQXEVSA-N 1 3 287.404 -0.210 20 0 CBADHO [NH3+][C@@H](C(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC001326292806 884972736 /nfs/dbraw/zinc/97/27/36/884972736.db2.gz LBPMGWOVISNOLV-NWDGAFQWSA-N 1 3 255.362 -0.001 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC001326408362 885021418 /nfs/dbraw/zinc/02/14/18/885021418.db2.gz JRHTUSNHGYCWGP-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001326407430 885021581 /nfs/dbraw/zinc/02/15/81/885021581.db2.gz CXMQRBTUSOHKMF-WDNDVIMCSA-N 1 3 280.416 -0.404 20 0 CBADHO COC1CCN(CCNC(=O)COCC[NH3+])CC1 ZINC001326811083 885162875 /nfs/dbraw/zinc/16/28/75/885162875.db2.gz SCOCXNRIUMVESI-UHFFFAOYSA-N 1 3 259.350 -0.811 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446577267 912910773 /nfs/dbraw/zinc/91/07/73/912910773.db2.gz WWGKDYLJCWZMGU-SMDDNHRTSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001327064021 885240491 /nfs/dbraw/zinc/24/04/91/885240491.db2.gz LIMONUBBQPQTHM-LBPRGKRZSA-N 1 3 273.377 -0.863 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CC[C@@H]1CC[NH2+]C1 ZINC001327087981 885253974 /nfs/dbraw/zinc/25/39/74/885253974.db2.gz WAMSUYUGZPRFAQ-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001446630387 912914719 /nfs/dbraw/zinc/91/47/19/912914719.db2.gz XAIWFHDLONHWLD-AWEZNQCLSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@@H](N)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001327179926 885275730 /nfs/dbraw/zinc/27/57/30/885275730.db2.gz BXYLOXJQYTVULG-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC=CC1 ZINC001327463363 885364083 /nfs/dbraw/zinc/36/40/83/885364083.db2.gz OWTKQJGUOSMGBB-UHFFFAOYSA-N 1 3 296.415 -0.227 20 0 CBADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@H]3CNCCO3)CC2)C1 ZINC001327562200 885406991 /nfs/dbraw/zinc/40/69/91/885406991.db2.gz JXFBYLVKPPUMJK-HUUCEWRRSA-N 1 3 282.432 -0.313 20 0 CBADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@H]3CNCCO3)CC2)C1 ZINC001327562200 885407002 /nfs/dbraw/zinc/40/70/02/885407002.db2.gz JXFBYLVKPPUMJK-HUUCEWRRSA-N 1 3 282.432 -0.313 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCC[NH2+]2)n1 ZINC001327584089 885416534 /nfs/dbraw/zinc/41/65/34/885416534.db2.gz OIILXXOZYFZQBP-VIFPVBQESA-N 1 3 265.317 -0.601 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2([NH3+])CCCC2)n1 ZINC001327938238 885536334 /nfs/dbraw/zinc/53/63/34/885536334.db2.gz ANSBBTUFZCCBIJ-UHFFFAOYSA-N 1 3 265.317 -0.471 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001446942047 912983232 /nfs/dbraw/zinc/98/32/32/912983232.db2.gz ODTRGIAACPYKLY-NEPJUHHUSA-N 1 3 284.404 -0.502 20 0 CBADHO CN(CCC[NH3+])Cc1cn(C[C@@H]2CNCCO2)nn1 ZINC001329245852 885982353 /nfs/dbraw/zinc/98/23/53/885982353.db2.gz VQVCKLYDUYIVLE-LBPRGKRZSA-N 1 3 268.365 -0.953 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)CCC1 ZINC001330609943 886501192 /nfs/dbraw/zinc/50/11/92/886501192.db2.gz JSSPJOBMUVGUOT-HAQNSBGRSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@H]([NH3+])CC(=O)NCCCCN1CCN(C)CC1 ZINC001331043143 886657081 /nfs/dbraw/zinc/65/70/81/886657081.db2.gz TYRBCUUJUPZPON-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC001331168074 886707933 /nfs/dbraw/zinc/70/79/33/886707933.db2.gz ZKEROQYBFUAJJO-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCO ZINC001331468987 886814074 /nfs/dbraw/zinc/81/40/74/886814074.db2.gz FZSMHJCEKYDTII-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331689012 886907613 /nfs/dbraw/zinc/90/76/13/886907613.db2.gz IKTBZOPCTYHYFB-MNOVXSKESA-N 1 3 263.345 -0.155 20 0 CBADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC001331705661 886921580 /nfs/dbraw/zinc/92/15/80/886921580.db2.gz HGMXZSBDEHNANK-YNEHKIRRSA-N 1 3 294.399 -0.641 20 0 CBADHO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001331713154 886930365 /nfs/dbraw/zinc/93/03/65/886930365.db2.gz VCMRYYZRINQPFL-ZJUUUORDSA-N 1 3 257.309 -0.865 20 0 CBADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CC1)N(C)C ZINC001331737831 886946666 /nfs/dbraw/zinc/94/66/66/886946666.db2.gz DHANCVGUZCPLEG-VXGBXAGGSA-N 1 3 257.378 -0.197 20 0 CBADHO CCOCCN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331834405 887006573 /nfs/dbraw/zinc/00/65/73/887006573.db2.gz HLZGUPIAHHYLJS-NEPJUHHUSA-N 1 3 273.377 -0.959 20 0 CBADHO CCOCCN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331834405 887006581 /nfs/dbraw/zinc/00/65/81/887006581.db2.gz HLZGUPIAHHYLJS-NEPJUHHUSA-N 1 3 273.377 -0.959 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001331969356 887068000 /nfs/dbraw/zinc/06/80/00/887068000.db2.gz OIJBIOSGYFZQIE-RNFRBKRXSA-N 1 3 257.256 -0.254 20 0 CBADHO CN(C)CCN1NC(=O)CC2(CC[NH+](C)CC2)C1=O ZINC001332221667 887159535 /nfs/dbraw/zinc/15/95/35/887159535.db2.gz IGWQDDYEMIGLCG-UHFFFAOYSA-N 1 3 268.361 -0.477 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332293106 887186022 /nfs/dbraw/zinc/18/60/22/887186022.db2.gz WQOBBBRVZCKDLN-MELADBBJSA-N 1 3 280.416 -0.262 20 0 CBADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001447822846 913134813 /nfs/dbraw/zinc/13/48/13/913134813.db2.gz KJGMBXYSTHUFSL-UHFFFAOYSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001447818229 913136025 /nfs/dbraw/zinc/13/60/25/913136025.db2.gz FHDWAVDDGNJTNH-ORHYLEIMSA-N 1 3 298.431 -0.197 20 0 CBADHO COCC[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001332567313 887358527 /nfs/dbraw/zinc/35/85/27/887358527.db2.gz UOKQGRLDRLXOMJ-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CCC[NH2+]C1CC1 ZINC001332815745 887438458 /nfs/dbraw/zinc/43/84/58/887438458.db2.gz KORYORXJQLPBPJ-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO CCN(C(=O)[C@@H](N)CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC001333274248 887579745 /nfs/dbraw/zinc/57/97/45/887579745.db2.gz ZRDOEOSWJCQART-ZJUUUORDSA-N 1 3 257.334 -0.523 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333290797 887586693 /nfs/dbraw/zinc/58/66/93/887586693.db2.gz GLYCKNWYXOASHI-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH2+]CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333532323 887676202 /nfs/dbraw/zinc/67/62/02/887676202.db2.gz OWQUQMOVLZZCQG-GFCCVEGCSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333635651 887728455 /nfs/dbraw/zinc/72/84/55/887728455.db2.gz KBRNSTAIFUNMJC-IONNQARKSA-N 1 3 265.317 -0.745 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001333959295 887821341 /nfs/dbraw/zinc/82/13/41/887821341.db2.gz MSJYKAGOUODFSI-XQQFMLRXSA-N 1 3 294.399 -0.560 20 0 CBADHO c1ncn([C@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190599 888438144 /nfs/dbraw/zinc/43/81/44/888438144.db2.gz TUPDHLNFQQMFDY-NWDGAFQWSA-N 1 3 263.345 -0.097 20 0 CBADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC(N)=O ZINC001448210929 913259932 /nfs/dbraw/zinc/25/99/32/913259932.db2.gz CCLSYUJRRJGZLM-GFCCVEGCSA-N 1 3 295.387 -0.100 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001335623320 888584871 /nfs/dbraw/zinc/58/48/71/888584871.db2.gz YYDPUQYTGNXOPR-WRWGMCAJSA-N 1 3 268.361 -0.945 20 0 CBADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC(N)=O ZINC001448210930 913259561 /nfs/dbraw/zinc/25/95/61/913259561.db2.gz CCLSYUJRRJGZLM-LBPRGKRZSA-N 1 3 295.387 -0.100 20 0 CBADHO C[C@H]1CCN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001335986735 888667161 /nfs/dbraw/zinc/66/71/61/888667161.db2.gz PQIZSNXTXUZXBS-LSDHHAIUSA-N 1 3 284.448 -0.474 20 0 CBADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001336286176 888735390 /nfs/dbraw/zinc/73/53/90/888735390.db2.gz NULXIKUABRPORK-TXEJJXNPSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001336658857 888835888 /nfs/dbraw/zinc/83/58/88/888835888.db2.gz LPWCSKQOMRFXDQ-IJLUTSLNSA-N 1 3 254.378 -0.476 20 0 CBADHO CN(CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001337404088 889002400 /nfs/dbraw/zinc/00/24/00/889002400.db2.gz SITFKVHTSIZNCX-PHIMTYICSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585064 913320499 /nfs/dbraw/zinc/32/04/99/913320499.db2.gz BEZPURPFRGTRGI-JQWIXIFHSA-N 1 3 284.404 -0.362 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001339716667 889313654 /nfs/dbraw/zinc/31/36/54/889313654.db2.gz WOSIMTWIGVHJAN-LPEHRKFASA-N 1 3 257.334 -0.537 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CCN1 ZINC001340150070 889398354 /nfs/dbraw/zinc/39/83/54/889398354.db2.gz YUKPROMVOWGZPM-TZMCWYRMSA-N 1 3 269.389 -0.053 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340182710 889405578 /nfs/dbraw/zinc/40/55/78/889405578.db2.gz LCTAVSPMRJOGKC-YUMQZZPRSA-N 1 3 268.283 -0.714 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CCN1 ZINC001340280285 889416750 /nfs/dbraw/zinc/41/67/50/889416750.db2.gz FSFVMPJCCZPHCO-NQBHXWOUSA-N 1 3 255.362 -0.444 20 0 CBADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CNCc2ccccc21 ZINC001340670844 889461423 /nfs/dbraw/zinc/46/14/23/889461423.db2.gz LWXIPTJPWCGBHV-FRRDWIJNSA-N 1 3 261.325 -0.678 20 0 CBADHO C[NH2+]CCOCCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001340832028 889492908 /nfs/dbraw/zinc/49/29/08/889492908.db2.gz KOYBACVIHFJTHQ-SNVBAGLBSA-N 1 3 281.360 -0.358 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC001340891623 889506418 /nfs/dbraw/zinc/50/64/18/889506418.db2.gz BAGNPTIOYPLEKM-DNIRFERGSA-N 1 3 269.389 -0.198 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001340891625 889507841 /nfs/dbraw/zinc/50/78/41/889507841.db2.gz BAGNPTIOYPLEKM-UKJIMTQDSA-N 1 3 269.389 -0.198 20 0 CBADHO CC[C@@H](N)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340903836 889509687 /nfs/dbraw/zinc/50/96/87/889509687.db2.gz NPEXLWNPKREAIJ-GHMZBOCLSA-N 1 3 255.362 -0.001 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001340941383 889520404 /nfs/dbraw/zinc/52/04/04/889520404.db2.gz SRJZOBWRUGXNMS-WZRBSPASSA-N 1 3 252.362 -0.709 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001448722638 913356796 /nfs/dbraw/zinc/35/67/96/913356796.db2.gz STJDDIKMZXTNLO-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCC1 ZINC001448718315 913359399 /nfs/dbraw/zinc/35/93/99/913359399.db2.gz LIVYBPRNSWYHGI-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001341370486 889583650 /nfs/dbraw/zinc/58/36/50/889583650.db2.gz YSYOEIMEZCLJCL-VWYCJHECSA-N 1 3 253.346 -0.378 20 0 CBADHO CC1(C)CCN(CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341419712 889591821 /nfs/dbraw/zinc/59/18/21/889591821.db2.gz QXTMJSBZTNOFQU-FZMZJTMJSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341525123 889614844 /nfs/dbraw/zinc/61/48/44/889614844.db2.gz JANBOSIRNDSNBJ-PELKAZGASA-N 1 3 252.318 -0.878 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001341553927 889622927 /nfs/dbraw/zinc/62/29/27/889622927.db2.gz RILLCKIIXPYQTM-GMTAPVOTSA-N 1 3 252.362 -0.724 20 0 CBADHO COC1CCN(CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341619743 889635317 /nfs/dbraw/zinc/63/53/17/889635317.db2.gz OKUDFMVAMMPHCG-ZYHUDNBSSA-N 1 3 255.362 -0.192 20 0 CBADHO C[NH2+]CCN(C(=O)[C@H](N)CCC(=O)OC)C(C)C ZINC001341754064 889657330 /nfs/dbraw/zinc/65/73/30/889657330.db2.gz VPNQLNSYHTTYAU-SNVBAGLBSA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC001341747373 889658160 /nfs/dbraw/zinc/65/81/60/889658160.db2.gz GOHYXWMUZZGHHK-LPEHRKFASA-N 1 3 257.334 -0.524 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001341753648 889658565 /nfs/dbraw/zinc/65/85/65/889658565.db2.gz SMGWKKPTYQMENG-ZWNOBZJWSA-N 1 3 269.345 -0.521 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001341952619 889688996 /nfs/dbraw/zinc/68/89/96/889688996.db2.gz VPFAHPWJDFKOEB-QWRGUYRKSA-N 1 3 253.346 -0.438 20 0 CBADHO C[C@@H]1CN(C(=O)c2c(CN)cnn2C)C[C@H]1C[NH3+] ZINC001342758336 889823192 /nfs/dbraw/zinc/82/31/92/889823192.db2.gz YSNKKQYDVSQDIX-PSASIEDQSA-N 1 3 251.334 -0.454 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001343039473 889859914 /nfs/dbraw/zinc/85/99/14/889859914.db2.gz XVECZNUSBPYOQA-VHSXEESVSA-N 1 3 257.334 -0.617 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343191215 889877442 /nfs/dbraw/zinc/87/74/42/889877442.db2.gz LVSSMLLJIJJVTG-SCRDCRAPSA-N 1 3 267.373 -0.177 20 0 CBADHO CC[C@@H]1CN(C(=O)[C@H]2CNCCN2C)CC[C@H]1[NH3+] ZINC001343486545 889920143 /nfs/dbraw/zinc/92/01/43/889920143.db2.gz KXLSQLFKZCEOKH-IJLUTSLNSA-N 1 3 254.378 -0.524 20 0 CBADHO CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001343566104 889931170 /nfs/dbraw/zinc/93/11/70/889931170.db2.gz FBBGLGKRGRFCEY-NEPJUHHUSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC1CC[NH2+]CC1)C(=O)[C@@H]1CNCCN1C ZINC001343652946 889940957 /nfs/dbraw/zinc/94/09/57/889940957.db2.gz MQKVLTNBDDKPCB-LBPRGKRZSA-N 1 3 254.378 -0.652 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343764680 889963356 /nfs/dbraw/zinc/96/33/56/889963356.db2.gz KIBFPBNNZXLECS-CHWSQXEVSA-N 1 3 268.405 -0.214 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2COC3(CNC3)C2)C1 ZINC001344010928 889990254 /nfs/dbraw/zinc/99/02/54/889990254.db2.gz GZFUFZBJXJZETQ-HBNTYKKESA-N 1 3 253.346 -0.249 20 0 CBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001344374761 890018854 /nfs/dbraw/zinc/01/88/54/890018854.db2.gz QEGZSDPWGNVRBX-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO COC[C@@H](O)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001345098838 890100262 /nfs/dbraw/zinc/10/02/62/890100262.db2.gz WZKKXLLMRCMREI-ZDEQEGDKSA-N 1 3 258.362 -0.260 20 0 CBADHO CN1CCN(C[C@@H](O)C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001345607200 890144746 /nfs/dbraw/zinc/14/47/46/890144746.db2.gz VGVYOJQEVIJMIW-INIZCTEOSA-N 1 3 296.459 -0.189 20 0 CBADHO C[NH2+][C@@H]1CCN(C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001345944727 890186001 /nfs/dbraw/zinc/18/60/01/890186001.db2.gz VDEHKEYTXSFFJP-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@H](O)CSC)CC1 ZINC001346181969 890233135 /nfs/dbraw/zinc/23/31/35/890233135.db2.gz TUOIFWWLEFLTJK-LBPRGKRZSA-N 1 3 261.435 -0.063 20 0 CBADHO C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)CN1CCN(C)CC1 ZINC001346333136 890270304 /nfs/dbraw/zinc/27/03/04/890270304.db2.gz PGGIIHMNGUWGGE-KBPBESRZSA-N 1 3 299.463 -0.735 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001346538347 890318204 /nfs/dbraw/zinc/31/82/04/890318204.db2.gz PVBUGAGWENBQMU-GHMZBOCLSA-N 1 3 258.366 -0.792 20 0 CBADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448884994 913439061 /nfs/dbraw/zinc/43/90/61/913439061.db2.gz ORWXHUTWSJFTAO-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448884994 913439069 /nfs/dbraw/zinc/43/90/69/913439069.db2.gz ORWXHUTWSJFTAO-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001348593692 890658445 /nfs/dbraw/zinc/65/84/45/890658445.db2.gz QJTBTBPMSWRBIJ-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449025686 913483840 /nfs/dbraw/zinc/48/38/40/913483840.db2.gz VDHANNKDAAGATP-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001349274267 890786753 /nfs/dbraw/zinc/78/67/53/890786753.db2.gz WGLWHBYYNKRSCQ-MWLCHTKSSA-N 1 3 266.349 -0.505 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)N(C)C ZINC001349551003 890834830 /nfs/dbraw/zinc/83/48/30/890834830.db2.gz ZJOPFIIFBKCIDC-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO COCC[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001349816037 890897961 /nfs/dbraw/zinc/89/79/61/890897961.db2.gz MHKGKPXLYSYWQO-SNVBAGLBSA-N 1 3 269.349 -0.253 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001350058841 890931326 /nfs/dbraw/zinc/93/13/26/890931326.db2.gz VCDTUCSUVQORRR-GRYCIOLGSA-N 1 3 296.415 -0.171 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)c1[nH]nc2c1CNCC2 ZINC001350404886 890979524 /nfs/dbraw/zinc/97/95/24/890979524.db2.gz FZXXSFQAQUMQTJ-UHFFFAOYSA-N 1 3 261.329 -0.381 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001350405756 890980549 /nfs/dbraw/zinc/98/05/49/890980549.db2.gz UXDYXTAJPYGBKH-JTQLQIEISA-N 1 3 253.306 -0.760 20 0 CBADHO CO[C@@H](CN)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001353075864 891356807 /nfs/dbraw/zinc/35/68/07/891356807.db2.gz FFZUCQMCFJPFDI-FXQIFTODSA-N 1 3 269.267 -0.444 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001353271449 891391303 /nfs/dbraw/zinc/39/13/03/891391303.db2.gz ANCZJEHZQWUZQA-AWEZNQCLSA-N 1 3 281.404 -0.529 20 0 CBADHO [NH3+]CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001353423970 891424690 /nfs/dbraw/zinc/42/46/90/891424690.db2.gz FWZKTWYDVOPSMY-OLZOCXBDSA-N 1 3 284.404 -0.034 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)O)CC1 ZINC001353535652 891444528 /nfs/dbraw/zinc/44/45/28/891444528.db2.gz VMVKTZKEQYSLSV-GFCCVEGCSA-N 1 3 287.404 -0.298 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449317510 913569926 /nfs/dbraw/zinc/56/99/26/913569926.db2.gz ISHWFCYXLBVJMD-NSHDSACASA-N 1 3 286.420 -0.195 20 0 CBADHO COCCNCC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001354893293 891628931 /nfs/dbraw/zinc/62/89/31/891628931.db2.gz KOWWCSCQFONDRB-CQSZACIVSA-N 1 3 293.371 -0.781 20 0 CBADHO O=C(c1ccc2c(n1)CNCC2)N1CCNCC[NH2+]CC1 ZINC001355015784 891637001 /nfs/dbraw/zinc/63/70/01/891637001.db2.gz JEIUQXPZDMNVPW-UHFFFAOYSA-N 1 3 289.383 -0.638 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001356412510 891756710 /nfs/dbraw/zinc/75/67/10/891756710.db2.gz KFTAQUJJSDEANZ-WISYIIOYSA-N 1 3 255.362 -0.193 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001356412510 891756717 /nfs/dbraw/zinc/75/67/17/891756717.db2.gz KFTAQUJJSDEANZ-WISYIIOYSA-N 1 3 255.362 -0.193 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC001356607018 891783195 /nfs/dbraw/zinc/78/31/95/891783195.db2.gz BECSIIZCQHRHLR-SNVBAGLBSA-N 1 3 257.334 -0.617 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)C[C@H](O)C[NH3+])C[C@@H](C)O1 ZINC001357366148 891876294 /nfs/dbraw/zinc/87/62/94/891876294.db2.gz FFBYBGGFIIMTOU-UPJWGTAASA-N 1 3 287.404 -0.298 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC001357396542 891884429 /nfs/dbraw/zinc/88/44/29/891884429.db2.gz JSLOKSSFFZIITH-OFTGVCEQSA-N 1 3 267.373 -0.193 20 0 CBADHO C[NH2+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001357433892 891894628 /nfs/dbraw/zinc/89/46/28/891894628.db2.gz HUVPIDHTSIXCSE-OLZOCXBDSA-N 1 3 284.404 -0.164 20 0 CBADHO [NH3+]C[C@@H](O)CNC(=O)c1cccc2c1OCCNC2 ZINC001357865140 891940556 /nfs/dbraw/zinc/94/05/56/891940556.db2.gz NZHMKPGPHHIOMQ-SNVBAGLBSA-N 1 3 265.313 -0.782 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001357856194 891940745 /nfs/dbraw/zinc/94/07/45/891940745.db2.gz NFOHJNYUSKEJGI-NBBOBHDQSA-N 1 3 255.318 -0.783 20 0 CBADHO CN(CCOCC[NH3+])C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001357945849 891946008 /nfs/dbraw/zinc/94/60/08/891946008.db2.gz RQVUYYKGTQCUKM-JTQLQIEISA-N 1 3 281.360 -0.276 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001358001530 891958007 /nfs/dbraw/zinc/95/80/07/891958007.db2.gz QEYFFSLXWSDNBP-MXWKQRLJSA-N 1 3 269.345 -0.380 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001358024162 891958080 /nfs/dbraw/zinc/95/80/80/891958080.db2.gz QGLWBVRWLLXOLU-OLZOCXBDSA-N 1 3 263.341 -0.473 20 0 CBADHO COCCNCC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001358223014 891982123 /nfs/dbraw/zinc/98/21/23/891982123.db2.gz CTQUDAGAGOVJFW-LBPRGKRZSA-N 1 3 285.388 -0.421 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC001358252069 891986084 /nfs/dbraw/zinc/98/60/84/891986084.db2.gz UBZWPMVASCWXHS-RYUDHWBXSA-N 1 3 255.362 -0.048 20 0 CBADHO COCCNCC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001358393754 892001599 /nfs/dbraw/zinc/00/15/99/892001599.db2.gz KIWGMSMXMUBLQN-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO CN1CCN(C)CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001358445211 892007584 /nfs/dbraw/zinc/00/75/84/892007584.db2.gz XHICPSXMMULABY-CYBMUJFWSA-N 1 3 284.404 -0.929 20 0 CBADHO C[NH+](C)CCCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001450476436 913700077 /nfs/dbraw/zinc/70/00/77/913700077.db2.gz CYFGJULJGSVNCZ-UHFFFAOYSA-N 1 3 293.371 -0.379 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001365849336 895132331 /nfs/dbraw/zinc/13/23/31/895132331.db2.gz WDAPDYAVGCFWAD-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001366050063 895179692 /nfs/dbraw/zinc/17/96/92/895179692.db2.gz QXJYGEMBQGOJEP-LBPRGKRZSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001366089975 895188648 /nfs/dbraw/zinc/18/86/48/895188648.db2.gz BVBCKSRXKLGERM-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001366097346 895189149 /nfs/dbraw/zinc/18/91/49/895189149.db2.gz GVMMOZGLSAARPR-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001366103042 895191243 /nfs/dbraw/zinc/19/12/43/895191243.db2.gz PPPHRKVYRISSBO-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001366103042 895191248 /nfs/dbraw/zinc/19/12/48/895191248.db2.gz PPPHRKVYRISSBO-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366100434 895191329 /nfs/dbraw/zinc/19/13/29/895191329.db2.gz WPKALZWSCIMBJJ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366098322 895192040 /nfs/dbraw/zinc/19/20/40/895192040.db2.gz OGWXZBMCXYYVRW-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366130523 895203072 /nfs/dbraw/zinc/20/30/72/895203072.db2.gz DCHOLMIVMRJYEW-ZDEQEGDKSA-N 1 3 287.404 -0.429 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366182051 895216260 /nfs/dbraw/zinc/21/62/60/895216260.db2.gz ANQXNIXFOOAZQH-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(N)=O ZINC001366364353 895295536 /nfs/dbraw/zinc/29/55/36/895295536.db2.gz NXRWKRFNVGGVBS-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001366508748 895338708 /nfs/dbraw/zinc/33/87/08/895338708.db2.gz LHMQJEDSWZKXQC-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001366768218 895453352 /nfs/dbraw/zinc/45/33/52/895453352.db2.gz NNRYQILQRMZXLV-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366774835 895456165 /nfs/dbraw/zinc/45/61/65/895456165.db2.gz XRTAVNXRMGIRKC-OLZOCXBDSA-N 1 3 294.399 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366774838 895458084 /nfs/dbraw/zinc/45/80/84/895458084.db2.gz XRTAVNXRMGIRKC-QWHCGFSZSA-N 1 3 294.399 -0.735 20 0 CBADHO CNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832943 895467522 /nfs/dbraw/zinc/46/75/22/895467522.db2.gz HXJBNWHVAAANJY-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366893275 895481687 /nfs/dbraw/zinc/48/16/87/895481687.db2.gz GEJKIWLFCAFERZ-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366893275 895481692 /nfs/dbraw/zinc/48/16/92/895481692.db2.gz GEJKIWLFCAFERZ-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367032450 895537730 /nfs/dbraw/zinc/53/77/30/895537730.db2.gz KOUJDUOEHKVSMZ-ZIAGYGMSSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001367036609 895542848 /nfs/dbraw/zinc/54/28/48/895542848.db2.gz YNECIKNISBMMCX-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001367036609 895542859 /nfs/dbraw/zinc/54/28/59/895542859.db2.gz YNECIKNISBMMCX-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](CNC(=O)CC[N@H+](C)CC)N[C@@H]1CCNC1=O ZINC001367145553 895576085 /nfs/dbraw/zinc/57/60/85/895576085.db2.gz VCAGCCXKEQYYDS-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)CC[N@@H+](C)CC)N[C@@H]1CCNC1=O ZINC001367145553 895576096 /nfs/dbraw/zinc/57/60/96/895576096.db2.gz VCAGCCXKEQYYDS-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCNC1=O ZINC001367138726 895576143 /nfs/dbraw/zinc/57/61/43/895576143.db2.gz MHKXYPOTXLLQNS-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001367175400 895578964 /nfs/dbraw/zinc/57/89/64/895578964.db2.gz HUSFHIZYLOBVOB-WFASDCNBSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(N)=O)CCCC1)N(C)C ZINC001367165215 895579066 /nfs/dbraw/zinc/57/90/66/895579066.db2.gz YRTVSFJTFFOKSW-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001367194766 895581911 /nfs/dbraw/zinc/58/19/11/895581911.db2.gz HUSFHIZYLOBVOB-IUODEOHRSA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001367217608 895583320 /nfs/dbraw/zinc/58/33/20/895583320.db2.gz RVTXOCLYUXMLEG-RDBSUJKOSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC)N(C)C ZINC001367224341 895587040 /nfs/dbraw/zinc/58/70/40/895587040.db2.gz DZOZHPCRDTYKFO-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367222081 895587202 /nfs/dbraw/zinc/58/72/02/895587202.db2.gz UZOLHHTZCGOBAB-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367222081 895587217 /nfs/dbraw/zinc/58/72/17/895587217.db2.gz UZOLHHTZCGOBAB-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001367412659 895632618 /nfs/dbraw/zinc/63/26/18/895632618.db2.gz JXWQDQAZNKCHOU-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001367595067 895690430 /nfs/dbraw/zinc/69/04/30/895690430.db2.gz UBIAOFZEEQWJJJ-CHWSQXEVSA-N 1 3 297.403 -0.673 20 0 CBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001367600158 895695055 /nfs/dbraw/zinc/69/50/55/895695055.db2.gz IWEGOHYKALFBJJ-CYBMUJFWSA-N 1 3 295.387 -0.697 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367606794 895697943 /nfs/dbraw/zinc/69/79/43/895697943.db2.gz OOIVBSBXIJEOBO-VXGBXAGGSA-N 1 3 287.404 -0.692 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001367677654 895738537 /nfs/dbraw/zinc/73/85/37/895738537.db2.gz XAZFGOHKVBOAOJ-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367681864 895743515 /nfs/dbraw/zinc/74/35/15/895743515.db2.gz AZULSTDOUIMRQY-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367681864 895743528 /nfs/dbraw/zinc/74/35/28/895743528.db2.gz AZULSTDOUIMRQY-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367680976 895743588 /nfs/dbraw/zinc/74/35/88/895743588.db2.gz PWJXJSFYZWIRGU-VXGBXAGGSA-N 1 3 294.399 -0.402 20 0 CBADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001367696990 895756787 /nfs/dbraw/zinc/75/67/87/895756787.db2.gz UIGOEKWDJZYBAI-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001367714517 895759572 /nfs/dbraw/zinc/75/95/72/895759572.db2.gz JFQXHAZMVKGBMK-GHMZBOCLSA-N 1 3 272.393 -0.445 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367770529 895802845 /nfs/dbraw/zinc/80/28/45/895802845.db2.gz CVZANOHFJFVYDT-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367770529 895802859 /nfs/dbraw/zinc/80/28/59/895802859.db2.gz CVZANOHFJFVYDT-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926905 895853236 /nfs/dbraw/zinc/85/32/36/895853236.db2.gz WDAYDEKXSYTCRM-VXGBXAGGSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926905 895853241 /nfs/dbraw/zinc/85/32/41/895853241.db2.gz WDAYDEKXSYTCRM-VXGBXAGGSA-N 1 3 282.388 -0.832 20 0 CBADHO O=C(NC[C@@]1(O)CCN(CCO)C1)C12CCC[NH+]1CCC2 ZINC001368261402 895947766 /nfs/dbraw/zinc/94/77/66/895947766.db2.gz NUBAUQIVCGWTOU-AWEZNQCLSA-N 1 3 297.399 -0.840 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001368457982 896015437 /nfs/dbraw/zinc/01/54/37/896015437.db2.gz IYDPKYFWAREZCR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001368502684 896024079 /nfs/dbraw/zinc/02/40/79/896024079.db2.gz XYBCTLYTAVXSKJ-WYUUTHIRSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001368594876 896041606 /nfs/dbraw/zinc/04/16/06/896041606.db2.gz XJXBLMVFJSNEPA-LPWJVIDDSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C ZINC001368662018 896054324 /nfs/dbraw/zinc/05/43/24/896054324.db2.gz VUQWRPWEZQVXET-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C ZINC001368661058 896055048 /nfs/dbraw/zinc/05/50/48/896055048.db2.gz UJRWZODNXUYFBF-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368869923 896099895 /nfs/dbraw/zinc/09/98/95/896099895.db2.gz QLGGGEJQNPTAFA-QWRGUYRKSA-N 1 3 293.433 -0.535 20 0 CBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880513 896104360 /nfs/dbraw/zinc/10/43/60/896104360.db2.gz FGXPRKDSHDNGHN-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001369248315 896182650 /nfs/dbraw/zinc/18/26/50/896182650.db2.gz DMRZMRVOCBSGCH-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001369307561 896195541 /nfs/dbraw/zinc/19/55/41/896195541.db2.gz HTVYYJFRSQLLPU-QWHCGFSZSA-N 1 3 298.431 -0.006 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1)N(C)C ZINC001369444910 896270554 /nfs/dbraw/zinc/27/05/54/896270554.db2.gz SPGQOGQEJRHZPU-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369843932 896351022 /nfs/dbraw/zinc/35/10/22/896351022.db2.gz NIDGTAOFNNIFRV-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370018039 896394701 /nfs/dbraw/zinc/39/47/01/896394701.db2.gz OBRYIRUMTKWJTN-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)N(C)C ZINC001370264878 896414148 /nfs/dbraw/zinc/41/41/48/896414148.db2.gz LAJYCIWFHGCUPA-GHMZBOCLSA-N 1 3 270.377 -0.704 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001370548997 896440168 /nfs/dbraw/zinc/44/01/68/896440168.db2.gz RKFGEVLAOZVFJE-IJLUTSLNSA-N 1 3 282.388 -0.547 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001370712815 896487199 /nfs/dbraw/zinc/48/71/99/896487199.db2.gz PXINGJGIMHZRCT-GRYCIOLGSA-N 1 3 296.371 -0.495 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001370732622 896490563 /nfs/dbraw/zinc/49/05/63/896490563.db2.gz MNQVZXYUVSGPFA-PHIMTYICSA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001370927205 896519842 /nfs/dbraw/zinc/51/98/42/896519842.db2.gz HAWYNZMVIPFHQI-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001371411380 896604513 /nfs/dbraw/zinc/60/45/13/896604513.db2.gz UXRCJFUPCYXVNF-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001371411380 896604525 /nfs/dbraw/zinc/60/45/25/896604525.db2.gz UXRCJFUPCYXVNF-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001372006073 896705074 /nfs/dbraw/zinc/70/50/74/896705074.db2.gz KKBXOLNWHMFWPW-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001372938953 896907712 /nfs/dbraw/zinc/90/77/12/896907712.db2.gz IYKQPVHGBNAXKG-UPJWGTAASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001372938953 896907724 /nfs/dbraw/zinc/90/77/24/896907724.db2.gz IYKQPVHGBNAXKG-UPJWGTAASA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001372942199 896908486 /nfs/dbraw/zinc/90/84/86/896908486.db2.gz PZNZUTFAMOMVAH-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC)CC[N@H+]1C ZINC001372942199 896908497 /nfs/dbraw/zinc/90/84/97/896908497.db2.gz PZNZUTFAMOMVAH-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001372945009 896910012 /nfs/dbraw/zinc/91/00/12/896910012.db2.gz JNRCJRRGRMREKP-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001372945009 896910022 /nfs/dbraw/zinc/91/00/22/896910022.db2.gz JNRCJRRGRMREKP-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001372950312 896913830 /nfs/dbraw/zinc/91/38/30/896913830.db2.gz MAUJPKFBIKCNCE-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373608264 897068973 /nfs/dbraw/zinc/06/89/73/897068973.db2.gz HFRHDPQTKWMJLZ-QWHCGFSZSA-N 1 3 297.399 -0.720 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001373637876 897084409 /nfs/dbraw/zinc/08/44/09/897084409.db2.gz OBRYIRUMTKWJTN-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001373757939 897116827 /nfs/dbraw/zinc/11/68/27/897116827.db2.gz KQBYPKNRELEPCG-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896750 897134581 /nfs/dbraw/zinc/13/45/81/897134581.db2.gz JOCYMSYIBLYSEV-XHDPSFHLSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896750 897134592 /nfs/dbraw/zinc/13/45/92/897134592.db2.gz JOCYMSYIBLYSEV-XHDPSFHLSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279017 897203176 /nfs/dbraw/zinc/20/31/76/897203176.db2.gz WVYMVSZWBYIXMT-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)[NH+](C)C ZINC001374322639 897209644 /nfs/dbraw/zinc/20/96/44/897209644.db2.gz SCMDQQJDTLNGLR-JQWIXIFHSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001374323386 897209673 /nfs/dbraw/zinc/20/96/73/897209673.db2.gz BOSJHWCVBWLYCM-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312101 897210544 /nfs/dbraw/zinc/21/05/44/897210544.db2.gz KLNKRKVKEOWYBY-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374314057 897211929 /nfs/dbraw/zinc/21/19/29/897211929.db2.gz QMQMGFBOBZYFLZ-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)[C@H](CNC(=O)CC[NH+](C)C)NCc1cnnn1C ZINC001374430755 897226459 /nfs/dbraw/zinc/22/64/59/897226459.db2.gz DZIBDIQKTVNOQU-ZDUSSCGKSA-N 1 3 296.419 -0.003 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001374682639 897341552 /nfs/dbraw/zinc/34/15/52/897341552.db2.gz XVJQWPUWFPAOQQ-NWDGAFQWSA-N 1 3 296.371 -0.636 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001374759794 897381317 /nfs/dbraw/zinc/38/13/17/897381317.db2.gz HEIYDYYIBUOBLT-AWEZNQCLSA-N 1 3 298.431 -0.149 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001374777874 897384022 /nfs/dbraw/zinc/38/40/22/897384022.db2.gz XWAAEVPJCAMZKB-OUAUKWLOSA-N 1 3 272.393 -0.315 20 0 CBADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255280 897501486 /nfs/dbraw/zinc/50/14/86/897501486.db2.gz LSHOBHNAFVCXPQ-DGCLKSJQSA-N 1 3 298.431 -0.101 20 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/nfs/dbraw/zinc/60/69/57/897606957.db2.gz XPRSKYWHJNPCKI-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001375767724 897607549 /nfs/dbraw/zinc/60/75/49/897607549.db2.gz HVQXQXMRGDCNDO-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H](N[C@@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242048 897695691 /nfs/dbraw/zinc/69/56/91/897695691.db2.gz DXHYDDCQZQMGDZ-ONGXEEELSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001376257911 897698737 /nfs/dbraw/zinc/69/87/37/897698737.db2.gz QVDHQWDSXVCORF-NEPJUHHUSA-N 1 3 284.404 -0.443 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001376495164 897758853 /nfs/dbraw/zinc/75/88/53/897758853.db2.gz RKFGEVLAOZVFJE-TUAOUCFPSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376609655 897782999 /nfs/dbraw/zinc/78/29/99/897782999.db2.gz LRUNNKWCQXGZLI-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376609655 897783005 /nfs/dbraw/zinc/78/30/05/897783005.db2.gz LRUNNKWCQXGZLI-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376609658 897783508 /nfs/dbraw/zinc/78/35/08/897783508.db2.gz LRUNNKWCQXGZLI-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376609658 897783515 /nfs/dbraw/zinc/78/35/15/897783515.db2.gz LRUNNKWCQXGZLI-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCN(C)C1=O ZINC001376792824 897845955 /nfs/dbraw/zinc/84/59/55/897845955.db2.gz OITWWNDBFUDKRB-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001376788614 897847117 /nfs/dbraw/zinc/84/71/17/897847117.db2.gz CTIXSHFHPZSDGZ-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001376788614 897847127 /nfs/dbraw/zinc/84/71/27/897847127.db2.gz CTIXSHFHPZSDGZ-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001376811553 897853111 /nfs/dbraw/zinc/85/31/11/897853111.db2.gz VNFNLRBAOOOCGX-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001376811553 897853118 /nfs/dbraw/zinc/85/31/18/897853118.db2.gz VNFNLRBAOOOCGX-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803982 897853274 /nfs/dbraw/zinc/85/32/74/897853274.db2.gz SYJKVWLMCYTLTO-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001376816141 897856753 /nfs/dbraw/zinc/85/67/53/897856753.db2.gz ZLYSERDLEBVKRU-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001376851619 897868112 /nfs/dbraw/zinc/86/81/12/897868112.db2.gz DRBREARTLIRACS-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001376851619 897868120 /nfs/dbraw/zinc/86/81/20/897868120.db2.gz DRBREARTLIRACS-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376882179 897878616 /nfs/dbraw/zinc/87/86/16/897878616.db2.gz NOCJYDKIOHDYDD-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376882179 897878627 /nfs/dbraw/zinc/87/86/27/897878627.db2.gz NOCJYDKIOHDYDD-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001376903229 897887178 /nfs/dbraw/zinc/88/71/78/897887178.db2.gz XMSAVXPEGUIDQQ-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376933615 897894768 /nfs/dbraw/zinc/89/47/68/897894768.db2.gz WBPRMHRCQIOZKO-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376960604 897900635 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CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001377574572 898090471 /nfs/dbraw/zinc/09/04/71/898090471.db2.gz CKACOYLQLBDBDH-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001377577062 898094281 /nfs/dbraw/zinc/09/42/81/898094281.db2.gz CXATWVQZGGXYNU-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001377577062 898094293 /nfs/dbraw/zinc/09/42/93/898094293.db2.gz CXATWVQZGGXYNU-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O ZINC001377587540 898099861 /nfs/dbraw/zinc/09/98/61/898099861.db2.gz DINPGBSWZWSPLG-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597079 898101216 /nfs/dbraw/zinc/10/12/16/898101216.db2.gz JGBYHVFAXOYJSW-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597079 898101220 /nfs/dbraw/zinc/10/12/20/898101220.db2.gz JGBYHVFAXOYJSW-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001377595854 898102222 /nfs/dbraw/zinc/10/22/22/898102222.db2.gz SZRPVRKQZPYUCO-GFCCVEGCSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001378512303 898340175 /nfs/dbraw/zinc/34/01/75/898340175.db2.gz MMKBOWOFMIGPPW-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001378513825 898342337 /nfs/dbraw/zinc/34/23/37/898342337.db2.gz RVTXOCLYUXMLEG-MGPQQGTHSA-N 1 3 299.415 -0.332 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001378569909 898355705 /nfs/dbraw/zinc/35/57/05/898355705.db2.gz UWLRLFBGOHVDSI-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001378583807 898359673 /nfs/dbraw/zinc/35/96/73/898359673.db2.gz VTIVWYIVBUOSRC-NWDGAFQWSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCCCN1C ZINC001378780246 898408537 /nfs/dbraw/zinc/40/85/37/898408537.db2.gz AMSQXCRUEWRKCG-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001378805636 898412484 /nfs/dbraw/zinc/41/24/84/898412484.db2.gz CNVIYTXOWSHCTH-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001378821192 898415940 /nfs/dbraw/zinc/41/59/40/898415940.db2.gz ZPRWPAHDHMWPTG-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001378852246 898423445 /nfs/dbraw/zinc/42/34/45/898423445.db2.gz LBSQMDRLMIBJQJ-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001378839637 898424032 /nfs/dbraw/zinc/42/40/32/898424032.db2.gz HNZJVTQMIWHCKZ-GMTAPVOTSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001378889026 898428010 /nfs/dbraw/zinc/42/80/10/898428010.db2.gz AVMIUABDMXDEKW-JOCQHMNTSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCC(N)=O)C1CC1 ZINC001379027469 898448640 /nfs/dbraw/zinc/44/86/40/898448640.db2.gz SLTSJBUEGZDZDW-NSHDSACASA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C ZINC001379279116 898536013 /nfs/dbraw/zinc/53/60/13/898536013.db2.gz SJLSABGKAJXPGE-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001379290166 898539407 /nfs/dbraw/zinc/53/94/07/898539407.db2.gz QYPWVNGQZPBEIM-JSGCOSHPSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001379290166 898539421 /nfs/dbraw/zinc/53/94/21/898539421.db2.gz QYPWVNGQZPBEIM-JSGCOSHPSA-N 1 3 292.383 -0.400 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001379412316 898606048 /nfs/dbraw/zinc/60/60/48/898606048.db2.gz CWYWLLAZSHJPDV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379518829 898654572 /nfs/dbraw/zinc/65/45/72/898654572.db2.gz JTSWRCHHAKXHSI-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001379518829 898654575 /nfs/dbraw/zinc/65/45/75/898654575.db2.gz JTSWRCHHAKXHSI-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)[C@@H]1C ZINC001379565494 898668346 /nfs/dbraw/zinc/66/83/46/898668346.db2.gz GEESQMIWQZQEEB-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)[C@@H]1C ZINC001379565494 898668355 /nfs/dbraw/zinc/66/83/55/898668355.db2.gz GEESQMIWQZQEEB-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001379561708 898670226 /nfs/dbraw/zinc/67/02/26/898670226.db2.gz ZXQZYIRPTRUQQY-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001379592245 898677855 /nfs/dbraw/zinc/67/78/55/898677855.db2.gz BNXUXUYUKONTBE-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379598292 898678677 /nfs/dbraw/zinc/67/86/77/898678677.db2.gz KRHKYXIQTWHYAD-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379598292 898678684 /nfs/dbraw/zinc/67/86/84/898678684.db2.gz KRHKYXIQTWHYAD-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)CC[NH+](C)C ZINC001379838232 898742331 /nfs/dbraw/zinc/74/23/31/898742331.db2.gz MARAJGDHVAEUEE-ZDUSSCGKSA-N 1 3 297.403 -0.719 20 0 CBADHO CC(C)(C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)N1CCCC1 ZINC001379894188 898754520 /nfs/dbraw/zinc/75/45/20/898754520.db2.gz HPSKDRZHUUNPQP-GFCCVEGCSA-N 1 3 296.415 -0.170 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380557643 898896798 /nfs/dbraw/zinc/89/67/98/898896798.db2.gz VLHVOVKBFUSCHV-OAHLLOKOSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001380566557 898903693 /nfs/dbraw/zinc/90/36/93/898903693.db2.gz QLJFDXGFUYTPFY-JSGCOSHPSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001380566557 898903701 /nfs/dbraw/zinc/90/37/01/898903701.db2.gz QLJFDXGFUYTPFY-JSGCOSHPSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001380566564 898904377 /nfs/dbraw/zinc/90/43/77/898904377.db2.gz QLJFDXGFUYTPFY-TZMCWYRMSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001380566564 898904384 /nfs/dbraw/zinc/90/43/84/898904384.db2.gz QLJFDXGFUYTPFY-TZMCWYRMSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001381624920 899097976 /nfs/dbraw/zinc/09/79/76/899097976.db2.gz YSXFVAKJBDJLJI-QWHCGFSZSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001381624920 899097992 /nfs/dbraw/zinc/09/79/92/899097992.db2.gz YSXFVAKJBDJLJI-QWHCGFSZSA-N 1 3 294.403 -0.334 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001381913445 899128518 /nfs/dbraw/zinc/12/85/18/899128518.db2.gz DDEQLOXCYCCCHB-XYJRDEOASA-N 1 3 292.383 -0.065 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001381913445 899128525 /nfs/dbraw/zinc/12/85/25/899128525.db2.gz DDEQLOXCYCCCHB-XYJRDEOASA-N 1 3 292.383 -0.065 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001382163053 899166588 /nfs/dbraw/zinc/16/65/88/899166588.db2.gz VSIUZESNFQTXFV-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001382163989 899166841 /nfs/dbraw/zinc/16/68/41/899166841.db2.gz RMOCUXZSJUBJAX-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001382284130 899232953 /nfs/dbraw/zinc/23/29/53/899232953.db2.gz ITNRLKKMJSFJBG-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320366 899247082 /nfs/dbraw/zinc/24/70/82/899247082.db2.gz UUVJUXFTNLKZAO-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CCCC1 ZINC001383099044 899388723 /nfs/dbraw/zinc/38/87/23/899388723.db2.gz RPHXHDGELCNOII-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CCCC1 ZINC001383099046 899389909 /nfs/dbraw/zinc/38/99/09/899389909.db2.gz RPHXHDGELCNOII-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385347762 899565357 /nfs/dbraw/zinc/56/53/57/899565357.db2.gz UBMZBZHABIYSFD-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001386888258 899726825 /nfs/dbraw/zinc/72/68/25/899726825.db2.gz HLTGMEWYCRZTPO-ZDUSSCGKSA-N 1 3 296.415 -0.392 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001386888258 899726835 /nfs/dbraw/zinc/72/68/35/899726835.db2.gz HLTGMEWYCRZTPO-ZDUSSCGKSA-N 1 3 296.415 -0.392 20 0 CBADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001387034284 899748865 /nfs/dbraw/zinc/74/88/65/899748865.db2.gz ZCVBAVKZSOGOJW-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001387034284 899748874 /nfs/dbraw/zinc/74/88/74/899748874.db2.gz ZCVBAVKZSOGOJW-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001388719419 899905412 /nfs/dbraw/zinc/90/54/12/899905412.db2.gz HCEPDVSDOBZNAZ-XYPYZODXSA-N 1 3 282.388 -0.560 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001389198959 899968480 /nfs/dbraw/zinc/96/84/80/899968480.db2.gz ZXYLXGPDIZJFSL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389198959 899968486 /nfs/dbraw/zinc/96/84/86/899968486.db2.gz ZXYLXGPDIZJFSL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389773996 900068293 /nfs/dbraw/zinc/06/82/93/900068293.db2.gz NOONMRGJOBOFRY-AGIUHOORSA-N 1 3 298.431 -0.102 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001389801345 900074281 /nfs/dbraw/zinc/07/42/81/900074281.db2.gz ZIPYDIWEGKABEP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001389806908 900076876 /nfs/dbraw/zinc/07/68/76/900076876.db2.gz ZOECJNRNVMDXOL-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001389806908 900076887 /nfs/dbraw/zinc/07/68/87/900076887.db2.gz ZOECJNRNVMDXOL-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389905936 900090919 /nfs/dbraw/zinc/09/09/19/900090919.db2.gz LCORCVYAQLILSO-SRVKXCTJSA-N 1 3 282.388 -0.548 20 0 CBADHO CCN(CC)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001389938800 900095207 /nfs/dbraw/zinc/09/52/07/900095207.db2.gz SMMZSKWJTFDXMR-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001390012552 900104085 /nfs/dbraw/zinc/10/40/85/900104085.db2.gz RWUIBJNHMZDLQA-ZNSHCXBVSA-N 1 3 270.377 -0.563 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001390466057 900167272 /nfs/dbraw/zinc/16/72/72/900167272.db2.gz HMYFRHQNJGRLMQ-CHWSQXEVSA-N 1 3 296.419 -0.041 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001390501919 900176148 /nfs/dbraw/zinc/17/61/48/900176148.db2.gz BLVWIUVSWZKLSJ-NSHDSACASA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001390506794 900176516 /nfs/dbraw/zinc/17/65/16/900176516.db2.gz HZTSHQJWPDBPHE-TZMCWYRMSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390517537 900179381 /nfs/dbraw/zinc/17/93/81/900179381.db2.gz YXLBWFRQAZVAOK-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390517537 900179389 /nfs/dbraw/zinc/17/93/89/900179389.db2.gz YXLBWFRQAZVAOK-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390535299 900184767 /nfs/dbraw/zinc/18/47/67/900184767.db2.gz DGKKPPNMPQYYPX-RYUDHWBXSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cnnn1C ZINC001390647558 900202587 /nfs/dbraw/zinc/20/25/87/900202587.db2.gz QDIKXOFROYSHCV-WCQYABFASA-N 1 3 294.403 -0.106 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226464 900342100 /nfs/dbraw/zinc/34/21/00/900342100.db2.gz IOTRFVHKRQKVKA-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226464 900342108 /nfs/dbraw/zinc/34/21/08/900342108.db2.gz IOTRFVHKRQKVKA-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391222916 900343738 /nfs/dbraw/zinc/34/37/38/900343738.db2.gz VGEQDDLSFYOORY-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391222916 900343750 /nfs/dbraw/zinc/34/37/50/900343750.db2.gz VGEQDDLSFYOORY-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001391220101 900344714 /nfs/dbraw/zinc/34/47/14/900344714.db2.gz OUOVBGDUSPZRKQ-NSHDSACASA-N 1 3 270.377 -0.783 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001391334838 900354721 /nfs/dbraw/zinc/35/47/21/900354721.db2.gz LZSJFYFHVFJFAZ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001391334838 900354733 /nfs/dbraw/zinc/35/47/33/900354733.db2.gz LZSJFYFHVFJFAZ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC(N)=O ZINC001391744222 900445302 /nfs/dbraw/zinc/44/53/02/900445302.db2.gz RFYNQBOQNQLOLE-CMPLNLGQSA-N 1 3 272.393 -0.458 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392118551 900516052 /nfs/dbraw/zinc/51/60/52/900516052.db2.gz CRRJLDXSRQDXBP-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001392183594 900530857 /nfs/dbraw/zinc/53/08/57/900530857.db2.gz RGESINHTOSPUCC-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001392233796 900535813 /nfs/dbraw/zinc/53/58/13/900535813.db2.gz OHGMRYPDWCTMHK-NSHDSACASA-N 1 3 284.404 -0.314 20 0 CBADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348345 900573430 /nfs/dbraw/zinc/57/34/30/900573430.db2.gz YBCNSXRVXHTVRX-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001392592192 900670779 /nfs/dbraw/zinc/67/07/79/900670779.db2.gz JIUUEXBCNREVTM-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001392480553 900634743 /nfs/dbraw/zinc/63/47/43/900634743.db2.gz OSXWTMFSQHWNDS-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001392480553 900634749 /nfs/dbraw/zinc/63/47/49/900634749.db2.gz OSXWTMFSQHWNDS-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392507783 900642021 /nfs/dbraw/zinc/64/20/21/900642021.db2.gz ZXPSPXRNLLYGGT-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392507783 900642028 /nfs/dbraw/zinc/64/20/28/900642028.db2.gz ZXPSPXRNLLYGGT-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001392536171 900651594 /nfs/dbraw/zinc/65/15/94/900651594.db2.gz LQBXYFNXAQBGES-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001392577153 900666591 /nfs/dbraw/zinc/66/65/91/900666591.db2.gz QZHNEKOBLQBRJC-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392610188 900679137 /nfs/dbraw/zinc/67/91/37/900679137.db2.gz JJGMZPZAEUJPOY-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001392791119 900727608 /nfs/dbraw/zinc/72/76/08/900727608.db2.gz DKNBVYBPNCMZID-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806519 900728750 /nfs/dbraw/zinc/72/87/50/900728750.db2.gz XUFNZLIHKSTZEK-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806519 900728764 /nfs/dbraw/zinc/72/87/64/900728764.db2.gz XUFNZLIHKSTZEK-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001393045009 900782960 /nfs/dbraw/zinc/78/29/60/900782960.db2.gz GKHKEWUHVPZINR-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001393053233 900786961 /nfs/dbraw/zinc/78/69/61/900786961.db2.gz LNECXPOSRHJAEF-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001393056554 900787753 /nfs/dbraw/zinc/78/77/53/900787753.db2.gz SQTXVEQDRDKQDM-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+](C)C ZINC001393058899 900788149 /nfs/dbraw/zinc/78/81/49/900788149.db2.gz QWTGGSWWSYCLSG-WCQYABFASA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001393393560 900851862 /nfs/dbraw/zinc/85/18/62/900851862.db2.gz HJHZWNVPWSAUQN-OLZOCXBDSA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001393770153 900903556 /nfs/dbraw/zinc/90/35/56/900903556.db2.gz DNEDBMATIFVPKH-NSHDSACASA-N 1 3 296.371 -0.724 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438382 901026450 /nfs/dbraw/zinc/02/64/50/901026450.db2.gz DXEFGRWFAFTLCO-DGCLKSJQSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001394453557 901027178 /nfs/dbraw/zinc/02/71/78/901027178.db2.gz QIDBTXQDOOSQIQ-VXGBXAGGSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001394453557 901027187 /nfs/dbraw/zinc/02/71/87/901027187.db2.gz QIDBTXQDOOSQIQ-VXGBXAGGSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N(C)C ZINC001394561740 901051568 /nfs/dbraw/zinc/05/15/68/901051568.db2.gz YBEXJSKGQVPDSP-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001394662402 901112554 /nfs/dbraw/zinc/11/25/54/901112554.db2.gz MKQVZGYMLAQQEX-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCCC1 ZINC001394667297 901114605 /nfs/dbraw/zinc/11/46/05/901114605.db2.gz IJYAOPUIXCLPMF-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001394667391 901115522 /nfs/dbraw/zinc/11/55/22/901115522.db2.gz IWTSBNLKEDZAPF-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001394667388 901116433 /nfs/dbraw/zinc/11/64/33/901116433.db2.gz IWTSBNLKEDZAPF-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394832003 901161360 /nfs/dbraw/zinc/16/13/60/901161360.db2.gz LPJSYRJJVYZVIB-QWRGUYRKSA-N 1 3 286.420 -0.068 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001394861277 901165505 /nfs/dbraw/zinc/16/55/05/901165505.db2.gz PCGVYFWBXWXIEV-UHFFFAOYSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001397120484 901364570 /nfs/dbraw/zinc/36/45/70/901364570.db2.gz GUDVRXXSSAXYPF-GVXVVHGQSA-N 1 3 284.404 -0.458 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611209 901438889 /nfs/dbraw/zinc/43/88/89/901438889.db2.gz HGDHAVFDEIGIOA-MPZDIEGVSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1 ZINC001398437360 901538511 /nfs/dbraw/zinc/53/85/11/901538511.db2.gz YKTZKAUDBLJKJG-GFCCVEGCSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001398535155 901549543 /nfs/dbraw/zinc/54/95/43/901549543.db2.gz XXZLJPJVGMRWFY-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001398535155 901549549 /nfs/dbraw/zinc/54/95/49/901549549.db2.gz XXZLJPJVGMRWFY-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001398553941 901558164 /nfs/dbraw/zinc/55/81/64/901558164.db2.gz LIFGBAARVDOOHS-SRVKXCTJSA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001398678860 901587861 /nfs/dbraw/zinc/58/78/61/901587861.db2.gz HEIYDYYIBUOBLT-CQSZACIVSA-N 1 3 298.431 -0.149 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001398765048 901602674 /nfs/dbraw/zinc/60/26/74/901602674.db2.gz QZXXWGSQVCJJIQ-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](C(=O)NC1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC001398839680 901609652 /nfs/dbraw/zinc/60/96/52/901609652.db2.gz QAPJXYQDFPFROE-HTAVTVPLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCNC1=O ZINC001399022585 901652844 /nfs/dbraw/zinc/65/28/44/901652844.db2.gz FRJBCWDRJMXPBW-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399098381 901664479 /nfs/dbraw/zinc/66/44/79/901664479.db2.gz LMAVJRRSWUPUNN-DGCLKSJQSA-N 1 3 286.420 -0.197 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001399239468 901685850 /nfs/dbraw/zinc/68/58/50/901685850.db2.gz GSHRPLUPUCDFEB-LLVKDONJSA-N 1 3 293.371 -0.522 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001400054872 901865671 /nfs/dbraw/zinc/86/56/71/901865671.db2.gz MQBNKGNCQHGIHH-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001400054872 901865680 /nfs/dbraw/zinc/86/56/80/901865680.db2.gz MQBNKGNCQHGIHH-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001400084584 901875428 /nfs/dbraw/zinc/87/54/28/901875428.db2.gz VDTOGNMSWHOKSG-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001400084584 901875432 /nfs/dbraw/zinc/87/54/32/901875432.db2.gz VDTOGNMSWHOKSG-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400896167 902031565 /nfs/dbraw/zinc/03/15/65/902031565.db2.gz CBUXTFGLZIRHRE-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001401106552 902056230 /nfs/dbraw/zinc/05/62/30/902056230.db2.gz JFVRBZPIZSQXBS-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001401117836 902058145 /nfs/dbraw/zinc/05/81/45/902058145.db2.gz WZTWQVLBPFSMLN-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001401117827 902058234 /nfs/dbraw/zinc/05/82/34/902058234.db2.gz WZTWQVLBPFSMLN-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001401236931 902087056 /nfs/dbraw/zinc/08/70/56/902087056.db2.gz HMCPLKHJRKVHRW-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001401221343 902088339 /nfs/dbraw/zinc/08/83/39/902088339.db2.gz OVXPNKKHUFRPLM-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001401220578 902088525 /nfs/dbraw/zinc/08/85/25/902088525.db2.gz NBCCSNTWXRQFQW-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001401251634 902091025 /nfs/dbraw/zinc/09/10/25/902091025.db2.gz ATPVCQYHCSJFBN-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001401557997 902166068 /nfs/dbraw/zinc/16/60/68/902166068.db2.gz PARFKGDWCFCMPD-CYBMUJFWSA-N 1 3 294.399 -0.092 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CN(C)C1CCC1 ZINC001401611946 902189992 /nfs/dbraw/zinc/18/99/92/902189992.db2.gz UKVIBKHASWMSKE-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC ZINC001401626012 902199442 /nfs/dbraw/zinc/19/94/42/902199442.db2.gz DTHDQNMGRBZSII-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC ZINC001401626012 902199445 /nfs/dbraw/zinc/19/94/45/902199445.db2.gz DTHDQNMGRBZSII-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001401687969 902232473 /nfs/dbraw/zinc/23/24/73/902232473.db2.gz MPCCKIKIPWPVCK-SRVKXCTJSA-N 1 3 286.420 -0.069 20 0 CBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401702430 902238988 /nfs/dbraw/zinc/23/89/88/902238988.db2.gz PMQDVYSNXIZQLG-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001401976252 902331393 /nfs/dbraw/zinc/33/13/93/902331393.db2.gz IGHSHBBOMPFFIO-NSHDSACASA-N 1 3 294.399 -0.416 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001402062500 902346155 /nfs/dbraw/zinc/34/61/55/902346155.db2.gz UEEQZLAOKHVABO-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001402062500 902346168 /nfs/dbraw/zinc/34/61/68/902346168.db2.gz UEEQZLAOKHVABO-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060356 902347521 /nfs/dbraw/zinc/34/75/21/902347521.db2.gz PTGZHVVTHRYWGV-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402078525 902349199 /nfs/dbraw/zinc/34/91/99/902349199.db2.gz MWWPBRMMQAPNOO-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NC[C@]1(O)CCN(CCO)C1 ZINC001402299854 902415216 /nfs/dbraw/zinc/41/52/16/902415216.db2.gz AEJZXFIOEMFIGF-OAHLLOKOSA-N 1 3 299.415 -0.592 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402460148 902455322 /nfs/dbraw/zinc/45/53/22/902455322.db2.gz IGCPXLAHFGZQJI-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001402513711 902469482 /nfs/dbraw/zinc/46/94/82/902469482.db2.gz NQJURVKHCZESIU-ZDEQEGDKSA-N 1 3 296.415 -0.206 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001402635145 902495202 /nfs/dbraw/zinc/49/52/02/902495202.db2.gz UCXUJWTZTUTZPV-KXNHARMFSA-N 1 3 284.404 -0.173 20 0 CBADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)N(C)C ZINC001402760213 902515983 /nfs/dbraw/zinc/51/59/83/902515983.db2.gz WIELKAQKSQBCSC-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402888782 902551709 /nfs/dbraw/zinc/55/17/09/902551709.db2.gz OUQPJZISVWWMGK-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN(CC(N)=O)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402882290 902551691 /nfs/dbraw/zinc/55/16/91/902551691.db2.gz GJYZIPFWTBTZKF-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402888782 902551715 /nfs/dbraw/zinc/55/17/15/902551715.db2.gz OUQPJZISVWWMGK-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402908707 902559632 /nfs/dbraw/zinc/55/96/32/902559632.db2.gz QAFWVZOAQHTZTR-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001402908707 902559647 /nfs/dbraw/zinc/55/96/47/902559647.db2.gz QAFWVZOAQHTZTR-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403047633 902597378 /nfs/dbraw/zinc/59/73/78/902597378.db2.gz JYFMBHYITKWDNW-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC1 ZINC001403037775 902599187 /nfs/dbraw/zinc/59/91/87/902599187.db2.gz FGMBIWQCCRCAFX-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001403213909 902651490 /nfs/dbraw/zinc/65/14/90/902651490.db2.gz UOXNAHUVDNBCGR-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001403263440 902658745 /nfs/dbraw/zinc/65/87/45/902658745.db2.gz QKNMJJOEFMUZAS-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001403263438 902659965 /nfs/dbraw/zinc/65/99/65/902659965.db2.gz QKNMJJOEFMUZAS-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001403413756 902683219 /nfs/dbraw/zinc/68/32/19/902683219.db2.gz JHAQDBNXJHWMTD-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001403453672 902692102 /nfs/dbraw/zinc/69/21/02/902692102.db2.gz BHFGYYTWENXFDU-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001403543673 902724135 /nfs/dbraw/zinc/72/41/35/902724135.db2.gz YUFFWPCWEDWEPB-VXGBXAGGSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCCC1 ZINC001403580358 902739132 /nfs/dbraw/zinc/73/91/32/902739132.db2.gz FKRRDRQLKARDIE-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001403583275 902740030 /nfs/dbraw/zinc/74/00/30/902740030.db2.gz JTJJKLQFALYHHN-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001403598475 902746327 /nfs/dbraw/zinc/74/63/27/902746327.db2.gz ZGBZQNJAEBIIQE-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001403601989 902746358 /nfs/dbraw/zinc/74/63/58/902746358.db2.gz ONXUTTDBZOTGCX-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001403749799 902835557 /nfs/dbraw/zinc/83/55/57/902835557.db2.gz RJAIRLGSIFWOGF-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750482 902836293 /nfs/dbraw/zinc/83/62/93/902836293.db2.gz RQGSBCZFEFWKTQ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001403751952 902836734 /nfs/dbraw/zinc/83/67/34/902836734.db2.gz NNBQQKMOHHFAIR-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001403749801 902839097 /nfs/dbraw/zinc/83/90/97/902839097.db2.gz RJAIRLGSIFWOGF-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CCCN2CCO)CC1 ZINC001404001567 902920481 /nfs/dbraw/zinc/92/04/81/902920481.db2.gz FUMQLEMGZFPUNI-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001404012233 902923998 /nfs/dbraw/zinc/92/39/98/902923998.db2.gz BPXMXNAXYJNBOS-PNESKVBLSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)C(C)C)C(N)=O ZINC001404338679 902979078 /nfs/dbraw/zinc/97/90/78/902979078.db2.gz ZVARSZHCITYXKT-LLVKDONJSA-N 1 3 272.393 -0.362 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404432222 902985152 /nfs/dbraw/zinc/98/51/52/902985152.db2.gz DJXBTKDOOYEFPG-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001458793511 914677735 /nfs/dbraw/zinc/67/77/35/914677735.db2.gz DZXQXKRGXKNJMB-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357021 903154163 /nfs/dbraw/zinc/15/41/63/903154163.db2.gz ZKBOQTYZLZFPDN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357021 903154171 /nfs/dbraw/zinc/15/41/71/903154171.db2.gz ZKBOQTYZLZFPDN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001406216070 903304515 /nfs/dbraw/zinc/30/45/15/903304515.db2.gz ZOMOBAITNDTHPC-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001406255152 903325552 /nfs/dbraw/zinc/32/55/52/903325552.db2.gz FZNAZIGCBQYDPV-ZDUSSCGKSA-N 1 3 280.372 -0.400 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406321405 903354364 /nfs/dbraw/zinc/35/43/64/903354364.db2.gz DXGYYYPRFBCQLQ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406321405 903354376 /nfs/dbraw/zinc/35/43/76/903354376.db2.gz DXGYYYPRFBCQLQ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406358323 903374116 /nfs/dbraw/zinc/37/41/16/903374116.db2.gz GIPRLYJTTNWEOA-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406358323 903374128 /nfs/dbraw/zinc/37/41/28/903374128.db2.gz GIPRLYJTTNWEOA-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001406373009 903380189 /nfs/dbraw/zinc/38/01/89/903380189.db2.gz GXUYOWHHPOCKOC-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001406373009 903380204 /nfs/dbraw/zinc/38/02/04/903380204.db2.gz GXUYOWHHPOCKOC-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001406405066 903390122 /nfs/dbraw/zinc/39/01/22/903390122.db2.gz LAHLMNKXICCVCS-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001406424142 903400411 /nfs/dbraw/zinc/40/04/11/903400411.db2.gz UYSJIYSIXXUYKU-PWSUYJOCSA-N 1 3 272.393 -0.587 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001406481947 903414025 /nfs/dbraw/zinc/41/40/25/903414025.db2.gz NGYAMTDDOYZFBU-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001406812755 903483280 /nfs/dbraw/zinc/48/32/80/903483280.db2.gz DAAAXWPPLKSEHB-YPMHNXCESA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347246 903576317 /nfs/dbraw/zinc/57/63/17/903576317.db2.gz MJTSHZVWWCUTQU-WFASDCNBSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347246 903576329 /nfs/dbraw/zinc/57/63/29/903576329.db2.gz MJTSHZVWWCUTQU-WFASDCNBSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407535106 903624463 /nfs/dbraw/zinc/62/44/63/903624463.db2.gz JSURKWIBKBAJOK-UWVGGRQHSA-N 1 3 279.344 -0.736 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1 ZINC001407766231 903654991 /nfs/dbraw/zinc/65/49/91/903654991.db2.gz RIVSDDKNCKYJEB-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1 ZINC001407764133 903655341 /nfs/dbraw/zinc/65/53/41/903655341.db2.gz KFHZCZSIHBUGLK-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)CNC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001407802419 903663007 /nfs/dbraw/zinc/66/30/07/903663007.db2.gz RJSNGLZYHMAHFN-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001408303490 903749588 /nfs/dbraw/zinc/74/95/88/903749588.db2.gz RVGLLLPVGOGVES-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336246 903751550 /nfs/dbraw/zinc/75/15/50/903751550.db2.gz SCNOSDLXTOZBJT-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001410233702 904050325 /nfs/dbraw/zinc/05/03/25/904050325.db2.gz YBCFVFRUDQDXTN-AVGNSLFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(N)=O ZINC001410412337 904092747 /nfs/dbraw/zinc/09/27/47/904092747.db2.gz FWSHLVAEAJZIBE-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001410477709 904104520 /nfs/dbraw/zinc/10/45/20/904104520.db2.gz BLIUYLUCDCUFHP-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001410477709 904104526 /nfs/dbraw/zinc/10/45/26/904104526.db2.gz BLIUYLUCDCUFHP-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001410477696 904105045 /nfs/dbraw/zinc/10/50/45/904105045.db2.gz BLIUYLUCDCUFHP-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001410477696 904105052 /nfs/dbraw/zinc/10/50/52/904105052.db2.gz BLIUYLUCDCUFHP-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001410655800 904154053 /nfs/dbraw/zinc/15/40/53/904154053.db2.gz ZEXYOPVYHNBGKP-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001411042741 904228189 /nfs/dbraw/zinc/22/81/89/904228189.db2.gz LXWUMPZKAAEDQH-DGCLKSJQSA-N 1 3 287.404 -0.740 20 0 CBADHO COCC[N@H+](CCNC(=O)[C@H]1CCCN1C)C[C@@H](C)O ZINC001411213298 904263921 /nfs/dbraw/zinc/26/39/21/904263921.db2.gz FOUNOMRFKVDCTH-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO COCC[N@@H+](CCNC(=O)[C@H]1CCCN1C)C[C@@H](C)O ZINC001411213298 904263936 /nfs/dbraw/zinc/26/39/36/904263936.db2.gz FOUNOMRFKVDCTH-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO COC(=O)[C@H]1CN(C)CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001413004279 904860234 /nfs/dbraw/zinc/86/02/34/904860234.db2.gz APQFDUJFLMMJTC-GXTWGEPZSA-N 1 3 299.415 -0.522 20 0 CBADHO COC(=O)[C@H]1CN(C)CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001413004279 904860248 /nfs/dbraw/zinc/86/02/48/904860248.db2.gz APQFDUJFLMMJTC-GXTWGEPZSA-N 1 3 299.415 -0.522 20 0 CBADHO CN(CC[N@H+](C)CCO)C(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001413327257 905020661 /nfs/dbraw/zinc/02/06/61/905020661.db2.gz PBZLDPOEZAINDB-CHWSQXEVSA-N 1 3 287.404 -0.786 20 0 CBADHO CN(CC[N@@H+](C)CCO)C(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001413327257 905020680 /nfs/dbraw/zinc/02/06/80/905020680.db2.gz PBZLDPOEZAINDB-CHWSQXEVSA-N 1 3 287.404 -0.786 20 0 CBADHO C[NH+](C)CCCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001416039985 905698627 /nfs/dbraw/zinc/69/86/27/905698627.db2.gz PVNMGCXMPJFDTH-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001417985215 906131856 /nfs/dbraw/zinc/13/18/56/906131856.db2.gz QVDHQWDSXVCORF-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001418067369 906155655 /nfs/dbraw/zinc/15/56/55/906155655.db2.gz ZCECHJDIBDVJQJ-FIQHERPVSA-N 1 3 282.388 -0.548 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001418226571 906224657 /nfs/dbraw/zinc/22/46/57/906224657.db2.gz LLTSGXACXNSSHN-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001418232306 906226742 /nfs/dbraw/zinc/22/67/42/906226742.db2.gz CVUJDOVDCVLOSZ-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001418244498 906235504 /nfs/dbraw/zinc/23/55/04/906235504.db2.gz YQAMERCNXZWLNO-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(N)=O ZINC001418244498 906235520 /nfs/dbraw/zinc/23/55/20/906235520.db2.gz YQAMERCNXZWLNO-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418329914 906286231 /nfs/dbraw/zinc/28/62/31/906286231.db2.gz ZXLNSQRMRDADJL-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418813214 906484582 /nfs/dbraw/zinc/48/45/82/906484582.db2.gz VAALKZVFFKBJQC-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001418813214 906484598 /nfs/dbraw/zinc/48/45/98/906484598.db2.gz VAALKZVFFKBJQC-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001418813217 906485513 /nfs/dbraw/zinc/48/55/13/906485513.db2.gz VAALKZVFFKBJQC-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001418813217 906485517 /nfs/dbraw/zinc/48/55/17/906485517.db2.gz VAALKZVFFKBJQC-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418825924 906488188 /nfs/dbraw/zinc/48/81/88/906488188.db2.gz IKJBGMBRCPQHTR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418825924 906488197 /nfs/dbraw/zinc/48/81/97/906488197.db2.gz IKJBGMBRCPQHTR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001418825594 906489840 /nfs/dbraw/zinc/48/98/40/906489840.db2.gz IRPLAAUYSFAYMY-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001418835271 906494438 /nfs/dbraw/zinc/49/44/38/906494438.db2.gz WWKXSLPGJQQFMG-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001418835269 906495169 /nfs/dbraw/zinc/49/51/69/906495169.db2.gz WWKXSLPGJQQFMG-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCNC(=O)CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906693 906510524 /nfs/dbraw/zinc/51/05/24/906510524.db2.gz VSSMLDDIYFEEDY-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001419201679 906637675 /nfs/dbraw/zinc/63/76/75/906637675.db2.gz SRUGXVARPPNKBI-VXGBXAGGSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001419214547 906641586 /nfs/dbraw/zinc/64/15/86/906641586.db2.gz DEDBJGBULCUETR-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO Cn1nncc1CN[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001419286371 906655250 /nfs/dbraw/zinc/65/52/50/906655250.db2.gz XEFOBJMINXZJOT-CYBMUJFWSA-N 1 3 294.403 -0.249 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001419315272 906663526 /nfs/dbraw/zinc/66/35/26/906663526.db2.gz AKQKONQKDQFKOU-YPMHNXCESA-N 1 3 298.431 -0.055 20 0 CBADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001419337405 906666847 /nfs/dbraw/zinc/66/68/47/906666847.db2.gz BLYJEEKTBXPLDQ-FZMZJTMJSA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001419422084 906683617 /nfs/dbraw/zinc/68/36/17/906683617.db2.gz DFWYHOSGSUKBLC-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001419434030 906686093 /nfs/dbraw/zinc/68/60/93/906686093.db2.gz BKRLBJLWKUQQHN-HAQNSBGRSA-N 1 3 294.403 -0.106 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419490981 906704352 /nfs/dbraw/zinc/70/43/52/906704352.db2.gz JJROFXPLUNOACY-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001419519681 906713216 /nfs/dbraw/zinc/71/32/16/906713216.db2.gz NQJURVKHCZESIU-RNJOBUHISA-N 1 3 296.415 -0.206 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001419528539 906714737 /nfs/dbraw/zinc/71/47/37/906714737.db2.gz QAGIDONPXVRLQK-KOLCDFICSA-N 1 3 295.387 -0.134 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001419700474 906773019 /nfs/dbraw/zinc/77/30/19/906773019.db2.gz AEOVNALRTXOWME-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001419528541 906717223 /nfs/dbraw/zinc/71/72/23/906717223.db2.gz QAGIDONPXVRLQK-MWLCHTKSSA-N 1 3 295.387 -0.134 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)C(N)=O ZINC001419625860 906742960 /nfs/dbraw/zinc/74/29/60/906742960.db2.gz QLOAWRDTACBODW-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001419693993 906770199 /nfs/dbraw/zinc/77/01/99/906770199.db2.gz AEFMLSOLEGPWNU-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703625 906775148 /nfs/dbraw/zinc/77/51/48/906775148.db2.gz NQNRHEUCEVZLBC-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC1CC1 ZINC001419824085 906822551 /nfs/dbraw/zinc/82/25/51/906822551.db2.gz AVLVIDKMKZMKBP-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843889 906832597 /nfs/dbraw/zinc/83/25/97/906832597.db2.gz UYFBDXJINIIUAT-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902628 906850988 /nfs/dbraw/zinc/85/09/88/906850988.db2.gz ONHURLQBDFNSMP-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902628 906850991 /nfs/dbraw/zinc/85/09/91/906850991.db2.gz ONHURLQBDFNSMP-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905246 906853773 /nfs/dbraw/zinc/85/37/73/906853773.db2.gz QUMWITBUHYYBRA-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904781 906853896 /nfs/dbraw/zinc/85/38/96/906853896.db2.gz QIXKUZLEPKARTD-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904781 906853905 /nfs/dbraw/zinc/85/39/05/906853905.db2.gz QIXKUZLEPKARTD-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001420012671 906893568 /nfs/dbraw/zinc/89/35/68/906893568.db2.gz KXNFTSAIGZHRIJ-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1cncs1 ZINC001420150201 906971119 /nfs/dbraw/zinc/97/11/19/906971119.db2.gz UONRMQIPHRLKGR-SNVBAGLBSA-N 1 3 286.401 -0.339 20 0 CBADHO Cn1ccnc1CNC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194742 907005072 /nfs/dbraw/zinc/00/50/72/907005072.db2.gz WJVPNPSMEBSFMG-LBPRGKRZSA-N 1 3 295.387 -0.917 20 0 CBADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O ZINC001420246114 907041510 /nfs/dbraw/zinc/04/15/10/907041510.db2.gz RJKPGEHPQUZXMV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420247318 907045110 /nfs/dbraw/zinc/04/51/10/907045110.db2.gz DPHJQUZPMFWUPJ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420247318 907045122 /nfs/dbraw/zinc/04/51/22/907045122.db2.gz DPHJQUZPMFWUPJ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(N)=O)CC[N@@H+]1C ZINC001420294032 907079394 /nfs/dbraw/zinc/07/93/94/907079394.db2.gz VREDCRNWFNNVAC-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(N)=O)CC[N@H+]1C ZINC001420294032 907079412 /nfs/dbraw/zinc/07/94/12/907079412.db2.gz VREDCRNWFNNVAC-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420326117 907102944 /nfs/dbraw/zinc/10/29/44/907102944.db2.gz XFESPMYBEUFISX-MROQNXINSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420326117 907102964 /nfs/dbraw/zinc/10/29/64/907102964.db2.gz XFESPMYBEUFISX-MROQNXINSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CN[C@H]1CCNC1=O)[NH+](C)C ZINC001420465621 907176409 /nfs/dbraw/zinc/17/64/09/907176409.db2.gz XLZLGKFVXVJOJN-SDDRHHMPSA-N 1 3 284.404 -0.445 20 0 CBADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420509644 907188789 /nfs/dbraw/zinc/18/87/89/907188789.db2.gz DVOLZKQCBDFTFW-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420509644 907188794 /nfs/dbraw/zinc/18/87/94/907188794.db2.gz DVOLZKQCBDFTFW-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001420521444 907191222 /nfs/dbraw/zinc/19/12/22/907191222.db2.gz ZZEVBCKPXXCCBW-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001420711474 907273365 /nfs/dbraw/zinc/27/33/65/907273365.db2.gz CRYMZRVGUKEBFW-NEPJUHHUSA-N 1 3 282.388 -0.641 20 0 CBADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937957 907366083 /nfs/dbraw/zinc/36/60/83/907366083.db2.gz GKIBGBNJELZMEP-NWDGAFQWSA-N 1 3 284.404 -0.408 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421125689 907437809 /nfs/dbraw/zinc/43/78/09/907437809.db2.gz LJZFTDHPRSWRNN-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421125689 907437817 /nfs/dbraw/zinc/43/78/17/907437817.db2.gz LJZFTDHPRSWRNN-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001421124901 907438414 /nfs/dbraw/zinc/43/84/14/907438414.db2.gz KBYYPHYUEPJBTA-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421383773 907516218 /nfs/dbraw/zinc/51/62/18/907516218.db2.gz CSIYGLRZSDPOKZ-TZMCWYRMSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001421383773 907516232 /nfs/dbraw/zinc/51/62/32/907516232.db2.gz CSIYGLRZSDPOKZ-TZMCWYRMSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCC(N)=O ZINC001421421360 907537352 /nfs/dbraw/zinc/53/73/52/907537352.db2.gz NQGJKXUUHPHUJA-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCC(N)=O ZINC001421421360 907537368 /nfs/dbraw/zinc/53/73/68/907537368.db2.gz NQGJKXUUHPHUJA-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448810 907551543 /nfs/dbraw/zinc/55/15/43/907551543.db2.gz HVTDYXOBHSCCEC-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001421503459 907568979 /nfs/dbraw/zinc/56/89/79/907568979.db2.gz UFBXMCLWYWHJAI-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001502079380 921336234 /nfs/dbraw/zinc/33/62/34/921336234.db2.gz OWMGZVGPZLSNBL-GFCCVEGCSA-N 1 3 282.344 -0.584 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001421915168 907678944 /nfs/dbraw/zinc/67/89/44/907678944.db2.gz VWICLBLZWACQQH-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421947620 907685844 /nfs/dbraw/zinc/68/58/44/907685844.db2.gz VFSSHAANCIEVRB-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421947620 907685860 /nfs/dbraw/zinc/68/58/60/907685860.db2.gz VFSSHAANCIEVRB-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421947624 907685893 /nfs/dbraw/zinc/68/58/93/907685893.db2.gz VFSSHAANCIEVRB-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421947624 907685905 /nfs/dbraw/zinc/68/59/05/907685905.db2.gz VFSSHAANCIEVRB-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1)C1CCC1 ZINC001421974449 907694045 /nfs/dbraw/zinc/69/40/45/907694045.db2.gz STUASSAPPXMSRW-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421985213 907698351 /nfs/dbraw/zinc/69/83/51/907698351.db2.gz DYIRPZGKMVJWIA-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421985213 907698356 /nfs/dbraw/zinc/69/83/56/907698356.db2.gz DYIRPZGKMVJWIA-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421992767 907698550 /nfs/dbraw/zinc/69/85/50/907698550.db2.gz PRUFCXUCQJOOBD-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421992767 907698557 /nfs/dbraw/zinc/69/85/57/907698557.db2.gz PRUFCXUCQJOOBD-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421996820 907699842 /nfs/dbraw/zinc/69/98/42/907699842.db2.gz XESDDAMMNAXMIG-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421996820 907699849 /nfs/dbraw/zinc/69/98/49/907699849.db2.gz XESDDAMMNAXMIG-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001422111506 907720172 /nfs/dbraw/zinc/72/01/72/907720172.db2.gz XOSXMDZWSCYPMH-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390310 907840064 /nfs/dbraw/zinc/84/00/64/907840064.db2.gz QYIWUZNDRGELRG-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC ZINC001422419942 907849315 /nfs/dbraw/zinc/84/93/15/907849315.db2.gz OSBOAIBZHJACPO-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001422503905 907897163 /nfs/dbraw/zinc/89/71/63/907897163.db2.gz DEVZRRQAFUHEAV-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001422617395 907944599 /nfs/dbraw/zinc/94/45/99/907944599.db2.gz KABDDUUQZLDKBH-MNOVXSKESA-N 1 3 272.393 -0.315 20 0 CBADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422616481 907944844 /nfs/dbraw/zinc/94/48/44/907944844.db2.gz OVGGQJSAIZZPCN-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422616481 907944855 /nfs/dbraw/zinc/94/48/55/907944855.db2.gz OVGGQJSAIZZPCN-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCC1 ZINC001422829441 908029756 /nfs/dbraw/zinc/02/97/56/908029756.db2.gz HWFOQXSVQLHXRW-XYYAHUGASA-N 1 3 281.400 -0.243 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCC1 ZINC001422829441 908029771 /nfs/dbraw/zinc/02/97/71/908029771.db2.gz HWFOQXSVQLHXRW-XYYAHUGASA-N 1 3 281.400 -0.243 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001423039959 908081800 /nfs/dbraw/zinc/08/18/00/908081800.db2.gz GXJWDXCSKRTQHL-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001423039959 908081816 /nfs/dbraw/zinc/08/18/16/908081816.db2.gz GXJWDXCSKRTQHL-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001423125542 908114357 /nfs/dbraw/zinc/11/43/57/908114357.db2.gz GGGDXDHKIADUFU-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423167503 908124612 /nfs/dbraw/zinc/12/46/12/908124612.db2.gz NIBDOZKTEAZAQR-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001423325125 908201505 /nfs/dbraw/zinc/20/15/05/908201505.db2.gz MGFAVQICFCXGGU-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423325119 908202601 /nfs/dbraw/zinc/20/26/01/908202601.db2.gz MGFAVQICFCXGGU-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001423339452 908205999 /nfs/dbraw/zinc/20/59/99/908205999.db2.gz IFUCTWSTPUDXPO-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423332070 908206716 /nfs/dbraw/zinc/20/67/16/908206716.db2.gz VKOACPGFGAKGGJ-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001423481722 908250807 /nfs/dbraw/zinc/25/08/07/908250807.db2.gz MFQXVQDJTSMDHI-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423532212 908275467 /nfs/dbraw/zinc/27/54/67/908275467.db2.gz JHZLMQNWAVFXMM-CYBMUJFWSA-N 1 3 299.415 -0.520 20 0 CBADHO COCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](C)O ZINC001423641218 908299813 /nfs/dbraw/zinc/29/98/13/908299813.db2.gz LAWQJEKCFMELJD-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](C)O ZINC001423641218 908299828 /nfs/dbraw/zinc/29/98/28/908299828.db2.gz LAWQJEKCFMELJD-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001424213548 908423876 /nfs/dbraw/zinc/42/38/76/908423876.db2.gz MUODSQFWJGRAQZ-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001424492014 908463675 /nfs/dbraw/zinc/46/36/75/908463675.db2.gz UMHIVWDNADBXQP-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793198 908507583 /nfs/dbraw/zinc/50/75/83/908507583.db2.gz SLVOERWMPVKCGI-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793202 908508030 /nfs/dbraw/zinc/50/80/30/908508030.db2.gz SLVOERWMPVKCGI-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001425573469 908676627 /nfs/dbraw/zinc/67/66/27/908676627.db2.gz HBIYWXFVCDQLTH-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686125 908689572 /nfs/dbraw/zinc/68/95/72/908689572.db2.gz UZITZNKNLJVUOI-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678038 908689647 /nfs/dbraw/zinc/68/96/47/908689647.db2.gz CWJCBGMSHVHZTI-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678038 908689656 /nfs/dbraw/zinc/68/96/56/908689656.db2.gz CWJCBGMSHVHZTI-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001425886717 908776562 /nfs/dbraw/zinc/77/65/62/908776562.db2.gz UTFJBXYLTLLASL-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505678618 921463730 /nfs/dbraw/zinc/46/37/30/921463730.db2.gz PEZUYARUBZBOBN-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001429382191 909235656 /nfs/dbraw/zinc/23/56/56/909235656.db2.gz GHMZWRRSHDORQN-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001429382191 909235666 /nfs/dbraw/zinc/23/56/66/909235666.db2.gz GHMZWRRSHDORQN-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001431267358 909442219 /nfs/dbraw/zinc/44/22/19/909442219.db2.gz VVUFFXUMDRISST-NSHDSACASA-N 1 3 293.371 -0.522 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001431267358 909442236 /nfs/dbraw/zinc/44/22/36/909442236.db2.gz VVUFFXUMDRISST-NSHDSACASA-N 1 3 293.371 -0.522 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CCCC1 ZINC001431491160 909480763 /nfs/dbraw/zinc/48/07/63/909480763.db2.gz LNOKPENBDUUUCL-UHFFFAOYSA-N 1 3 284.404 -0.392 20 0 CBADHO Nc1nc(N)nc(N2CCC([NH2+]C3CCOCC3)CC2)n1 ZINC001434450720 910191425 /nfs/dbraw/zinc/19/14/25/910191425.db2.gz VEFVADUGWCIXEZ-UHFFFAOYSA-N 1 3 293.375 -0.227 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001436827781 910493748 /nfs/dbraw/zinc/49/37/48/910493748.db2.gz NRIHXICEQFXFPU-LBPRGKRZSA-N 1 3 294.399 -0.687 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001436977262 910523433 /nfs/dbraw/zinc/52/34/33/910523433.db2.gz KBIFQOFHJUZOAA-TXEJJXNPSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001437213899 910586564 /nfs/dbraw/zinc/58/65/64/910586564.db2.gz JXSLNRHLTVHNSG-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437218330 910589809 /nfs/dbraw/zinc/58/98/09/910589809.db2.gz ZOVYOJLXMAEKPS-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001437258404 910600809 /nfs/dbraw/zinc/60/08/09/910600809.db2.gz HHGCCHIVJQWGHF-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001437258404 910600827 /nfs/dbraw/zinc/60/08/27/910600827.db2.gz HHGCCHIVJQWGHF-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001437952040 910786052 /nfs/dbraw/zinc/78/60/52/910786052.db2.gz YYWZOIYQJDZDMF-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437952040 910786069 /nfs/dbraw/zinc/78/60/69/910786069.db2.gz YYWZOIYQJDZDMF-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(N)=O ZINC001438345890 910884058 /nfs/dbraw/zinc/88/40/58/910884058.db2.gz MKARVVXXBKPTMG-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438650588 910945372 /nfs/dbraw/zinc/94/53/72/910945372.db2.gz ZYRSWDFFQXKLNF-CMPLNLGQSA-N 1 3 282.388 -0.750 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001438718511 910962687 /nfs/dbraw/zinc/96/26/87/910962687.db2.gz YHVVGDIHMOHSHC-NEPJUHHUSA-N 1 3 286.420 -0.102 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001438718513 910964517 /nfs/dbraw/zinc/96/45/17/910964517.db2.gz YHVVGDIHMOHSHC-NWDGAFQWSA-N 1 3 286.420 -0.102 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001438718517 910964764 /nfs/dbraw/zinc/96/47/64/910964764.db2.gz YHVVGDIHMOHSHC-RYUDHWBXSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001439017462 911056125 /nfs/dbraw/zinc/05/61/25/911056125.db2.gz GBRJYNVOXSVMHV-RYUDHWBXSA-N 1 3 289.420 -0.588 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)CN1CCCC1 ZINC001439085942 911093395 /nfs/dbraw/zinc/09/33/95/911093395.db2.gz SEAMMQOIIIGJJP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001439152332 911118376 /nfs/dbraw/zinc/11/83/76/911118376.db2.gz HWVDFQQKUYJVNP-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001439220125 911144517 /nfs/dbraw/zinc/14/45/17/911144517.db2.gz GGAAAMLQIXVMBT-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439244052 911153366 /nfs/dbraw/zinc/15/33/66/911153366.db2.gz QRNKTDMSQMOQHL-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439244052 911153371 /nfs/dbraw/zinc/15/33/71/911153371.db2.gz QRNKTDMSQMOQHL-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001439889411 911304504 /nfs/dbraw/zinc/30/45/04/911304504.db2.gz LPCRNCXLXJPSMO-HNNXBMFYSA-N 1 3 296.415 -0.216 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905155 911312864 /nfs/dbraw/zinc/31/28/64/911312864.db2.gz WWGKDYLJCWZMGU-BXUZGUMPSA-N 1 3 282.388 -0.606 20 0 CBADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001439991646 911330585 /nfs/dbraw/zinc/33/05/85/911330585.db2.gz QULLJQVZJVOYJV-CQSZACIVSA-N 1 3 299.415 -0.330 20 0 CBADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001439991646 911330601 /nfs/dbraw/zinc/33/06/01/911330601.db2.gz QULLJQVZJVOYJV-CQSZACIVSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001440374920 911441223 /nfs/dbraw/zinc/44/12/23/911441223.db2.gz LBGIJHHLJQGUML-GXTWGEPZSA-N 1 3 299.415 -0.332 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440586717 911474478 /nfs/dbraw/zinc/47/44/78/911474478.db2.gz FUOXQLPTXYRMKL-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440842514 911529490 /nfs/dbraw/zinc/52/94/90/911529490.db2.gz SAYIHMPXWVMGQT-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441349000 911647216 /nfs/dbraw/zinc/64/72/16/911647216.db2.gz WGZCOGYLBAGAOY-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001441350239 911648469 /nfs/dbraw/zinc/64/84/69/911648469.db2.gz FCQYNFQISXKTPF-HAQNSBGRSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCNC1=O ZINC001507116424 921680660 /nfs/dbraw/zinc/68/06/60/921680660.db2.gz FULVCIIFIOMGAW-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCn1cncn1 ZINC001507128596 921684584 /nfs/dbraw/zinc/68/45/84/921684584.db2.gz KACYTSGCTUCAHQ-NSHDSACASA-N 1 3 291.359 -0.320 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCNC1=O ZINC001441593295 911713116 /nfs/dbraw/zinc/71/31/16/911713116.db2.gz NFPNVBFFERSFLN-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCn1cncn1 ZINC001507128595 921685688 /nfs/dbraw/zinc/68/56/88/921685688.db2.gz KACYTSGCTUCAHQ-LLVKDONJSA-N 1 3 291.359 -0.320 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)[NH+](C)C ZINC001441625265 911720941 /nfs/dbraw/zinc/72/09/41/911720941.db2.gz XAWGRDSIBVBWFM-ZYHUDNBSSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001441657965 911726846 /nfs/dbraw/zinc/72/68/46/911726846.db2.gz YOWBYRQADMFNJC-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001441657965 911726851 /nfs/dbraw/zinc/72/68/51/911726851.db2.gz YOWBYRQADMFNJC-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507146269 921688035 /nfs/dbraw/zinc/68/80/35/921688035.db2.gz BXNFIVAYMVGAPA-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)C1CCC1 ZINC001441716808 911762427 /nfs/dbraw/zinc/76/24/27/911762427.db2.gz SYBFUPHDFNLJMC-QWHCGFSZSA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCNC1=O ZINC001507150552 921691202 /nfs/dbraw/zinc/69/12/02/921691202.db2.gz YOSSUSHKZQMFKZ-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H]1CCNC1=O ZINC001507150549 921692191 /nfs/dbraw/zinc/69/21/91/921692191.db2.gz YOSSUSHKZQMFKZ-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C[C@@H]1C ZINC001441857744 911835845 /nfs/dbraw/zinc/83/58/45/911835845.db2.gz GNJLPVYEQMBXSV-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C[C@@H]1C ZINC001441857744 911835852 /nfs/dbraw/zinc/83/58/52/911835852.db2.gz GNJLPVYEQMBXSV-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441928117 911855997 /nfs/dbraw/zinc/85/59/97/911855997.db2.gz AHHDXRGGKULYPH-SNVBAGLBSA-N 1 3 270.377 -0.832 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441935381 911857961 /nfs/dbraw/zinc/85/79/61/911857961.db2.gz JVUFPHUGGTXOEJ-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001442066698 911915635 /nfs/dbraw/zinc/91/56/35/911915635.db2.gz OCTOGSWBKSMWIH-LBPRGKRZSA-N 1 3 282.392 -0.287 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001442165981 911942019 /nfs/dbraw/zinc/94/20/19/911942019.db2.gz BBLJATQQXZOOSX-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001443073882 912148948 /nfs/dbraw/zinc/14/89/48/912148948.db2.gz AWYLFWZOFNCOHP-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443090027 912150363 /nfs/dbraw/zinc/15/03/63/912150363.db2.gz IOIPROSBISUOCF-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443090027 912150378 /nfs/dbraw/zinc/15/03/78/912150378.db2.gz IOIPROSBISUOCF-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443099107 912156484 /nfs/dbraw/zinc/15/64/84/912156484.db2.gz KPMMNLJPYSASNN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443099107 912156493 /nfs/dbraw/zinc/15/64/93/912156493.db2.gz KPMMNLJPYSASNN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443099101 912158088 /nfs/dbraw/zinc/15/80/88/912158088.db2.gz KPMMNLJPYSASNN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443099101 912158096 /nfs/dbraw/zinc/15/80/96/912158096.db2.gz KPMMNLJPYSASNN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)C3(O)COC3)CC2)CC1 ZINC001464609972 914995570 /nfs/dbraw/zinc/99/55/70/914995570.db2.gz NPFAQLNGWPSLGB-UHFFFAOYSA-N 1 3 297.399 -0.578 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001472626946 915755900 /nfs/dbraw/zinc/75/59/00/915755900.db2.gz OGZJDKKTZCLYJJ-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001472626946 915755915 /nfs/dbraw/zinc/75/59/15/915755915.db2.gz OGZJDKKTZCLYJJ-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316831 921807186 /nfs/dbraw/zinc/80/71/86/921807186.db2.gz FHDVUEARYDLETQ-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001480047350 916271142 /nfs/dbraw/zinc/27/11/42/916271142.db2.gz RBRNOOBIQTZBFL-DGCLKSJQSA-N 1 3 269.389 -0.195 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061296 916275954 /nfs/dbraw/zinc/27/59/54/916275954.db2.gz HDGNYMBNSXRBRM-RYUDHWBXSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061296 916275977 /nfs/dbraw/zinc/27/59/77/916275977.db2.gz HDGNYMBNSXRBRM-RYUDHWBXSA-N 1 3 282.388 -0.832 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001480173859 916319437 /nfs/dbraw/zinc/31/94/37/916319437.db2.gz OQFQEEWSOKGNKD-SRVKXCTJSA-N 1 3 284.404 -0.173 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001480301987 916353818 /nfs/dbraw/zinc/35/38/18/916353818.db2.gz DBLDJSGHNCETDZ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001480410391 916375533 /nfs/dbraw/zinc/37/55/33/916375533.db2.gz HYLRNKSMZFKLCE-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCC(N)=O)CC1 ZINC001480563691 916474853 /nfs/dbraw/zinc/47/48/53/916474853.db2.gz ZWCTVADIJZURPS-NSHDSACASA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001480566947 916479603 /nfs/dbraw/zinc/47/96/03/916479603.db2.gz XNMLNROQTSCUHP-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001480566947 916479617 /nfs/dbraw/zinc/47/96/17/916479617.db2.gz XNMLNROQTSCUHP-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589790 916482723 /nfs/dbraw/zinc/48/27/23/916482723.db2.gz CLLWKKOLRMVBNX-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589790 916482734 /nfs/dbraw/zinc/48/27/34/916482734.db2.gz CLLWKKOLRMVBNX-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001480576663 916483593 /nfs/dbraw/zinc/48/35/93/916483593.db2.gz KAPUAKUXFCDRHE-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001480576664 916484886 /nfs/dbraw/zinc/48/48/86/916484886.db2.gz KAPUAKUXFCDRHE-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590138 916488493 /nfs/dbraw/zinc/48/84/93/916488493.db2.gz HIMCPAZCVNLVDV-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590138 916488497 /nfs/dbraw/zinc/48/84/97/916488497.db2.gz HIMCPAZCVNLVDV-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001480597541 916488946 /nfs/dbraw/zinc/48/89/46/916488946.db2.gz QVZHWZJQPJPTJT-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001481228879 916776463 /nfs/dbraw/zinc/77/64/63/916776463.db2.gz KOEZPEGLHRNECM-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001481228879 916776478 /nfs/dbraw/zinc/77/64/78/916776478.db2.gz KOEZPEGLHRNECM-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481273568 916799033 /nfs/dbraw/zinc/79/90/33/916799033.db2.gz WDUKTMGDWFZYFT-UHFFFAOYSA-N 1 3 270.377 -0.878 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314675 916812612 /nfs/dbraw/zinc/81/26/12/916812612.db2.gz JWIIVPQJYFEZNS-NEPJUHHUSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314675 916812629 /nfs/dbraw/zinc/81/26/29/916812629.db2.gz JWIIVPQJYFEZNS-NEPJUHHUSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314239 916812761 /nfs/dbraw/zinc/81/27/61/916812761.db2.gz BWSSQLSJABGERV-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314239 916812775 /nfs/dbraw/zinc/81/27/75/916812775.db2.gz BWSSQLSJABGERV-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481812526 916994962 /nfs/dbraw/zinc/99/49/62/916994962.db2.gz OCYXNBSBHKHRIC-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481812526 916994973 /nfs/dbraw/zinc/99/49/73/916994973.db2.gz OCYXNBSBHKHRIC-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001482173331 917075085 /nfs/dbraw/zinc/07/50/85/917075085.db2.gz JPPGBYADTLXFTF-SNVBAGLBSA-N 1 3 258.366 -0.846 20 0 CBADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CCCN1C ZINC001482318880 917126674 /nfs/dbraw/zinc/12/66/74/917126674.db2.gz HKTZNIGMPOTZGA-CHWSQXEVSA-N 1 3 294.403 -0.191 20 0 CBADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325837 917127770 /nfs/dbraw/zinc/12/77/70/917127770.db2.gz MSFMMJMECCRULY-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCCO)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482648954 917195931 /nfs/dbraw/zinc/19/59/31/917195931.db2.gz CJSPBMYFTHJGLS-GFCCVEGCSA-N 1 3 257.378 -0.289 20 0 CBADHO CN(CCCO)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482648954 917195940 /nfs/dbraw/zinc/19/59/40/917195940.db2.gz CJSPBMYFTHJGLS-GFCCVEGCSA-N 1 3 257.378 -0.289 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001482764925 917264020 /nfs/dbraw/zinc/26/40/20/917264020.db2.gz ZASIBFZPQCNWIL-ZDUSSCGKSA-N 1 3 280.372 -0.400 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001482892369 917323227 /nfs/dbraw/zinc/32/32/27/917323227.db2.gz SQZXKYXYRHUJPB-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(CC[NH2+]C[C@@H](O)COC)C(=O)[C@H]1CCCN1C ZINC001482941970 917346834 /nfs/dbraw/zinc/34/68/34/917346834.db2.gz DGDHTCVITOJGOT-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054203 917393191 /nfs/dbraw/zinc/39/31/91/917393191.db2.gz KUNURCVCQVWHAL-PGLGOXFNSA-N 1 3 282.388 -0.536 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CCO)N(C)C ZINC001483085719 917404314 /nfs/dbraw/zinc/40/43/14/917404314.db2.gz FPYGZRUEQYFVEJ-FOQNGQEVSA-N 1 3 257.378 -0.173 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CCO)N(C)C ZINC001483085715 917406031 /nfs/dbraw/zinc/40/60/31/917406031.db2.gz FPYGZRUEQYFVEJ-BTDICHCPSA-N 1 3 257.378 -0.173 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001483137226 917429631 /nfs/dbraw/zinc/42/96/31/917429631.db2.gz NIJXKWLKXJYYIJ-ZYHUDNBSSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156914 917437979 /nfs/dbraw/zinc/43/79/79/917437979.db2.gz UQFAVUQURTZTBW-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](C[NH2+]CCn1cncn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483166371 917450052 /nfs/dbraw/zinc/45/00/52/917450052.db2.gz GUIHWJUTEDBHDP-CHWSQXEVSA-N 1 3 294.403 -0.286 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001483470301 917573776 /nfs/dbraw/zinc/57/37/76/917573776.db2.gz BVSNRQWUUMFFGM-NEPJUHHUSA-N 1 3 286.420 -0.116 20 0 CBADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001483495159 917581390 /nfs/dbraw/zinc/58/13/90/917581390.db2.gz QWMANNGIPHZRHG-LBPRGKRZSA-N 1 3 293.371 -0.379 20 0 CBADHO C[C@@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603484 917603472 /nfs/dbraw/zinc/60/34/72/917603472.db2.gz ZUNXCXKHFMNLEF-ZYHUDNBSSA-N 1 3 294.399 -0.560 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001483951861 917712565 /nfs/dbraw/zinc/71/25/65/917712565.db2.gz MNZFEJQVSFNLTF-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484007165 917720355 /nfs/dbraw/zinc/72/03/55/917720355.db2.gz UGJPJECCGVJHRS-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC)C1)N(C)C ZINC001484248085 917789976 /nfs/dbraw/zinc/78/99/76/917789976.db2.gz ZNSDAURTEIOIOF-YPMHNXCESA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC)C1)N(C)C ZINC001484248085 917789983 /nfs/dbraw/zinc/78/99/83/917789983.db2.gz ZNSDAURTEIOIOF-YPMHNXCESA-N 1 3 257.378 -0.101 20 0 CBADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001484814780 917940755 /nfs/dbraw/zinc/94/07/55/917940755.db2.gz QIOFHGOQGWMWPT-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484902002 917961778 /nfs/dbraw/zinc/96/17/78/917961778.db2.gz NACXGQCKWLEJHR-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484902002 917961790 /nfs/dbraw/zinc/96/17/90/917961790.db2.gz NACXGQCKWLEJHR-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218072 918032820 /nfs/dbraw/zinc/03/28/20/918032820.db2.gz XVNGURWTVDRQOO-UWVGGRQHSA-N 1 3 268.361 -0.950 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001485624956 918157638 /nfs/dbraw/zinc/15/76/38/918157638.db2.gz YMZACDGRXPBXLN-XYYAHUGASA-N 1 3 292.383 -0.063 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001485624956 918157652 /nfs/dbraw/zinc/15/76/52/918157652.db2.gz YMZACDGRXPBXLN-XYYAHUGASA-N 1 3 292.383 -0.063 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001485703179 918169781 /nfs/dbraw/zinc/16/97/81/918169781.db2.gz RTTCFCCQSMSESF-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001485739723 918177061 /nfs/dbraw/zinc/17/70/61/918177061.db2.gz YWTMZIZNDXMTND-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001485881291 918218041 /nfs/dbraw/zinc/21/80/41/918218041.db2.gz FGZMIMIBSCKCLO-QWRGUYRKSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001485921028 918229696 /nfs/dbraw/zinc/22/96/96/918229696.db2.gz XUCFVHDMXLAJNE-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H](C)C(N)=O ZINC001485919701 918231800 /nfs/dbraw/zinc/23/18/00/918231800.db2.gz OAUDDVGVBHKQDQ-NXEZZACHSA-N 1 3 258.366 -0.752 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001485919703 918232205 /nfs/dbraw/zinc/23/22/05/918232205.db2.gz OAUDDVGVBHKQDQ-VHSXEESVSA-N 1 3 258.366 -0.752 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001485956111 918240303 /nfs/dbraw/zinc/24/03/03/918240303.db2.gz UAZBTLHFXLGKQV-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486086748 918362365 /nfs/dbraw/zinc/36/23/65/918362365.db2.gz ZHVJUUSWAIFBKY-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001486097261 918363639 /nfs/dbraw/zinc/36/36/39/918363639.db2.gz SVLQNFSXWYWLSL-KGLIPLIRSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001486097262 918364573 /nfs/dbraw/zinc/36/45/73/918364573.db2.gz SVLQNFSXWYWLSL-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203614 918381257 /nfs/dbraw/zinc/38/12/57/918381257.db2.gz ZVYKPWOEWSIDGA-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001488772723 918764406 /nfs/dbraw/zinc/76/44/06/918764406.db2.gz MAWPCUJPWCTPFA-UPJWGTAASA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001488857947 918775291 /nfs/dbraw/zinc/77/52/91/918775291.db2.gz GKVNFDSWIVJUQP-RNJOBUHISA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001490836703 918975170 /nfs/dbraw/zinc/97/51/70/918975170.db2.gz XVXLSZJCAOVHPQ-GRYCIOLGSA-N 1 3 282.388 -0.594 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001491079758 919024389 /nfs/dbraw/zinc/02/43/89/919024389.db2.gz GANUUIKJTSZJKQ-UTUOFQBUSA-N 1 3 284.404 -0.302 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001491073061 919025124 /nfs/dbraw/zinc/02/51/24/919025124.db2.gz DGINCWAWZSBZQK-GRYCIOLGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001491335583 919117591 /nfs/dbraw/zinc/11/75/91/919117591.db2.gz NFNMJRZEKXMPNY-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001491335583 919117598 /nfs/dbraw/zinc/11/75/98/919117598.db2.gz NFNMJRZEKXMPNY-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001491477654 919176650 /nfs/dbraw/zinc/17/66/50/919176650.db2.gz LHVFREVGZSBMKS-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491635972 919240508 /nfs/dbraw/zinc/24/05/08/919240508.db2.gz CKFKISDYZYNVCP-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001491635972 919240516 /nfs/dbraw/zinc/24/05/16/919240516.db2.gz CKFKISDYZYNVCP-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCCO ZINC001491652007 919242448 /nfs/dbraw/zinc/24/24/48/919242448.db2.gz USFODUSTOUSDEK-VIFPVBQESA-N 1 3 254.334 -0.263 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491849114 919290346 /nfs/dbraw/zinc/29/03/46/919290346.db2.gz DKRSMINBQSECIW-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001493235663 919509496 /nfs/dbraw/zinc/50/94/96/919509496.db2.gz XELLTGPBQUAROO-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549064 919576369 /nfs/dbraw/zinc/57/63/69/919576369.db2.gz CKLSUCXHPQMHQI-PWSUYJOCSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001493681623 919603103 /nfs/dbraw/zinc/60/31/03/919603103.db2.gz NFZCNDKAXHHTJL-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001493754212 919617574 /nfs/dbraw/zinc/61/75/74/919617574.db2.gz ZNDIDZKQFGWAAT-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001493754212 919617587 /nfs/dbraw/zinc/61/75/87/919617587.db2.gz ZNDIDZKQFGWAAT-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001493807239 919625877 /nfs/dbraw/zinc/62/58/77/919625877.db2.gz XYBCFCUPVKONDB-LBPRGKRZSA-N 1 3 286.420 -0.149 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001494856190 919801474 /nfs/dbraw/zinc/80/14/74/919801474.db2.gz LVAIITHFDLCWAR-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001494856190 919801485 /nfs/dbraw/zinc/80/14/85/919801485.db2.gz LVAIITHFDLCWAR-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495106981 919865960 /nfs/dbraw/zinc/86/59/60/919865960.db2.gz JKCQABIWGSYFIW-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001495106981 919865979 /nfs/dbraw/zinc/86/59/79/919865979.db2.gz JKCQABIWGSYFIW-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(N)=O)N(C)C ZINC001497265402 920276748 /nfs/dbraw/zinc/27/67/48/920276748.db2.gz VOJSTRNLGPKVNE-ZYHUDNBSSA-N 1 3 272.393 -0.458 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CCCN1C ZINC001497362799 920294193 /nfs/dbraw/zinc/29/41/93/920294193.db2.gz VBGFSZBKDKSEHU-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001497898609 920420437 /nfs/dbraw/zinc/42/04/37/920420437.db2.gz DJAYAMWDTUVWNI-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983745 920434262 /nfs/dbraw/zinc/43/42/62/920434262.db2.gz KRHKYXIQTWHYAD-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983745 920434273 /nfs/dbraw/zinc/43/42/73/920434273.db2.gz KRHKYXIQTWHYAD-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001498064090 920468205 /nfs/dbraw/zinc/46/82/05/920468205.db2.gz GXUYOWHHPOCKOC-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498064090 920468223 /nfs/dbraw/zinc/46/82/23/920468223.db2.gz GXUYOWHHPOCKOC-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498390343 920574365 /nfs/dbraw/zinc/57/43/65/920574365.db2.gz HDPFQHQMUGCVPM-LBPRGKRZSA-N 1 3 282.388 -0.641 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001498568823 920608434 /nfs/dbraw/zinc/60/84/34/920608434.db2.gz ZYMWRBQGQRRMTF-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CC)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498559695 920610138 /nfs/dbraw/zinc/61/01/38/920610138.db2.gz BPUINPFKEADZPH-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)CCC1 ZINC001498768908 920638763 /nfs/dbraw/zinc/63/87/63/920638763.db2.gz FOQQDHWIQUVUHZ-NSHDSACASA-N 1 3 282.388 -0.560 20 0 CBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001499909526 920784656 /nfs/dbraw/zinc/78/46/56/920784656.db2.gz WRJRZDSMXXLKPU-LBPRGKRZSA-N 1 3 294.399 -0.319 20 0 CBADHO C[NH+]1CCC(OCC(=O)N[C@@]2(C)CCN(CCO)C2)CC1 ZINC001500272288 920823234 /nfs/dbraw/zinc/82/32/34/920823234.db2.gz MKNIYDWSPLPKRH-HNNXBMFYSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051086 920939329 /nfs/dbraw/zinc/93/93/29/920939329.db2.gz RHAZTOSBRLUQJQ-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507329478 921811393 /nfs/dbraw/zinc/81/13/93/921811393.db2.gz VJRIBPMYMHBIAI-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001507329474 921812728 /nfs/dbraw/zinc/81/27/28/921812728.db2.gz VJRIBPMYMHBIAI-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)CCC1 ZINC001507485470 921846499 /nfs/dbraw/zinc/84/64/99/921846499.db2.gz YLNPPWMSRWPJOM-LBPRGKRZSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC001508145724 921916745 /nfs/dbraw/zinc/91/67/45/921916745.db2.gz QHZGDGBKYBGEIT-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001521152467 922336393 /nfs/dbraw/zinc/33/63/93/922336393.db2.gz WHDNPDSDDXZGCM-NXEZZACHSA-N 1 3 257.334 -0.617 20 0 CBADHO C[C@H]1CN(CCCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001521445653 922356657 /nfs/dbraw/zinc/35/66/57/922356657.db2.gz IBRNLFYOZIRKFZ-STQMWFEESA-N 1 3 286.420 -0.460 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001522278853 922402672 /nfs/dbraw/zinc/40/26/72/922402672.db2.gz OONHETLIPMABTO-IJLUTSLNSA-N 1 3 254.378 -0.476 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c(c1)CNC2 ZINC001522247045 922404522 /nfs/dbraw/zinc/40/45/22/922404522.db2.gz BRMVTQSBEIUALO-CYBMUJFWSA-N 1 3 263.341 -0.058 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001522696611 922505133 /nfs/dbraw/zinc/50/51/33/922505133.db2.gz DOEVVMPCXAQINQ-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001522696611 922505139 /nfs/dbraw/zinc/50/51/39/922505139.db2.gz DOEVVMPCXAQINQ-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001522765411 922516906 /nfs/dbraw/zinc/51/69/06/922516906.db2.gz TWMCCMGJXKFTQJ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001522765411 922516921 /nfs/dbraw/zinc/51/69/21/922516921.db2.gz TWMCCMGJXKFTQJ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001530448844 922939340 /nfs/dbraw/zinc/93/93/40/922939340.db2.gz OMLOQAMHKQULAL-GFCCVEGCSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530448844 922939352 /nfs/dbraw/zinc/93/93/52/922939352.db2.gz OMLOQAMHKQULAL-GFCCVEGCSA-N 1 3 296.415 -0.395 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC001548554555 923376764 /nfs/dbraw/zinc/37/67/64/923376764.db2.gz ALELIQUXEOGOIG-RNCFNFMXSA-N 1 3 278.356 -0.118 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001548555142 923378171 /nfs/dbraw/zinc/37/81/71/923378171.db2.gz KBUHORRRJKKZJB-KBPBESRZSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001548558315 923383082 /nfs/dbraw/zinc/38/30/82/923383082.db2.gz HSGKFPGGSGWTEP-HZSPNIEDSA-N 1 3 280.416 -0.262 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001548558312 923383794 /nfs/dbraw/zinc/38/37/94/923383794.db2.gz HSGKFPGGSGWTEP-BFHYXJOUSA-N 1 3 280.416 -0.262 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001548558321 923384492 /nfs/dbraw/zinc/38/44/92/923384492.db2.gz HSGKFPGGSGWTEP-MGPQQGTHSA-N 1 3 280.416 -0.262 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548562488 923387479 /nfs/dbraw/zinc/38/74/79/923387479.db2.gz DOWOPSUVEUNKSW-MNOVXSKESA-N 1 3 273.402 -0.424 20 0 CBADHO COC[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCCN1 ZINC001548569549 923388868 /nfs/dbraw/zinc/38/88/68/923388868.db2.gz PHQPOVQHNLBXMX-SMDDNHRTSA-N 1 3 283.372 -0.608 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001548568448 923389668 /nfs/dbraw/zinc/38/96/68/923389668.db2.gz GZHHDBXAINSLGI-RWMBFGLXSA-N 1 3 279.384 -0.131 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548566024 923389820 /nfs/dbraw/zinc/38/98/20/923389820.db2.gz RZQWZXHEHDMPEM-QWRGUYRKSA-N 1 3 272.418 -0.899 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC001548575304 923401144 /nfs/dbraw/zinc/40/11/44/923401144.db2.gz AWLWLCJZHONIFS-GXTWGEPZSA-N 1 3 277.368 -0.088 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548580461 923404615 /nfs/dbraw/zinc/40/46/15/923404615.db2.gz YCVYOPSEOAOQMW-QWRGUYRKSA-N 1 3 267.373 -0.036 20 0 CBADHO COC[C@]1(C(=O)N2CCC3(CC2)CNCCO3)CC[NH2+]C1 ZINC001548586752 923407400 /nfs/dbraw/zinc/40/74/00/923407400.db2.gz SGNHIWHIGQRHFG-AWEZNQCLSA-N 1 3 297.399 -0.407 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3[NH3+])C2)nn1 ZINC001549031966 923526531 /nfs/dbraw/zinc/52/65/31/923526531.db2.gz DXXVRCNENBEMJX-GMTAPVOTSA-N 1 3 264.333 -0.753 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549045917 923539505 /nfs/dbraw/zinc/53/95/05/923539505.db2.gz WIBKVVLGTYEGCG-NEPJUHHUSA-N 1 3 277.324 -0.170 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047133 923542004 /nfs/dbraw/zinc/54/20/04/923542004.db2.gz KXPALBGCJDHOAN-JQWIXIFHSA-N 1 3 280.376 -0.244 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047550 923543069 /nfs/dbraw/zinc/54/30/69/923543069.db2.gz RKGGGIHSZVLMKF-WCFLWFBJSA-N 1 3 292.387 -0.102 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047549 923544914 /nfs/dbraw/zinc/54/49/14/923544914.db2.gz RKGGGIHSZVLMKF-UHTWSYAYSA-N 1 3 292.387 -0.102 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[NH2+]C3)C2)nn1 ZINC001549047620 923544984 /nfs/dbraw/zinc/54/49/84/923544984.db2.gz UYMGAERWNFSZEM-CMPLNLGQSA-N 1 3 278.360 -0.490 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@H]2[NH3+])cn1 ZINC001549049069 923548139 /nfs/dbraw/zinc/54/81/39/923548139.db2.gz CEFUBGQKEWZBQF-FRRDWIJNSA-N 1 3 293.371 -0.948 20 0 CBADHO CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCN(C)C1 ZINC001549211094 923569537 /nfs/dbraw/zinc/56/95/37/923569537.db2.gz TYTYDBMYBDJQGU-RYUDHWBXSA-N 1 3 270.377 -0.290 20 0 CBADHO N[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@@H]1F ZINC001549212369 923571745 /nfs/dbraw/zinc/57/17/45/923571745.db2.gz CUBCPYKSXHBAEJ-MBPTXSFVSA-N 1 3 256.325 -0.181 20 0 CBADHO C[C@H](N)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549725790 923630078 /nfs/dbraw/zinc/63/00/78/923630078.db2.gz DGAMGAHFFIDZGE-VHSXEESVSA-N 1 3 263.345 -0.418 20 0 CBADHO C[C@@H](N)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549725791 923630395 /nfs/dbraw/zinc/63/03/95/923630395.db2.gz DGAMGAHFFIDZGE-ZJUUUORDSA-N 1 3 263.345 -0.418 20 0 CBADHO CC[C@H](N)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728984 923632300 /nfs/dbraw/zinc/63/23/00/923632300.db2.gz WNAHJTSWDWUXDA-DMDPSCGWSA-N 1 3 282.388 -0.513 20 0 CBADHO O=C(C[C@@H]1CNCCO1)Nc1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001549747153 923637834 /nfs/dbraw/zinc/63/78/34/923637834.db2.gz RLOKYBTVCLVTCJ-NXEZZACHSA-N 1 3 279.344 -0.196 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084553 923668678 /nfs/dbraw/zinc/66/86/78/923668678.db2.gz FAVGPDDJIUAYHQ-WCQYABFASA-N 1 3 296.415 -0.408 20 0 CBADHO CC(C)(C)[C@@H](N)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087482 923672881 /nfs/dbraw/zinc/67/28/81/923672881.db2.gz VOJQEIRJVFXLHA-QWRGUYRKSA-N 1 3 280.376 -0.198 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096310 923677505 /nfs/dbraw/zinc/67/75/05/923677505.db2.gz KFUPHUPMZHNLDA-MVWJERBFSA-N 1 3 278.360 -0.492 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550095244 923678191 /nfs/dbraw/zinc/67/81/91/923678191.db2.gz HRRZWJNLPGJFDQ-DGCLKSJQSA-N 1 3 292.387 -0.148 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550095244 923678203 /nfs/dbraw/zinc/67/82/03/923678203.db2.gz HRRZWJNLPGJFDQ-DGCLKSJQSA-N 1 3 292.387 -0.148 20 0 CBADHO C[C@@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550097327 923681530 /nfs/dbraw/zinc/68/15/30/923681530.db2.gz KMWUUMXIAKKUTH-DGCLKSJQSA-N 1 3 278.360 -0.490 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550122406 923695307 /nfs/dbraw/zinc/69/53/07/923695307.db2.gz GDUALWWLFOFSFZ-RMRHIDDWSA-N 1 3 279.384 -0.083 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550183297 923704941 /nfs/dbraw/zinc/70/49/41/923704941.db2.gz MNQXECMNPWKKNL-YNEHKIRRSA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@H](CN)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001550188684 923706968 /nfs/dbraw/zinc/70/69/68/923706968.db2.gz LHFHRZJAGVYSCE-CYBMUJFWSA-N 1 3 263.341 -0.078 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550188414 923707370 /nfs/dbraw/zinc/70/73/70/923707370.db2.gz WQXYEANEWHEMLG-VXGBXAGGSA-N 1 3 292.387 -0.244 20 0 CBADHO N[C@@H](CC1CC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550190372 923710436 /nfs/dbraw/zinc/71/04/36/923710436.db2.gz UPQMRKDGQUMFGD-NEPJUHHUSA-N 1 3 278.360 -0.444 20 0 CBADHO CC[C@@H]1NCCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC001550474936 923731114 /nfs/dbraw/zinc/73/11/14/923731114.db2.gz WFEUCWJDPDPDDR-KCQAQPDRSA-N 1 3 297.399 -0.266 20 0 CBADHO [NH3+][C@H]1C[C@@H](N2CC[C@@H](CN3CCCC3=O)C2)[C@@H](O)C1 ZINC001550437273 923731558 /nfs/dbraw/zinc/73/15/58/923731558.db2.gz VSCCWHRVVNAGJN-XQHKEYJVSA-N 1 3 267.373 -0.219 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCNC[C@@H](O)C1 ZINC001551485278 923798996 /nfs/dbraw/zinc/79/89/96/923798996.db2.gz DIYNPOZSZXZESQ-KWCYVHTRSA-N 1 3 290.367 -0.413 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551586868 923805344 /nfs/dbraw/zinc/80/53/44/923805344.db2.gz ITIZFKMOIVAEII-KTEZZQQRSA-N 1 3 282.388 -0.114 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCN1 ZINC001552164433 923846017 /nfs/dbraw/zinc/84/60/17/923846017.db2.gz USEITGLLDXYIDA-RYUDHWBXSA-N 1 3 292.387 -0.118 20 0 CBADHO O=C(NCCN1CCCCC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199473 923855469 /nfs/dbraw/zinc/85/54/69/923855469.db2.gz GEGTVIDYJZQSNP-GXTWGEPZSA-N 1 3 267.373 -0.176 20 0 CBADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202506 923863298 /nfs/dbraw/zinc/86/32/98/923863298.db2.gz HKZAHWPXMFEJLN-XHDPSFHLSA-N 1 3 288.351 -0.098 20 0 CBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552215183 923869387 /nfs/dbraw/zinc/86/93/87/923869387.db2.gz DWRCJXUGEYIVQW-TZMCWYRMSA-N 1 3 297.399 -0.408 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[NH2+]CC2)n1 ZINC001552215173 923869684 /nfs/dbraw/zinc/86/96/84/923869684.db2.gz DPGKNLNLZPVPQC-VIFPVBQESA-N 1 3 279.344 -0.353 20 0 CBADHO Cc1c(CN)c(NC(=O)[C@H]2C[NH2+]CCOC2)nn1C ZINC001552216926 923872278 /nfs/dbraw/zinc/87/22/78/923872278.db2.gz AGSVCSMYJQRBQA-VIFPVBQESA-N 1 3 267.333 -0.638 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377199 923892672 /nfs/dbraw/zinc/89/26/72/923892672.db2.gz ZBPKVWIATWNPAT-GRYCIOLGSA-N 1 3 280.372 -0.854 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)c2cccc3c2CNC3)C[C@@H]1n1ccnn1 ZINC001552678961 923913820 /nfs/dbraw/zinc/91/38/20/923913820.db2.gz AKIDORJUORBOMN-KGLIPLIRSA-N 1 3 298.350 -0.094 20 0 CBADHO CC(C)(O)CN1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC001553026065 923935251 /nfs/dbraw/zinc/93/52/51/923935251.db2.gz LMTMDNYEAJJBNJ-NEPJUHHUSA-N 1 3 257.378 -0.590 20 0 CBADHO N[C@@H]1C[C@H]2CN(C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304956 923946276 /nfs/dbraw/zinc/94/62/76/923946276.db2.gz QHHBLJPCFDTVBN-RWMBFGLXSA-N 1 3 266.389 -0.380 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)c1cnc([C@@H]2CCCN2)nc1 ZINC001553349841 923953096 /nfs/dbraw/zinc/95/30/96/923953096.db2.gz DLFRZXUOPZATOM-QWRGUYRKSA-N 1 3 261.329 -0.007 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)c1cnc([C@H]2CCCN2)nc1 ZINC001553349838 923953972 /nfs/dbraw/zinc/95/39/72/923953972.db2.gz DLFRZXUOPZATOM-GHMZBOCLSA-N 1 3 261.329 -0.007 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)CCN1 ZINC001553353523 923957169 /nfs/dbraw/zinc/95/71/69/923957169.db2.gz GAPFUADVAKGKSG-DYEKYZERSA-N 1 3 266.389 -0.652 20 0 CBADHO O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC001553404609 923977662 /nfs/dbraw/zinc/97/76/62/923977662.db2.gz AWUSKIYRIQOWQR-RNJOBUHISA-N 1 3 265.357 -0.188 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553407114 923979549 /nfs/dbraw/zinc/97/95/49/923979549.db2.gz GUHNONVEMYDCFU-NOOOWODRSA-N 1 3 253.346 -0.284 20 0 CBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@H]1F ZINC001553406292 923981543 /nfs/dbraw/zinc/98/15/43/923981543.db2.gz DOMDQNZWQCCNCR-UVOCVTCTSA-N 1 3 257.309 -0.597 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553408990 923984028 /nfs/dbraw/zinc/98/40/28/923984028.db2.gz KLQWPIMCEBBGNJ-MROQNXINSA-N 1 3 283.372 -0.705 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412124 923988170 /nfs/dbraw/zinc/98/81/70/923988170.db2.gz TWIQDPHNWOKRON-RDBSUJKOSA-N 1 3 296.415 -0.741 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCN1C ZINC001553429288 923995425 /nfs/dbraw/zinc/99/54/25/923995425.db2.gz JYVXALIUESVIDK-PZWNZHSQSA-N 1 3 253.346 -0.285 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553498336 924012100 /nfs/dbraw/zinc/01/21/00/924012100.db2.gz TXRVQEFKUGCGBD-FRRDWIJNSA-N 1 3 284.404 -0.036 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553500772 924013239 /nfs/dbraw/zinc/01/32/39/924013239.db2.gz GZSACTSGUOPQSM-RVMXOQNASA-N 1 3 284.404 -0.037 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553506311 924016018 /nfs/dbraw/zinc/01/60/18/924016018.db2.gz UVKDATSMVYKMGP-NTZNESFSSA-N 1 3 268.361 -0.584 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553501561 924016812 /nfs/dbraw/zinc/01/68/12/924016812.db2.gz GFCYVPDNCSSOGX-BFHYXJOUSA-N 1 3 296.415 -0.021 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553510563 924020793 /nfs/dbraw/zinc/02/07/93/924020793.db2.gz QNVRVKACHWPFPS-XQQFMLRXSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553527100 924026026 /nfs/dbraw/zinc/02/60/26/924026026.db2.gz JJXZOFVSMIBBPY-XJFOESAGSA-N 1 3 296.415 -0.165 20 0 CBADHO [NH3+]C1CC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553559076 924032756 /nfs/dbraw/zinc/03/27/56/924032756.db2.gz UZXUOKBMCMZDSG-FIYWTHMPSA-N 1 3 282.388 -0.283 20 0 CBADHO CN(C[C@H](O)C[NH2+]CCN1CCCOCC1)C1CC1 ZINC000576393177 335197551 /nfs/dbraw/zinc/19/75/51/335197551.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@H+](C[C@@H](O)CNCCN1CCCOCC1)C1CC1 ZINC000576393176 335197574 /nfs/dbraw/zinc/19/75/74/335197574.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCCN1CCCOCC1)C1CC1 ZINC000576393176 335197575 /nfs/dbraw/zinc/19/75/75/335197575.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 1 3 271.405 -0.247 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CCN1CCCOCC1)C1CC1 ZINC000576393176 335197576 /nfs/dbraw/zinc/19/75/76/335197576.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@H+](C[C@H](O)CNCCN1CCCOCC1)C1CC1 ZINC000576393177 335197549 /nfs/dbraw/zinc/19/75/49/335197549.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@@H+](C[C@H](O)CNCCN1CCCOCC1)C1CC1 ZINC000576393177 335197550 /nfs/dbraw/zinc/19/75/50/335197550.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 1 3 271.405 -0.247 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@@H]1[NH+](C)C ZINC000124718300 187150650 /nfs/dbraw/zinc/15/06/50/187150650.db2.gz IVPBLLOWFNAMES-NEPJUHHUSA-N 1 3 282.388 -0.783 20 0 CBADHO C[C@H](CNC(=O)NCCN1CCC1)C[NH+]1CCN(C)CC1 ZINC000337657068 214200201 /nfs/dbraw/zinc/20/02/01/214200201.db2.gz NXIVVKCGQWVYSQ-CQSZACIVSA-N 1 3 297.447 -0.125 20 0 CBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000337710183 282129783 /nfs/dbraw/zinc/12/97/83/282129783.db2.gz BEOHJOMJRVQVSE-RISCZKNCSA-N 1 3 284.404 -0.165 20 0 CBADHO COCCC[N@@H+]1CCCN(C(=O)CNCCOC)CC1 ZINC000378204393 230313006 /nfs/dbraw/zinc/31/30/06/230313006.db2.gz UWUVAOPWJYJWIE-UHFFFAOYSA-N 1 3 287.404 -0.207 20 0 CBADHO COCCC[N@H+]1CCCN(C(=O)CNCCOC)CC1 ZINC000378204393 230313008 /nfs/dbraw/zinc/31/30/08/230313008.db2.gz UWUVAOPWJYJWIE-UHFFFAOYSA-N 1 3 287.404 -0.207 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354722121 282183298 /nfs/dbraw/zinc/18/32/98/282183298.db2.gz WTCBQUAZMPTNHY-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000126157824 187220533 /nfs/dbraw/zinc/22/05/33/187220533.db2.gz ORONOCFJMPWQLC-AWEZNQCLSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000126211680 187224821 /nfs/dbraw/zinc/22/48/21/187224821.db2.gz CTTNANXIILJMLO-ZDUSSCGKSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000126467710 187242600 /nfs/dbraw/zinc/24/26/00/187242600.db2.gz YEUSJNZYOABPKX-MDZLAQPJSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000126467710 187242602 /nfs/dbraw/zinc/24/26/02/187242602.db2.gz YEUSJNZYOABPKX-MDZLAQPJSA-N 1 3 284.404 -0.315 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000040808751 529770978 /nfs/dbraw/zinc/77/09/78/529770978.db2.gz GNTQRJNDLRSESO-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(C2CC2)C1 ZINC000351515875 219111329 /nfs/dbraw/zinc/11/13/29/219111329.db2.gz DCZACLWHIQSAAY-JQWIXIFHSA-N 1 3 280.372 -0.793 20 0 CBADHO C[C@@H]1CCCCN1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535225 219117796 /nfs/dbraw/zinc/11/77/96/219117796.db2.gz DPBKMQWNIJGLFZ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCN1CCCCC1 ZINC000351537559 219119185 /nfs/dbraw/zinc/11/91/85/219119185.db2.gz PVXFOXMHESCNJV-GFCCVEGCSA-N 1 3 282.388 -0.543 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351541010 219120053 /nfs/dbraw/zinc/12/00/53/219120053.db2.gz PAJYJBXDJROKBG-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000351545324 219120405 /nfs/dbraw/zinc/12/04/05/219120405.db2.gz WSHBHHHGCKVNER-QWHCGFSZSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000351556826 219125536 /nfs/dbraw/zinc/12/55/36/219125536.db2.gz HNAWCGKZSBPABA-WOPDTQHZSA-N 1 3 282.388 -0.547 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351567716 219128727 /nfs/dbraw/zinc/12/87/27/219128727.db2.gz MKFJVZLTLHRFRX-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423592096 290722464 /nfs/dbraw/zinc/72/24/64/290722464.db2.gz DCECCMQLHTUOQJ-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO C[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367148951 530050281 /nfs/dbraw/zinc/05/02/81/530050281.db2.gz OUKQXCSPNCODNJ-CYBMUJFWSA-N 1 3 266.389 -0.413 20 0 CBADHO C[C@@H](CO)N1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351630069 219154076 /nfs/dbraw/zinc/15/40/76/219154076.db2.gz QVCDQKZTOCZTPT-DZGCQCFKSA-N 1 3 285.432 -0.170 20 0 CBADHO C[C@@H](CO)N1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351630069 219154078 /nfs/dbraw/zinc/15/40/78/219154078.db2.gz QVCDQKZTOCZTPT-DZGCQCFKSA-N 1 3 285.432 -0.170 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000573684881 334957658 /nfs/dbraw/zinc/95/76/58/334957658.db2.gz PXLZZELUGDCNOT-CABZTGNLSA-N 1 3 257.334 -0.490 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000517938220 260321964 /nfs/dbraw/zinc/32/19/64/260321964.db2.gz BMSFDHCRJCHSKW-GHMZBOCLSA-N 1 3 269.345 -0.380 20 0 CBADHO C[C@H]1CN(CCCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430718665 290844000 /nfs/dbraw/zinc/84/40/00/290844000.db2.gz YACQFOBWHWDBLX-STQMWFEESA-N 1 3 299.415 -0.020 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000351996817 219281737 /nfs/dbraw/zinc/28/17/37/219281737.db2.gz VRDMTKQJBPDWNT-CMPLNLGQSA-N 1 3 272.393 -0.425 20 0 CBADHO CCC(CC)(C[NH3+])NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000351994422 219282644 /nfs/dbraw/zinc/28/26/44/219282644.db2.gz MTXNSJYOMMPGSK-NSHDSACASA-N 1 3 272.393 -0.280 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000339573844 215249761 /nfs/dbraw/zinc/24/97/61/215249761.db2.gz GBASAEKTMPPZEU-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000339637231 215283327 /nfs/dbraw/zinc/28/33/27/215283327.db2.gz QOKNEODLMNBDLP-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO COCCN(C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311805 180132622 /nfs/dbraw/zinc/13/26/22/180132622.db2.gz INKXOSMPRAJILO-NSHDSACASA-N 1 3 259.350 -0.941 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000091313341 180132650 /nfs/dbraw/zinc/13/26/50/180132650.db2.gz YFNZOAYAKFQXHZ-NWDGAFQWSA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000091313343 180132781 /nfs/dbraw/zinc/13/27/81/180132781.db2.gz YFNZOAYAKFQXHZ-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@H+](CCNC(=O)CNC(=O)[C@H](N)C(C)C)C(C)C ZINC000352086571 219314886 /nfs/dbraw/zinc/31/48/86/219314886.db2.gz FBQQFEGBWIALLW-CYBMUJFWSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[N@@H+](CCNC(=O)CNC(=O)[C@H](N)C(C)C)C(C)C ZINC000352086571 219314887 /nfs/dbraw/zinc/31/48/87/219314887.db2.gz FBQQFEGBWIALLW-CYBMUJFWSA-N 1 3 286.420 -0.068 20 0 CBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000062973504 282672495 /nfs/dbraw/zinc/67/24/95/282672495.db2.gz CJKWUIOLBDGFKV-RWMBFGLXSA-N 1 3 267.373 -0.204 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccon1 ZINC000130575558 282709765 /nfs/dbraw/zinc/70/97/65/282709765.db2.gz VEUPTZJPAJISJJ-UHFFFAOYSA-N 1 3 297.359 -0.435 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000573842899 334971047 /nfs/dbraw/zinc/97/10/47/334971047.db2.gz CFKJCBLCXFUZPI-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO C[NH2+]CCC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000070189764 351637088 /nfs/dbraw/zinc/63/70/88/351637088.db2.gz BTGOZCHWWCCYQP-UHFFFAOYSA-N 1 3 268.361 -0.140 20 0 CBADHO COCCN1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091301475 351743221 /nfs/dbraw/zinc/74/32/21/351743221.db2.gz FLWFLLXKCMAQCY-CYBMUJFWSA-N 1 3 285.388 -0.454 20 0 CBADHO C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091311236 351743841 /nfs/dbraw/zinc/74/38/41/351743841.db2.gz WQWKYKUUBAFXGT-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091311236 351743848 /nfs/dbraw/zinc/74/38/48/351743848.db2.gz WQWKYKUUBAFXGT-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000091311833 351743955 /nfs/dbraw/zinc/74/39/55/351743955.db2.gz HQQVVIXIJQRQFM-RYUDHWBXSA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000092137571 351748613 /nfs/dbraw/zinc/74/86/13/351748613.db2.gz ORVOPKSZSDOTDX-QJPTWQEYSA-N 1 3 255.362 -0.179 20 0 CBADHO CSCC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083441359 351714933 /nfs/dbraw/zinc/71/49/33/351714933.db2.gz DOLDCTFILSJMOB-SNVBAGLBSA-N 1 3 260.407 -0.912 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)O1 ZINC000094573152 351764086 /nfs/dbraw/zinc/76/40/86/351764086.db2.gz XRTGPLKHNBNGAT-RNJOBUHISA-N 1 3 283.372 -0.528 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)O1 ZINC000094573149 351764497 /nfs/dbraw/zinc/76/44/97/351764497.db2.gz XRTGPLKHNBNGAT-LPWJVIDDSA-N 1 3 283.372 -0.528 20 0 CBADHO CN(CCC(=O)NC(N)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000118843683 351830205 /nfs/dbraw/zinc/83/02/05/351830205.db2.gz JPDKQVQZNOGCSB-JTQLQIEISA-N 1 3 256.350 -0.155 20 0 CBADHO CN(CCC(=O)NC(N)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843683 351830207 /nfs/dbraw/zinc/83/02/07/351830207.db2.gz JPDKQVQZNOGCSB-JTQLQIEISA-N 1 3 256.350 -0.155 20 0 CBADHO CC(=O)N[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000112904031 351811125 /nfs/dbraw/zinc/81/11/25/351811125.db2.gz XKECNRMJKHUROT-LLVKDONJSA-N 1 3 272.393 -0.537 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152755484 351940081 /nfs/dbraw/zinc/94/00/81/351940081.db2.gz VJOIJVLVHIQBEQ-NWDGAFQWSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1C(=O)CNC1=O ZINC000133631703 351901405 /nfs/dbraw/zinc/90/14/05/351901405.db2.gz ZIOYTLQMVWUTDU-VWYCJHECSA-N 1 3 268.361 -0.144 20 0 CBADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1C(=O)CNC1=O ZINC000133631703 351901408 /nfs/dbraw/zinc/90/14/08/351901408.db2.gz ZIOYTLQMVWUTDU-VWYCJHECSA-N 1 3 268.361 -0.144 20 0 CBADHO CN1CCN(C(=O)CCC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000154530251 351946689 /nfs/dbraw/zinc/94/66/89/351946689.db2.gz SOFZXLKJGCMHPX-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000171202284 352009491 /nfs/dbraw/zinc/00/94/91/352009491.db2.gz ALQDHCOQMZPTRQ-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000171202284 352009494 /nfs/dbraw/zinc/00/94/94/352009494.db2.gz ALQDHCOQMZPTRQ-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000157308805 351955483 /nfs/dbraw/zinc/95/54/83/351955483.db2.gz XLYYMNIGQORCQE-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000157308805 351955486 /nfs/dbraw/zinc/95/54/86/351955486.db2.gz XLYYMNIGQORCQE-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158919882 351959910 /nfs/dbraw/zinc/95/99/10/351959910.db2.gz ZJTVMXBSPSLQSI-OCCSQVGLSA-N 1 3 267.373 -0.033 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000167404715 351989729 /nfs/dbraw/zinc/98/97/29/351989729.db2.gz AWIKAEDTWUDDCG-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO C[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167410161 351989748 /nfs/dbraw/zinc/98/97/48/351989748.db2.gz PJSSIDCAGCIGIA-NSHDSACASA-N 1 3 268.361 -0.900 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178874193 352084804 /nfs/dbraw/zinc/08/48/04/352084804.db2.gz LWDUUOVQNHZRDF-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286380 352150845 /nfs/dbraw/zinc/15/08/45/352150845.db2.gz NPUIOIFBDMZTIS-SMDDNHRTSA-N 1 3 287.404 -0.129 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796336 352159634 /nfs/dbraw/zinc/15/96/34/352159634.db2.gz CLCDCLLGXXRMDH-RWMBFGLXSA-N 1 3 286.395 -0.171 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188914124 352160923 /nfs/dbraw/zinc/16/09/23/352160923.db2.gz KZKABVCWEKYMKP-QWHCGFSZSA-N 1 3 286.395 -0.218 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000227373487 352257390 /nfs/dbraw/zinc/25/73/90/352257390.db2.gz XFTWGCZRGYWHIY-QWHCGFSZSA-N 1 3 286.420 -0.652 20 0 CBADHO C[C@@H]1C[C@H](NC[C@@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000226876904 352254827 /nfs/dbraw/zinc/25/48/27/352254827.db2.gz ZWPSUAYSIDXIRF-MGPQQGTHSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H]1C[C@H](NC[C@@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000226876904 352254830 /nfs/dbraw/zinc/25/48/30/352254830.db2.gz ZWPSUAYSIDXIRF-MGPQQGTHSA-N 1 3 271.405 -0.248 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236844878 352294648 /nfs/dbraw/zinc/29/46/48/352294648.db2.gz QLKKLDLBMTZGBD-CYBMUJFWSA-N 1 3 270.421 -0.014 20 0 CBADHO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000236919969 352295991 /nfs/dbraw/zinc/29/59/91/352295991.db2.gz KJZOXAWUTFKZMR-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236888494 352296408 /nfs/dbraw/zinc/29/64/08/352296408.db2.gz XWZFWESQSYKJJZ-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000237137895 352299584 /nfs/dbraw/zinc/29/95/84/352299584.db2.gz TVKALNYNSVJGJU-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC1=O ZINC000237160693 352300751 /nfs/dbraw/zinc/30/07/51/352300751.db2.gz IDWCOHFDXRMCAV-NWDGAFQWSA-N 1 3 282.388 -0.750 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000237227149 352302587 /nfs/dbraw/zinc/30/25/87/352302587.db2.gz NTVGCZTXUQKSRJ-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237554511 352307090 /nfs/dbraw/zinc/30/70/90/352307090.db2.gz WDOBPCKZXKCPKC-GHMZBOCLSA-N 1 3 270.377 -0.893 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000261889878 352399590 /nfs/dbraw/zinc/39/95/90/352399590.db2.gz VFIPRVQYAMSXDE-FRRDWIJNSA-N 1 3 296.415 -0.408 20 0 CBADHO C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250650847 352373191 /nfs/dbraw/zinc/37/31/91/352373191.db2.gz WQWKYKUUBAFXGT-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250650847 352373193 /nfs/dbraw/zinc/37/31/93/352373193.db2.gz WQWKYKUUBAFXGT-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COC1(C(=O)NC[C@@H]2CCCN2C)CC[NH2+]CC1 ZINC000261577402 352389013 /nfs/dbraw/zinc/38/90/13/352389013.db2.gz OGWHWFOGKCBKMN-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@]1(C[NH3+])CCN(CCC(=O)N2CCOCC2)C1 ZINC000261726767 352394036 /nfs/dbraw/zinc/39/40/36/352394036.db2.gz JSBZFBVBWPILAB-CYBMUJFWSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@]1(CN)CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726767 352394041 /nfs/dbraw/zinc/39/40/41/352394041.db2.gz JSBZFBVBWPILAB-CYBMUJFWSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726767 352394044 /nfs/dbraw/zinc/39/40/44/352394044.db2.gz JSBZFBVBWPILAB-CYBMUJFWSA-N 1 3 255.362 -0.094 20 0 CBADHO O=C(CCN1CC[NH+](C2CCC2)CC1)N1CCNCC1 ZINC000262208748 352410413 /nfs/dbraw/zinc/41/04/13/352410413.db2.gz LKCRRIOQRURFPI-UHFFFAOYSA-N 1 3 280.416 -0.022 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCC(C)CC1 ZINC000262444471 352421178 /nfs/dbraw/zinc/42/11/78/352421178.db2.gz TXVJUBHOHHBLEM-FRRDWIJNSA-N 1 3 269.389 -0.054 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000262438540 352421326 /nfs/dbraw/zinc/42/13/26/352421326.db2.gz GXTMRBNPAMTRTM-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(C)CC1 ZINC000262444482 352421368 /nfs/dbraw/zinc/42/13/68/352421368.db2.gz TXVJUBHOHHBLEM-UPJWGTAASA-N 1 3 269.389 -0.054 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000262525596 352425702 /nfs/dbraw/zinc/42/57/02/352425702.db2.gz KTCUPYWOPGGNEL-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000263226934 352439890 /nfs/dbraw/zinc/43/98/90/352439890.db2.gz GSWMGCNXKOQNCA-JSGCOSHPSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000263226934 352439896 /nfs/dbraw/zinc/43/98/96/352439896.db2.gz GSWMGCNXKOQNCA-JSGCOSHPSA-N 1 3 298.431 -0.066 20 0 CBADHO [NH3+]C[C@H]1CCCCN1CCC(=O)N1CCNCC1 ZINC000262097021 352407319 /nfs/dbraw/zinc/40/73/19/352407319.db2.gz LTESEGWOJCADSS-GFCCVEGCSA-N 1 3 254.378 -0.379 20 0 CBADHO CN(C)CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000286300612 352641772 /nfs/dbraw/zinc/64/17/72/352641772.db2.gz XLXMTJNXEWVQJY-UHFFFAOYSA-N 1 3 265.361 -0.360 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000300698103 352734375 /nfs/dbraw/zinc/73/43/75/352734375.db2.gz ULQBURJLSDKKHO-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000300698103 352734376 /nfs/dbraw/zinc/73/43/76/352734376.db2.gz ULQBURJLSDKKHO-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO COCC[N@H+](C)C[C@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000312676943 352775722 /nfs/dbraw/zinc/77/57/22/352775722.db2.gz CJAMOGOUJJZOJR-WCQYABFASA-N 1 3 285.392 -0.127 20 0 CBADHO COCC[N@@H+](C)C[C@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000312676943 352775726 /nfs/dbraw/zinc/77/57/26/352775726.db2.gz CJAMOGOUJJZOJR-WCQYABFASA-N 1 3 285.392 -0.127 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)CNC2CC2)CC1 ZINC000305814384 352750565 /nfs/dbraw/zinc/75/05/65/352750565.db2.gz JJZMAHMBZVTUJP-CYBMUJFWSA-N 1 3 269.389 -0.053 20 0 CBADHO CC(C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)S(C)(=O)=O ZINC000310094926 352756762 /nfs/dbraw/zinc/75/67/62/352756762.db2.gz ULWNRHWRSDEACP-WCABBAIRSA-N 1 3 262.375 -0.137 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310401122 352759242 /nfs/dbraw/zinc/75/92/42/352759242.db2.gz UNCBBFZNYRMQTD-QMMMGPOBSA-N 1 3 253.293 -0.337 20 0 CBADHO COC[C@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000311767613 352770052 /nfs/dbraw/zinc/77/00/52/352770052.db2.gz VQPLVQPZDAGIBF-RISCZKNCSA-N 1 3 267.373 -0.035 20 0 CBADHO Cn1c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(=O)n(C)c1=O ZINC000314818410 352780234 /nfs/dbraw/zinc/78/02/34/352780234.db2.gz VVTUJSFLWHJCDG-TXEJJXNPSA-N 1 3 292.383 -0.485 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332082507 352934864 /nfs/dbraw/zinc/93/48/64/352934864.db2.gz BABVXQONUWTHLU-RWMBFGLXSA-N 1 3 294.399 -0.463 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000331503649 352919969 /nfs/dbraw/zinc/91/99/69/352919969.db2.gz SLOUMKIVZZUBGI-STQMWFEESA-N 1 3 296.415 -0.265 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332638943 352971589 /nfs/dbraw/zinc/97/15/89/352971589.db2.gz KYLZXTYENVFJSF-CHWSQXEVSA-N 1 3 294.399 -0.497 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332638945 352971888 /nfs/dbraw/zinc/97/18/88/352971888.db2.gz KYLZXTYENVFJSF-OLZOCXBDSA-N 1 3 294.399 -0.497 20 0 CBADHO CN(C)[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137474 352937614 /nfs/dbraw/zinc/93/76/14/352937614.db2.gz LLJDNHKYHGDQKJ-RYUDHWBXSA-N 1 3 292.387 -0.021 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)N1CCN2CCC[C@H]2C1 ZINC000333814279 353011997 /nfs/dbraw/zinc/01/19/97/353011997.db2.gz JXDMWVZWDXIOQT-ZDUSSCGKSA-N 1 3 281.404 -0.619 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000333857890 353012523 /nfs/dbraw/zinc/01/25/23/353012523.db2.gz RJEUOUNQGHNSBZ-AWEZNQCLSA-N 1 3 297.447 -0.125 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333949257 353014472 /nfs/dbraw/zinc/01/44/72/353014472.db2.gz XCDORWGQNQCLDR-ZIAGYGMSSA-N 1 3 295.431 -0.230 20 0 CBADHO C[N@H+](CCCN1CCCC1)CCC(=O)NC(N)=O ZINC000337222714 353079857 /nfs/dbraw/zinc/07/98/57/353079857.db2.gz FTOGNTBTDRJOLS-UHFFFAOYSA-N 1 3 256.350 -0.011 20 0 CBADHO C[N@@H+](CCCN1CCCC1)CCC(=O)NC(N)=O ZINC000337222714 353079858 /nfs/dbraw/zinc/07/98/58/353079858.db2.gz FTOGNTBTDRJOLS-UHFFFAOYSA-N 1 3 256.350 -0.011 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339635219 353135684 /nfs/dbraw/zinc/13/56/84/353135684.db2.gz SJJSJGOZEUHVNV-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]([NH3+])CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000340184495 353154912 /nfs/dbraw/zinc/15/49/12/353154912.db2.gz MIECAGGNDWXRKE-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000340185248 353155013 /nfs/dbraw/zinc/15/50/13/353155013.db2.gz JTDXMVVMVCYYHJ-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000340690706 353182844 /nfs/dbraw/zinc/18/28/44/353182844.db2.gz QMXPPYYIYXKUCV-ZDUSSCGKSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C[NH+](C)C ZINC000341230067 353206211 /nfs/dbraw/zinc/20/62/11/353206211.db2.gz OZMQEJVBKGZJRN-STQMWFEESA-N 1 3 298.431 -0.290 20 0 CBADHO C[C@@H](CC(=O)N(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000341277667 353207678 /nfs/dbraw/zinc/20/76/78/353207678.db2.gz MKVYHOILRVJTTN-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000342765444 353231687 /nfs/dbraw/zinc/23/16/87/353231687.db2.gz OJZPACZCIJZMMJ-TUAOUCFPSA-N 1 3 283.372 -0.038 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000342765444 353231691 /nfs/dbraw/zinc/23/16/91/353231691.db2.gz OJZPACZCIJZMMJ-TUAOUCFPSA-N 1 3 283.372 -0.038 20 0 CBADHO CC[N@H+](CCNC(=O)[C@H](N)CCC(=O)OC)C1CC1 ZINC000342767008 353231756 /nfs/dbraw/zinc/23/17/56/353231756.db2.gz ZQDVKAPTYHUQCO-LLVKDONJSA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@@H+](CCNC(=O)[C@H](N)CCC(=O)OC)C1CC1 ZINC000342767008 353231759 /nfs/dbraw/zinc/23/17/59/353231759.db2.gz ZQDVKAPTYHUQCO-LLVKDONJSA-N 1 3 271.361 -0.133 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000342761563 353231772 /nfs/dbraw/zinc/23/17/72/353231772.db2.gz XOTBDRPEGKLZDH-LBPRGKRZSA-N 1 3 269.389 -0.051 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000342689275 353228312 /nfs/dbraw/zinc/22/83/12/353228312.db2.gz DGMOZFIJHUYKEL-SECBINFHSA-N 1 3 259.350 -0.277 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342695932 353228318 /nfs/dbraw/zinc/22/83/18/353228318.db2.gz GXMHMZMXYLDZHK-WDEREUQCSA-N 1 3 287.360 -0.896 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000342736214 353230555 /nfs/dbraw/zinc/23/05/55/353230555.db2.gz MUQJAOTXUAIZIS-VHSXEESVSA-N 1 3 259.350 -0.277 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343485579 353274842 /nfs/dbraw/zinc/27/48/42/353274842.db2.gz RXSLIGMSBSCBTC-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343260450 353262143 /nfs/dbraw/zinc/26/21/43/353262143.db2.gz JKQURACCIKHWPC-AWEZNQCLSA-N 1 3 280.416 -0.070 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588988 353280451 /nfs/dbraw/zinc/28/04/51/353280451.db2.gz SGFZSNABGRVCQP-ZIAGYGMSSA-N 1 3 296.415 -0.787 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588988 353280452 /nfs/dbraw/zinc/28/04/52/353280452.db2.gz SGFZSNABGRVCQP-ZIAGYGMSSA-N 1 3 296.415 -0.787 20 0 CBADHO C[C@@H](C(=O)NCCCN1CCN(C)CC1)[C@H](C)[NH3+] ZINC000156752561 188280004 /nfs/dbraw/zinc/28/00/04/188280004.db2.gz NOZYZSMMIIIDEG-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO CCN1CCN(CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348990735 353443203 /nfs/dbraw/zinc/44/32/03/353443203.db2.gz FRRHORWAAUFSDQ-UHFFFAOYSA-N 1 3 284.404 -0.881 20 0 CBADHO C[C@H]1C[C@H](NC(=O)CCOC2CNC2)CC[N@@H+]1C ZINC000348988513 353443462 /nfs/dbraw/zinc/44/34/62/353443462.db2.gz HXODRRVWEKSSTK-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H]1C[C@H](NC(=O)CCOC2CNC2)CC[N@H+]1C ZINC000348988513 353443464 /nfs/dbraw/zinc/44/34/64/353443464.db2.gz HXODRRVWEKSSTK-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CCN(CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006152 353444600 /nfs/dbraw/zinc/44/46/00/353444600.db2.gz SYLLJGFPGPHHOG-UHFFFAOYSA-N 1 3 284.404 -0.881 20 0 CBADHO C[C@H](CNC(=O)CCOC1CNC1)[N@H+](C)C1CC1 ZINC000349030832 353445414 /nfs/dbraw/zinc/44/54/14/353445414.db2.gz SZKZATMUJJOARM-SNVBAGLBSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](CNC(=O)CCOC1CNC1)[N@@H+](C)C1CC1 ZINC000349030832 353445415 /nfs/dbraw/zinc/44/54/15/353445415.db2.gz SZKZATMUJJOARM-SNVBAGLBSA-N 1 3 255.362 -0.036 20 0 CBADHO CN(C[C@@H](O)C[N@H+](C)C1CCN(CCO)CC1)C1CC1 ZINC000351494275 353474978 /nfs/dbraw/zinc/47/49/78/353474978.db2.gz XVZIPEUWPWWTOJ-OAHLLOKOSA-N 1 3 285.432 -0.170 20 0 CBADHO CN(C[C@@H](O)C[N@@H+](C)C1CCN(CCO)CC1)C1CC1 ZINC000351494275 353474982 /nfs/dbraw/zinc/47/49/82/353474982.db2.gz XVZIPEUWPWWTOJ-OAHLLOKOSA-N 1 3 285.432 -0.170 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351498367 353476057 /nfs/dbraw/zinc/47/60/57/353476057.db2.gz VPDXEWUFPDXSGL-HBNTYKKESA-N 1 3 261.391 -0.405 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000351653444 353476637 /nfs/dbraw/zinc/47/66/37/353476637.db2.gz VRQHNKKYLXQYPB-UPJWGTAASA-N 1 3 269.389 -0.054 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351653444 353476640 /nfs/dbraw/zinc/47/66/40/353476640.db2.gz VRQHNKKYLXQYPB-UPJWGTAASA-N 1 3 269.389 -0.054 20 0 CBADHO CN(CCOCC[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000353488125 353532695 /nfs/dbraw/zinc/53/26/95/353532695.db2.gz NUDDUASSDDWHBA-UHFFFAOYSA-N 1 3 272.389 -0.087 20 0 CBADHO CN(CCOCC[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000353488125 353532699 /nfs/dbraw/zinc/53/26/99/353532699.db2.gz NUDDUASSDDWHBA-UHFFFAOYSA-N 1 3 272.389 -0.087 20 0 CBADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000358097975 353626083 /nfs/dbraw/zinc/62/60/83/353626083.db2.gz OCVSPERBLQYKOO-KGLIPLIRSA-N 1 3 280.416 -0.214 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357932600 353615606 /nfs/dbraw/zinc/61/56/06/353615606.db2.gz QKMZOZNJYHMRAW-KLHWPWHYSA-N 1 3 253.346 -0.692 20 0 CBADHO CN([C@@H]1CCNC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478488 353669869 /nfs/dbraw/zinc/66/98/69/353669869.db2.gz LUKNLUZCCZPGJB-UONOGXRCSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364032666 353670975 /nfs/dbraw/zinc/67/09/75/353670975.db2.gz DHTYCNFKWXZPHO-KWQFWETISA-N 1 3 263.345 -0.217 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000365105207 353672658 /nfs/dbraw/zinc/67/26/58/353672658.db2.gz NKEJSYXJZBKSRJ-MGAJPHDKSA-N 1 3 267.373 -0.038 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000372505869 353717681 /nfs/dbraw/zinc/71/76/81/353717681.db2.gz NEJOWYJTWXIPQL-SGMGOOAPSA-N 1 3 267.373 -0.177 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000375833454 353768136 /nfs/dbraw/zinc/76/81/36/353768136.db2.gz ICYKSWDUGIZZHD-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000375898839 353768882 /nfs/dbraw/zinc/76/88/82/353768882.db2.gz YHWOPFJODBXKKK-TUAOUCFPSA-N 1 3 275.418 -0.002 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956067 353769944 /nfs/dbraw/zinc/76/99/44/353769944.db2.gz ADTFVIBFAAGHIA-OLZOCXBDSA-N 1 3 298.456 -0.412 20 0 CBADHO COCCNCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377582300 353778857 /nfs/dbraw/zinc/77/88/57/353778857.db2.gz DEIVDAVYQYCRJV-ZDUSSCGKSA-N 1 3 255.362 -0.176 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000378207875 353780224 /nfs/dbraw/zinc/78/02/24/353780224.db2.gz SQEURUSZXQEPMA-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000388891486 353790267 /nfs/dbraw/zinc/79/02/67/353790267.db2.gz FWFWMVPSIDCIQY-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000388891486 353790271 /nfs/dbraw/zinc/79/02/71/353790271.db2.gz FWFWMVPSIDCIQY-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417085971 353975690 /nfs/dbraw/zinc/97/56/90/353975690.db2.gz BYWHJZXJQWUKOS-GFCCVEGCSA-N 1 3 272.393 -0.009 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCN(C)CCOC ZINC000417437398 353977339 /nfs/dbraw/zinc/97/73/39/353977339.db2.gz HFSTUINYHKTXOK-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)NCCN(C)CCOC ZINC000417443366 353977933 /nfs/dbraw/zinc/97/79/33/353977933.db2.gz YAUNYTXDVUQOGQ-LLVKDONJSA-N 1 3 260.382 -0.138 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)NCCN(C)CCOC)C1 ZINC000417442504 353978045 /nfs/dbraw/zinc/97/80/45/353978045.db2.gz UVTYUNDVVGJTCS-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000417705544 353981146 /nfs/dbraw/zinc/98/11/46/353981146.db2.gz MENNLUPTSOQUDS-NWDGAFQWSA-N 1 3 272.393 -0.010 20 0 CBADHO COCC[NH2+]CCNC(=O)NCCN(C)C1CC1 ZINC000417629685 353981192 /nfs/dbraw/zinc/98/11/92/353981192.db2.gz SQYNNLAEKMUUMW-UHFFFAOYSA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000417715910 353982033 /nfs/dbraw/zinc/98/20/33/353982033.db2.gz TWYJNSPOWSIAJT-NWDGAFQWSA-N 1 3 270.377 -0.256 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000417708046 353982298 /nfs/dbraw/zinc/98/22/98/353982298.db2.gz OABWALLSQQSSGL-RYUDHWBXSA-N 1 3 272.393 -0.138 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)NCCN(C)CCCOC)C1 ZINC000417741317 353983006 /nfs/dbraw/zinc/98/30/06/353983006.db2.gz ADBRFQRGZXGBHK-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCCN(C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417756111 353983237 /nfs/dbraw/zinc/98/32/37/353983237.db2.gz RRTPJHFQSAAGCY-LBPRGKRZSA-N 1 3 272.393 -0.009 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CNCCO1 ZINC000418433211 353998096 /nfs/dbraw/zinc/99/80/96/353998096.db2.gz CIKSDKCOISHTGA-JTQLQIEISA-N 1 3 258.366 -0.209 20 0 CBADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000417841851 353984632 /nfs/dbraw/zinc/98/46/32/353984632.db2.gz PGHOVNXSRSHAFS-MDZLAQPJSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000417841847 353984946 /nfs/dbraw/zinc/98/49/46/353984946.db2.gz PGHOVNXSRSHAFS-GVXVVHGQSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCCN1C ZINC000417993286 353985261 /nfs/dbraw/zinc/98/52/61/353985261.db2.gz AKBFWVQZFMSHAN-UTUOFQBUSA-N 1 3 270.377 -0.162 20 0 CBADHO CC1(C)CN(C(=O)NCCCN2CC[NH2+]CC2)CCN1 ZINC000418292003 353990956 /nfs/dbraw/zinc/99/09/56/353990956.db2.gz WZKMXLMWYFKRKS-UHFFFAOYSA-N 1 3 283.420 -0.325 20 0 CBADHO N[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418294987 353991412 /nfs/dbraw/zinc/99/14/12/353991412.db2.gz HXMQJVYNDLKWBP-AWEZNQCLSA-N 1 3 291.399 -0.109 20 0 CBADHO N[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418294989 353991418 /nfs/dbraw/zinc/99/14/18/353991418.db2.gz HXMQJVYNDLKWBP-CQSZACIVSA-N 1 3 291.399 -0.109 20 0 CBADHO C[NH2+]CCCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418309811 353992651 /nfs/dbraw/zinc/99/26/51/353992651.db2.gz OBDIFKFCGZDMMZ-ZDUSSCGKSA-N 1 3 286.420 -0.012 20 0 CBADHO CC[NH2+]CCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000418320209 353992787 /nfs/dbraw/zinc/99/27/87/353992787.db2.gz UCPHPRUUBZRPJE-MRVPVSSYSA-N 1 3 250.293 -0.108 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H](C)C[NH2+]C ZINC000418351907 353993754 /nfs/dbraw/zinc/99/37/54/353993754.db2.gz BPCGQYQIEJCJBO-LLVKDONJSA-N 1 3 260.382 -0.545 20 0 CBADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CCC[NH2+]C1 ZINC000418375631 353994614 /nfs/dbraw/zinc/99/46/14/353994614.db2.gz FAKVZIGYDUETQM-QWHCGFSZSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@H]1CCCN1CCCO)NC[C@@H]1CCC[NH2+]1 ZINC000418361135 353995191 /nfs/dbraw/zinc/99/51/91/353995191.db2.gz GSYFTMBIIBOQQC-QWHCGFSZSA-N 1 3 284.404 -0.116 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000418424173 353996505 /nfs/dbraw/zinc/99/65/05/353996505.db2.gz GMVDICQPUOXXAU-YPMHNXCESA-N 1 3 272.393 -0.274 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418506568 354000021 /nfs/dbraw/zinc/00/00/21/354000021.db2.gz ITEWCVSADWLATR-GHMZBOCLSA-N 1 3 258.366 -0.480 20 0 CBADHO COCC[NH2+]CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418514764 354000797 /nfs/dbraw/zinc/00/07/97/354000797.db2.gz XNOZFQFDJIYQBI-QWRGUYRKSA-N 1 3 258.366 -0.386 20 0 CBADHO C[C@H](C[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418516921 354001062 /nfs/dbraw/zinc/00/10/62/354001062.db2.gz UHVNKYJANINNIV-GFCCVEGCSA-N 1 3 299.419 -0.375 20 0 CBADHO COCCNCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418512674 354001324 /nfs/dbraw/zinc/00/13/24/354001324.db2.gz UGYHIBUXGKVSCV-XQQFMLRXSA-N 1 3 284.404 -0.009 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)CCC1 ZINC000419247589 354041977 /nfs/dbraw/zinc/04/19/77/354041977.db2.gz XJIRJMUOPLVYJG-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418549444 354002018 /nfs/dbraw/zinc/00/20/18/354002018.db2.gz KSNKRIMIRMTVNB-RYUDHWBXSA-N 1 3 272.393 -0.402 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418533640 354002275 /nfs/dbraw/zinc/00/22/75/354002275.db2.gz DOMMZPJIPMPISC-AWEZNQCLSA-N 1 3 286.420 -0.011 20 0 CBADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418665798 354004877 /nfs/dbraw/zinc/00/48/77/354004877.db2.gz CUSCQYIRLLLGIW-NDBYEHHHSA-N 1 3 282.388 -0.650 20 0 CBADHO COC[C@]1(CNC(=O)N(C)CCN(C)C)CCC[NH2+]1 ZINC000418653237 354005244 /nfs/dbraw/zinc/00/52/44/354005244.db2.gz KGNNSQSJPPJGTD-CYBMUJFWSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418734390 354005890 /nfs/dbraw/zinc/00/58/90/354005890.db2.gz RYVUTCLEKYWUCU-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418732226 354006027 /nfs/dbraw/zinc/00/60/27/354006027.db2.gz QNMVVBPTVSQDLR-NEPJUHHUSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418781566 354008799 /nfs/dbraw/zinc/00/87/99/354008799.db2.gz CRPFISFTUZMPBD-BFHYXJOUSA-N 1 3 298.431 -0.012 20 0 CBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH3+] ZINC000418881549 354014290 /nfs/dbraw/zinc/01/42/90/354014290.db2.gz XMMAABRGRVPNRF-CYBMUJFWSA-N 1 3 292.383 -0.650 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419020834 354023989 /nfs/dbraw/zinc/02/39/89/354023989.db2.gz GETPWUUZGUZQNH-JHJVBQTASA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018920 354024001 /nfs/dbraw/zinc/02/40/01/354024001.db2.gz CVUSIUXPAPZSSG-RNJOBUHISA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCN)C1 ZINC000419027967 354025072 /nfs/dbraw/zinc/02/50/72/354025072.db2.gz PLEBCMREQYVFOU-VXGBXAGGSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026312 354025304 /nfs/dbraw/zinc/02/53/04/354025304.db2.gz NKSVOAXCQLZYFJ-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419080736 354027248 /nfs/dbraw/zinc/02/72/48/354027248.db2.gz QFMCJNRPRWOAQE-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC[NH3+] ZINC000419120395 354029495 /nfs/dbraw/zinc/02/94/95/354029495.db2.gz KUIWVQFAVSKJJJ-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N1CCC(C)CC1 ZINC000419144584 354031299 /nfs/dbraw/zinc/03/12/99/354031299.db2.gz FVCUFBFHFUATRJ-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419144580 354031786 /nfs/dbraw/zinc/03/17/86/354031786.db2.gz FVCUFBFHFUATRJ-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[NH3+])N1CCC(C)CC1 ZINC000419160997 354033898 /nfs/dbraw/zinc/03/38/98/354033898.db2.gz RCAYWVDHJGWVMM-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC[NH3+])N1CCC(C)CC1 ZINC000419159762 354034407 /nfs/dbraw/zinc/03/44/07/354034407.db2.gz OMNXFHYJFUIPTL-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO NCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419183820 354035492 /nfs/dbraw/zinc/03/54/92/354035492.db2.gz MSQRODQPMIXVSI-ZDUSSCGKSA-N 1 3 296.415 -0.025 20 0 CBADHO NCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419183820 354035493 /nfs/dbraw/zinc/03/54/93/354035493.db2.gz MSQRODQPMIXVSI-ZDUSSCGKSA-N 1 3 296.415 -0.025 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419282288 354043477 /nfs/dbraw/zinc/04/34/77/354043477.db2.gz HTQXLPSDGZOVAN-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C1CC1 ZINC000419591449 354065058 /nfs/dbraw/zinc/06/50/58/354065058.db2.gz RCXHDZXANKAGIQ-UTUOFQBUSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[NH+](CCCNC(=O)C(=O)NCCN)C(C)C ZINC000419662195 354068207 /nfs/dbraw/zinc/06/82/07/354068207.db2.gz HEVIEDGQTZTZOT-UHFFFAOYSA-N 1 3 272.393 -0.314 20 0 CBADHO C[C@H](CCNC(=O)C(=O)N(C)CCN)[NH+]1CCCCC1 ZINC000419706220 354071018 /nfs/dbraw/zinc/07/10/18/354071018.db2.gz CIRSBUFIUQUWRA-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700070 354071552 /nfs/dbraw/zinc/07/15/52/354071552.db2.gz WYRNGJCJLRTULO-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419733068 354073789 /nfs/dbraw/zinc/07/37/89/354073789.db2.gz NQVGIDGKDFQDAQ-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419736161 354074141 /nfs/dbraw/zinc/07/41/41/354074141.db2.gz RLXDXWJTKHKAEZ-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419780240 354077606 /nfs/dbraw/zinc/07/76/06/354077606.db2.gz QNOYFHMEDJRNOE-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419774932 354077726 /nfs/dbraw/zinc/07/77/26/354077726.db2.gz KFJUJMKZZCOGEN-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419782454 354077797 /nfs/dbraw/zinc/07/77/97/354077797.db2.gz OOLXVNHCLQKEEH-ZYHUDNBSSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419881099 354088521 /nfs/dbraw/zinc/08/85/21/354088521.db2.gz ASGOPPYKKMYLFV-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838006 354082492 /nfs/dbraw/zinc/08/24/92/354082492.db2.gz DUSYNTNSJNCURI-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419841612 354083153 /nfs/dbraw/zinc/08/31/53/354083153.db2.gz GLFTWSPKIVCHPB-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419847375 354083740 /nfs/dbraw/zinc/08/37/40/354083740.db2.gz SZRQLIDZZRKOGY-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419846514 354084001 /nfs/dbraw/zinc/08/40/01/354084001.db2.gz QBDSWSHBWFEGTC-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848803 354084942 /nfs/dbraw/zinc/08/49/42/354084942.db2.gz XDJLAWGVVVLERJ-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848804 354085102 /nfs/dbraw/zinc/08/51/02/354085102.db2.gz XDJLAWGVVVLERJ-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419883064 354088721 /nfs/dbraw/zinc/08/87/21/354088721.db2.gz YMHMBKAZBPXRIT-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419292337 354044303 /nfs/dbraw/zinc/04/43/03/354044303.db2.gz YHAYUKWCMREOAV-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419292141 354044503 /nfs/dbraw/zinc/04/45/03/354044503.db2.gz XUMUJDULCSZXJS-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419293048 354044648 /nfs/dbraw/zinc/04/46/48/354044648.db2.gz ZYNPJDUQGDLYRH-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419291214 354044815 /nfs/dbraw/zinc/04/48/15/354044815.db2.gz WPEZEFCBEPOSDZ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419333991 354047507 /nfs/dbraw/zinc/04/75/07/354047507.db2.gz MWLNWFQDTVTLSQ-JIMOISOXSA-N 1 3 294.399 -0.561 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419407658 354051155 /nfs/dbraw/zinc/05/11/55/354051155.db2.gz KSVACDBDJJNIQT-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419414709 354052285 /nfs/dbraw/zinc/05/22/85/354052285.db2.gz UHVHOPVOHVVDJF-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419410954 354052328 /nfs/dbraw/zinc/05/23/28/354052328.db2.gz PFYJULKTKWFRGK-NSHDSACASA-N 1 3 270.377 -0.701 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419414008 354052785 /nfs/dbraw/zinc/05/27/85/354052785.db2.gz DRXCLXIJBLMPJC-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419409624 354052790 /nfs/dbraw/zinc/05/27/90/354052790.db2.gz NFRYIYQMUVTYNY-STQMWFEESA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419417656 354053032 /nfs/dbraw/zinc/05/30/32/354053032.db2.gz XKNJNTNCHILCGJ-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419415205 354053578 /nfs/dbraw/zinc/05/35/78/354053578.db2.gz UWVHNXZSZYVUNN-RYUDHWBXSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419419926 354053695 /nfs/dbraw/zinc/05/36/95/354053695.db2.gz JILHMTVHXXZPQN-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419417176 354053851 /nfs/dbraw/zinc/05/38/51/354053851.db2.gz WZGYEXWAIDQEFB-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419431647 354054285 /nfs/dbraw/zinc/05/42/85/354054285.db2.gz XMQCQOMMTOWXHV-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419431708 354054509 /nfs/dbraw/zinc/05/45/09/354054509.db2.gz XRQHWJFYUAHUSQ-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419429866 354054611 /nfs/dbraw/zinc/05/46/11/354054611.db2.gz VDIYNFREYNUOST-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419509236 354057099 /nfs/dbraw/zinc/05/70/99/354057099.db2.gz DUJCXFJBDXRRJE-TXEJJXNPSA-N 1 3 294.399 -0.735 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000419519086 354057750 /nfs/dbraw/zinc/05/77/50/354057750.db2.gz FOKHISIYAZSAQY-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419529435 354058209 /nfs/dbraw/zinc/05/82/09/354058209.db2.gz XTBIXCFVZGZPEH-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419526353 354058651 /nfs/dbraw/zinc/05/86/51/354058651.db2.gz STNRKFGXZFICAX-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419530421 354058683 /nfs/dbraw/zinc/05/86/83/354058683.db2.gz ZHUNOYIBVWGHDM-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419530301 354058710 /nfs/dbraw/zinc/05/87/10/354058710.db2.gz YVDPWPQQAZDPIC-LBPRGKRZSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419528034 354058720 /nfs/dbraw/zinc/05/87/20/354058720.db2.gz VUDDCPRTFHDCJV-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)C(C)(C)C[NH+](C)C ZINC000419537169 354059725 /nfs/dbraw/zinc/05/97/25/354059725.db2.gz CGMZFBLGEKOAAS-VHSXEESVSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@H](NC(=O)C(=O)N1CCCNCC1)C(C)(C)C[NH+](C)C ZINC000419546725 354060014 /nfs/dbraw/zinc/06/00/14/354060014.db2.gz OORKNBRUJNETJH-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](NC(=O)C(=O)N1CCCNCC1)C(C)(C)C[NH+](C)C ZINC000419546724 354060470 /nfs/dbraw/zinc/06/04/70/354060470.db2.gz OORKNBRUJNETJH-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419883834 354089631 /nfs/dbraw/zinc/08/96/31/354089631.db2.gz FADSLASLKPYDKN-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419903785 354091645 /nfs/dbraw/zinc/09/16/45/354091645.db2.gz WXCUZGAQQNSYMT-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419904961 354091884 /nfs/dbraw/zinc/09/18/84/354091884.db2.gz YFKWQKNUEGSGNA-UHFFFAOYSA-N 1 3 296.371 -0.495 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000419927455 354094066 /nfs/dbraw/zinc/09/40/66/354094066.db2.gz CSHWODFTCOHOHS-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H]1N(C)C ZINC000419930525 354094739 /nfs/dbraw/zinc/09/47/39/354094739.db2.gz BGTUTNJRQHIGRB-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419943838 354095202 /nfs/dbraw/zinc/09/52/02/354095202.db2.gz HYBVCQDYUHFCDZ-GFCCVEGCSA-N 1 3 286.420 -0.243 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419943840 354095424 /nfs/dbraw/zinc/09/54/24/354095424.db2.gz HYBVCQDYUHFCDZ-LBPRGKRZSA-N 1 3 286.420 -0.243 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000419949435 354096135 /nfs/dbraw/zinc/09/61/35/354096135.db2.gz LGFSHFDELOCKSA-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953555 354096604 /nfs/dbraw/zinc/09/66/04/354096604.db2.gz PVXQWFIHTXCIAN-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000419960720 354097372 /nfs/dbraw/zinc/09/73/72/354097372.db2.gz WRPYRBRXPKJTAC-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000419970809 354098075 /nfs/dbraw/zinc/09/80/75/354098075.db2.gz CMICMZVWODRWCP-LBPRGKRZSA-N 1 3 284.404 -0.362 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000419981320 354099324 /nfs/dbraw/zinc/09/93/24/354099324.db2.gz RZYNBWMXIPIIMP-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420022363 354103299 /nfs/dbraw/zinc/10/32/99/354103299.db2.gz VQMVCLUOYQIHBM-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420021107 354103345 /nfs/dbraw/zinc/10/33/45/354103345.db2.gz UALRVIBLLUNRPC-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420034683 354103806 /nfs/dbraw/zinc/10/38/06/354103806.db2.gz XUUOQITVLQLBSH-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420034683 354103811 /nfs/dbraw/zinc/10/38/11/354103811.db2.gz XUUOQITVLQLBSH-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)C ZINC000420065386 354107243 /nfs/dbraw/zinc/10/72/43/354107243.db2.gz PQTTYEFGKVSDCO-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)C ZINC000420065386 354107245 /nfs/dbraw/zinc/10/72/45/354107245.db2.gz PQTTYEFGKVSDCO-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H]1CCN(CCC(=O)N2CCNCC2)[C@H](C[NH3+])C1 ZINC000420333987 354124591 /nfs/dbraw/zinc/12/45/91/354124591.db2.gz KOXOQZAQMSYFEX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)[C@H](CN)C1 ZINC000420333987 354124592 /nfs/dbraw/zinc/12/45/92/354124592.db2.gz KOXOQZAQMSYFEX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)[C@H](CN)C1 ZINC000420333987 354124594 /nfs/dbraw/zinc/12/45/94/354124594.db2.gz KOXOQZAQMSYFEX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423232906 354165890 /nfs/dbraw/zinc/16/58/90/354165890.db2.gz JARVWQRBWVYVFX-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423232905 354165969 /nfs/dbraw/zinc/16/59/69/354165969.db2.gz JARVWQRBWVYVFX-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CN1CCN(C(=O)CCN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422714155 354152019 /nfs/dbraw/zinc/15/20/19/354152019.db2.gz KSJCYBFJVSZBKM-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422714155 354152020 /nfs/dbraw/zinc/15/20/20/354152020.db2.gz KSJCYBFJVSZBKM-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422971379 354158819 /nfs/dbraw/zinc/15/88/19/354158819.db2.gz IOAYHBUHGHRFJQ-NEPJUHHUSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422977057 354159355 /nfs/dbraw/zinc/15/93/55/354159355.db2.gz WBCOCFUORWVVNV-VXGBXAGGSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423062430 354161168 /nfs/dbraw/zinc/16/11/68/354161168.db2.gz NAOCKQJSNMVOHW-LBPRGKRZSA-N 1 3 284.404 -0.408 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423624953 354185899 /nfs/dbraw/zinc/18/58/99/354185899.db2.gz QKMKVVSKKMEWLM-ZDUSSCGKSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423712309 354193322 /nfs/dbraw/zinc/19/33/22/354193322.db2.gz CXJTUKMVXUOQRB-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423718712 354193869 /nfs/dbraw/zinc/19/38/69/354193869.db2.gz DIDWLVTWTZSOTR-GFCCVEGCSA-N 1 3 298.431 -0.018 20 0 CBADHO CN1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129053 354209917 /nfs/dbraw/zinc/20/99/17/354209917.db2.gz FYWYXBUUNXUXMH-NEPJUHHUSA-N 1 3 292.387 -0.116 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CNCCN1C ZINC000423500852 354178543 /nfs/dbraw/zinc/17/85/43/354178543.db2.gz DBCVWDJQUYZWJU-KWCYVHTRSA-N 1 3 252.406 -0.038 20 0 CBADHO C[C@@H](CC(N)=O)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442888620 354259275 /nfs/dbraw/zinc/25/92/75/354259275.db2.gz GTJNMHQFJQRIBS-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO CCC[C@@H](N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424233796 354220559 /nfs/dbraw/zinc/22/05/59/354220559.db2.gz JMOFTYZXJSEAHD-QJPTWQEYSA-N 1 3 265.361 -0.199 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424484120 354226135 /nfs/dbraw/zinc/22/61/35/354226135.db2.gz ZSIKFYZANPXDAB-KGYLQXTDSA-N 1 3 294.403 -0.288 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444271820 354267243 /nfs/dbraw/zinc/26/72/43/354267243.db2.gz ZZTWACJCMKIYHL-DZGCQCFKSA-N 1 3 280.416 -0.260 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444269047 354267475 /nfs/dbraw/zinc/26/74/75/354267475.db2.gz OXMZVCIHAWMQCY-UKRRQHHQSA-N 1 3 280.416 -0.260 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444271822 354267652 /nfs/dbraw/zinc/26/76/52/354267652.db2.gz ZZTWACJCMKIYHL-HIFRSBDPSA-N 1 3 280.416 -0.260 20 0 CBADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000449345646 354319773 /nfs/dbraw/zinc/31/97/73/354319773.db2.gz WJWMFARSLGUYRT-UHFFFAOYSA-N 1 3 294.399 -0.366 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000460084601 354397942 /nfs/dbraw/zinc/39/79/42/354397942.db2.gz VKOBDVFZHWMQHC-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000471633558 354400563 /nfs/dbraw/zinc/40/05/63/354400563.db2.gz BROAIZSJPVQMAI-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CN1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000487130845 354411846 /nfs/dbraw/zinc/41/18/46/354411846.db2.gz PXEVKZQZKULQJG-AWEZNQCLSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487190242 354412951 /nfs/dbraw/zinc/41/29/51/354412951.db2.gz QXDUTYVQOIOGOG-RYUDHWBXSA-N 1 3 257.378 -0.386 20 0 CBADHO CCN(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487190242 354412952 /nfs/dbraw/zinc/41/29/52/354412952.db2.gz QXDUTYVQOIOGOG-RYUDHWBXSA-N 1 3 257.378 -0.386 20 0 CBADHO CCN(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487190244 354412971 /nfs/dbraw/zinc/41/29/71/354412971.db2.gz QXDUTYVQOIOGOG-VXGBXAGGSA-N 1 3 257.378 -0.386 20 0 CBADHO CCN(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487190244 354412972 /nfs/dbraw/zinc/41/29/72/354412972.db2.gz QXDUTYVQOIOGOG-VXGBXAGGSA-N 1 3 257.378 -0.386 20 0 CBADHO COCCN1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491904848 354462794 /nfs/dbraw/zinc/46/27/94/354462794.db2.gz LAMZGWBBHOAXLP-QMAVJUDZSA-N 1 3 255.362 -0.059 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)OC ZINC000496284884 354540093 /nfs/dbraw/zinc/54/00/93/354540093.db2.gz QIPLDZSIXLYSIP-JTQLQIEISA-N 1 3 271.365 -0.059 20 0 CBADHO C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])CN1CCN(C)CC1 ZINC000493945105 354494777 /nfs/dbraw/zinc/49/47/77/354494777.db2.gz NQIKPRPWUPNDNR-JHJVBQTASA-N 1 3 270.421 -0.031 20 0 CBADHO CC[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000518530778 354558357 /nfs/dbraw/zinc/55/83/57/354558357.db2.gz HLTRVWDHKPIDSO-ZJUUUORDSA-N 1 3 256.350 -0.963 20 0 CBADHO CN(C)CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000518767823 354559640 /nfs/dbraw/zinc/55/96/40/354559640.db2.gz ZMFZRYKSVICQKG-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000518767824 354559829 /nfs/dbraw/zinc/55/98/29/354559829.db2.gz ZMFZRYKSVICQKG-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519635690 354565863 /nfs/dbraw/zinc/56/58/63/354565863.db2.gz AIUIEOUJOPZCPJ-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000520610004 354569701 /nfs/dbraw/zinc/56/97/01/354569701.db2.gz ONORFFIILTZVBU-LBPRGKRZSA-N 1 3 282.388 -0.639 20 0 CBADHO COC[C@@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000537567798 354610245 /nfs/dbraw/zinc/61/02/45/354610245.db2.gz YPAAMQCFTRONAG-ILXRZTDVSA-N 1 3 285.432 -0.049 20 0 CBADHO O=C(NC[C@H]1CNCCO1)C12CCC[NH+]1CCC2 ZINC000562981394 354690594 /nfs/dbraw/zinc/69/05/94/354690594.db2.gz IUFLVPHZZMEIDT-LLVKDONJSA-N 1 3 253.346 -0.281 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)CC[NH3+])CC1 ZINC000563070088 354694505 /nfs/dbraw/zinc/69/45/05/354694505.db2.gz OXPZTOLXTJPBAA-UHFFFAOYSA-N 1 3 271.361 -0.274 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)CN1CCN(C)CC1 ZINC000563077513 354694554 /nfs/dbraw/zinc/69/45/54/354694554.db2.gz IFCOPMKZNINIDW-HZSPNIEDSA-N 1 3 282.432 -0.016 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000563093064 354695817 /nfs/dbraw/zinc/69/58/17/354695817.db2.gz XNVJFYQGOUYLIE-WCQYABFASA-N 1 3 269.389 -0.053 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000563095493 354696040 /nfs/dbraw/zinc/69/60/40/354696040.db2.gz WLOVBJSYZLZKNO-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN1CCC(C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000563101633 354696880 /nfs/dbraw/zinc/69/68/80/354696880.db2.gz JZSIPKIQINMKSY-LBPRGKRZSA-N 1 3 254.378 -0.571 20 0 CBADHO NC(C(=O)N1CCCO[C@@H](C[NH3+])C1)C(F)(F)F ZINC000563112626 354697325 /nfs/dbraw/zinc/69/73/25/354697325.db2.gz HZPODJHLEYWKHL-BQBZGAKWSA-N 1 3 255.240 -0.548 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564456795 354712783 /nfs/dbraw/zinc/71/27/83/354712783.db2.gz ORYCOFVIUXDVGQ-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000564798907 354717396 /nfs/dbraw/zinc/71/73/96/354717396.db2.gz AANAKAMOGZWTLE-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[NH+](CC)CCCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565237016 354733715 /nfs/dbraw/zinc/73/37/15/354733715.db2.gz ASVZBBFHLWWZCQ-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@]1(C[NH3+])CCN(CCC(=O)N2CCNCC2)C1 ZINC000564986295 354723456 /nfs/dbraw/zinc/72/34/56/354723456.db2.gz LSLFEWXRXDUHFA-CYBMUJFWSA-N 1 3 254.378 -0.521 20 0 CBADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N2CCNCC2)C1 ZINC000564986296 354723713 /nfs/dbraw/zinc/72/37/13/354723713.db2.gz LSLFEWXRXDUHFA-ZDUSSCGKSA-N 1 3 254.378 -0.521 20 0 CBADHO CC1CCN(CC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000566200530 354756994 /nfs/dbraw/zinc/75/69/94/354756994.db2.gz YXUQLIRNPCGAOB-CYBMUJFWSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000566236533 354759193 /nfs/dbraw/zinc/75/91/93/354759193.db2.gz FQMOCRNOJHFAIQ-QJPTWQEYSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566513036 354770956 /nfs/dbraw/zinc/77/09/56/354770956.db2.gz RUUCOIJOHTVNJN-RYUDHWBXSA-N 1 3 282.388 -0.594 20 0 CBADHO COCCN(C)CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566918455 354777188 /nfs/dbraw/zinc/77/71/88/354777188.db2.gz WACMEYFRCCYIRF-YPMHNXCESA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566975068 354778797 /nfs/dbraw/zinc/77/87/97/354778797.db2.gz SHIUTQUVRHFMPP-OBJOEFQTSA-N 1 3 298.431 -0.033 20 0 CBADHO CCC[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+](C)C ZINC000567292421 354785033 /nfs/dbraw/zinc/78/50/33/354785033.db2.gz PROVWMXYNMIUDF-GRYCIOLGSA-N 1 3 282.388 -0.513 20 0 CBADHO COCCN(C)CCCNC(=O)N(C)CCC[NH3+] ZINC000565254668 354734779 /nfs/dbraw/zinc/73/47/79/354734779.db2.gz OITJWOWJSSYWDR-UHFFFAOYSA-N 1 3 260.382 -0.055 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COC1CNC1 ZINC000567811714 354797932 /nfs/dbraw/zinc/79/79/32/354797932.db2.gz BFJNDFKLWXMOJZ-CMPLNLGQSA-N 1 3 255.362 -0.227 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COC1CNC1 ZINC000567811714 354797937 /nfs/dbraw/zinc/79/79/37/354797937.db2.gz BFJNDFKLWXMOJZ-CMPLNLGQSA-N 1 3 255.362 -0.227 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567817053 354798751 /nfs/dbraw/zinc/79/87/51/354798751.db2.gz GPAOAZGBDKPJAO-NWDGAFQWSA-N 1 3 286.445 -0.427 20 0 CBADHO O[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Cn1cccn1 ZINC000567875759 354802724 /nfs/dbraw/zinc/80/27/24/354802724.db2.gz KUUKSGXUUTYTNF-CHWSQXEVSA-N 1 3 268.361 -0.710 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000567908164 354803925 /nfs/dbraw/zinc/80/39/25/354803925.db2.gz ZEKKIZCVOBPBKU-FOGDFJRCSA-N 1 3 270.377 -0.718 20 0 CBADHO C[C@@H](NC(=O)CCOC1CNC1)[C@H]1CCC[NH2+]C1 ZINC000568076352 354809658 /nfs/dbraw/zinc/80/96/58/354809658.db2.gz GCHLPUGHJITBHF-MNOVXSKESA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)[C@@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@@H](C)[NH3+] ZINC000568264715 354819206 /nfs/dbraw/zinc/81/92/06/354819206.db2.gz UEXDGHNPSKGZOF-NXEZZACHSA-N 1 3 295.391 -0.228 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568286789 354820102 /nfs/dbraw/zinc/82/01/02/354820102.db2.gz GQVGDFFVSJWNGM-NEPJUHHUSA-N 1 3 297.403 -0.718 20 0 CBADHO O=C(COC1CNC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568390414 354822211 /nfs/dbraw/zinc/82/22/11/354822211.db2.gz MGEWYGMNXVTOIC-NWDGAFQWSA-N 1 3 267.373 -0.177 20 0 CBADHO COC[C@@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000568619428 354827866 /nfs/dbraw/zinc/82/78/66/354827866.db2.gz BWXZTYXXRJJXRS-MJBXVCDLSA-N 1 3 272.389 -0.039 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568750017 354830498 /nfs/dbraw/zinc/83/04/98/354830498.db2.gz RNHXUNLXXQPTME-MCIONIFRSA-N 1 3 280.416 -0.275 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000568746144 354830510 /nfs/dbraw/zinc/83/05/10/354830510.db2.gz NBUVLYVBCZLSDD-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO COC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000567689083 354793726 /nfs/dbraw/zinc/79/37/26/354793726.db2.gz BWXZTYXXRJJXRS-RDBSUJKOSA-N 1 3 272.389 -0.039 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)CCCO1 ZINC000567732817 354795285 /nfs/dbraw/zinc/79/52/85/354795285.db2.gz WVJSTSKKIBEBNX-GHMZBOCLSA-N 1 3 273.402 -0.342 20 0 CBADHO CN1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567772274 354796452 /nfs/dbraw/zinc/79/64/52/354796452.db2.gz NAFAXKFRDHRYJK-RYUDHWBXSA-N 1 3 292.387 -0.146 20 0 CBADHO C[C@@H]1NCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H]1C ZINC000569224956 354840139 /nfs/dbraw/zinc/84/01/39/354840139.db2.gz JCQPHWCYSJMSNV-UWVGGRQHSA-N 1 3 266.349 -0.551 20 0 CBADHO C[C@H]1NCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H]1C ZINC000569224951 354840217 /nfs/dbraw/zinc/84/02/17/354840217.db2.gz JCQPHWCYSJMSNV-NXEZZACHSA-N 1 3 266.349 -0.551 20 0 CBADHO CCOC[C@@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960523 354850887 /nfs/dbraw/zinc/85/08/87/354850887.db2.gz KQPQTRHSJJFPGF-STQMWFEESA-N 1 3 287.404 -0.439 20 0 CBADHO CCOC[C@@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960523 354850889 /nfs/dbraw/zinc/85/08/89/354850889.db2.gz KQPQTRHSJJFPGF-STQMWFEESA-N 1 3 287.404 -0.439 20 0 CBADHO CN(C)C(=O)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569972789 354851354 /nfs/dbraw/zinc/85/13/54/354851354.db2.gz VYBFEOISCAETEY-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO O=C(COC1CNC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000569967263 354851854 /nfs/dbraw/zinc/85/18/54/354851854.db2.gz HJLDYBCKERVYOB-UHFFFAOYSA-N 1 3 267.373 -0.035 20 0 CBADHO Cc1nc2n(n1)C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437791 354862206 /nfs/dbraw/zinc/86/22/06/354862206.db2.gz CASAUAQIHQCGSW-WCQYABFASA-N 1 3 279.388 -0.054 20 0 CBADHO Cc1nc2n(n1)C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437791 354862207 /nfs/dbraw/zinc/86/22/07/354862207.db2.gz CASAUAQIHQCGSW-WCQYABFASA-N 1 3 279.388 -0.054 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000572124207 354887259 /nfs/dbraw/zinc/88/72/59/354887259.db2.gz MJJDZJWGORFCOB-BETUJISGSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000572347027 354891463 /nfs/dbraw/zinc/89/14/63/354891463.db2.gz PJZQAOBAAWISGX-TUAOUCFPSA-N 1 3 254.378 -0.524 20 0 CBADHO COC[C@@]1(CNC(=O)[C@@H](N)C2CCC2)CCC[NH2+]1 ZINC000572760512 354897130 /nfs/dbraw/zinc/89/71/30/354897130.db2.gz UAFYDFVSYZSJRB-AAEUAGOBSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@](C)(O)CN(C)C ZINC000572999142 354902734 /nfs/dbraw/zinc/90/27/34/354902734.db2.gz IAGZIZFIUSOTCG-HOSYDEDBSA-N 1 3 260.382 -0.276 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOC3CNC3)C[C@H]21 ZINC000572991964 354903084 /nfs/dbraw/zinc/90/30/84/354903084.db2.gz IDDDHAWZEQDLMS-RAIGVLPGSA-N 1 3 267.373 -0.049 20 0 CBADHO N[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000573117674 354905905 /nfs/dbraw/zinc/90/59/05/354905905.db2.gz LSZBIHDTJJXMSY-VXGBXAGGSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573204211 354907109 /nfs/dbraw/zinc/90/71/09/354907109.db2.gz OINHDHZGMSOPBW-PWSUYJOCSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@@H](NC1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241966 354907592 /nfs/dbraw/zinc/90/75/92/354907592.db2.gz WJBHHSXGTKWGGD-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](NC1CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000573241966 354907594 /nfs/dbraw/zinc/90/75/94/354907594.db2.gz WJBHHSXGTKWGGD-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000571917866 354882924 /nfs/dbraw/zinc/88/29/24/354882924.db2.gz LBGJJFUGWDSSFD-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000571917861 354883096 /nfs/dbraw/zinc/88/30/96/354883096.db2.gz LBGJJFUGWDSSFD-QJPTWQEYSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573743667 354921011 /nfs/dbraw/zinc/92/10/11/354921011.db2.gz XJQWQXRIPOZEAQ-WDEREUQCSA-N 1 3 256.350 -0.632 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000574042979 354927664 /nfs/dbraw/zinc/92/76/64/354927664.db2.gz WBOHHSZOVVIXIB-UMNHJUIQSA-N 1 3 270.377 -0.671 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCC1CC[NH2+]CC1 ZINC000574150006 354929434 /nfs/dbraw/zinc/92/94/34/354929434.db2.gz ODFDMHAUZMLWOK-LBPRGKRZSA-N 1 3 255.362 -0.129 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@@H](NCC2(O)CCCC2)C1=O ZINC000577645940 354938254 /nfs/dbraw/zinc/93/82/54/354938254.db2.gz AQFWRHBDGULHJO-GFCCVEGCSA-N 1 3 297.399 -0.040 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000579092211 354960846 /nfs/dbraw/zinc/96/08/46/354960846.db2.gz ZXBSAKTXQQNEDX-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000578196518 354941123 /nfs/dbraw/zinc/94/11/23/354941123.db2.gz LEKIKHVWVDDFIV-CQSZACIVSA-N 1 3 297.447 -0.966 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578442550 354945555 /nfs/dbraw/zinc/94/55/55/354945555.db2.gz XGZZAYIXXQQEFO-STQMWFEESA-N 1 3 293.371 -0.474 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1=CCN(C)CC1 ZINC000578670476 354953043 /nfs/dbraw/zinc/95/30/43/354953043.db2.gz ARZVQZJFTMOBER-PWSUYJOCSA-N 1 3 280.372 -0.769 20 0 CBADHO C[NH2+]CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000578766447 354954389 /nfs/dbraw/zinc/95/43/89/354954389.db2.gz URWSNHBIOCFIFT-CYBMUJFWSA-N 1 3 268.405 -0.167 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000578895493 354958425 /nfs/dbraw/zinc/95/84/25/354958425.db2.gz UBURYKFXWLGHDY-CQSZACIVSA-N 1 3 298.431 -0.491 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000579105935 354962050 /nfs/dbraw/zinc/96/20/50/354962050.db2.gz KEBFAMPCMXKVPV-JHJVBQTASA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(C)CC1 ZINC000579122740 354963343 /nfs/dbraw/zinc/96/33/43/354963343.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122740 354963345 /nfs/dbraw/zinc/96/33/45/354963345.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122740 354963346 /nfs/dbraw/zinc/96/33/46/354963346.db2.gz KTXVMFDBACACNZ-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO CN1CCN(C(=O)NCC2([NH+](C)C)CCC2)[C@@H](CN)C1 ZINC000579333269 354967133 /nfs/dbraw/zinc/96/71/33/354967133.db2.gz WTUGTEKFUQEXOH-LBPRGKRZSA-N 1 3 283.420 -0.245 20 0 CBADHO COC[C@]1(CNC(=O)CNC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000579464294 354970155 /nfs/dbraw/zinc/97/01/55/354970155.db2.gz JWPXDCTUVFLONC-GXTWGEPZSA-N 1 3 285.388 -0.360 20 0 CBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000580174234 354988973 /nfs/dbraw/zinc/98/89/73/354988973.db2.gz XLHUTUPBXDANQI-VXGBXAGGSA-N 1 3 280.372 -0.854 20 0 CBADHO COC[C@]1(C(=O)NCCNc2ccncc2)CC[NH2+]C1 ZINC000581009758 355003793 /nfs/dbraw/zinc/00/37/93/355003793.db2.gz VSRGFLNVYRQCKU-AWEZNQCLSA-N 1 3 278.356 -0.342 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580784324 354999075 /nfs/dbraw/zinc/99/90/75/354999075.db2.gz UPDKSAVMQGVKKM-CQSZACIVSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030824 /nfs/dbraw/zinc/03/08/24/355030824.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 1 3 281.404 -0.493 20 0 CBADHO COC(=O)c1cn(CCN[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000584789748 355038105 /nfs/dbraw/zinc/03/81/05/355038105.db2.gz ARWZKCQEHLCVSZ-ZJUUUORDSA-N 1 3 267.333 -0.076 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@H]2C1 ZINC000418677621 283069833 /nfs/dbraw/zinc/06/98/33/283069833.db2.gz UUDOSSXXRBETFT-BNDIWNMDSA-N 1 3 264.373 -0.060 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000582242680 355011406 /nfs/dbraw/zinc/01/14/06/355011406.db2.gz MRXVEIWUBGGGOL-SCVCMEIPSA-N 1 3 270.377 -0.800 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582253001 355012526 /nfs/dbraw/zinc/01/25/26/355012526.db2.gz YQXKOVDHARHQKQ-VXGBXAGGSA-N 1 3 292.383 -0.615 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CN1C1CC1 ZINC000582350474 355014884 /nfs/dbraw/zinc/01/48/84/355014884.db2.gz FBIMBNVEMSXPSZ-VXGBXAGGSA-N 1 3 294.399 -0.450 20 0 CBADHO COC[C@@](C)(O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000583495418 355018043 /nfs/dbraw/zinc/01/80/43/355018043.db2.gz DJLQNVDCKFJQKA-STQMWFEESA-N 1 3 260.378 -0.181 20 0 CBADHO COC[C@@](C)(O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000583495418 355018046 /nfs/dbraw/zinc/01/80/46/355018046.db2.gz DJLQNVDCKFJQKA-STQMWFEESA-N 1 3 260.378 -0.181 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000583995304 355027494 /nfs/dbraw/zinc/02/74/94/355027494.db2.gz DBLJTAFGTUNYCT-SDDRHHMPSA-N 1 3 253.346 -0.425 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000584107957 355029402 /nfs/dbraw/zinc/02/94/02/355029402.db2.gz DQSGBCUJPVASCM-CHWSQXEVSA-N 1 3 263.341 -0.339 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135924 355133008 /nfs/dbraw/zinc/13/30/08/355133008.db2.gz YKNUGSXOLJMUBO-RYUDHWBXSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135924 355133011 /nfs/dbraw/zinc/13/30/11/355133011.db2.gz YKNUGSXOLJMUBO-RYUDHWBXSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)[C@H]1CNCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000592434787 355154490 /nfs/dbraw/zinc/15/44/90/355154490.db2.gz PSEHPGSPEZQFKQ-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000592471048 355155672 /nfs/dbraw/zinc/15/56/72/355155672.db2.gz KNWORFDVUTWENP-VWYCJHECSA-N 1 3 271.361 -0.147 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000594186033 355237798 /nfs/dbraw/zinc/23/77/98/355237798.db2.gz IANHWVXDQHAVNQ-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000594186033 355237800 /nfs/dbraw/zinc/23/78/00/355237800.db2.gz IANHWVXDQHAVNQ-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594877937 355266815 /nfs/dbraw/zinc/26/68/15/355266815.db2.gz FMMXIXFFOGTEPZ-BJDJZHNGSA-N 1 3 280.372 -0.855 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H](C)[NH3+] ZINC000594877976 355266820 /nfs/dbraw/zinc/26/68/20/355266820.db2.gz JKNQDHLOQISGPJ-YFKTTZPYSA-N 1 3 282.388 -0.624 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594878147 355267318 /nfs/dbraw/zinc/26/73/18/355267318.db2.gz PUEGFRNYVPJQKP-QJPTWQEYSA-N 1 3 294.399 -0.465 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000594880426 355267688 /nfs/dbraw/zinc/26/76/88/355267688.db2.gz MNRBRGSKCFSAES-BJDJZHNGSA-N 1 3 280.372 -0.868 20 0 CBADHO CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594879700 355267771 /nfs/dbraw/zinc/26/77/71/355267771.db2.gz JUABFKROHFQQMV-QWRGUYRKSA-N 1 3 282.388 -0.478 20 0 CBADHO Cn1cncc1CCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903265 355316410 /nfs/dbraw/zinc/31/64/10/355316410.db2.gz QDPKCVNQFHRFQT-QWHCGFSZSA-N 1 3 277.372 -0.404 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266658 355276572 /nfs/dbraw/zinc/27/65/72/355276572.db2.gz AZIDNSLNVKFLBQ-IJLUTSLNSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000595268490 355277082 /nfs/dbraw/zinc/27/70/82/355277082.db2.gz VMJCKACJRIHOJN-QCNOEVLYSA-N 1 3 295.387 -0.933 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000595268502 355277147 /nfs/dbraw/zinc/27/71/47/355277147.db2.gz VMJCKACJRIHOJN-YFKTTZPYSA-N 1 3 295.387 -0.933 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267901 355277248 /nfs/dbraw/zinc/27/72/48/355277248.db2.gz PCUCCILNFKMYLG-QJPTWQEYSA-N 1 3 295.387 -0.918 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000596102357 355343975 /nfs/dbraw/zinc/34/39/75/355343975.db2.gz AKMLUKBMBUDTFL-GMXVVIOVSA-N 1 3 253.346 -0.567 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000602532001 355658407 /nfs/dbraw/zinc/65/84/07/355658407.db2.gz ZALMBINLGHESOC-QWRGUYRKSA-N 1 3 280.372 -0.901 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528995 355658537 /nfs/dbraw/zinc/65/85/37/355658537.db2.gz DJVUCSGHZNRJRX-ZJUUUORDSA-N 1 3 269.345 -0.332 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419126024 295907810 /nfs/dbraw/zinc/90/78/10/295907810.db2.gz VEVUYWDXTXZKOZ-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000612887600 355854763 /nfs/dbraw/zinc/85/47/63/355854763.db2.gz QREZKGDAPIXEDN-UKRRQHHQSA-N 1 3 297.447 -0.079 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612979700 355858774 /nfs/dbraw/zinc/85/87/74/355858774.db2.gz IYHUHPFGBZTFOO-BXUZGUMPSA-N 1 3 282.388 -0.506 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](CO)CN(C)C ZINC000614847671 355989496 /nfs/dbraw/zinc/98/94/96/355989496.db2.gz NEGJIBLJBKEUPU-GRYCIOLGSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CO)CN(C)C ZINC000614847671 355989497 /nfs/dbraw/zinc/98/94/97/355989497.db2.gz NEGJIBLJBKEUPU-GRYCIOLGSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000615313284 356020938 /nfs/dbraw/zinc/02/09/38/356020938.db2.gz HXGVKIMLBSDVCE-MGPQQGTHSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(NC(N)=O)CC1 ZINC000617506245 356139778 /nfs/dbraw/zinc/13/97/78/356139778.db2.gz GWHWDPINMOWWRV-NSHDSACASA-N 1 3 299.419 -0.425 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(NC(N)=O)CC1 ZINC000617506245 356139780 /nfs/dbraw/zinc/13/97/80/356139780.db2.gz GWHWDPINMOWWRV-NSHDSACASA-N 1 3 299.419 -0.425 20 0 CBADHO COC[C@@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506696 356139866 /nfs/dbraw/zinc/13/98/66/356139866.db2.gz WLTPAERYEPKDSY-GXTWGEPZSA-N 1 3 289.420 -0.228 20 0 CBADHO COC[C@@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506696 356139868 /nfs/dbraw/zinc/13/98/68/356139868.db2.gz WLTPAERYEPKDSY-GXTWGEPZSA-N 1 3 289.420 -0.228 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000619898074 356230813 /nfs/dbraw/zinc/23/08/13/356230813.db2.gz QFRSMCCAHRWQOY-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000619898074 356230819 /nfs/dbraw/zinc/23/08/19/356230819.db2.gz QFRSMCCAHRWQOY-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295291 356267073 /nfs/dbraw/zinc/26/70/73/356267073.db2.gz CYDDITNLXUKMQK-NWDGAFQWSA-N 1 3 257.378 -0.115 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295291 356267075 /nfs/dbraw/zinc/26/70/75/356267075.db2.gz CYDDITNLXUKMQK-NWDGAFQWSA-N 1 3 257.378 -0.115 20 0 CBADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CNCCO1 ZINC000621665117 356280132 /nfs/dbraw/zinc/28/01/32/356280132.db2.gz QVQRBGAZXBMAIW-NWDGAFQWSA-N 1 3 255.362 -0.129 20 0 CBADHO CN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621838100 356288818 /nfs/dbraw/zinc/28/88/18/356288818.db2.gz XNIYMTADMPNFPC-IAQYHMDHSA-N 1 3 294.399 -0.463 20 0 CBADHO CN(CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621839030 356289113 /nfs/dbraw/zinc/28/91/13/356289113.db2.gz MWLGLXLBHQYBGL-IAQYHMDHSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH+](C)[C@@H](CNc1nc(N)nc(N)n1)c1cccc(F)c1 ZINC000623799850 356376270 /nfs/dbraw/zinc/37/62/70/356376270.db2.gz PRXPNHIRMYTADD-JTQLQIEISA-N 1 3 291.334 -0.027 20 0 CBADHO CCCC[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623868793 356380691 /nfs/dbraw/zinc/38/06/91/356380691.db2.gz HORFBACBUMWCSA-UHFFFAOYSA-N 1 3 265.365 -0.205 20 0 CBADHO C[C@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623991985 356386304 /nfs/dbraw/zinc/38/63/04/356386304.db2.gz YIDAIAWDPFAGMB-JGVFFNPUSA-N 1 3 251.338 -0.384 20 0 CBADHO C[C@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623991985 356386306 /nfs/dbraw/zinc/38/63/06/356386306.db2.gz YIDAIAWDPFAGMB-JGVFFNPUSA-N 1 3 251.338 -0.384 20 0 CBADHO C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623991984 356386727 /nfs/dbraw/zinc/38/67/27/356386727.db2.gz YIDAIAWDPFAGMB-HTQZYQBOSA-N 1 3 251.338 -0.384 20 0 CBADHO C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623991984 356386731 /nfs/dbraw/zinc/38/67/31/356386731.db2.gz YIDAIAWDPFAGMB-HTQZYQBOSA-N 1 3 251.338 -0.384 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024286 356390992 /nfs/dbraw/zinc/39/09/92/356390992.db2.gz CENMGEMHCIFOAI-SFYZADRCSA-N 1 3 251.338 -0.527 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024286 356390995 /nfs/dbraw/zinc/39/09/95/356390995.db2.gz CENMGEMHCIFOAI-SFYZADRCSA-N 1 3 251.338 -0.527 20 0 CBADHO C[C@H](CCNc1nc(N)nc(N)n1)[NH+]1CCCCC1 ZINC000624099549 356397042 /nfs/dbraw/zinc/39/70/42/356397042.db2.gz VENDWHXSUQTFPI-SECBINFHSA-N 1 3 265.365 -0.205 20 0 CBADHO Nc1nc(N)nc(NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000624411191 356421119 /nfs/dbraw/zinc/42/11/19/356421119.db2.gz YRYMQTNNFIBYRW-UHFFFAOYSA-N 1 3 277.376 -0.347 20 0 CBADHO C[N@@H+]1CCC[C@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624245436 356406189 /nfs/dbraw/zinc/40/61/89/356406189.db2.gz DFOCBZXKKNZBNT-LBPRGKRZSA-N 1 3 263.349 -0.381 20 0 CBADHO C[N@H+]1CCC[C@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624245436 356406192 /nfs/dbraw/zinc/40/61/92/356406192.db2.gz DFOCBZXKKNZBNT-LBPRGKRZSA-N 1 3 263.349 -0.381 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626950231 356558614 /nfs/dbraw/zinc/55/86/14/356558614.db2.gz NIAQDXRICWTMDL-NSHDSACASA-N 1 3 258.366 -0.255 20 0 CBADHO CN(CCOCC[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000626978904 356562611 /nfs/dbraw/zinc/56/26/11/356562611.db2.gz MQDDCRMJXWEOOO-LLVKDONJSA-N 1 3 270.377 -0.160 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOCCN(C)C ZINC000627019408 356568464 /nfs/dbraw/zinc/56/84/64/356568464.db2.gz ZUNYGAXVJQTTJO-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1 ZINC000627134717 356587825 /nfs/dbraw/zinc/58/78/25/356587825.db2.gz AYULDCRHBKZQEE-IJLUTSLNSA-N 1 3 270.377 -0.162 20 0 CBADHO [NH3+]C1(CNC(=O)N2CCN3CCC2CC3)CCOCC1 ZINC000627148461 356588854 /nfs/dbraw/zinc/58/88/54/356588854.db2.gz DLEAZWJEYNNAAB-UHFFFAOYSA-N 1 3 282.388 -0.016 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000627171394 356592968 /nfs/dbraw/zinc/59/29/68/356592968.db2.gz UZWRAMHGZIQAEG-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000627171210 356593052 /nfs/dbraw/zinc/59/30/52/356593052.db2.gz RLNSBQHZNOULAH-MNOVXSKESA-N 1 3 258.366 -0.386 20 0 CBADHO C[NH2+]CCOCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000627171075 356593345 /nfs/dbraw/zinc/59/33/45/356593345.db2.gz PVXYDKJMFCAYRZ-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627082138 356577439 /nfs/dbraw/zinc/57/74/39/356577439.db2.gz COFPWILPWDNWKH-WDEREUQCSA-N 1 3 258.366 -0.338 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000627174461 356594462 /nfs/dbraw/zinc/59/44/62/356594462.db2.gz OQQCZNXWCJAOML-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C[NH2+]1 ZINC000627101321 356582662 /nfs/dbraw/zinc/58/26/62/356582662.db2.gz BKDQJOCULUFISR-MXWKQRLJSA-N 1 3 256.350 -0.586 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000627174460 356594510 /nfs/dbraw/zinc/59/45/10/356594510.db2.gz OQQCZNXWCJAOML-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO C[C@@H]1CN(C(=O)NCCOCCC[NH3+])[C@H](C)CN1 ZINC000627219091 356608062 /nfs/dbraw/zinc/60/80/62/356608062.db2.gz PHGCMXMEZDEJMU-GHMZBOCLSA-N 1 3 258.366 -0.256 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627226035 356610063 /nfs/dbraw/zinc/61/00/63/356610063.db2.gz FHCTWZZUVXLIQV-QWRGUYRKSA-N 1 3 256.350 -0.550 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCO1 ZINC000627225706 356610094 /nfs/dbraw/zinc/61/00/94/356610094.db2.gz AYULDCRHBKZQEE-SRVKXCTJSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000627244917 356610932 /nfs/dbraw/zinc/61/09/32/356610932.db2.gz ABFVGRIMIGKOLF-RWMBFGLXSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000627245574 356611181 /nfs/dbraw/zinc/61/11/81/356611181.db2.gz QBHMQHZNQXSENB-FTYKPCCVSA-N 1 3 292.387 -0.393 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000627244918 356611483 /nfs/dbraw/zinc/61/14/83/356611483.db2.gz ABFVGRIMIGKOLF-YNEHKIRRSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)NCC2(O)CCN(C)CC2)C[NH2+]1 ZINC000627198116 356603843 /nfs/dbraw/zinc/60/38/43/356603843.db2.gz IQQXFDCSOSUZLZ-RYUDHWBXSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)C[NH2+]1 ZINC000627198115 356604130 /nfs/dbraw/zinc/60/41/30/356604130.db2.gz IQQXFDCSOSUZLZ-NWDGAFQWSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C[NH2+]1 ZINC000627205205 356604470 /nfs/dbraw/zinc/60/44/70/356604470.db2.gz NXFOXALNHJQOJS-WZRBSPASSA-N 1 3 270.377 -0.507 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)C[NH2+]1 ZINC000627205204 356604612 /nfs/dbraw/zinc/60/46/12/356604612.db2.gz NXFOXALNHJQOJS-NTZNESFSSA-N 1 3 270.377 -0.507 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627358355 356631371 /nfs/dbraw/zinc/63/13/71/356631371.db2.gz GRALAZAWPNNAKZ-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000627357243 356631402 /nfs/dbraw/zinc/63/14/02/356631402.db2.gz BCVFBOJNWOQCTP-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627293196 356620828 /nfs/dbraw/zinc/62/08/28/356620828.db2.gz NJQZQEYVLGNVJD-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627293193 356620859 /nfs/dbraw/zinc/62/08/59/356620859.db2.gz NJQZQEYVLGNVJD-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000627291620 356620867 /nfs/dbraw/zinc/62/08/67/356620867.db2.gz YVLMPQXBEFFUFG-NWDGAFQWSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627320999 356625640 /nfs/dbraw/zinc/62/56/40/356625640.db2.gz ZXBQSPZFIBRNKA-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCC1 ZINC000627341821 356629099 /nfs/dbraw/zinc/62/90/99/356629099.db2.gz PXYNMWRNDNFQBR-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425237 356644492 /nfs/dbraw/zinc/64/44/92/356644492.db2.gz IZEVYQFQXKHYLK-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627428497 356645342 /nfs/dbraw/zinc/64/53/42/356645342.db2.gz HJURYDLFIBJUDE-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627428963 356645614 /nfs/dbraw/zinc/64/56/14/356645614.db2.gz TWGPGXVXDZJOKC-UPJWGTAASA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000627456258 356649312 /nfs/dbraw/zinc/64/93/12/356649312.db2.gz GKCZGVQEEIWTGJ-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398678 356638961 /nfs/dbraw/zinc/63/89/61/356638961.db2.gz TWANVDXTVMUFGA-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398678 356638964 /nfs/dbraw/zinc/63/89/64/356638964.db2.gz TWANVDXTVMUFGA-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCC1 ZINC000627506965 356661691 /nfs/dbraw/zinc/66/16/91/356661691.db2.gz TVGDKMPXYFTYHI-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507292 356661728 /nfs/dbraw/zinc/66/17/28/356661728.db2.gz LDSLLELSIJQIGI-GHMZBOCLSA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627478695 356653840 /nfs/dbraw/zinc/65/38/40/356653840.db2.gz QSHUKVFCFPDCJG-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627478694 356654001 /nfs/dbraw/zinc/65/40/01/356654001.db2.gz QSHUKVFCFPDCJG-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000627499445 356658498 /nfs/dbraw/zinc/65/84/98/356658498.db2.gz NCGOVOOMLHCINK-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)CN1CCN(C)CC1 ZINC000629559561 356779870 /nfs/dbraw/zinc/77/98/70/356779870.db2.gz BGMANNXDTFKKEB-HOTGVXAUSA-N 1 3 298.475 -0.084 20 0 CBADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)CN1CCN(C)CC1 ZINC000629559562 356779893 /nfs/dbraw/zinc/77/98/93/356779893.db2.gz BGMANNXDTFKKEB-HZPDHXFCSA-N 1 3 298.475 -0.084 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000629512167 356774651 /nfs/dbraw/zinc/77/46/51/356774651.db2.gz BKLNIQPWLYAJDQ-SRVKXCTJSA-N 1 3 254.378 -0.204 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCC[C@@H]1N ZINC000629512167 356774655 /nfs/dbraw/zinc/77/46/55/356774655.db2.gz BKLNIQPWLYAJDQ-SRVKXCTJSA-N 1 3 254.378 -0.204 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000629615188 356788320 /nfs/dbraw/zinc/78/83/20/356788320.db2.gz SGAFKGJNEJHBAV-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000629653099 356788872 /nfs/dbraw/zinc/78/88/72/356788872.db2.gz NBKFQMJAETVFQE-PSASIEDQSA-N 1 3 251.334 -0.272 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000629798845 356795302 /nfs/dbraw/zinc/79/53/02/356795302.db2.gz LSQHJNDNRLSSBN-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000629798845 356795306 /nfs/dbraw/zinc/79/53/06/356795306.db2.gz LSQHJNDNRLSSBN-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO OCCCN1CCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583879 356784069 /nfs/dbraw/zinc/78/40/69/356784069.db2.gz JWDBIXKBPHEVSM-GJZGRUSLSA-N 1 3 285.432 -0.121 20 0 CBADHO OC[C@H](CNC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000629583527 356784287 /nfs/dbraw/zinc/78/42/87/356784287.db2.gz BTYYEIGUDHFATK-RDBSUJKOSA-N 1 3 272.389 -0.322 20 0 CBADHO CO[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365422 356838786 /nfs/dbraw/zinc/83/87/86/356838786.db2.gz HVRABPORTCOKDV-RWMBFGLXSA-N 1 3 269.389 -0.055 20 0 CBADHO CO[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365421 356838958 /nfs/dbraw/zinc/83/89/58/356838958.db2.gz HVRABPORTCOKDV-FRRDWIJNSA-N 1 3 269.389 -0.055 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)[C@@](C)(C[NH3+])C1 ZINC000630373478 356840174 /nfs/dbraw/zinc/84/01/74/356840174.db2.gz KGSPWAYVQFIZDN-DKCNOQQISA-N 1 3 265.304 -0.066 20 0 CBADHO CN(C)CCNC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000630409469 356845067 /nfs/dbraw/zinc/84/50/67/356845067.db2.gz SHGDNYXPDASEGN-RYUDHWBXSA-N 1 3 284.404 -0.632 20 0 CBADHO C[NH2+]C[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631904552 356920130 /nfs/dbraw/zinc/92/01/30/356920130.db2.gz QYWGQWXOQLIKKH-LLVKDONJSA-N 1 3 263.407 -0.191 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631932566 356926301 /nfs/dbraw/zinc/92/63/01/356926301.db2.gz WFAUHTPWQUXWIT-WDEREUQCSA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCCN(C)C ZINC000631934960 356927149 /nfs/dbraw/zinc/92/71/49/356927149.db2.gz OGQPVEKKTYMKCE-QWRGUYRKSA-N 1 3 263.407 -0.145 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCCN(C)C ZINC000631936770 356928379 /nfs/dbraw/zinc/92/83/79/356928379.db2.gz LQGIXCVMMCKKCP-QWRGUYRKSA-N 1 3 281.397 -0.100 20 0 CBADHO CN(C)CCCS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000631952373 356932574 /nfs/dbraw/zinc/93/25/74/356932574.db2.gz FWBWUNULKWLUAO-UHFFFAOYSA-N 1 3 261.391 -0.391 20 0 CBADHO O=S(=O)(CCCN1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631968412 356936731 /nfs/dbraw/zinc/93/67/31/356936731.db2.gz FCWLVZVJMSLUJZ-RYUDHWBXSA-N 1 3 273.402 -0.152 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086763 357041593 /nfs/dbraw/zinc/04/15/93/357041593.db2.gz ZSTYHSOOFNWJIK-STQMWFEESA-N 1 3 294.399 -0.498 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633087428 357042038 /nfs/dbraw/zinc/04/20/38/357042038.db2.gz KAKYKHNSLFRJIJ-XQQFMLRXSA-N 1 3 294.399 -0.498 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1C ZINC000633095340 357044657 /nfs/dbraw/zinc/04/46/57/357044657.db2.gz UVGCQVCAZJKCBK-VOAKCMCISA-N 1 3 294.399 -0.500 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633099265 357045533 /nfs/dbraw/zinc/04/55/33/357045533.db2.gz SQAWOOFKDQCARC-TXEJJXNPSA-N 1 3 294.399 -0.498 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000633115908 357049496 /nfs/dbraw/zinc/04/94/96/357049496.db2.gz NCKUYPGNWNFTKC-VXGBXAGGSA-N 1 3 282.388 -0.511 20 0 CBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1nnc[nH]1 ZINC000633613921 357075093 /nfs/dbraw/zinc/07/50/93/357075093.db2.gz HUKQHVQQROEWIU-NSHDSACASA-N 1 3 282.392 -0.265 20 0 CBADHO COCCNCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750257 357132630 /nfs/dbraw/zinc/13/26/30/357132630.db2.gz RNASVQZJEZMXPE-BETUJISGSA-N 1 3 255.362 -0.320 20 0 CBADHO C[C@@]1(CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC[NH2+]C1 ZINC000634999461 357142211 /nfs/dbraw/zinc/14/22/11/357142211.db2.gz UYSXVDRIGIXKQP-MCIONIFRSA-N 1 3 265.357 -0.029 20 0 CBADHO CCS(=O)(=O)NCCC[NH2+]CC12CC(C1)CN2 ZINC000634995726 357142498 /nfs/dbraw/zinc/14/24/98/357142498.db2.gz NDSOGSNRKDAXRY-UHFFFAOYSA-N 1 3 261.391 -0.343 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000635928430 357234698 /nfs/dbraw/zinc/23/46/98/357234698.db2.gz GHXHJHYGGWPXIK-MCIONIFRSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000635928430 357234702 /nfs/dbraw/zinc/23/47/02/357234702.db2.gz GHXHJHYGGWPXIK-MCIONIFRSA-N 1 3 281.400 -0.004 20 0 CBADHO C[C@H](CNC(=O)[C@@H](C)N(C)C)C[NH+]1CCN(C)CC1 ZINC000635558523 357176256 /nfs/dbraw/zinc/17/62/56/357176256.db2.gz AIIWVSKPJUUJHC-CHWSQXEVSA-N 1 3 270.421 -0.064 20 0 CBADHO C[N@@H+]1CCC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636624529 357294248 /nfs/dbraw/zinc/29/42/48/357294248.db2.gz VWGRJRAUZTUXGJ-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636624529 357294249 /nfs/dbraw/zinc/29/42/49/357294249.db2.gz VWGRJRAUZTUXGJ-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636081084 357261892 /nfs/dbraw/zinc/26/18/92/357261892.db2.gz TVONOUGPOBONEQ-LBPRGKRZSA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCNC1=O ZINC000636160288 357268430 /nfs/dbraw/zinc/26/84/30/357268430.db2.gz CRWDPQICWMDHSQ-SWLSCSKDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCNC1=O ZINC000636160288 357268431 /nfs/dbraw/zinc/26/84/31/357268431.db2.gz CRWDPQICWMDHSQ-SWLSCSKDSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC000636181971 357269250 /nfs/dbraw/zinc/26/92/50/357269250.db2.gz ITVPMZIXPNKTTR-UHFFFAOYSA-N 1 3 298.431 -0.193 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636287646 357276720 /nfs/dbraw/zinc/27/67/20/357276720.db2.gz KORUXUYCCISLCK-VXGBXAGGSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636287646 357276723 /nfs/dbraw/zinc/27/67/23/357276723.db2.gz KORUXUYCCISLCK-VXGBXAGGSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636291438 357277680 /nfs/dbraw/zinc/27/76/80/357277680.db2.gz KORUXUYCCISLCK-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636291438 357277682 /nfs/dbraw/zinc/27/76/82/357277682.db2.gz KORUXUYCCISLCK-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO CCCN(C(=O)CN1CCNCC1)[C@@H]1CC[NH2+]C1 ZINC000637832398 357372594 /nfs/dbraw/zinc/37/25/94/357372594.db2.gz ICNRSYKVLKVPGA-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO CC[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)N(C)C ZINC000637831663 357373025 /nfs/dbraw/zinc/37/30/25/357373025.db2.gz BHRXVWQUZAKTHH-GFCCVEGCSA-N 1 3 256.394 -0.310 20 0 CBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923821 357312571 /nfs/dbraw/zinc/31/25/71/357312571.db2.gz ZUEWBNAACWXYMG-BNOWGMLFSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923821 357312578 /nfs/dbraw/zinc/31/25/78/357312578.db2.gz ZUEWBNAACWXYMG-BNOWGMLFSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923890 357312811 /nfs/dbraw/zinc/31/28/11/357312811.db2.gz ZUEWBNAACWXYMG-XBFCOCLRSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923890 357312814 /nfs/dbraw/zinc/31/28/14/357312814.db2.gz ZUEWBNAACWXYMG-XBFCOCLRSA-N 1 3 296.415 -0.165 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CN1CCNCC1 ZINC000637848892 357376142 /nfs/dbraw/zinc/37/61/42/357376142.db2.gz LKHLOWZIUHTJFG-CYBMUJFWSA-N 1 3 256.394 -0.229 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)CCN(C)CCOCCOC)C1 ZINC000637801426 357366672 /nfs/dbraw/zinc/36/66/72/357366672.db2.gz KBIKHXCRKZLZCO-CYBMUJFWSA-N 1 3 287.404 -0.208 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH3+] ZINC000637801603 357367042 /nfs/dbraw/zinc/36/70/42/357367042.db2.gz HUGPPDFRSXAEJD-CYBMUJFWSA-N 1 3 264.373 -0.089 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)[C@]2(COC)CCCCN2)C1 ZINC000637802526 357367048 /nfs/dbraw/zinc/36/70/48/357367048.db2.gz SEXQKXSAUFRLJB-DGCLKSJQSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000637809229 357367825 /nfs/dbraw/zinc/36/78/25/357367825.db2.gz NJZFPHWJKDBXNH-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCn1cc(C(=O)NCCN2CC[NH2+]CC2)cn1 ZINC000637811558 357368777 /nfs/dbraw/zinc/36/87/77/357368777.db2.gz QDDNIFSJDNAORH-UHFFFAOYSA-N 1 3 294.403 -0.920 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811494 357368786 /nfs/dbraw/zinc/36/87/86/357368786.db2.gz MFKOGCVFGJJSNJ-ZIAGYGMSSA-N 1 3 276.384 -0.076 20 0 CBADHO [NH3+]CC[C@@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000638232178 357440611 /nfs/dbraw/zinc/44/06/11/357440611.db2.gz DTAOHCQWTCZNTF-LBPRGKRZSA-N 1 3 254.378 -0.379 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235498 357441256 /nfs/dbraw/zinc/44/12/56/357441256.db2.gz WSFHZYJCPKUBQB-CQSZACIVSA-N 1 3 266.389 -0.506 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243641 357442354 /nfs/dbraw/zinc/44/23/54/357442354.db2.gz CDNAKTGIVIOKQY-LLVKDONJSA-N 1 3 252.362 -0.850 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)C1CC[NH+](C)CC1 ZINC000638092124 357414277 /nfs/dbraw/zinc/41/42/77/357414277.db2.gz UMXBYDKLFYDDBG-ADEWGFFLSA-N 1 3 255.362 -0.051 20 0 CBADHO COCCN(C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638091429 357414408 /nfs/dbraw/zinc/41/44/08/357414408.db2.gz NYNBEGGFEUUGLN-ZDUSSCGKSA-N 1 3 273.377 -0.564 20 0 CBADHO COCCN(C)CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638090927 357414776 /nfs/dbraw/zinc/41/47/76/357414776.db2.gz IWSNMZIWECFPPD-YPMHNXCESA-N 1 3 273.377 -0.552 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102067 357418166 /nfs/dbraw/zinc/41/81/66/357418166.db2.gz XJVZOWRBISDELL-UKRRQHHQSA-N 1 3 299.415 -0.031 20 0 CBADHO COC1CCN(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638125166 357421613 /nfs/dbraw/zinc/42/16/13/357421613.db2.gz IMXRXCHCYFATRW-OAHLLOKOSA-N 1 3 299.415 -0.031 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246692 357442815 /nfs/dbraw/zinc/44/28/15/357442815.db2.gz DGCNNSJWKNHVRM-UXCLJVHYSA-N 1 3 259.325 -0.430 20 0 CBADHO CCN1CCN(CCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137726 357424302 /nfs/dbraw/zinc/42/43/02/357424302.db2.gz MRJWGFSDARVIJS-UHFFFAOYSA-N 1 3 297.447 -0.965 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136827 357424432 /nfs/dbraw/zinc/42/44/32/357424432.db2.gz BNJFVHAUEHVUGM-MELADBBJSA-N 1 3 298.431 -0.508 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CN1C1CC1 ZINC000638134942 357424485 /nfs/dbraw/zinc/42/44/85/357424485.db2.gz QNPMKKGYQCDZSC-NWDGAFQWSA-N 1 3 266.389 -0.367 20 0 CBADHO CN1CCN(CCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137099 357424503 /nfs/dbraw/zinc/42/45/03/357424503.db2.gz RKMNIZGNQWYUKG-HNNXBMFYSA-N 1 3 298.431 -0.504 20 0 CBADHO O=C(CN1CCNCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141017 357425099 /nfs/dbraw/zinc/42/50/99/357425099.db2.gz DIIGJQWYJRAXJR-AWEZNQCLSA-N 1 3 280.416 -0.118 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCCN1 ZINC000638152014 357426955 /nfs/dbraw/zinc/42/69/55/357426955.db2.gz CFZSBIRHVNOEKD-YPMHNXCESA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCNCC3)C[C@@H]21 ZINC000638164982 357429376 /nfs/dbraw/zinc/42/93/76/357429376.db2.gz LBSAHBXVWJRKOP-RWMBFGLXSA-N 1 3 266.389 -0.523 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638164888 357429583 /nfs/dbraw/zinc/42/95/83/357429583.db2.gz MVCIVVOBECIEOX-KQSJRHEJSA-N 1 3 253.346 -0.312 20 0 CBADHO CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCN1 ZINC000638196837 357433462 /nfs/dbraw/zinc/43/34/62/357433462.db2.gz OIACGENBJWEUJN-GFCCVEGCSA-N 1 3 254.378 -0.652 20 0 CBADHO CC[C@@H]1CN(C(=O)CN2CCNCC2)CC[C@H]1[NH3+] ZINC000638202716 357434455 /nfs/dbraw/zinc/43/44/55/357434455.db2.gz JECGMLSZIKGRMU-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213778 357435431 /nfs/dbraw/zinc/43/54/31/357435431.db2.gz IXRQRIIILWWFDH-OKILXGFUSA-N 1 3 299.415 -0.351 20 0 CBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN1CCNCC1 ZINC000637864670 357379415 /nfs/dbraw/zinc/37/94/15/357379415.db2.gz PGJAUZCDLCOYOI-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCO1 ZINC000637867156 357380163 /nfs/dbraw/zinc/38/01/63/357380163.db2.gz RXPCDJSAIVJYOF-RNJOBUHISA-N 1 3 283.372 -0.576 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CCO1 ZINC000637867154 357380594 /nfs/dbraw/zinc/38/05/94/357380594.db2.gz RXPCDJSAIVJYOF-CYDGBPFRSA-N 1 3 283.372 -0.576 20 0 CBADHO CO[C@]1(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571633 357495428 /nfs/dbraw/zinc/49/54/28/357495428.db2.gz NQDBEFVAQUYFAN-HIFRSBDPSA-N 1 3 299.415 -0.031 20 0 CBADHO CO[C@]1(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000638571633 357495435 /nfs/dbraw/zinc/49/54/35/357495435.db2.gz NQDBEFVAQUYFAN-HIFRSBDPSA-N 1 3 299.415 -0.031 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCCNC(=O)C2)C1 ZINC000638571387 357495689 /nfs/dbraw/zinc/49/56/89/357495689.db2.gz PQRSZMWJFKLSGD-QWHCGFSZSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H]2CCCNC(=O)C2)C1 ZINC000638571387 357495690 /nfs/dbraw/zinc/49/56/90/357495690.db2.gz PQRSZMWJFKLSGD-QWHCGFSZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638575831 357496474 /nfs/dbraw/zinc/49/64/74/357496474.db2.gz SGGHKDPFKCSUHP-ZDUSSCGKSA-N 1 3 273.377 -0.503 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CC(F)F ZINC000638592909 357499405 /nfs/dbraw/zinc/49/94/05/357499405.db2.gz VEQRUIFWRSDTKW-QMMMGPOBSA-N 1 3 253.293 -0.337 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000638591293 357499461 /nfs/dbraw/zinc/49/94/61/357499461.db2.gz GVSBTZXIXFZALY-JTQLQIEISA-N 1 3 279.331 -0.074 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262797 357444864 /nfs/dbraw/zinc/44/48/64/357444864.db2.gz NTSGAVKHVCLAKV-KBPBESRZSA-N 1 3 280.416 -0.260 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)c1cnn(CCN(C)C)c1 ZINC000638258430 357445464 /nfs/dbraw/zinc/44/54/64/357445464.db2.gz HEWSWLHRMMNQDI-LLVKDONJSA-N 1 3 253.350 -0.088 20 0 CBADHO N[C@H]1CCO[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638268644 357447477 /nfs/dbraw/zinc/44/74/77/357447477.db2.gz RWTXAXVFWBAZMK-LYFYHCNISA-N 1 3 255.240 -0.502 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCOCCN(C)C)C1 ZINC000638290494 357451378 /nfs/dbraw/zinc/45/13/78/357451378.db2.gz HOOCEOOHUQNNIX-DGCLKSJQSA-N 1 3 273.377 -0.552 20 0 CBADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000638338164 357459061 /nfs/dbraw/zinc/45/90/61/357459061.db2.gz SIVLVBMYGASLEG-UONOGXRCSA-N 1 3 293.367 -0.330 20 0 CBADHO COC[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCCCN1 ZINC000638354430 357461337 /nfs/dbraw/zinc/46/13/37/357461337.db2.gz MIKHULOJFPQMDA-AWEZNQCLSA-N 1 3 285.388 -0.543 20 0 CBADHO C[C@H]1CCCN(C(=O)CN2CCNCC2)[C@@H]1CC[NH3+] ZINC000638391624 357466842 /nfs/dbraw/zinc/46/68/42/357466842.db2.gz XHVZJAMNHMOGGL-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(C)CNCCO1 ZINC000638409172 357470923 /nfs/dbraw/zinc/47/09/23/357470923.db2.gz MUYJTEYUADGWTK-CQSZACIVSA-N 1 3 286.420 -0.635 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638413647 357471530 /nfs/dbraw/zinc/47/15/30/357471530.db2.gz CESRQDXKEDOZMC-LBPRGKRZSA-N 1 3 282.388 -0.488 20 0 CBADHO C[C@H]([NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000638413957 357471948 /nfs/dbraw/zinc/47/19/48/357471948.db2.gz JSHDTIIBIZBYQK-JTQLQIEISA-N 1 3 258.366 -0.798 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)c1cnn(CCN(C)C)c1 ZINC000638433197 357475840 /nfs/dbraw/zinc/47/58/40/357475840.db2.gz RUFDIMNPCFPSSZ-SNVBAGLBSA-N 1 3 253.350 -0.218 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCOC3(CNC3)C2)C1 ZINC000638439250 357477626 /nfs/dbraw/zinc/47/76/26/357477626.db2.gz DGRSSXKJDLNFEV-NSHDSACASA-N 1 3 253.346 -0.471 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCOC3(CNC3)C2)C1 ZINC000638439250 357477629 /nfs/dbraw/zinc/47/76/29/357477629.db2.gz DGRSSXKJDLNFEV-NSHDSACASA-N 1 3 253.346 -0.471 20 0 CBADHO CNC(=O)CCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638444068 357479101 /nfs/dbraw/zinc/47/91/01/357479101.db2.gz WSOUTFVSENWTQN-UHFFFAOYSA-N 1 3 257.378 -0.053 20 0 CBADHO CC(C)[C@@H]1CNCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638484130 357482870 /nfs/dbraw/zinc/48/28/70/357482870.db2.gz OLSIWTPYJYPMDA-RYUDHWBXSA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510287 357490969 /nfs/dbraw/zinc/49/09/69/357490969.db2.gz WHLSLBFBYJMZGA-JQWIXIFHSA-N 1 3 282.388 -0.513 20 0 CBADHO CC1(OCC(=O)N[C@H]2CC[NH2+]C23CCC3)CNC1 ZINC000638507199 357491089 /nfs/dbraw/zinc/49/10/89/357491089.db2.gz BUSOXQSDXBOWTA-JTQLQIEISA-N 1 3 253.346 -0.234 20 0 CBADHO COC[C@@]1(C(=O)N(C)CCOCC[NH3+])CCCCN1 ZINC000638674664 357519044 /nfs/dbraw/zinc/51/90/44/357519044.db2.gz XRQJOGCWGCYAEF-CYBMUJFWSA-N 1 3 273.377 -0.421 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674310 357519149 /nfs/dbraw/zinc/51/91/49/357519149.db2.gz IDDJBAVIHQUGRZ-BXUZGUMPSA-N 1 3 287.404 -0.047 20 0 CBADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CN2CCC1CC2 ZINC000638853784 357539208 /nfs/dbraw/zinc/53/92/08/357539208.db2.gz JSYINICGKDFAGK-CHWSQXEVSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CN2CCC1CC2 ZINC000638853786 357539288 /nfs/dbraw/zinc/53/92/88/357539288.db2.gz JSYINICGKDFAGK-QWHCGFSZSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000638926220 357544495 /nfs/dbraw/zinc/54/44/95/357544495.db2.gz WYGMTNKPXSXPKM-RWMBFGLXSA-N 1 3 294.399 -0.641 20 0 CBADHO NC1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CC1 ZINC000638987536 357549320 /nfs/dbraw/zinc/54/93/20/357549320.db2.gz UJUCDHZCPRVDEZ-UHFFFAOYSA-N 1 3 261.329 -0.079 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639028240 357555178 /nfs/dbraw/zinc/55/51/78/357555178.db2.gz XQOGDUZFFDFUPO-UPJWGTAASA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)C(=O)CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766930 357597672 /nfs/dbraw/zinc/59/76/72/357597672.db2.gz PSVSHOJJWDGGBN-ZDUSSCGKSA-N 1 3 257.378 -0.147 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000641194282 357678265 /nfs/dbraw/zinc/67/82/65/357678265.db2.gz NSXYFCNMJCIKRT-QJPTWQEYSA-N 1 3 269.393 -0.459 20 0 CBADHO C[C@H]([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000641423399 357703684 /nfs/dbraw/zinc/70/36/84/357703684.db2.gz AJYADMHPSUFADF-LBPRGKRZSA-N 1 3 299.419 -0.375 20 0 CBADHO NS(=O)(=O)CCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641797657 357742525 /nfs/dbraw/zinc/74/25/25/357742525.db2.gz FEHKFJZKKUWZCU-GFCCVEGCSA-N 1 3 275.418 -0.014 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCC(=O)N1CCNCC1 ZINC000641802089 357743877 /nfs/dbraw/zinc/74/38/77/357743877.db2.gz HWMUYBRAZWIMPX-GHMZBOCLSA-N 1 3 254.378 -0.476 20 0 CBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000641802089 357743880 /nfs/dbraw/zinc/74/38/80/357743880.db2.gz HWMUYBRAZWIMPX-GHMZBOCLSA-N 1 3 254.378 -0.476 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000642330413 357753156 /nfs/dbraw/zinc/75/31/56/357753156.db2.gz GHRZFRIDMJURJN-RNJOBUHISA-N 1 3 298.431 -0.068 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642403968 357754319 /nfs/dbraw/zinc/75/43/19/357754319.db2.gz NXWRAQGXFANTLK-DGCLKSJQSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000642439451 357755338 /nfs/dbraw/zinc/75/53/38/357755338.db2.gz HOCCTWKMOSLWRV-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000642440137 357755542 /nfs/dbraw/zinc/75/55/42/357755542.db2.gz XANHMTGTWCNZEM-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642439400 357755628 /nfs/dbraw/zinc/75/56/28/357755628.db2.gz FODVLFBSAGHPTJ-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000642439515 357755758 /nfs/dbraw/zinc/75/57/58/357755758.db2.gz KFIKFNYNNYEPOJ-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000642698785 357759057 /nfs/dbraw/zinc/75/90/57/357759057.db2.gz PZOSRZMDYMJCSO-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642785800 357761830 /nfs/dbraw/zinc/76/18/30/357761830.db2.gz LLHHEJDQVQMKNJ-STQMWFEESA-N 1 3 294.399 -0.463 20 0 CBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785649 357762052 /nfs/dbraw/zinc/76/20/52/357762052.db2.gz AXYPCGJEWJNUGQ-OLZOCXBDSA-N 1 3 294.399 -0.560 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785657 357762216 /nfs/dbraw/zinc/76/22/16/357762216.db2.gz BWYCHDRDYUOSHP-OLZOCXBDSA-N 1 3 294.399 -0.545 20 0 CBADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785634 357762299 /nfs/dbraw/zinc/76/22/99/357762299.db2.gz ALMHKEZSHVJXPW-CYBMUJFWSA-N 1 3 294.399 -0.545 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785655 357762386 /nfs/dbraw/zinc/76/23/86/357762386.db2.gz BGZYXDYABOVZHF-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000642909369 357767542 /nfs/dbraw/zinc/76/75/42/357767542.db2.gz LMZPSTXATZKJSE-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919023 357770537 /nfs/dbraw/zinc/77/05/37/357770537.db2.gz LEYVVQSFLJSRKI-UHFFFAOYSA-N 1 3 282.388 -0.591 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642948197 357772746 /nfs/dbraw/zinc/77/27/46/357772746.db2.gz NVHKJKCFRWOQIY-AGIUHOORSA-N 1 3 296.415 -0.219 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000643471883 357784122 /nfs/dbraw/zinc/78/41/22/357784122.db2.gz NWWQRSBXMHBTND-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCN(C(=O)CN[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643472257 357784192 /nfs/dbraw/zinc/78/41/92/357784192.db2.gz MQNMNNDQBHVUIL-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N(C)C ZINC000424157188 295968773 /nfs/dbraw/zinc/96/87/73/295968773.db2.gz PNNWGKYQZVBTMG-WDEREUQCSA-N 1 3 280.376 -0.118 20 0 CBADHO CNC(=O)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000331558433 283352457 /nfs/dbraw/zinc/35/24/57/283352457.db2.gz GGBQXIYAIMVTRU-SNVBAGLBSA-N 1 3 268.361 -0.094 20 0 CBADHO COCCNCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574085501 334991023 /nfs/dbraw/zinc/99/10/23/334991023.db2.gz CBNYDOZHIHYXGM-CYBMUJFWSA-N 1 3 255.362 -0.176 20 0 CBADHO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CC2(N)CCC2)CC1 ZINC000342130241 216230386 /nfs/dbraw/zinc/23/03/86/216230386.db2.gz LWHSQBBAZNUAMJ-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000353113484 219897469 /nfs/dbraw/zinc/89/74/69/219897469.db2.gz QRLMCPFDTJFKHF-LBPRGKRZSA-N 1 3 286.420 -0.060 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH3+])CCC2)CC1=O ZINC000342606486 216430602 /nfs/dbraw/zinc/43/06/02/216430602.db2.gz MMBQZMOQXIWKIQ-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000574324613 335010621 /nfs/dbraw/zinc/01/06/21/335010621.db2.gz VTMJZQBADGXRQC-KOLCDFICSA-N 1 3 258.366 -0.942 20 0 CBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](N2CCCC2)C1 ZINC000037824272 296147777 /nfs/dbraw/zinc/14/77/77/296147777.db2.gz IEOVCMRUMLQUTG-FRRDWIJNSA-N 1 3 267.373 -0.204 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)O1 ZINC000094570982 372776155 /nfs/dbraw/zinc/77/61/55/372776155.db2.gz FGSSYTLYDMBKHK-WCQGTBRESA-N 1 3 253.346 -0.154 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CCOC2(CNC2)C1)C1CCCC1 ZINC000333192171 205106252 /nfs/dbraw/zinc/10/62/52/205106252.db2.gz ACNRTCPDUVKEQC-LBPRGKRZSA-N 1 3 282.388 -0.112 20 0 CBADHO C[C@H](N)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000167214040 372825779 /nfs/dbraw/zinc/82/57/79/372825779.db2.gz YDUYJYODIFSLOO-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000167214040 372825788 /nfs/dbraw/zinc/82/57/88/372825788.db2.gz YDUYJYODIFSLOO-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000166612261 372826493 /nfs/dbraw/zinc/82/64/93/372826493.db2.gz DTYIEBBCLNODOJ-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000166612261 372826504 /nfs/dbraw/zinc/82/65/04/372826504.db2.gz DTYIEBBCLNODOJ-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H](C(=O)N(C)C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648017 372841506 /nfs/dbraw/zinc/84/15/06/372841506.db2.gz SBEHYUKOSAJRTE-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO NC(C(=O)NCCC[NH+]1CCC(O)CC1)C(F)(F)F ZINC000353451156 220091904 /nfs/dbraw/zinc/09/19/04/220091904.db2.gz PRIHXRPIJHTYTC-SECBINFHSA-N 1 3 283.294 -0.161 20 0 CBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188763958 372851340 /nfs/dbraw/zinc/85/13/40/372851340.db2.gz JXLWRTBSTHCFGE-JTQLQIEISA-N 1 3 275.356 -0.024 20 0 CBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000188763958 372851346 /nfs/dbraw/zinc/85/13/46/372851346.db2.gz JXLWRTBSTHCFGE-JTQLQIEISA-N 1 3 275.356 -0.024 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](CN)OC ZINC000353463451 220097485 /nfs/dbraw/zinc/09/74/85/220097485.db2.gz VMKZGSCCTQVZBF-QWRGUYRKSA-N 1 3 261.366 -0.567 20 0 CBADHO COC[C@@]1(CNC(=O)C(C)S(C)(=O)=O)CCC[NH2+]1 ZINC000261592103 372906222 /nfs/dbraw/zinc/90/62/22/372906222.db2.gz YFFVJJGPPQWPLM-ONGXEEELSA-N 1 3 278.374 -0.696 20 0 CBADHO CN(C)CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000285972032 372950668 /nfs/dbraw/zinc/95/06/68/372950668.db2.gz HIADZHGVDNUEFB-SECBINFHSA-N 1 3 251.334 -0.222 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333399265 205287969 /nfs/dbraw/zinc/28/79/69/205287969.db2.gz PSXLHODEYUNWFB-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000344665811 373059748 /nfs/dbraw/zinc/05/97/48/373059748.db2.gz MMDFSURWQWSXBA-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648990 373067165 /nfs/dbraw/zinc/06/71/65/373067165.db2.gz GIBSPJTZIBINHW-NXEZZACHSA-N 1 3 266.345 -0.747 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342375000 373046912 /nfs/dbraw/zinc/04/69/12/373046912.db2.gz OFICRJFOHLLHPJ-RYUDHWBXSA-N 1 3 257.378 -0.122 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342375000 373046918 /nfs/dbraw/zinc/04/69/18/373046918.db2.gz OFICRJFOHLLHPJ-RYUDHWBXSA-N 1 3 257.378 -0.122 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000353553273 220154156 /nfs/dbraw/zinc/15/41/56/220154156.db2.gz QURMMSWGPDIBEB-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(N)CC2)C1 ZINC000353596358 220182174 /nfs/dbraw/zinc/18/21/74/220182174.db2.gz IRXLJVVIPOQSPW-SNVBAGLBSA-N 1 3 268.361 -0.819 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(N)CC2)C1 ZINC000353596358 220182178 /nfs/dbraw/zinc/18/21/78/220182178.db2.gz IRXLJVVIPOQSPW-SNVBAGLBSA-N 1 3 268.361 -0.819 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599584 220183513 /nfs/dbraw/zinc/18/35/13/220183513.db2.gz TZEMAHHVMPEYAQ-NWDGAFQWSA-N 1 3 284.404 -0.327 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599584 220183517 /nfs/dbraw/zinc/18/35/17/220183517.db2.gz TZEMAHHVMPEYAQ-NWDGAFQWSA-N 1 3 284.404 -0.327 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417442905 373628024 /nfs/dbraw/zinc/62/80/24/373628024.db2.gz WONWVULAMULHEQ-CHWSQXEVSA-N 1 3 284.404 -0.185 20 0 CBADHO CCN(CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000417432866 373629332 /nfs/dbraw/zinc/62/93/32/373629332.db2.gz UIWSFRJDBNRHGR-ZDUSSCGKSA-N 1 3 283.420 -0.327 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417095903 373629528 /nfs/dbraw/zinc/62/95/28/373629528.db2.gz UYLUQMRRBMWKID-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029679 373635566 /nfs/dbraw/zinc/63/55/66/373635566.db2.gz RTXLPUFYMNGGJM-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419996913 373646462 /nfs/dbraw/zinc/64/64/62/373646462.db2.gz OCWSSXUDIQXAKR-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420026134 373646717 /nfs/dbraw/zinc/64/67/17/373646717.db2.gz ZRHLFWRHPJIBNN-TUAOUCFPSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000423057750 373655292 /nfs/dbraw/zinc/65/52/92/373655292.db2.gz ANWFUYUEEXILHD-RYUDHWBXSA-N 1 3 284.404 -0.550 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423198958 373656897 /nfs/dbraw/zinc/65/68/97/373656897.db2.gz IUTJXWLBPXWZJS-STQMWFEESA-N 1 3 294.399 -0.367 20 0 CBADHO [NH3+][C@@H]1CCCC[C@H]1NCCC(=O)N1CCNCC1 ZINC000424283134 373664541 /nfs/dbraw/zinc/66/45/41/373664541.db2.gz AUNCTWBCXPVJTD-VXGBXAGGSA-N 1 3 254.378 -0.332 20 0 CBADHO N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000424283134 373664547 /nfs/dbraw/zinc/66/45/47/373664547.db2.gz AUNCTWBCXPVJTD-VXGBXAGGSA-N 1 3 254.378 -0.332 20 0 CBADHO CC[C@@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000514933932 373771086 /nfs/dbraw/zinc/77/10/86/373771086.db2.gz AIUIEOUJOPZCPJ-YNEHKIRRSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)C/C=C\C(=O)N(C)CCNC(=O)/C=C/C[NH+](C)C ZINC000493781343 373728529 /nfs/dbraw/zinc/72/85/29/373728529.db2.gz FGYMPHDIMQWMPU-FFELTBSMSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C/C=C/C(=O)NCCN(C)C(=O)/C=C\C[NH+](C)C ZINC000493781343 373728536 /nfs/dbraw/zinc/72/85/36/373728536.db2.gz FGYMPHDIMQWMPU-FFELTBSMSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCCN(C)C ZINC000516490626 373814723 /nfs/dbraw/zinc/81/47/23/373814723.db2.gz LHHOZJJIKJQYID-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCCN(C)C ZINC000516490626 373814731 /nfs/dbraw/zinc/81/47/31/373814731.db2.gz LHHOZJJIKJQYID-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000518753893 373821534 /nfs/dbraw/zinc/82/15/34/373821534.db2.gz UAUPDAUCLBJVSG-OLZOCXBDSA-N 1 3 294.399 -0.367 20 0 CBADHO CCN1CCC(NC(=O)CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000520819471 373834473 /nfs/dbraw/zinc/83/44/73/373834473.db2.gz BGABBVBXGDVPGO-CQSZACIVSA-N 1 3 298.431 -0.364 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000515302453 373782335 /nfs/dbraw/zinc/78/23/35/373782335.db2.gz UXBBQYFJWQVWBS-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000515302453 373782345 /nfs/dbraw/zinc/78/23/45/373782345.db2.gz UXBBQYFJWQVWBS-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO CC[C@H]1CN(C)CCN1C[C@H](O)C[N@H+](C)CCOC ZINC000521642447 373849475 /nfs/dbraw/zinc/84/94/75/373849475.db2.gz ZIDUCFAZMMSIBL-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[C@H]1CN(C)CCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000521642447 373849480 /nfs/dbraw/zinc/84/94/80/373849480.db2.gz ZIDUCFAZMMSIBL-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CN1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](CN)C1 ZINC000521986467 373853524 /nfs/dbraw/zinc/85/35/24/373853524.db2.gz HFWGIHKHBYPKQO-GXTWGEPZSA-N 1 3 283.420 -0.340 20 0 CBADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000522000161 373856323 /nfs/dbraw/zinc/85/63/23/373856323.db2.gz KORRPINCVVFNMW-CHWSQXEVSA-N 1 3 281.331 -0.027 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](CN)C1 ZINC000529347341 374008508 /nfs/dbraw/zinc/00/85/08/374008508.db2.gz CKYROCGWOICMMI-NWDGAFQWSA-N 1 3 281.404 -0.445 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529343579 374008681 /nfs/dbraw/zinc/00/86/81/374008681.db2.gz QFFWQPHQOXIBAJ-MNOVXSKESA-N 1 3 268.361 -0.441 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1COCCO1 ZINC000531118515 374117439 /nfs/dbraw/zinc/11/74/39/374117439.db2.gz GRNCCGKKOQYGNW-GFCCVEGCSA-N 1 3 273.377 -0.646 20 0 CBADHO CC(=O)N1CC(C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530522526 374084760 /nfs/dbraw/zinc/08/47/60/374084760.db2.gz GZKZZRFXIJBFGI-UHFFFAOYSA-N 1 3 284.404 -0.584 20 0 CBADHO C[NH+](C)[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1O ZINC000583762167 374366727 /nfs/dbraw/zinc/36/67/27/374366727.db2.gz MFMBVXZLMMGTNQ-RYUDHWBXSA-N 1 3 269.389 -0.148 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])C[C@@H]21 ZINC000577947009 374346629 /nfs/dbraw/zinc/34/66/29/374346629.db2.gz XURWOKMRMPBMKI-AGIUHOORSA-N 1 3 294.399 -0.511 20 0 CBADHO C[C@@H](CNC(=O)NC[C@@H]1CNCCO1)[N@H+](C)C1CC1 ZINC000578051314 374350632 /nfs/dbraw/zinc/35/06/32/374350632.db2.gz MDHAVEFYLSMQSO-JQWIXIFHSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@@H](CNC(=O)NC[C@@H]1CNCCO1)[N@@H+](C)C1CC1 ZINC000578051314 374350641 /nfs/dbraw/zinc/35/06/41/374350641.db2.gz MDHAVEFYLSMQSO-JQWIXIFHSA-N 1 3 270.377 -0.243 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000643794222 374422325 /nfs/dbraw/zinc/42/23/25/374422325.db2.gz 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/nfs/dbraw/zinc/60/03/78/374600378.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602939 374600385 /nfs/dbraw/zinc/60/03/85/374600385.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602939 374600394 /nfs/dbraw/zinc/60/03/94/374600394.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 1 3 271.405 -0.250 20 0 CBADHO CN1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645685042 374692535 /nfs/dbraw/zinc/69/25/35/374692535.db2.gz RJOPFPOOMSQYQN-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)[C@@]1(CNC(=O)COCC[NH3+])CCSC1 ZINC000646151515 374747050 /nfs/dbraw/zinc/74/70/50/374747050.db2.gz XNXIZOADHIDVDP-LLVKDONJSA-N 1 3 261.391 -0.485 20 0 CBADHO CN(C)[C@]1(CNC(=O)COCC[NH3+])CCSC1 ZINC000646151516 374747895 /nfs/dbraw/zinc/74/78/95/374747895.db2.gz XNXIZOADHIDVDP-NSHDSACASA-N 1 3 261.391 -0.485 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000646190300 374752931 /nfs/dbraw/zinc/75/29/31/374752931.db2.gz LCVGSXSNOBMWTC-ZDUSSCGKSA-N 1 3 286.420 -0.649 20 0 CBADHO COC1CCN(C(C)(C)CNC(=O)COCC[NH3+])CC1 ZINC000645951664 374716845 /nfs/dbraw/zinc/71/68/45/374716845.db2.gz YOJFTWKUWJQOGR-UHFFFAOYSA-N 1 3 287.404 -0.033 20 0 CBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNC2CC2)CC1 ZINC000645958638 374719119 /nfs/dbraw/zinc/71/91/19/374719119.db2.gz XJIMRQPEEHCHPN-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646003212 374724485 /nfs/dbraw/zinc/72/44/85/374724485.db2.gz WMWYLRVVLIOESH-KGLIPLIRSA-N 1 3 298.431 -0.411 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C1 ZINC000646003172 374725513 /nfs/dbraw/zinc/72/55/13/374725513.db2.gz VJBCJPLTQABADF-CYBMUJFWSA-N 1 3 280.416 -0.166 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000646077551 374739364 /nfs/dbraw/zinc/73/93/64/374739364.db2.gz WTKZZIXMQNCYNR-NOOOWODRSA-N 1 3 255.362 -0.038 20 0 CBADHO CN(C)C[C@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646116446 374742204 /nfs/dbraw/zinc/74/22/04/374742204.db2.gz WYQWDOYSNZOQTN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@H](C)[NH3+] ZINC000646803745 374817509 /nfs/dbraw/zinc/81/75/09/374817509.db2.gz LTFXKBSLCVLUNH-SFYZADRCSA-N 1 3 267.337 -0.864 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000646843025 374825641 /nfs/dbraw/zinc/82/56/41/374825641.db2.gz GPOZNNVYPWZADM-AXFHLTTASA-N 1 3 273.402 -0.344 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H](C)CN1 ZINC000646298134 374767522 /nfs/dbraw/zinc/76/75/22/374767522.db2.gz DNOQROANWUTBMR-UTUOFQBUSA-N 1 3 292.387 -0.148 20 0 CBADHO N[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000646336595 374771384 /nfs/dbraw/zinc/77/13/84/374771384.db2.gz YUIYPCORONRVJC-RTXFEEFZSA-N 1 3 267.373 -0.049 20 0 CBADHO N[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350127 374771971 /nfs/dbraw/zinc/77/19/71/374771971.db2.gz BSBBTACPADXCCZ-CHWSQXEVSA-N 1 3 266.389 -0.380 20 0 CBADHO N[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350132 374772781 /nfs/dbraw/zinc/77/27/81/374772781.db2.gz BSBBTACPADXCCZ-STQMWFEESA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N(C)C ZINC000646427138 374777264 /nfs/dbraw/zinc/77/72/64/374777264.db2.gz NZZDLMRDOXZWHI-JTQLQIEISA-N 1 3 268.365 -0.303 20 0 CBADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N(C)C ZINC000646427203 374777384 /nfs/dbraw/zinc/77/73/84/374777384.db2.gz SMUDNMAOJCLGHR-VIFPVBQESA-N 1 3 254.338 -0.693 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000646856514 374830518 /nfs/dbraw/zinc/83/05/18/374830518.db2.gz ISMYHTVUHQIZLS-TUAOUCFPSA-N 1 3 271.361 -0.670 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC[C@H]1CCCO1 ZINC000647033521 374866253 /nfs/dbraw/zinc/86/62/53/374866253.db2.gz HEGBVHKORBNPFW-SDDRHHMPSA-N 1 3 273.352 -0.087 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051071 374875002 /nfs/dbraw/zinc/87/50/02/374875002.db2.gz RDNNHPVFOSUVFW-RWMBFGLXSA-N 1 3 267.373 -0.131 20 0 CBADHO O=C(COC1CC[NH2+]CC1)N[C@@H]1CNCCC1(F)F ZINC000647075802 374880766 /nfs/dbraw/zinc/88/07/66/374880766.db2.gz XRATXYOJXAJLOO-SNVBAGLBSA-N 1 3 277.315 -0.132 20 0 CBADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CCNCC1 ZINC000647082843 374882752 /nfs/dbraw/zinc/88/27/52/374882752.db2.gz NUYKDXRTVHQLLU-VXGBXAGGSA-N 1 3 268.405 -0.086 20 0 CBADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000646918526 374841775 /nfs/dbraw/zinc/84/17/75/374841775.db2.gz YIOFQLCOINWEDO-BFHYXJOUSA-N 1 3 278.400 -0.461 20 0 CBADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000646918526 374841776 /nfs/dbraw/zinc/84/17/76/374841776.db2.gz YIOFQLCOINWEDO-BFHYXJOUSA-N 1 3 278.400 -0.461 20 0 CBADHO C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000574569210 335029995 /nfs/dbraw/zinc/02/99/95/335029995.db2.gz LFEMCNSJFHCQMS-GMTAPVOTSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000574569736 335030380 /nfs/dbraw/zinc/03/03/80/335030380.db2.gz ZVNIFKQMBDFPKH-JBLDHEPKSA-N 1 3 258.366 -0.522 20 0 CBADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C1CC1 ZINC000574632498 335035183 /nfs/dbraw/zinc/03/51/83/335035183.db2.gz XGYWUQXQSVTTRT-ZFWWWQNUSA-N 1 3 284.448 -0.333 20 0 CBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC[NH3+])c1 ZINC000263258971 190067407 /nfs/dbraw/zinc/06/74/07/190067407.db2.gz LURWHXCAGKAFKU-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356383582 248241159 /nfs/dbraw/zinc/24/11/59/248241159.db2.gz BVBXREPAGPOEAT-FOGDFJRCSA-N 1 3 270.377 -0.705 20 0 CBADHO O=C1CNC(=O)N1CCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093416 248323169 /nfs/dbraw/zinc/32/31/69/248323169.db2.gz YHHPQBYAZXTKDC-LBPRGKRZSA-N 1 3 280.372 -0.140 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000357312088 248350070 /nfs/dbraw/zinc/35/00/70/248350070.db2.gz VJNCFVKZKYWNJM-HNCHTBHHSA-N 1 3 255.362 -0.132 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000357723723 248398339 /nfs/dbraw/zinc/39/83/39/248398339.db2.gz ATOUYMSWVYODGG-CQSZACIVSA-N 1 3 284.404 -0.162 20 0 CBADHO CC[C@@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000514933929 248913308 /nfs/dbraw/zinc/91/33/08/248913308.db2.gz AIUIEOUJOPZCPJ-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO [NH3+]CCOCCN1CCC[C@H]1CN1CCOCC1 ZINC000357107554 295234971 /nfs/dbraw/zinc/23/49/71/295234971.db2.gz RWUFWKCXFKQDRM-ZDUSSCGKSA-N 1 3 257.378 -0.242 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574680996 335039120 /nfs/dbraw/zinc/03/91/20/335039120.db2.gz WPKQHVCGTASUHM-OLZOCXBDSA-N 1 3 283.420 -0.374 20 0 CBADHO COCCNCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127640 412884950 /nfs/dbraw/zinc/88/49/50/412884950.db2.gz QLCRIMUAMGCACB-NEPJUHHUSA-N 1 3 255.362 -0.131 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000346979701 218076943 /nfs/dbraw/zinc/07/69/43/218076943.db2.gz LQKGXTMBOCICJC-GFCCVEGCSA-N 1 3 268.405 -0.038 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CCO1 ZINC000353707390 220269868 /nfs/dbraw/zinc/26/98/68/220269868.db2.gz NNPSILUYJOBJPZ-GFCCVEGCSA-N 1 3 255.362 -0.225 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574742845 335043741 /nfs/dbraw/zinc/04/37/41/335043741.db2.gz LFWBDUBXBCSLSM-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000154657070 207381779 /nfs/dbraw/zinc/38/17/79/207381779.db2.gz CIZQCLDEGNDEFH-VXGBXAGGSA-N 1 3 284.404 -0.632 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418405374 207581659 /nfs/dbraw/zinc/58/16/59/207581659.db2.gz RAGPMZGRGXQXRZ-GFCCVEGCSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515618945 285022082 /nfs/dbraw/zinc/02/20/82/285022082.db2.gz AAFXDRCDURVJGJ-VXGBXAGGSA-N 1 3 270.377 -0.160 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342719939 532985519 /nfs/dbraw/zinc/98/55/19/532985519.db2.gz YHPJWPHQBMHZJX-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000262823022 285031965 /nfs/dbraw/zinc/03/19/65/285031965.db2.gz GZZHSGBVDVILDM-NWDGAFQWSA-N 1 3 273.377 -0.423 20 0 CBADHO CN1CCC(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000428654006 208095358 /nfs/dbraw/zinc/09/53/58/208095358.db2.gz ZDPIRYRTLXTKBM-UHFFFAOYSA-N 1 3 254.378 -0.650 20 0 CBADHO [NH3+]C[C@@H](NC(=O)COC1CNC1)C1CCCCC1 ZINC000429349333 208118899 /nfs/dbraw/zinc/11/88/99/208118899.db2.gz ARUCIQZRQRMOPM-GFCCVEGCSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]C[C@H](NC(=O)COC1CNC1)C1CCCCC1 ZINC000429349334 208120021 /nfs/dbraw/zinc/12/00/21/208120021.db2.gz ARUCIQZRQRMOPM-LBPRGKRZSA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430725503 208176969 /nfs/dbraw/zinc/17/69/69/208176969.db2.gz UEBQTEUERFTZMC-YPMHNXCESA-N 1 3 298.431 -0.020 20 0 CBADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(C[NH3+])CC1 ZINC000430638346 208169955 /nfs/dbraw/zinc/16/99/55/208169955.db2.gz FMJXNNINBKDCGJ-AAEUAGOBSA-N 1 3 296.415 -0.231 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C[C@H]1CNCCO1 ZINC000430695811 208171074 /nfs/dbraw/zinc/17/10/74/208171074.db2.gz AHFAMLAYAHZUPG-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C[C@H]1CNCCO1 ZINC000430695811 208171080 /nfs/dbraw/zinc/17/10/80/208171080.db2.gz AHFAMLAYAHZUPG-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO O=C(COC1CNC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000430673482 208172732 /nfs/dbraw/zinc/17/27/32/208172732.db2.gz CYAFUPLPVQTLTK-NEPJUHHUSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(COC1CNC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430673482 208172738 /nfs/dbraw/zinc/17/27/38/208172738.db2.gz CYAFUPLPVQTLTK-NEPJUHHUSA-N 1 3 253.346 -0.282 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCCN2)C1 ZINC000430882888 208187089 /nfs/dbraw/zinc/18/70/89/208187089.db2.gz AMQDAQDCVXHRCZ-CHWSQXEVSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCCN2)C1 ZINC000430882888 208187092 /nfs/dbraw/zinc/18/70/92/208187092.db2.gz AMQDAQDCVXHRCZ-CHWSQXEVSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CNCCO2)CC1 ZINC000431017368 208198536 /nfs/dbraw/zinc/19/85/36/208198536.db2.gz PYEBJQCFKRCEAJ-ZDUSSCGKSA-N 1 3 284.404 -0.881 20 0 CBADHO CC(CC(=O)NCCN(C)C)CC(=O)NCC[NH+](C)C ZINC000436462579 208295225 /nfs/dbraw/zinc/29/52/25/208295225.db2.gz GBPJBSXALKJQBA-UHFFFAOYSA-N 1 3 286.420 -0.242 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419576784 285202736 /nfs/dbraw/zinc/20/27/36/285202736.db2.gz CHEVZSIFOQPHFU-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)NC ZINC000355976446 285242989 /nfs/dbraw/zinc/24/29/89/285242989.db2.gz AODSKXUNYVSGEZ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)NC ZINC000355976446 285242990 /nfs/dbraw/zinc/24/29/90/285242990.db2.gz AODSKXUNYVSGEZ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCNCC1 ZINC000517738854 260000897 /nfs/dbraw/zinc/00/08/97/260000897.db2.gz FWNSAOXJHAQHNS-NSHDSACASA-N 1 3 256.394 -0.358 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431025065 285317948 /nfs/dbraw/zinc/31/79/48/285317948.db2.gz XIZAESOXPQWKJY-LBPRGKRZSA-N 1 3 256.394 -0.275 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000575056573 335060098 /nfs/dbraw/zinc/06/00/98/335060098.db2.gz GIOITAWUDYHIOQ-LLVKDONJSA-N 1 3 280.328 -0.688 20 0 CBADHO O=C([C@@H]1CCCCN1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563718 304318414 /nfs/dbraw/zinc/31/84/14/304318414.db2.gz MDLIOXPBSHQIBS-STQMWFEESA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000420107313 296582952 /nfs/dbraw/zinc/58/29/52/296582952.db2.gz ATWBCHGWDMYOHM-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000353438072 285993648 /nfs/dbraw/zinc/99/36/48/285993648.db2.gz YUWDBRWFLIQKQI-RWMBFGLXSA-N 1 3 287.404 -0.034 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417755674 292337119 /nfs/dbraw/zinc/33/71/19/292337119.db2.gz QYNNMGPXBHPKLL-NSHDSACASA-N 1 3 260.382 -0.009 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417760045 292337326 /nfs/dbraw/zinc/33/73/26/292337326.db2.gz XDKYOOPHYNLPPY-QWRGUYRKSA-N 1 3 260.382 -0.010 20 0 CBADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N(C)C ZINC000367376879 286732469 /nfs/dbraw/zinc/73/24/69/286732469.db2.gz DQBUZQQJPCKBRA-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419954426 286822952 /nfs/dbraw/zinc/82/29/52/286822952.db2.gz LWVUNNXOQFLGBE-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420027336 298536162 /nfs/dbraw/zinc/53/61/62/298536162.db2.gz KVHCWFZCYJMPLF-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COC2CNC2)CC1 ZINC000261997673 287085623 /nfs/dbraw/zinc/08/56/23/287085623.db2.gz OLZVVNCNSKGLPS-GFCCVEGCSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027304 298657410 /nfs/dbraw/zinc/65/74/10/298657410.db2.gz OMOPDNNSYBJPGW-IJLUTSLNSA-N 1 3 284.404 -0.456 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000344665813 298748475 /nfs/dbraw/zinc/74/84/75/298748475.db2.gz MMDFSURWQWSXBA-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CCO1 ZINC000491875072 412290510 /nfs/dbraw/zinc/29/05/10/412290510.db2.gz XYQUNMPVGFPZSE-FJOGCWAESA-N 1 3 255.362 -0.107 20 0 CBADHO COCCNCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377806688 292563074 /nfs/dbraw/zinc/56/30/74/292563074.db2.gz ICBSMCJPCXZCDG-VXGBXAGGSA-N 1 3 257.378 -0.027 20 0 CBADHO CCC[NH2+][C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662750891 413990964 /nfs/dbraw/zinc/99/09/64/413990964.db2.gz PHBZSLDHFOXCAY-MRVPVSSYSA-N 1 3 267.333 -0.355 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351541008 287349490 /nfs/dbraw/zinc/34/94/90/287349490.db2.gz PAJYJBXDJROKBG-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CC1CCN(CCNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000089700172 544436822 /nfs/dbraw/zinc/43/68/22/544436822.db2.gz DCZXYJSTDTVLKQ-UHFFFAOYSA-N 1 3 280.376 -0.302 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000092955649 544440524 /nfs/dbraw/zinc/44/05/24/544440524.db2.gz GTEJOTJXJKMDJJ-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CC1(OCC(=O)N[C@H]2CCN(C3CC3)C2)C[NH2+]C1 ZINC000098061721 544447050 /nfs/dbraw/zinc/44/70/50/544447050.db2.gz IUOBBOLKZMLANT-JTQLQIEISA-N 1 3 253.346 -0.282 20 0 CBADHO CC(C(=O)NCCC1CC[NH2+]CC1)S(C)(=O)=O ZINC000168104949 544478766 /nfs/dbraw/zinc/47/87/66/544478766.db2.gz FLHRIIDVEQYBOJ-SECBINFHSA-N 1 3 262.375 -0.075 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC1=O ZINC000237160788 544507741 /nfs/dbraw/zinc/50/77/41/544507741.db2.gz HIPOILFMJFCVFN-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CCN(CCC(=O)NCC[NH2+]C2CC2)CC1 ZINC000236874253 544508697 /nfs/dbraw/zinc/50/86/97/544508697.db2.gz UFGBAOXDWDRAMV-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CC(C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000261545127 544516035 /nfs/dbraw/zinc/51/60/35/544516035.db2.gz FPNOOVXAYDBWEX-DOLQZWNJSA-N 1 3 262.375 -0.078 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000310882871 544529940 /nfs/dbraw/zinc/52/99/40/544529940.db2.gz OAAGBTOQLTXSQW-LBPRGKRZSA-N 1 3 260.378 -0.181 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322398056 544531022 /nfs/dbraw/zinc/53/10/22/544531022.db2.gz SXPLUAKLRZCQBJ-CMGMYYOESA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322398056 544531030 /nfs/dbraw/zinc/53/10/30/544531030.db2.gz SXPLUAKLRZCQBJ-CMGMYYOESA-N 1 3 296.415 -0.173 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000343007409 544554644 /nfs/dbraw/zinc/55/46/44/544554644.db2.gz GHIDZLNZXKMDGB-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC1CCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000040772575 419419536 /nfs/dbraw/zinc/41/95/36/419419536.db2.gz YHWISDVVPGHWHZ-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCOC1 ZINC000103212595 419480532 /nfs/dbraw/zinc/48/05/32/419480532.db2.gz AIJCSNPWKPZBJB-GFCCVEGCSA-N 1 3 257.378 -0.025 20 0 CBADHO CN(C)CCn1ccc(NC(=O)N(C)CCOCC[NH3+])n1 ZINC000625864095 419430722 /nfs/dbraw/zinc/43/07/22/419430722.db2.gz KVQLLNNTNBUZEB-UHFFFAOYSA-N 1 3 298.391 -0.116 20 0 CBADHO CC(C)[C@@H](C[NH3+])C(=O)NCCCN1CCN(C)CC1 ZINC000087531272 419468097 /nfs/dbraw/zinc/46/80/97/419468097.db2.gz XLPBDAJMLJUHOY-CYBMUJFWSA-N 1 3 270.421 -0.029 20 0 CBADHO CC(C)N1CCN(CCC[NH+](CCO)CCO)CC1 ZINC000192732855 419540551 /nfs/dbraw/zinc/54/05/51/419540551.db2.gz KBIBPMGXXWMAJK-UHFFFAOYSA-N 1 3 273.421 -0.311 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261644 419568841 /nfs/dbraw/zinc/56/88/41/419568841.db2.gz LNWSBMRQFDGVGA-AWEZNQCLSA-N 1 3 296.415 -0.785 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000389613270 544577861 /nfs/dbraw/zinc/57/78/61/544577861.db2.gz YNRUBYQIPSTECZ-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000389613270 544577863 /nfs/dbraw/zinc/57/78/63/544577863.db2.gz YNRUBYQIPSTECZ-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)(CO)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662263554 419565321 /nfs/dbraw/zinc/56/53/21/419565321.db2.gz MZRPMFMDOZCQJI-CYBMUJFWSA-N 1 3 283.416 -0.104 20 0 CBADHO CN(C)CCOCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662536687 419632867 /nfs/dbraw/zinc/63/28/67/419632867.db2.gz XUKMHHSIYSMRFU-LLVKDONJSA-N 1 3 295.387 -0.205 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CN1C1CC1 ZINC000662539653 419634960 /nfs/dbraw/zinc/63/49/60/419634960.db2.gz GWAOCUOFAWPTBB-VHSXEESVSA-N 1 3 278.360 -0.408 20 0 CBADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@H]1CCC[NH2+]C1 ZINC000647723926 419638193 /nfs/dbraw/zinc/63/81/93/419638193.db2.gz AUWSDAQNLVMPFW-MNOVXSKESA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)(C)[C@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000662259150 419570093 /nfs/dbraw/zinc/57/00/93/419570093.db2.gz QWDLISKBBQWIAS-VHSXEESVSA-N 1 3 255.362 -0.003 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662273282 419570484 /nfs/dbraw/zinc/57/04/84/419570484.db2.gz LCBINJGKOUXFRE-MCIONIFRSA-N 1 3 269.389 -0.197 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000236724347 419570843 /nfs/dbraw/zinc/57/08/43/419570843.db2.gz YSBGUCZUNGHGNU-STQMWFEESA-N 1 3 296.415 -0.265 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000236724380 419574118 /nfs/dbraw/zinc/57/41/18/419574118.db2.gz YSBGUCZUNGHGNU-OLZOCXBDSA-N 1 3 296.415 -0.265 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH3+])CC1 ZINC000237017209 419577531 /nfs/dbraw/zinc/57/75/31/419577531.db2.gz UFJGGCNCAYXMQG-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CCO[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)C[C@H]1C[NH3+] ZINC000662287424 419577964 /nfs/dbraw/zinc/57/79/64/419577964.db2.gz ZTXMATJMTOEBOB-JHJVBQTASA-N 1 3 269.389 -0.197 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(C)(C)[NH3+] ZINC000237027260 419578184 /nfs/dbraw/zinc/57/81/84/419578184.db2.gz WNFVVICUYHNVHQ-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNC2CC2)C1 ZINC000237909379 419586269 /nfs/dbraw/zinc/58/62/69/419586269.db2.gz WZDOTUXYYGMGBG-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CNC2CC2)C1 ZINC000237909379 419586277 /nfs/dbraw/zinc/58/62/77/419586277.db2.gz WZDOTUXYYGMGBG-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO Nc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000647489669 419594404 /nfs/dbraw/zinc/59/44/04/419594404.db2.gz WMPKLHTWZGWKKV-GFCCVEGCSA-N 1 3 277.372 -0.049 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000647723895 419639999 /nfs/dbraw/zinc/63/99/99/419639999.db2.gz AAUYWHAIBDONAN-GVXVVHGQSA-N 1 3 284.404 -0.410 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534022 419601422 /nfs/dbraw/zinc/60/14/22/419601422.db2.gz DREBDJNWPWKAAV-MCIONIFRSA-N 1 3 280.416 -0.133 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534023 419604311 /nfs/dbraw/zinc/60/43/11/419604311.db2.gz DREBDJNWPWKAAV-MGPQQGTHSA-N 1 3 280.416 -0.133 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542306 419606239 /nfs/dbraw/zinc/60/62/39/419606239.db2.gz OGUBTHNPDAYHLJ-HZSPNIEDSA-N 1 3 280.416 -0.133 20 0 CBADHO CC(C)[NH2+]CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662444851 419607618 /nfs/dbraw/zinc/60/76/18/419607618.db2.gz LVQDWIJZTRCZCS-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CC(C)[NH2+]CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000662480364 419618241 /nfs/dbraw/zinc/61/82/41/419618241.db2.gz RQPDFIALLKUBCV-CYBMUJFWSA-N 1 3 270.421 -0.016 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CNCCC1(F)F ZINC000647605679 419624806 /nfs/dbraw/zinc/62/48/06/419624806.db2.gz KMCFVCFEBSZNQI-NSHDSACASA-N 1 3 290.358 -0.357 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCN(CC)CC1 ZINC000662525239 419629353 /nfs/dbraw/zinc/62/93/53/419629353.db2.gz FZZRWGKWZFBOLB-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO C[C@@H]1CCCN(C(=O)COC2(C)CNC2)[C@H]1C[NH3+] ZINC000647820900 419661658 /nfs/dbraw/zinc/66/16/58/419661658.db2.gz LEFNQLKLLFYPBI-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CNC1 ZINC000647829475 419665402 /nfs/dbraw/zinc/66/54/02/419665402.db2.gz MKFLAOGYOHNKFV-GHMZBOCLSA-N 1 3 255.362 -0.001 20 0 CBADHO CC1(C)CNCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647841472 419670147 /nfs/dbraw/zinc/67/01/47/419670147.db2.gz WIAPIZXOQVMMRE-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662659360 419673394 /nfs/dbraw/zinc/67/33/94/419673394.db2.gz KKMNZYHHMISLFE-WFASDCNBSA-N 1 3 296.415 -0.536 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC(C)(C)[NH3+] ZINC000662659158 419674638 /nfs/dbraw/zinc/67/46/38/419674638.db2.gz INXCXEQBLOLNIM-UHFFFAOYSA-N 1 3 272.393 -0.408 20 0 CBADHO CCN1C(=O)[C@@H]2CN(CC3CC[NH2+]CC3)CCN2C1=O ZINC000647891632 419688366 /nfs/dbraw/zinc/68/83/66/419688366.db2.gz ZDPSURWYLUWEFC-LBPRGKRZSA-N 1 3 280.372 -0.046 20 0 CBADHO CO[C@@H]1CCN(CCC(=O)N2CCNCC2)[C@@H](C[NH3+])C1 ZINC000647907026 419688479 /nfs/dbraw/zinc/68/84/79/419688479.db2.gz ZSEPPLBSIDYLLF-CHWSQXEVSA-N 1 3 284.404 -0.754 20 0 CBADHO CC[C@@H]1CN(CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000647934359 419691911 /nfs/dbraw/zinc/69/19/11/419691911.db2.gz BVUPBMJUMPHNEJ-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662703599 419692620 /nfs/dbraw/zinc/69/26/20/419692620.db2.gz MLJABGLQGOVIAW-OBJOEFQTSA-N 1 3 267.373 -0.177 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662704232 419694304 /nfs/dbraw/zinc/69/43/04/419694304.db2.gz XAQUPDSBKHADQU-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO CCCN1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662704036 419695046 /nfs/dbraw/zinc/69/50/46/419695046.db2.gz SBLHZOQEYYNUGE-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662710372 419695138 /nfs/dbraw/zinc/69/51/38/419695138.db2.gz HRGDJPARVVMNAK-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662713329 419696857 /nfs/dbraw/zinc/69/68/57/419696857.db2.gz YWKWCKUUKIZZFT-UPJWGTAASA-N 1 3 285.388 -0.423 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000662719493 419698583 /nfs/dbraw/zinc/69/85/83/419698583.db2.gz DFYIUVHJIPFPES-AGIUHOORSA-N 1 3 267.373 -0.049 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662721162 419701230 /nfs/dbraw/zinc/70/12/30/419701230.db2.gz KNVFCPZPOLVEPU-QJPTWQEYSA-N 1 3 271.361 -0.813 20 0 CBADHO CC(C)(C)[C@H](CN)[NH2+]CCC(=O)N1CCNCC1 ZINC000647988046 419701785 /nfs/dbraw/zinc/70/17/85/419701785.db2.gz IQRAWPFOVDUHSI-NSHDSACASA-N 1 3 256.394 -0.229 20 0 CBADHO CC(C)(C)[C@H](C[NH3+])NCCC(=O)N1CCNCC1 ZINC000647988046 419701799 /nfs/dbraw/zinc/70/17/99/419701799.db2.gz IQRAWPFOVDUHSI-NSHDSACASA-N 1 3 256.394 -0.229 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662721163 419704312 /nfs/dbraw/zinc/70/43/12/419704312.db2.gz KNVFCPZPOLVEPU-SDDRHHMPSA-N 1 3 271.361 -0.813 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662759436 419711200 /nfs/dbraw/zinc/71/12/00/419711200.db2.gz WPKAPSYQGFXCRE-JOCQHMNTSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCN1 ZINC000662770229 419712906 /nfs/dbraw/zinc/71/29/06/419712906.db2.gz NGJHSKCOYTUOSC-IJLUTSLNSA-N 1 3 255.362 -0.193 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)C1(N)CCCC1 ZINC000647769677 419651100 /nfs/dbraw/zinc/65/11/00/419651100.db2.gz FBDWEWFFKWCNTM-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770012 419651851 /nfs/dbraw/zinc/65/18/51/419651851.db2.gz UCHNECWHVFZOGP-GFCCVEGCSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CNCCC1(F)F ZINC000647777682 419653695 /nfs/dbraw/zinc/65/36/95/419653695.db2.gz WMBYNGNXHKKMSM-LLVKDONJSA-N 1 3 290.358 -0.405 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CNCCC1(F)F ZINC000647777683 419655922 /nfs/dbraw/zinc/65/59/22/419655922.db2.gz WMBYNGNXHKKMSM-NSHDSACASA-N 1 3 290.358 -0.405 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C(N)C(F)(F)F ZINC000662633265 419659808 /nfs/dbraw/zinc/65/98/08/419659808.db2.gz YIRDRRYOEMOEQY-SECBINFHSA-N 1 3 284.326 -0.124 20 0 CBADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000662790253 419725295 /nfs/dbraw/zinc/72/52/95/419725295.db2.gz BGDZIECVIFIGJP-NWDGAFQWSA-N 1 3 253.346 -0.343 20 0 CBADHO CCC[C@H]1CNCCN1C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000648108441 419730436 /nfs/dbraw/zinc/73/04/36/419730436.db2.gz VDSFQKMTLUNKEP-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CNC1 ZINC000648109121 419731343 /nfs/dbraw/zinc/73/13/43/419731343.db2.gz ZFHKNKLXNQQLSJ-TUAOUCFPSA-N 1 3 267.373 -0.049 20 0 CBADHO CC(C)N1CCCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662821867 419737296 /nfs/dbraw/zinc/73/72/96/419737296.db2.gz IPPQDIZSDOPLGY-UHFFFAOYSA-N 1 3 280.376 -0.207 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1=O ZINC000648123613 419738042 /nfs/dbraw/zinc/73/80/42/419738042.db2.gz BOWMUZWRMMQJRL-XQQFMLRXSA-N 1 3 294.399 -0.463 20 0 CBADHO O=C([C@@H]1CNCCOC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124108 419740307 /nfs/dbraw/zinc/74/03/07/419740307.db2.gz QZGUJBNRQLIALT-UTUOFQBUSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123009 419740738 /nfs/dbraw/zinc/74/07/38/419740738.db2.gz GYQZFRDYOFAVAS-MDZLAQPJSA-N 1 3 282.388 -0.704 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662844544 419742671 /nfs/dbraw/zinc/74/26/71/419742671.db2.gz DEXSOVRYEIMBEC-JTQLQIEISA-N 1 3 258.366 -0.718 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000648128721 419743538 /nfs/dbraw/zinc/74/35/38/419743538.db2.gz LWQRHYVBWGORRH-SCVCMEIPSA-N 1 3 270.377 -0.657 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)CC(C)(C)[NH3+])CC1=O ZINC000662845803 419744380 /nfs/dbraw/zinc/74/43/80/419744380.db2.gz WXTHOIBADGSZGY-LLVKDONJSA-N 1 3 284.404 -0.408 20 0 CBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](N)CC(F)F ZINC000662872541 419760849 /nfs/dbraw/zinc/76/08/49/419760849.db2.gz CBQDFMBAJOJHDC-SECBINFHSA-N 1 3 294.346 -0.553 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662886360 419764754 /nfs/dbraw/zinc/76/47/54/419764754.db2.gz FJWHGXPICSAFDY-JHJVBQTASA-N 1 3 269.389 -0.054 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCCO1 ZINC000648177565 419769181 /nfs/dbraw/zinc/76/91/81/419769181.db2.gz HNIIKUBYDJIUAY-ZJUUUORDSA-N 1 3 277.315 -0.193 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000662927148 419777331 /nfs/dbraw/zinc/77/73/31/419777331.db2.gz UINUIHYIMUDDFP-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662922604 419778420 /nfs/dbraw/zinc/77/84/20/419778420.db2.gz LMXLCHLFNXMMIR-MQYJIDSJSA-N 1 3 294.399 -0.735 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662927560 419779452 /nfs/dbraw/zinc/77/94/52/419779452.db2.gz AEIBLTPJZDXPLP-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO C[C@H]1NCCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1C ZINC000662776343 419716418 /nfs/dbraw/zinc/71/64/18/419716418.db2.gz WZVXTMIAHOXTDL-BDAKNGLRSA-N 1 3 252.322 -0.941 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000662972984 419801330 /nfs/dbraw/zinc/80/13/30/419801330.db2.gz NMSAFKJNOBEJKR-CYBMUJFWSA-N 1 3 299.415 -0.066 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC1=O ZINC000663010186 419809288 /nfs/dbraw/zinc/80/92/88/419809288.db2.gz IMAVVYVMNXYXPV-SMDDNHRTSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)CCC[NH3+])CC1=O ZINC000649273049 419858427 /nfs/dbraw/zinc/85/84/27/419858427.db2.gz BDTJATRVVHBCRO-NSHDSACASA-N 1 3 270.377 -0.796 20 0 CBADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663217027 419827152 /nfs/dbraw/zinc/82/71/52/419827152.db2.gz AIRIAWHGARGPBB-AAEUAGOBSA-N 1 3 265.357 -0.423 20 0 CBADHO CCCN1CC[C@@H]([NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000663366569 419835117 /nfs/dbraw/zinc/83/51/17/419835117.db2.gz WQBBBRODBZYZSI-HUUCEWRRSA-N 1 3 284.448 -0.331 20 0 CBADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492416 419841211 /nfs/dbraw/zinc/84/12/11/419841211.db2.gz STLJTGAXDPGEJH-WDEREUQCSA-N 1 3 253.346 -0.425 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681309 419854352 /nfs/dbraw/zinc/85/43/52/419854352.db2.gz JRIKHPRROZJRSY-MQYQWHSLSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681309 419854355 /nfs/dbraw/zinc/85/43/55/419854355.db2.gz JRIKHPRROZJRSY-MQYQWHSLSA-N 1 3 296.415 -0.071 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271295 419857391 /nfs/dbraw/zinc/85/73/91/419857391.db2.gz DYXSSSSIZSIFED-UHFFFAOYSA-N 1 3 256.394 -0.310 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN(C)C ZINC000355276254 419865656 /nfs/dbraw/zinc/86/56/56/419865656.db2.gz UDSFZJRYVCMYGN-LLVKDONJSA-N 1 3 272.393 -0.537 20 0 CBADHO C[C@H]1CN(CCCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000649302424 419871478 /nfs/dbraw/zinc/87/14/78/419871478.db2.gz OFZQXCNVLAQPFU-STQMWFEESA-N 1 3 287.404 -0.033 20 0 CBADHO COCCN1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649304885 419871833 /nfs/dbraw/zinc/87/18/33/419871833.db2.gz LAEMRYRYVNLENB-ITGUQSILSA-N 1 3 267.373 -0.321 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000649313185 419877478 /nfs/dbraw/zinc/87/74/78/419877478.db2.gz HLNOSVCNOJREEO-MXWKQRLJSA-N 1 3 263.345 0.134 20 0 CBADHO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)C[C@@H]1O ZINC000664128855 419881247 /nfs/dbraw/zinc/88/12/47/419881247.db2.gz MQTUAYBXOPIGTM-DRZSPHRISA-N 1 3 282.388 -0.461 20 0 CBADHO COCCN1CC[C@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358119595 419895338 /nfs/dbraw/zinc/89/53/38/419895338.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 1 3 257.378 -0.637 20 0 CBADHO COCCN1CC[C@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119595 419895343 /nfs/dbraw/zinc/89/53/43/419895343.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 1 3 257.378 -0.637 20 0 CBADHO COCCCN(C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649340088 419895501 /nfs/dbraw/zinc/89/55/01/419895501.db2.gz AIYQBPCKRVZBIG-GDNZZTSVSA-N 1 3 255.362 -0.464 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(CO)C1 ZINC000665761797 544615222 /nfs/dbraw/zinc/61/52/22/544615222.db2.gz QIQURWMDZMVNSK-LBPRGKRZSA-N 1 3 286.420 -0.108 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(CO)C1 ZINC000665761797 544615223 /nfs/dbraw/zinc/61/52/23/544615223.db2.gz QIQURWMDZMVNSK-LBPRGKRZSA-N 1 3 286.420 -0.108 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000666923991 544649617 /nfs/dbraw/zinc/64/96/17/544649617.db2.gz WJUDCGLLQYRVDM-OCCSQVGLSA-N 1 3 284.404 -0.164 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000666923991 544649622 /nfs/dbraw/zinc/64/96/22/544649622.db2.gz WJUDCGLLQYRVDM-OCCSQVGLSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000358518452 419899110 /nfs/dbraw/zinc/89/91/10/419899110.db2.gz KBULISDRPVIWPN-LLVKDONJSA-N 1 3 272.393 -0.308 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)CN1CCN(C)CC1 ZINC000649351415 419902967 /nfs/dbraw/zinc/90/29/67/419902967.db2.gz VXLZXDSCYFGDKO-IGQOVBAYSA-N 1 3 280.416 -0.549 20 0 CBADHO CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358658901 419909741 /nfs/dbraw/zinc/90/97/41/419909741.db2.gz GJZHRQJYZAMGQD-AWEZNQCLSA-N 1 3 284.404 -0.164 20 0 CBADHO CN(CCCN1CCOCC1)CCN1CC[NH2+]CC1 ZINC000649409633 419910747 /nfs/dbraw/zinc/91/07/47/419910747.db2.gz GIXWZQXNXUFWCB-UHFFFAOYSA-N 1 3 270.421 -0.454 20 0 CBADHO CC[NH+]1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358658902 419910872 /nfs/dbraw/zinc/91/08/72/419910872.db2.gz GJZHRQJYZAMGQD-CQSZACIVSA-N 1 3 284.404 -0.164 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncc[nH]1 ZINC000668303946 544691444 /nfs/dbraw/zinc/69/14/44/544691444.db2.gz YTTGSONYDJMLHU-UHFFFAOYSA-N 1 3 253.350 -0.025 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669452006 544749238 /nfs/dbraw/zinc/74/92/38/544749238.db2.gz NSHMUDYZHVKHDK-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669473250 544750321 /nfs/dbraw/zinc/75/03/21/544750321.db2.gz ZHEZNXVQDQJWFG-QWRGUYRKSA-N 1 3 258.366 -0.256 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669491558 544751023 /nfs/dbraw/zinc/75/10/23/544751023.db2.gz ZXUSXOQNMWSGNT-LBPRGKRZSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCN(C)C2CC2)CCO1 ZINC000669477829 544751246 /nfs/dbraw/zinc/75/12/46/544751246.db2.gz JJUHUQNKOHUPSE-JQWIXIFHSA-N 1 3 270.377 -0.162 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCN1 ZINC000669514869 544752077 /nfs/dbraw/zinc/75/20/77/544752077.db2.gz NVCGKKOQTOLTOH-VXGBXAGGSA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCN1 ZINC000669514857 544753077 /nfs/dbraw/zinc/75/30/77/544753077.db2.gz NDBWCJLGINXFAP-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000669927726 544768657 /nfs/dbraw/zinc/76/86/57/544768657.db2.gz HSGHXSKKBOQHCO-STQMWFEESA-N 1 3 266.389 -0.698 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC1 ZINC000671081891 544801622 /nfs/dbraw/zinc/80/16/22/544801622.db2.gz ZDPIGPNMUGQXNE-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CC1[C@H](C(=O)NCCN(C)C)[C@H]1C(=O)NCC[NH+](C)C ZINC000665112320 419931845 /nfs/dbraw/zinc/93/18/45/419931845.db2.gz UGMGQWPVOCZBPV-RYUDHWBXSA-N 1 3 284.404 -0.776 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000665255392 419937594 /nfs/dbraw/zinc/93/75/94/419937594.db2.gz RAXPFAQDKINPSL-RNJOBUHISA-N 1 3 284.404 -0.357 20 0 CBADHO C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCC[NH2+]1 ZINC000665294845 419937726 /nfs/dbraw/zinc/93/77/26/419937726.db2.gz XMSPOAAXFZSEDR-WCBMZHEXSA-N 1 3 251.334 -0.129 20 0 CBADHO CN(CCC[NH2+][C@H]1CCC[C@H]1CN)S(C)(=O)=O ZINC000665230991 419938709 /nfs/dbraw/zinc/93/87/09/419938709.db2.gz ZVPYGCBQMDKENE-QWRGUYRKSA-N 1 3 263.407 -0.015 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000665295021 419938733 /nfs/dbraw/zinc/93/87/33/419938733.db2.gz ZRNZEDWNKYYWBZ-WPRPVWTQSA-N 1 3 251.334 -0.142 20 0 CBADHO CCC[C@H]1CNCCN1C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000359227166 419951178 /nfs/dbraw/zinc/95/11/78/419951178.db2.gz VHWSSFRCROPDMA-WCQYABFASA-N 1 3 284.404 -0.314 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364193435 420031432 /nfs/dbraw/zinc/03/14/32/420031432.db2.gz MVWXVFNKKPKGQX-QWHCGFSZSA-N 1 3 263.341 -0.258 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CNCCO1)C2 ZINC000652223887 420053246 /nfs/dbraw/zinc/05/32/46/420053246.db2.gz OUUMBDVWAMLZCQ-OBJOEFQTSA-N 1 3 282.388 -0.255 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1CNCCO1)C2 ZINC000652223888 420053311 /nfs/dbraw/zinc/05/33/11/420053311.db2.gz OUUMBDVWAMLZCQ-SCRDCRAPSA-N 1 3 282.388 -0.255 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336924 420057463 /nfs/dbraw/zinc/05/74/63/420057463.db2.gz OWCJWSHWYNZXRR-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000652336924 420057467 /nfs/dbraw/zinc/05/74/67/420057467.db2.gz OWCJWSHWYNZXRR-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329912 420061668 /nfs/dbraw/zinc/06/16/68/420061668.db2.gz JNGOSWBUICJCFQ-QNWHQSFQSA-N 1 3 269.389 -0.054 20 0 CBADHO COCC1(CNC(=O)[C@@]2(F)CCNC2)CC[NH2+]CC1 ZINC000367375801 420103971 /nfs/dbraw/zinc/10/39/71/420103971.db2.gz WXSWRQMHKAETNI-CYBMUJFWSA-N 1 3 273.352 -0.180 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N1C ZINC000672930624 544862829 /nfs/dbraw/zinc/86/28/29/544862829.db2.gz MHPWGCCYCJLWBC-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000653112614 420117184 /nfs/dbraw/zinc/11/71/84/420117184.db2.gz DEDAAPZDFMJJSX-PWSUYJOCSA-N 1 3 254.378 -0.382 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1C1CC1 ZINC000653123749 420118821 /nfs/dbraw/zinc/11/88/21/420118821.db2.gz GAVLWSYINNVWLP-OHTBPHCPSA-N 1 3 279.384 -0.036 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123668 420119162 /nfs/dbraw/zinc/11/91/62/420119162.db2.gz DASQMPGYHLQMAI-MEDZGJRSSA-N 1 3 279.384 -0.179 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CCN1 ZINC000653132830 420121731 /nfs/dbraw/zinc/12/17/31/420121731.db2.gz DDCJFYQJAQSGLV-VXGBXAGGSA-N 1 3 256.394 -0.278 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCN2CCC1CC2 ZINC000653151171 420123383 /nfs/dbraw/zinc/12/33/83/420123383.db2.gz ZGICGJGQFCDMOL-GFCCVEGCSA-N 1 3 254.378 -0.428 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194802 420127828 /nfs/dbraw/zinc/12/78/28/420127828.db2.gz YKBDYVHPUYLLMT-WHOFXGATSA-N 1 3 296.415 -0.327 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)C[C@H]1C[NH3+] ZINC000653247593 420130058 /nfs/dbraw/zinc/13/00/58/420130058.db2.gz JMZJBOHQMHGBPP-GMTAPVOTSA-N 1 3 255.362 -0.193 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372607 420130636 /nfs/dbraw/zinc/13/06/36/420130636.db2.gz AEUBHBZUDAJNCN-HBNTYKKESA-N 1 3 255.387 -0.098 20 0 CBADHO C[C@H](O)CN[C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283258 420136234 /nfs/dbraw/zinc/13/62/34/420136234.db2.gz WQWYOMIOAFUJOJ-VHSXEESVSA-N 1 3 257.334 -0.964 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)NCCNc1ccncc1 ZINC000653346097 420140752 /nfs/dbraw/zinc/14/07/52/420140752.db2.gz ILOFVHSOFWYBGY-LBPRGKRZSA-N 1 3 265.361 -0.689 20 0 CBADHO C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CNCCO2)cn1 ZINC000652612175 420070931 /nfs/dbraw/zinc/07/09/31/420070931.db2.gz KPFSFWHANIDOSK-LBPRGKRZSA-N 1 3 296.375 -0.445 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652697184 420073553 /nfs/dbraw/zinc/07/35/53/420073553.db2.gz YMZMCKCLHYQXHQ-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)CN ZINC000652706293 420075391 /nfs/dbraw/zinc/07/53/91/420075391.db2.gz ZQGWNQURGGEXPZ-GFCCVEGCSA-N 1 3 286.420 -0.114 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)CN ZINC000652706293 420075396 /nfs/dbraw/zinc/07/53/96/420075396.db2.gz ZQGWNQURGGEXPZ-GFCCVEGCSA-N 1 3 286.420 -0.114 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000652701848 420075610 /nfs/dbraw/zinc/07/56/10/420075610.db2.gz KHMWHJIDWCXBLS-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652714184 420077653 /nfs/dbraw/zinc/07/76/53/420077653.db2.gz FRADQPUBNCXRBH-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000652731339 420079222 /nfs/dbraw/zinc/07/92/22/420079222.db2.gz IHDKZSCCTBMMBS-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000652731963 420080295 /nfs/dbraw/zinc/08/02/95/420080295.db2.gz ZREGATXOEMUXRV-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000366557441 420089429 /nfs/dbraw/zinc/08/94/29/420089429.db2.gz SHEPWRQQNLOLIT-TUYISWAISA-N 1 3 267.373 -0.147 20 0 CBADHO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000654657292 420189953 /nfs/dbraw/zinc/18/99/53/420189953.db2.gz IICOAFDSFIACOU-GFCCVEGCSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000378639858 420197069 /nfs/dbraw/zinc/19/70/69/420197069.db2.gz HCPHIIATNHZZHT-AWEZNQCLSA-N 1 3 280.416 -0.167 20 0 CBADHO CCCN1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000389716217 420205807 /nfs/dbraw/zinc/20/58/07/420205807.db2.gz JEMQJTMDWCESNO-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000394668988 420211115 /nfs/dbraw/zinc/21/11/15/420211115.db2.gz PAPJPNRHPHHQBL-LLVKDONJSA-N 1 3 268.361 -0.852 20 0 CBADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCOCC1 ZINC000369018280 420148569 /nfs/dbraw/zinc/14/85/69/420148569.db2.gz WXFRUCXNSUGBBS-RYUDHWBXSA-N 1 3 268.361 -0.294 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649579 420154853 /nfs/dbraw/zinc/15/48/53/420154853.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649579 420154856 /nfs/dbraw/zinc/15/48/56/420154856.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[N@H+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654420276 420177444 /nfs/dbraw/zinc/17/74/44/420177444.db2.gz XPFZEGPMVDHZEA-UONOGXRCSA-N 1 3 296.415 -0.069 20 0 CBADHO CC[N@@H+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654420276 420177449 /nfs/dbraw/zinc/17/74/49/420177449.db2.gz XPFZEGPMVDHZEA-UONOGXRCSA-N 1 3 296.415 -0.069 20 0 CBADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400235308 420223100 /nfs/dbraw/zinc/22/31/00/420223100.db2.gz USDDLAYPBPXAIQ-MNOVXSKESA-N 1 3 279.406 -0.636 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418389550 420241573 /nfs/dbraw/zinc/24/15/73/420241573.db2.gz UAONRLSJQSDPOL-STQMWFEESA-N 1 3 284.404 -0.260 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000419103008 420243545 /nfs/dbraw/zinc/24/35/45/420243545.db2.gz LKFOQLDKJSHOTC-NSHDSACASA-N 1 3 270.377 -0.704 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000418949202 420243771 /nfs/dbraw/zinc/24/37/71/420243771.db2.gz RKQLUXXOLFKTNK-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419415110 420244880 /nfs/dbraw/zinc/24/48/80/420244880.db2.gz UQTXLHHMLUVXMV-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419862998 420245694 /nfs/dbraw/zinc/24/56/94/420245694.db2.gz DKQFJGKVXBEIEF-JHJVBQTASA-N 1 3 296.415 -0.027 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419719691 420245779 /nfs/dbraw/zinc/24/57/79/420245779.db2.gz DCJUPRPQZSCUMY-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419732933 420246537 /nfs/dbraw/zinc/24/65/37/420246537.db2.gz NFFDCZMIJYFGLI-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987127 420247459 /nfs/dbraw/zinc/24/74/59/420247459.db2.gz CYJXUGFZEPWYOE-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903779 420247622 /nfs/dbraw/zinc/24/76/22/420247622.db2.gz WXCUZGAQQNSYMT-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419892185 420248289 /nfs/dbraw/zinc/24/82/89/420248289.db2.gz JBNJCHZEVKUFKF-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000655488980 420256303 /nfs/dbraw/zinc/25/63/03/420256303.db2.gz KONWRMBFRIXERW-PHIMTYICSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423727205 420257381 /nfs/dbraw/zinc/25/73/81/420257381.db2.gz QTANVGSASGFHMH-RYUDHWBXSA-N 1 3 282.388 -0.511 20 0 CBADHO [NH3+]C[C@H](NC(=O)CNC[C@@H]1CCCO1)C(F)(F)F ZINC000655505287 420259300 /nfs/dbraw/zinc/25/93/00/420259300.db2.gz VHUXIRDZGMNBSD-YUMQZZPRSA-N 1 3 269.267 -0.239 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N[C@H](C[NH3+])C(F)(F)F)C1=O ZINC000655518623 420261949 /nfs/dbraw/zinc/26/19/49/420261949.db2.gz IMXGGKSCRVCNDJ-HTQZYQBOSA-N 1 3 296.293 -0.668 20 0 CBADHO [NH3+]C[C@@H](NC(=O)CCOC1CNC1)C(F)(F)F ZINC000655516848 420262518 /nfs/dbraw/zinc/26/25/18/420262518.db2.gz ZVIWWAOSIWRZOO-SSDOTTSWSA-N 1 3 255.240 -0.629 20 0 CBADHO COC1(C(=O)Nc2ccn(CCN(C)C)n2)CC[NH2+]CC1 ZINC000430873610 420271963 /nfs/dbraw/zinc/27/19/63/420271963.db2.gz VEYGFNJTCQNFBI-UHFFFAOYSA-N 1 3 295.387 0.152 20 0 CBADHO CSCC[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430876605 420272067 /nfs/dbraw/zinc/27/20/67/420272067.db2.gz RUSWAEYIDGOWQJ-SNVBAGLBSA-N 1 3 285.417 0.464 20 0 CBADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000655962065 420282335 /nfs/dbraw/zinc/28/23/35/420282335.db2.gz HTEWWMNSZYINCM-ZOBORPQBSA-N 1 3 296.415 -0.165 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655933085 420282496 /nfs/dbraw/zinc/28/24/96/420282496.db2.gz GGWIPETYPRTDFX-YIZRAAEISA-N 1 3 296.293 -0.664 20 0 CBADHO C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000655962063 420282519 /nfs/dbraw/zinc/28/25/19/420282519.db2.gz HTEWWMNSZYINCM-XDQVBPFNSA-N 1 3 296.415 -0.165 20 0 CBADHO Cn1cnnc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000655947296 420283114 /nfs/dbraw/zinc/28/31/14/420283114.db2.gz QRSDRXNYMDBAKG-GFCCVEGCSA-N 1 3 264.377 -0.063 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(C)C2)C1=O ZINC000656477941 420311990 /nfs/dbraw/zinc/31/19/90/420311990.db2.gz ODRYBYAFCNFPMM-XUJVJEKNSA-N 1 3 295.383 -0.356 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@]3(C)C2)C1=O ZINC000656477941 420311994 /nfs/dbraw/zinc/31/19/94/420311994.db2.gz ODRYBYAFCNFPMM-XUJVJEKNSA-N 1 3 295.383 -0.356 20 0 CBADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C ZINC000516761404 420363145 /nfs/dbraw/zinc/36/31/45/420363145.db2.gz DAWMPJFTTQBEHZ-QWHCGFSZSA-N 1 3 258.410 -0.866 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H]1CNCCO1)C2=O ZINC000656611519 420318384 /nfs/dbraw/zinc/31/83/84/420318384.db2.gz KHIXRLJPIVZXCW-MISXGVKJSA-N 1 3 296.371 -0.586 20 0 CBADHO CN1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCC1=O ZINC000656790775 420322141 /nfs/dbraw/zinc/32/21/41/420322141.db2.gz AELMQZWUFPPSFT-LBPRGKRZSA-N 1 3 282.388 -0.652 20 0 CBADHO CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCC1=O ZINC000656790775 420322143 /nfs/dbraw/zinc/32/21/43/420322143.db2.gz AELMQZWUFPPSFT-LBPRGKRZSA-N 1 3 282.388 -0.652 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656021606 420292718 /nfs/dbraw/zinc/29/27/18/420292718.db2.gz CYGZRVHKSIRYHT-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656021998 420293682 /nfs/dbraw/zinc/29/36/82/420293682.db2.gz RHBDHGWGYHAGJZ-QJPTWQEYSA-N 1 3 282.388 -0.417 20 0 CBADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022964 420293835 /nfs/dbraw/zinc/29/38/35/420293835.db2.gz PUSDIRLGGXFYLB-QWHCGFSZSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022114 420294028 /nfs/dbraw/zinc/29/40/28/420294028.db2.gz BYNNOMFIQOONJA-AGIUHOORSA-N 1 3 296.415 -0.027 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656028059 420295433 /nfs/dbraw/zinc/29/54/33/420295433.db2.gz IBGQHDGKBNBTEI-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO COC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000517373230 420375835 /nfs/dbraw/zinc/37/58/35/420375835.db2.gz LFZGBNHSGCFLKW-UHFFFAOYSA-N 1 3 255.362 -0.223 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000658529625 420381862 /nfs/dbraw/zinc/38/18/62/420381862.db2.gz DMFDBFZFNPOOSK-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CSCCN1 ZINC000519697659 420385091 /nfs/dbraw/zinc/38/50/91/420385091.db2.gz RPEFTOVFOUMFQN-WDEREUQCSA-N 1 3 272.418 -0.899 20 0 CBADHO C[C@@H](CNC(=O)[C@H](C)N(C)C)C[NH+]1CCN(C)CC1 ZINC000674263799 544901368 /nfs/dbraw/zinc/90/13/68/544901368.db2.gz AIIWVSKPJUUJHC-STQMWFEESA-N 1 3 270.421 -0.064 20 0 CBADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000677887000 544989770 /nfs/dbraw/zinc/98/97/70/544989770.db2.gz YQHPPPOHHBBJGM-GJZGRUSLSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000677887000 544989775 /nfs/dbraw/zinc/98/97/75/544989775.db2.gz YQHPPPOHHBBJGM-GJZGRUSLSA-N 1 3 292.427 -0.023 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364032667 287629073 /nfs/dbraw/zinc/62/90/73/287629073.db2.gz DHTYCNFKWXZPHO-LDYMZIIASA-N 1 3 263.345 -0.217 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659449140 420419811 /nfs/dbraw/zinc/41/98/11/420419811.db2.gz SNQMAKAIEQXXDV-GHMZBOCLSA-N 1 3 276.356 -0.355 20 0 CBADHO COCCN(C)CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659448851 420420436 /nfs/dbraw/zinc/42/04/36/420420436.db2.gz JVNJRVGIUXHBGO-UHFFFAOYSA-N 1 3 260.382 -0.057 20 0 CBADHO COCCN(C)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659448929 420420820 /nfs/dbraw/zinc/42/08/20/420420820.db2.gz NOURKEHOSRZZLB-UHFFFAOYSA-N 1 3 270.377 -0.384 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000659461151 420422229 /nfs/dbraw/zinc/42/22/29/420422229.db2.gz XFHRJMXYRRKUNF-CHWSQXEVSA-N 1 3 285.436 -0.223 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000659461152 420422318 /nfs/dbraw/zinc/42/23/18/420422318.db2.gz XFHRJMXYRRKUNF-OLZOCXBDSA-N 1 3 285.436 -0.223 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357991 420414348 /nfs/dbraw/zinc/41/43/48/420414348.db2.gz FFAMLGJXJRKQLQ-WDEREUQCSA-N 1 3 272.393 -0.552 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1(C[NH3+])CC1 ZINC000659359937 420415811 /nfs/dbraw/zinc/41/58/11/420415811.db2.gz XGMUDKFECRZSLC-UHFFFAOYSA-N 1 3 284.404 -0.406 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659359341 420416949 /nfs/dbraw/zinc/41/69/49/420416949.db2.gz QJTBNRPJIOYVKJ-JTQLQIEISA-N 1 3 258.366 -0.940 20 0 CBADHO COC[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]C1 ZINC000659387452 420417349 /nfs/dbraw/zinc/41/73/49/420417349.db2.gz VOVIBDCYVFZBJN-CKYFFXLPSA-N 1 3 259.325 -0.490 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868609 544986514 /nfs/dbraw/zinc/98/65/14/544986514.db2.gz JDGFAUPQIFTGJC-STQMWFEESA-N 1 3 266.389 -0.413 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868609 544986518 /nfs/dbraw/zinc/98/65/18/544986518.db2.gz JDGFAUPQIFTGJC-STQMWFEESA-N 1 3 266.389 -0.413 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000681112577 545043811 /nfs/dbraw/zinc/04/38/11/545043811.db2.gz DXMKHGILPDTUCS-GFCCVEGCSA-N 1 3 272.393 -0.306 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000681112577 545043813 /nfs/dbraw/zinc/04/38/13/545043813.db2.gz DXMKHGILPDTUCS-GFCCVEGCSA-N 1 3 272.393 -0.306 20 0 CBADHO [NH3+]C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000659575281 420435131 /nfs/dbraw/zinc/43/51/31/420435131.db2.gz LCQYBRPRCRPYDF-NWDGAFQWSA-N 1 3 282.388 -0.282 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339640091 230230539 /nfs/dbraw/zinc/23/05/39/230230539.db2.gz VCRCGCIHSMYLDX-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659608456 420437114 /nfs/dbraw/zinc/43/71/14/420437114.db2.gz DDKPIUVIICQNFF-VXGBXAGGSA-N 1 3 270.377 -0.160 20 0 CBADHO CN1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](CN)C1 ZINC000659612479 420437174 /nfs/dbraw/zinc/43/71/74/420437174.db2.gz VYBQRXPTSNLENW-QWKFWESOSA-N 1 3 267.377 -0.977 20 0 CBADHO N[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@H]1F ZINC000659609861 420437346 /nfs/dbraw/zinc/43/73/46/420437346.db2.gz CUBCPYKSXHBAEJ-WDHPUFTPSA-N 1 3 256.325 -0.181 20 0 CBADHO N[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[C@H]1F ZINC000659506090 420424603 /nfs/dbraw/zinc/42/46/03/420424603.db2.gz LGVOPJQZCJPKIJ-VXGBXAGGSA-N 1 3 287.383 -0.638 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659540896 420430843 /nfs/dbraw/zinc/43/08/43/420430843.db2.gz XPVVEQVNMUOAOS-MRVPVSSYSA-N 1 3 282.348 -0.562 20 0 CBADHO N[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@H]1F ZINC000659550682 420432644 /nfs/dbraw/zinc/43/26/44/420432644.db2.gz TVPRCXUKJDNPNE-HBNTYKKESA-N 1 3 274.340 -0.554 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000659552930 420433440 /nfs/dbraw/zinc/43/34/40/420433440.db2.gz GWEUOEOVIFGOPE-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000659552930 420433441 /nfs/dbraw/zinc/43/34/41/420433441.db2.gz GWEUOEOVIFGOPE-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CNCCO1 ZINC000659555231 420433708 /nfs/dbraw/zinc/43/37/08/420433708.db2.gz PFDGCOZWZPFLFO-SQLBVSGCSA-N 1 3 254.334 -0.893 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834142 545040785 /nfs/dbraw/zinc/04/07/85/545040785.db2.gz BJKJNZPJAMNHAZ-HIFRSBDPSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834142 545040786 /nfs/dbraw/zinc/04/07/86/545040786.db2.gz BJKJNZPJAMNHAZ-HIFRSBDPSA-N 1 3 296.415 -0.164 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000659750874 420467603 /nfs/dbraw/zinc/46/76/03/420467603.db2.gz ICRMADRHVHDEBX-JTQLQIEISA-N 1 3 270.377 -0.737 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000659758027 420469243 /nfs/dbraw/zinc/46/92/43/420469243.db2.gz XFRSDHXQRUNLSL-WOPDTQHZSA-N 1 3 284.404 -0.491 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCCN(CCCO)C1 ZINC000659613922 420437585 /nfs/dbraw/zinc/43/75/85/420437585.db2.gz OEEXBBBJHQBDJS-OWYJLGKBSA-N 1 3 296.415 -0.116 20 0 CBADHO CCCN1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659608452 420437917 /nfs/dbraw/zinc/43/79/17/420437917.db2.gz DDKPIUVIICQNFF-NWDGAFQWSA-N 1 3 270.377 -0.160 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000659622360 420438350 /nfs/dbraw/zinc/43/83/50/420438350.db2.gz PGENFWHOPAEIDB-YPMHNXCESA-N 1 3 272.393 -0.274 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@](C)(O)CN(C)C ZINC000659623038 420439002 /nfs/dbraw/zinc/43/90/02/420439002.db2.gz ZWXHOPCSYKRXFE-YPMHNXCESA-N 1 3 274.409 -0.028 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659685806 420448723 /nfs/dbraw/zinc/44/87/23/420448723.db2.gz PHYYOABTHRQDMG-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659691097 420450173 /nfs/dbraw/zinc/45/01/73/420450173.db2.gz HLUHKMZTYLQTQQ-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659703297 420453032 /nfs/dbraw/zinc/45/30/32/420453032.db2.gz YEAMTFHOYXOERZ-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659706107 420453195 /nfs/dbraw/zinc/45/31/95/420453195.db2.gz HPEKKIQGZYXXEK-UHFFFAOYSA-N 1 3 272.393 -0.360 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709263 420453751 /nfs/dbraw/zinc/45/37/51/420453751.db2.gz GMMMKCZGUFOFAE-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000659709884 420454036 /nfs/dbraw/zinc/45/40/36/420454036.db2.gz JSNYCECDROQUON-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000659709658 420454068 /nfs/dbraw/zinc/45/40/68/420454068.db2.gz JRBFHMPKDJNZTD-VIFPVBQESA-N 1 3 256.350 -0.950 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659712818 420455799 /nfs/dbraw/zinc/45/57/99/420455799.db2.gz MFDQWWMGQUTPPL-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659715531 420456692 /nfs/dbraw/zinc/45/66/92/420456692.db2.gz PTMXBUJDMUQOJJ-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000659715383 420456736 /nfs/dbraw/zinc/45/67/36/420456736.db2.gz SYXVVRUBYCZENQ-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[NH2+]CC)C1 ZINC000659714799 420456773 /nfs/dbraw/zinc/45/67/73/420456773.db2.gz WBCYKJVCSNKVMC-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000659715456 420456898 /nfs/dbraw/zinc/45/68/98/420456898.db2.gz PFQCAWYSQVBCPG-NXEZZACHSA-N 1 3 256.350 -0.950 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659718359 420457994 /nfs/dbraw/zinc/45/79/94/420457994.db2.gz PRVREBXYMASPTD-RYUDHWBXSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000659722125 420458990 /nfs/dbraw/zinc/45/89/90/420458990.db2.gz MQSKRJJUHFAKIM-UPJWGTAASA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659720269 420459223 /nfs/dbraw/zinc/45/92/23/420459223.db2.gz RXRZQZUPIIPKMH-NEPJUHHUSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000659724743 420459983 /nfs/dbraw/zinc/45/99/83/420459983.db2.gz QPQXXXVFQWANSS-AGIUHOORSA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000659729693 420461308 /nfs/dbraw/zinc/46/13/08/420461308.db2.gz TUMCILMMKIHNCS-WOPDTQHZSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732482 420462439 /nfs/dbraw/zinc/46/24/39/420462439.db2.gz OMJKJZMWVNEKLM-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000659738277 420462981 /nfs/dbraw/zinc/46/29/81/420462981.db2.gz DGKIDVFMPMNNHF-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659738223 420463530 /nfs/dbraw/zinc/46/35/30/420463530.db2.gz BZJKEEPYVWTTQR-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659738542 420463870 /nfs/dbraw/zinc/46/38/70/420463870.db2.gz FWTAQEUIFCPSFP-LBPRGKRZSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742034 420464569 /nfs/dbraw/zinc/46/45/69/420464569.db2.gz YOCUITYMVZVBHU-MQYJIDSJSA-N 1 3 294.399 -0.593 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000659739613 420464726 /nfs/dbraw/zinc/46/47/26/420464726.db2.gz XUDSXONZICERBV-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745649 420466301 /nfs/dbraw/zinc/46/63/01/420466301.db2.gz RZZCOWKMNXOSRF-UHFFFAOYSA-N 1 3 296.415 -0.347 20 0 CBADHO O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@]1(F)CCNC1 ZINC000583621422 420474637 /nfs/dbraw/zinc/47/46/37/420474637.db2.gz HEMWWOSDFAOOQD-SKDRFNHKSA-N 1 3 267.308 0.058 20 0 CBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000519122962 265326780 /nfs/dbraw/zinc/32/67/80/265326780.db2.gz LGQPOGXKLJVSJB-LBPRGKRZSA-N 1 3 286.420 -0.114 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[NH3+] ZINC000237027649 269579663 /nfs/dbraw/zinc/57/96/63/269579663.db2.gz PWALROUMSREKRN-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCC1 ZINC000521464279 269603211 /nfs/dbraw/zinc/60/32/11/269603211.db2.gz PXYNMWRNDNFQBR-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000070074217 277004531 /nfs/dbraw/zinc/00/45/31/277004531.db2.gz SARHKQMKJTWZIQ-VHSXEESVSA-N 1 3 256.350 -0.109 20 0 CBADHO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424330395 277056925 /nfs/dbraw/zinc/05/69/25/277056925.db2.gz HUOYAYYHDCAZKA-BFHYXJOUSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000419584462 277295449 /nfs/dbraw/zinc/29/54/49/277295449.db2.gz KVBOVYXNCDLOQH-GHMZBOCLSA-N 1 3 282.388 -0.594 20 0 CBADHO COCCN1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000344215629 277528297 /nfs/dbraw/zinc/52/82/97/277528297.db2.gz SSADHTNVSJSKAR-CYBMUJFWSA-N 1 3 271.405 -0.247 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418937895 279126826 /nfs/dbraw/zinc/12/68/26/279126826.db2.gz LFBBLASRCGWFGF-RWMBFGLXSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419150116 279135533 /nfs/dbraw/zinc/13/55/33/279135533.db2.gz LUOPYNQGVYVONU-NWDGAFQWSA-N 1 3 286.420 -0.068 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1CC1 ZINC000419509226 279189467 /nfs/dbraw/zinc/18/94/67/279189467.db2.gz DSWXUXDWXSPSCA-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419593079 279268400 /nfs/dbraw/zinc/26/84/00/279268400.db2.gz SNFPWNKUGGDGOI-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419578452 279279191 /nfs/dbraw/zinc/27/91/91/279279191.db2.gz DTVJKOJXDFRNBD-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351522901 279297258 /nfs/dbraw/zinc/29/72/58/279297258.db2.gz MMIPCGXYWPYNTL-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420040320 279307093 /nfs/dbraw/zinc/30/70/93/279307093.db2.gz OXQSWGLBEXBZFI-NEPJUHHUSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430718660 288158630 /nfs/dbraw/zinc/15/86/30/288158630.db2.gz YACQFOBWHWDBLX-BETUJISGSA-N 1 3 299.415 -0.020 20 0 CBADHO CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)CCN1 ZINC000333888065 281173228 /nfs/dbraw/zinc/17/32/28/281173228.db2.gz XNMOTIANJZYHSK-UHFFFAOYSA-N 1 3 269.393 -0.715 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000365334678 288323160 /nfs/dbraw/zinc/32/31/60/288323160.db2.gz RQEHBQOXBRMMRV-SCZZXKLOSA-N 1 3 263.345 -0.217 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC1 ZINC000419221028 289042671 /nfs/dbraw/zinc/04/26/71/289042671.db2.gz BTZAPRSXESFYPR-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000419249581 289043063 /nfs/dbraw/zinc/04/30/63/289043063.db2.gz ZGBHSNQEMZLJBP-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419814351 289126516 /nfs/dbraw/zinc/12/65/16/289126516.db2.gz IGWXZBDCDRGMCV-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351760180 289127562 /nfs/dbraw/zinc/12/75/62/289127562.db2.gz FJWMZCYOKZSRMR-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCCN(C)CC[NH+](C)C)CCNS(C)(=O)=O ZINC000344024457 289132225 /nfs/dbraw/zinc/13/22/25/289132225.db2.gz INEYFTORRJPMFX-UHFFFAOYSA-N 1 3 294.465 -0.649 20 0 CBADHO C[C@@]1(C(N)=O)CCN(CCC[N@@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361565849 289156317 /nfs/dbraw/zinc/15/63/17/289156317.db2.gz QQKXXULVEQLPSU-HUUCEWRRSA-N 1 3 296.415 -0.229 20 0 CBADHO C[C@@]1(C(N)=O)CCN(CCC[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361565849 289156321 /nfs/dbraw/zinc/15/63/21/289156321.db2.gz QQKXXULVEQLPSU-HUUCEWRRSA-N 1 3 296.415 -0.229 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000343842021 289216860 /nfs/dbraw/zinc/21/68/60/289216860.db2.gz AIBLOBXFOFDHLD-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420080965 289367659 /nfs/dbraw/zinc/36/76/59/289367659.db2.gz SKJGCHSBQBPUOJ-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431024004 290494489 /nfs/dbraw/zinc/49/44/89/290494489.db2.gz JVNTWGZYSXWGLQ-JTQLQIEISA-N 1 3 268.361 -0.094 20 0 CBADHO COC[C@H](C)NC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000361814169 293020253 /nfs/dbraw/zinc/02/02/53/293020253.db2.gz NAYOPHSKVSKEQY-TUAOUCFPSA-N 1 3 270.377 -0.002 20 0 CBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830810 299894280 /nfs/dbraw/zinc/89/42/80/299894280.db2.gz GWRVDPUOIIDJAP-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040876 298132929 /nfs/dbraw/zinc/13/29/29/298132929.db2.gz YXXXBUIALRTXOB-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO CC(C(=O)NCC1(C)CC[NH2+]CC1)S(C)(=O)=O ZINC000125640353 298148933 /nfs/dbraw/zinc/14/89/33/298148933.db2.gz RSXOZVXNGJRFHH-SECBINFHSA-N 1 3 262.375 -0.075 20 0 CBADHO CC(C(=O)NC[C@]1(C)CCC[NH2+]C1)S(C)(=O)=O ZINC000125642607 298165121 /nfs/dbraw/zinc/16/51/21/298165121.db2.gz BJAJYYBPMHCYIQ-MWLCHTKSSA-N 1 3 262.375 -0.075 20 0 CBADHO CC(C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)S(C)(=O)=O ZINC000361107207 298193284 /nfs/dbraw/zinc/19/32/84/298193284.db2.gz JSIDOENSWVMNAB-MIMYLULJSA-N 1 3 274.386 -0.076 20 0 CBADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N(C)C ZINC000071215530 298769653 /nfs/dbraw/zinc/76/96/53/298769653.db2.gz WSIJNTDVFNXVND-SNVBAGLBSA-N 1 3 280.376 -0.118 20 0 CBADHO C[C@H]1CN(CCOCCO)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343919652 300263213 /nfs/dbraw/zinc/26/32/13/300263213.db2.gz GYMFJOBZTQPKJL-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@H]1C[N@H+](CCOCCO)CC[C@@H]1N1CCN(C)CC1 ZINC000343919652 300263217 /nfs/dbraw/zinc/26/32/17/300263217.db2.gz GYMFJOBZTQPKJL-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@H]1C[N@@H+](CCOCCO)CC[C@@H]1N1CCN(C)CC1 ZINC000343919652 300263221 /nfs/dbraw/zinc/26/32/21/300263221.db2.gz GYMFJOBZTQPKJL-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474800 303268858 /nfs/dbraw/zinc/26/88/58/303268858.db2.gz YWAPKDCRXBNIAW-IVZWLZJFSA-N 1 3 254.334 -0.369 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[NH3+] ZINC000565253054 327627089 /nfs/dbraw/zinc/62/70/89/327627089.db2.gz FZCULWCKJZYYHE-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286312 327748935 /nfs/dbraw/zinc/74/89/35/327748935.db2.gz NPUIOIFBDMZTIS-RISCZKNCSA-N 1 3 287.404 -0.129 20 0 CBADHO CC1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[NH2+]C1 ZINC000570962834 327964009 /nfs/dbraw/zinc/96/40/09/327964009.db2.gz JKEHNBASGGELSB-NSHDSACASA-N 1 3 278.360 -0.490 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563450907 328066295 /nfs/dbraw/zinc/06/62/95/328066295.db2.gz JZFQPVUAEBNWME-NEPJUHHUSA-N 1 3 295.387 -0.918 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000563455976 328067717 /nfs/dbraw/zinc/06/77/17/328067717.db2.gz 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[NH3+]CCc1nc(C(=O)NC[C@H]2CNCCO2)cs1 ZINC000566249839 327260783 /nfs/dbraw/zinc/26/07/83/327260783.db2.gz OAGWHMISGLJZNC-MRVPVSSYSA-N 1 3 270.358 -0.638 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000566251274 327262179 /nfs/dbraw/zinc/26/21/79/327262179.db2.gz NUEMUKZDUDNMGE-CBAPKCEASA-N 1 3 298.309 -0.518 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566252565 327263038 /nfs/dbraw/zinc/26/30/38/327263038.db2.gz BLLZOJJMMZBANO-OCCSQVGLSA-N 1 3 267.373 -0.033 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C)C1=O ZINC000560080192 327282880 /nfs/dbraw/zinc/28/28/80/327282880.db2.gz JVLFSAMIGBVSGW-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])N(C)C1CC1 ZINC000574413095 327330973 /nfs/dbraw/zinc/33/09/73/327330973.db2.gz HMFVQAZEESKRQR-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000564991757 327343701 /nfs/dbraw/zinc/34/37/01/327343701.db2.gz 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CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+](C)C ZINC000566497120 327399668 /nfs/dbraw/zinc/39/96/68/327399668.db2.gz XBTOBGWYDVHWFG-WOPDTQHZSA-N 1 3 282.388 -0.657 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000569813624 327549083 /nfs/dbraw/zinc/54/90/83/327549083.db2.gz JMIBSKRBEYKRLF-AWEZNQCLSA-N 1 3 268.405 -0.118 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570698889 327612013 /nfs/dbraw/zinc/61/20/13/327612013.db2.gz JZTFHNWABFHMIE-UTUOFQBUSA-N 1 3 297.403 -0.687 20 0 CBADHO COC(=O)CCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582546610 329105170 /nfs/dbraw/zinc/10/51/70/329105170.db2.gz ALPKXXHOHUBQSR-TXEJJXNPSA-N 1 3 283.372 -0.403 20 0 CBADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC2CNC2)CC1 ZINC000582536506 329108457 /nfs/dbraw/zinc/10/84/57/329108457.db2.gz VIDABAYVTWNXLB-UHFFFAOYSA-N 1 3 282.388 -0.545 20 0 CBADHO COC[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582541873 329109028 /nfs/dbraw/zinc/10/90/28/329109028.db2.gz 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ZINC000574990081 330123431 /nfs/dbraw/zinc/12/34/31/330123431.db2.gz FMTAOUDGAKPBRQ-GHMZBOCLSA-N 1 3 269.345 -0.380 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000566248913 334638736 /nfs/dbraw/zinc/63/87/36/334638736.db2.gz MDYNUXGHXQHYGS-JSGCOSHPSA-N 1 3 284.404 -0.408 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2C[NH2+]CCO2)C1(C)C ZINC000569240487 334863212 /nfs/dbraw/zinc/86/32/12/334863212.db2.gz DSDNMYDPCGGJSK-GYSYKLTISA-N 1 3 285.388 -0.377 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000575763501 335113576 /nfs/dbraw/zinc/11/35/76/335113576.db2.gz VYUIRUOMNXIYRL-RYUDHWBXSA-N 1 3 270.377 -0.242 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)CCOC2CNC2)CC1 ZINC000575811203 335117874 /nfs/dbraw/zinc/11/78/74/335117874.db2.gz SIIMCDAAWHLJQV-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO COCCNCC(=O)NCCNc1cc[nH+]cc1 ZINC000575919426 335131036 /nfs/dbraw/zinc/13/10/36/335131036.db2.gz FSTQSTOVFOIFKD-UHFFFAOYSA-N 1 3 252.318 -0.732 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@H](CO)CN1CCCCC1)C1CC1 ZINC000575988187 335138867 /nfs/dbraw/zinc/13/88/67/335138867.db2.gz AIPGDFRWJDEULA-ZFWWWQNUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@H](CO)CN1CCCCC1)C1CC1 ZINC000575988187 335138868 /nfs/dbraw/zinc/13/88/68/335138868.db2.gz AIPGDFRWJDEULA-ZFWWWQNUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015627 335141800 /nfs/dbraw/zinc/14/18/00/335141800.db2.gz DPJGKNAGLPKHKB-DGCLKSJQSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108986 335155605 /nfs/dbraw/zinc/15/56/05/335155605.db2.gz HLVJOZYUDYGIPU-RDBSUJKOSA-N 1 3 280.416 -0.119 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108985 335155630 /nfs/dbraw/zinc/15/56/30/335155630.db2.gz HLVJOZYUDYGIPU-MGPQQGTHSA-N 1 3 280.416 -0.119 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)CCC[NH3+] ZINC000576109587 335155729 /nfs/dbraw/zinc/15/57/29/335155729.db2.gz XIVWWROQCZPHJK-KOLCDFICSA-N 1 3 258.366 -0.671 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000576135632 335159570 /nfs/dbraw/zinc/15/95/70/335159570.db2.gz CSEPYOZRBMXCMM-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC[C@H](O)CN1CCN(C)CC1 ZINC000576220066 335172386 /nfs/dbraw/zinc/17/23/86/335172386.db2.gz BRYZDSNVPWBRIL-GJZGRUSLSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000576220066 335172387 /nfs/dbraw/zinc/17/23/87/335172387.db2.gz BRYZDSNVPWBRIL-GJZGRUSLSA-N 1 3 286.464 -0.085 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000564325994 334103705 /nfs/dbraw/zinc/10/37/05/334103705.db2.gz DDLFWPSAWAYWRW-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000565823161 334599899 /nfs/dbraw/zinc/59/98/99/334599899.db2.gz LDOOAHIBKUENAS-LBPRGKRZSA-N 1 3 280.372 -0.839 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565845427 334602676 /nfs/dbraw/zinc/60/26/76/334602676.db2.gz YXPTXKAWTQUPBL-WDEREUQCSA-N 1 3 297.403 -0.543 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000566203157 334635383 /nfs/dbraw/zinc/63/53/83/334635383.db2.gz VJCOXTOAFUGRPL-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566236622 334637773 /nfs/dbraw/zinc/63/77/73/334637773.db2.gz HQHGRAZXGBPEEN-WDEREUQCSA-N 1 3 272.393 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567168688 334686838 /nfs/dbraw/zinc/68/68/38/334686838.db2.gz TWZVHSLHNJAVJR-YWVKMMECSA-N 1 3 258.366 -0.672 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000567350361 334707038 /nfs/dbraw/zinc/70/70/38/334707038.db2.gz BZKCXIXECGDDCU-CQSZACIVSA-N 1 3 267.373 -0.033 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000567908166 334774494 /nfs/dbraw/zinc/77/44/94/334774494.db2.gz ZEKKIZCVOBPBKU-SCVCMEIPSA-N 1 3 270.377 -0.718 20 0 CBADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568267881 334810732 /nfs/dbraw/zinc/81/07/32/334810732.db2.gz NWACLHHXCOHABE-RVMXOQNASA-N 1 3 294.399 -0.609 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000568766023 334839960 /nfs/dbraw/zinc/83/99/60/334839960.db2.gz GHWJXQPCIWMUBK-AAEUAGOBSA-N 1 3 270.377 -0.717 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000569220641 334862038 /nfs/dbraw/zinc/86/20/38/334862038.db2.gz ZXOYXZPMZKYADU-AXFHLTTASA-N 1 3 271.361 -0.147 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000569220644 334862071 /nfs/dbraw/zinc/86/20/71/334862071.db2.gz ZXOYXZPMZKYADU-VWYCJHECSA-N 1 3 271.361 -0.147 20 0 CBADHO CC(C)(N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572716535 334873678 /nfs/dbraw/zinc/87/36/78/334873678.db2.gz XDAISQOEJQHUNU-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576359432 335194407 /nfs/dbraw/zinc/19/44/07/335194407.db2.gz AZUGUBBFICACJQ-JHJVBQTASA-N 1 3 294.399 -0.369 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576359432 335194408 /nfs/dbraw/zinc/19/44/08/335194408.db2.gz AZUGUBBFICACJQ-JHJVBQTASA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)CN1 ZINC000576374239 335196176 /nfs/dbraw/zinc/19/61/76/335196176.db2.gz VNCDZBKVDQYTKA-WOPDTQHZSA-N 1 3 269.393 -0.718 20 0 CBADHO C1C[C@@H]([C@H]2COCCN2)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000576399517 335198856 /nfs/dbraw/zinc/19/88/56/335198856.db2.gz MUEVPHQCOWDXRZ-WCQYUDONSA-N 1 3 251.374 -0.049 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CCC(=O)OC ZINC000576871292 335258041 /nfs/dbraw/zinc/25/80/41/335258041.db2.gz AJZTUCWAYDQXCX-SECBINFHSA-N 1 3 259.350 -0.099 20 0 CBADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000576863388 335257079 /nfs/dbraw/zinc/25/70/79/335257079.db2.gz LISJBFFPUMEUML-QMMMGPOBSA-N 1 3 280.294 -0.570 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992345 335274961 /nfs/dbraw/zinc/27/49/61/335274961.db2.gz JXKANTCHGAVKTQ-IACUBPJLSA-N 1 3 272.389 -0.181 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@H](CO)[C@H]1CCCOC1)C1CC1 ZINC000576992345 335274963 /nfs/dbraw/zinc/27/49/63/335274963.db2.gz JXKANTCHGAVKTQ-IACUBPJLSA-N 1 3 272.389 -0.181 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000577106598 335301083 /nfs/dbraw/zinc/30/10/83/335301083.db2.gz GITWXUJOBKUQCX-AWEZNQCLSA-N 1 3 274.368 -0.077 20 0 CBADHO C[C@]1(CNC(=O)C[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000577176438 335316312 /nfs/dbraw/zinc/31/63/12/335316312.db2.gz PRHYWXUWLYGJFJ-YPMHNXCESA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000577270576 335332607 /nfs/dbraw/zinc/33/26/07/335332607.db2.gz NEFKJEMIQRAJBL-RTXFEEFZSA-N 1 3 294.399 -0.465 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000577389752 335341079 /nfs/dbraw/zinc/34/10/79/335341079.db2.gz PVWKDLOMJHQJLD-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577530749 335365921 /nfs/dbraw/zinc/36/59/21/335365921.db2.gz NVBZGQYHTLILFR-GRYCIOLGSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H](C(=O)NC(N)=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374865 335371321 /nfs/dbraw/zinc/37/13/21/335371321.db2.gz HVAWCROAWMSZQG-NSHDSACASA-N 1 3 299.419 -0.472 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCC1=CC[NH2+]CC1 ZINC000577601562 335376374 /nfs/dbraw/zinc/37/63/74/335376374.db2.gz VOZQGUQIWXSVRE-GFCCVEGCSA-N 1 3 253.346 -0.209 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577727954 335393051 /nfs/dbraw/zinc/39/30/51/335393051.db2.gz JXTWAUGAEFCDHQ-NXEZZACHSA-N 1 3 257.334 -0.475 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000577740970 335395043 /nfs/dbraw/zinc/39/50/43/335395043.db2.gz LOUMVFYLQIESON-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000577740970 335395044 /nfs/dbraw/zinc/39/50/44/335395044.db2.gz LOUMVFYLQIESON-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO COCCNCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578131126 335511429 /nfs/dbraw/zinc/51/14/29/335511429.db2.gz DOLWSNONHGYFHK-FOSCPWQOSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578490140 335640067 /nfs/dbraw/zinc/64/00/67/335640067.db2.gz NVPDUGFIBJAVPV-QJPTWQEYSA-N 1 3 269.393 -0.718 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000578507465 335642534 /nfs/dbraw/zinc/64/25/34/335642534.db2.gz RUFWTDCDQAOMBM-QWRGUYRKSA-N 1 3 296.415 -0.029 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000578507466 335642653 /nfs/dbraw/zinc/64/26/53/335642653.db2.gz RUFWTDCDQAOMBM-WDEREUQCSA-N 1 3 296.415 -0.029 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000578509023 335642811 /nfs/dbraw/zinc/64/28/11/335642811.db2.gz OQJCLVCRANGJHO-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580775400 335965359 /nfs/dbraw/zinc/96/53/59/335965359.db2.gz VECCSQXSUOERQQ-LOWVWBTDSA-N 1 3 282.388 -0.704 20 0 CBADHO CCN1CCC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000581061071 336002030 /nfs/dbraw/zinc/00/20/30/336002030.db2.gz FKUMGDXYBANNLH-NNYUYHANSA-N 1 3 252.362 -0.012 20 0 CBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(CC2CC2)CC1 ZINC000380604503 336004260 /nfs/dbraw/zinc/00/42/60/336004260.db2.gz FOGFWZLKLDNICT-HNNXBMFYSA-N 1 3 285.432 -0.047 20 0 CBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(CC2CC2)CC1 ZINC000380604503 336004261 /nfs/dbraw/zinc/00/42/61/336004261.db2.gz FOGFWZLKLDNICT-HNNXBMFYSA-N 1 3 285.432 -0.047 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000581193981 336022777 /nfs/dbraw/zinc/02/27/77/336022777.db2.gz ZCUKCAIDMUNJGT-LOWVWBTDSA-N 1 3 284.404 -0.471 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000581193982 336022798 /nfs/dbraw/zinc/02/27/98/336022798.db2.gz ZCUKCAIDMUNJGT-MDZLAQPJSA-N 1 3 284.404 -0.471 20 0 CBADHO O=C(CNC1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581427993 336075794 /nfs/dbraw/zinc/07/57/94/336075794.db2.gz XZSYKSSQSAOJMR-LBPRGKRZSA-N 1 3 252.362 -0.756 20 0 CBADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CCN(C)CC1 ZINC000382974058 336100497 /nfs/dbraw/zinc/10/04/97/336100497.db2.gz SAPZSLYSBCIZPI-GFCCVEGCSA-N 1 3 268.405 -0.119 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1CN ZINC000581716184 336136032 /nfs/dbraw/zinc/13/60/32/336136032.db2.gz QLPIIHATHHECPK-VXGBXAGGSA-N 1 3 271.409 -0.212 20 0 CBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CNC2)([NH+](C)C)C1 ZINC000581874596 336156385 /nfs/dbraw/zinc/15/63/85/336156385.db2.gz TYDVZTAPFXVEBB-IAQYHMDHSA-N 1 3 296.415 -0.299 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000581955468 336179074 /nfs/dbraw/zinc/17/90/74/336179074.db2.gz LVAULISYTBEONA-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000354694749 533891621 /nfs/dbraw/zinc/89/16/21/533891621.db2.gz QTPKLFYMSIERBI-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO CCC[NH+]1CCC(N2CCN(C(=O)CN)CC2)CC1 ZINC000378205656 528197351 /nfs/dbraw/zinc/19/73/51/528197351.db2.gz NPHLBMBAVRVPNA-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000505899981 529038278 /nfs/dbraw/zinc/03/82/78/529038278.db2.gz BVBXREPAGPOEAT-UMNHJUIQSA-N 1 3 270.377 -0.705 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357234546 535705221 /nfs/dbraw/zinc/70/52/21/535705221.db2.gz AYHOHZSPBSORAF-QWHCGFSZSA-N 1 3 270.421 -0.029 20 0 CBADHO C[NH+](C)CCN(C(=O)[C@H]1CN2CCN1CCC2)C1CC1 ZINC000356290740 535845850 /nfs/dbraw/zinc/84/58/50/535845850.db2.gz DERJFSTZCBOPDJ-CQSZACIVSA-N 1 3 280.416 -0.071 20 0 CBADHO CN1CCN(C(=O)CCCCCC[NH3+])[C@@H](CN)C1 ZINC000834299221 583119849 /nfs/dbraw/zinc/11/98/49/583119849.db2.gz MWGQLLGNLUMDQG-LBPRGKRZSA-N 1 3 256.394 -0.003 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729529206 582146901 /nfs/dbraw/zinc/14/69/01/582146901.db2.gz NELNDSSBZZSGNL-YNEHKIRRSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729529206 582146903 /nfs/dbraw/zinc/14/69/03/582146903.db2.gz NELNDSSBZZSGNL-YNEHKIRRSA-N 1 3 267.373 -0.083 20 0 CBADHO NC(=O)C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498529 582299486 /nfs/dbraw/zinc/29/94/86/582299486.db2.gz LQGPGWUIOUGNBG-ZIAGYGMSSA-N 1 3 299.415 -0.297 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC000762715436 582318025 /nfs/dbraw/zinc/31/80/25/582318025.db2.gz HEQPWHFSYLNZOW-CYBMUJFWSA-N 1 3 257.378 -0.099 20 0 CBADHO CNC(=O)[C@]1(C)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797525456 582413696 /nfs/dbraw/zinc/41/36/96/582413696.db2.gz MXWHMTAICZMQMM-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C)CC[N@H+](C)CCCN(C)[C@H]1CCC(=O)NC1=O ZINC000808781765 582444522 /nfs/dbraw/zinc/44/45/22/582444522.db2.gz OYNVIZIXHYOEMB-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)CC[N@@H+](C)CCCN(C)[C@H]1CCC(=O)NC1=O ZINC000808781765 582444523 /nfs/dbraw/zinc/44/45/23/582444523.db2.gz OYNVIZIXHYOEMB-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO Cn1ncc(CNCCCN2CCC[N@H+](C)CC2)n1 ZINC000815123681 582461141 /nfs/dbraw/zinc/46/11/41/582461141.db2.gz LJCUYLFAGPMCJL-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO Cn1ncc(CNCCCN2CCC[N@@H+](C)CC2)n1 ZINC000815123681 582461142 /nfs/dbraw/zinc/46/11/42/582461142.db2.gz LJCUYLFAGPMCJL-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO COC(OC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824400494 582696194 /nfs/dbraw/zinc/69/61/94/582696194.db2.gz AYVZKOOYHYYQLD-NSHDSACASA-N 1 3 275.393 -0.007 20 0 CBADHO COC(OC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824400494 582696196 /nfs/dbraw/zinc/69/61/96/582696196.db2.gz AYVZKOOYHYYQLD-NSHDSACASA-N 1 3 275.393 -0.007 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]1(F)CC[NH2+]C1 ZINC000827936228 582836206 /nfs/dbraw/zinc/83/62/06/582836206.db2.gz GZXVLWHOIDRKSM-NQBHXWOUSA-N 1 3 271.336 -0.333 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000827936146 582836248 /nfs/dbraw/zinc/83/62/48/582836248.db2.gz FPENSSYOQOXLJD-GUIRCDHDSA-N 1 3 279.384 -0.035 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]1(F)CC[NH2+]C1 ZINC000827936227 582836328 /nfs/dbraw/zinc/83/63/28/582836328.db2.gz GZXVLWHOIDRKSM-LOWVWBTDSA-N 1 3 271.336 -0.333 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCO ZINC000829749128 582897418 /nfs/dbraw/zinc/89/74/18/582897418.db2.gz DAWCYJZIXUKABF-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCO ZINC000829749128 582897420 /nfs/dbraw/zinc/89/74/20/582897420.db2.gz DAWCYJZIXUKABF-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@]1(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000831031361 582950811 /nfs/dbraw/zinc/95/08/11/582950811.db2.gz OJTOBBMSBKNHAB-BZPMIXESSA-N 1 3 282.388 -0.099 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)c1[nH]nc2c1CNCC2 ZINC000832828504 583049477 /nfs/dbraw/zinc/04/94/77/583049477.db2.gz DDOBNBSLHVFBEM-SECBINFHSA-N 1 3 263.345 -0.121 20 0 CBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000834861187 583137965 /nfs/dbraw/zinc/13/79/65/583137965.db2.gz GGSAWCNUKYFPQD-RKDXNWHRSA-N 1 3 263.345 -0.087 20 0 CBADHO CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC([NH3+])C1 ZINC000841790482 583174086 /nfs/dbraw/zinc/17/40/86/583174086.db2.gz XIBNWFVLYXLXEN-POOIEITISA-N 1 3 282.388 -0.019 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCC[NH2+]C1 ZINC000841790760 583174667 /nfs/dbraw/zinc/17/46/67/583174667.db2.gz JDIBMNFFJJBZMD-UPJWGTAASA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000841849254 583174843 /nfs/dbraw/zinc/17/48/43/583174843.db2.gz FHPYYBBJFNOJRZ-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1NCCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000841850194 583175187 /nfs/dbraw/zinc/17/51/87/583175187.db2.gz CWYSUDOCYUMNSG-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC000841854705 583175191 /nfs/dbraw/zinc/17/51/91/583175191.db2.gz GJYMTPMDRQDKQY-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841850195 583175340 /nfs/dbraw/zinc/17/53/40/583175340.db2.gz CWYSUDOCYUMNSG-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000842014296 583177628 /nfs/dbraw/zinc/17/76/28/583177628.db2.gz BUWQELYUHKIDIL-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N1CCCCC1 ZINC000842014839 583177702 /nfs/dbraw/zinc/17/77/02/583177702.db2.gz FLVOXXQPEKZIPS-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015836 583178092 /nfs/dbraw/zinc/17/80/92/583178092.db2.gz ONBSZXGPHHFXFX-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCCCC1 ZINC000842015447 583178112 /nfs/dbraw/zinc/17/81/12/583178112.db2.gz LMJDNJDEOFSXCQ-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@]3(F)CCNC3)C[C@H]2[NH3+])cn1 ZINC000842514614 583184950 /nfs/dbraw/zinc/18/49/50/583184950.db2.gz GDKOOKBJWZHWKW-LOWVWBTDSA-N 1 3 281.335 -0.625 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(F)CCNC1 ZINC000843339240 583210502 /nfs/dbraw/zinc/21/05/02/583210502.db2.gz YSUGMNMGRFVSBN-GFCCVEGCSA-N 1 3 258.341 -0.948 20 0 CBADHO CN(CC(=O)N1CCNC(=O)C1)C1CCC([NH3+])CC1 ZINC000843353503 583211769 /nfs/dbraw/zinc/21/17/69/583211769.db2.gz AIVRAKIXQJDAJG-UHFFFAOYSA-N 1 3 268.361 -0.854 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843364424 583212631 /nfs/dbraw/zinc/21/26/31/583212631.db2.gz BMHVRQOVWSYBBV-UHFFFAOYSA-N 1 3 283.372 -0.259 20 0 CBADHO CC[NH2+]CC(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000843494970 583229219 /nfs/dbraw/zinc/22/92/19/583229219.db2.gz XOXJEWZZUBSCNX-UHFFFAOYSA-N 1 3 285.388 -0.013 20 0 CBADHO O=C(CO[C@H]1CCC[NH2+]C1)NCCCN1CCC(O)CC1 ZINC000844172815 583256724 /nfs/dbraw/zinc/25/67/24/583256724.db2.gz ZYQFGVFFZLBZEY-AWEZNQCLSA-N 1 3 299.415 -0.282 20 0 CBADHO CCNCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000844189219 583259868 /nfs/dbraw/zinc/25/98/68/583259868.db2.gz JKTDTTLIRQFTKM-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO [NH3+]CCCCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848603922 583451408 /nfs/dbraw/zinc/45/14/08/583451408.db2.gz CDGMRESSBDCUBZ-QWHCGFSZSA-N 1 3 284.404 -0.034 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848614796 583452937 /nfs/dbraw/zinc/45/29/37/583452937.db2.gz XPQLARDNMVUCMF-SDDRHHMPSA-N 1 3 282.388 -0.417 20 0 CBADHO CS(=O)(=O)CCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000848717648 583456427 /nfs/dbraw/zinc/45/64/27/583456427.db2.gz CNLKPSZVUOALPA-QWRGUYRKSA-N 1 3 264.391 -0.093 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOCC1 ZINC000848980716 583463858 /nfs/dbraw/zinc/46/38/58/583463858.db2.gz LAWPRVCYLVPJQS-CYBMUJFWSA-N 1 3 283.420 -0.083 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)C ZINC000848982048 583463981 /nfs/dbraw/zinc/46/39/81/583463981.db2.gz OPQSFWQKFCDQRI-JTQLQIEISA-N 1 3 255.366 -0.327 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CO)COC1 ZINC000849014217 583468187 /nfs/dbraw/zinc/46/81/87/583468187.db2.gz OZTOIHAWZYYLTA-NSHDSACASA-N 1 3 270.377 -0.406 20 0 CBADHO CN(C)CCN(C)CCCNC(=[NH2+])N1CCOCC1 ZINC000849028147 583469593 /nfs/dbraw/zinc/46/95/93/583469593.db2.gz GKWOESIYECNGSO-UHFFFAOYSA-N 1 3 271.409 -0.274 20 0 CBADHO CNC(=[NH2+])NCC(=O)NCCN1CCCCCC1 ZINC000849031038 583469876 /nfs/dbraw/zinc/46/98/76/583469876.db2.gz SNJOUWJNMVTOLQ-UHFFFAOYSA-N 1 3 255.366 -0.278 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CNC(=O)C1 ZINC000849041475 583471451 /nfs/dbraw/zinc/47/14/51/583471451.db2.gz GMXSGOBONMJEEO-WDEREUQCSA-N 1 3 267.377 -0.279 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048491 583471938 /nfs/dbraw/zinc/47/19/38/583471938.db2.gz IBLPEEWBORERPV-DGCLKSJQSA-N 1 3 272.393 -0.018 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048495 583472045 /nfs/dbraw/zinc/47/20/45/583472045.db2.gz IBLPEEWBORERPV-YPMHNXCESA-N 1 3 272.393 -0.018 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000851687290 583521644 /nfs/dbraw/zinc/52/16/44/583521644.db2.gz PTIDIDRLQZYHTM-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852790050 583552717 /nfs/dbraw/zinc/55/27/17/583552717.db2.gz NRRFLRZYARSVFR-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852791748 583552741 /nfs/dbraw/zinc/55/27/41/583552741.db2.gz LQJLIELXIDEJLQ-MWLCHTKSSA-N 1 3 292.339 -0.085 20 0 CBADHO C[NH2+]CC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852796012 583552959 /nfs/dbraw/zinc/55/29/59/583552959.db2.gz OMLLXXCRFNCJGQ-SNVBAGLBSA-N 1 3 254.334 -0.452 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC(OCCC[NH3+])CC2)=NO1 ZINC000852798701 583553274 /nfs/dbraw/zinc/55/32/74/583553274.db2.gz NPELNNNRKPJQBQ-NSHDSACASA-N 1 3 284.360 -0.554 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])=NO1 ZINC000852797723 583553331 /nfs/dbraw/zinc/55/33/31/583553331.db2.gz ACDGPZJOQRMDGW-UTLUCORTSA-N 1 3 254.334 -0.276 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852798962 583553357 /nfs/dbraw/zinc/55/33/57/583553357.db2.gz PNKMXYXTXUOHEW-AEJSXWLSSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)[C@H]1C[NH3+] ZINC000852798185 583553361 /nfs/dbraw/zinc/55/33/61/583553361.db2.gz HIJOMHOUSOWYEQ-YWVKMMECSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@@H](C)N1 ZINC000852824683 583556608 /nfs/dbraw/zinc/55/66/08/583556608.db2.gz DWVJZXZTNPBJRH-IJLUTSLNSA-N 1 3 267.373 -0.036 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)NCCN2CCCCC2)=NO1 ZINC000852857544 583561697 /nfs/dbraw/zinc/56/16/97/583561697.db2.gz WWFPXKHFPCRTSU-JTQLQIEISA-N 1 3 254.334 -0.308 20 0 CBADHO NC[C@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)=NO1 ZINC000852860808 583562558 /nfs/dbraw/zinc/56/25/58/583562558.db2.gz VIPZMWOWCWOIDQ-GXSJLCMTSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@H]1CC(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)=NO1 ZINC000852860808 583562560 /nfs/dbraw/zinc/56/25/60/583562560.db2.gz VIPZMWOWCWOIDQ-GXSJLCMTSA-N 1 3 266.345 -0.310 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852860628 583562590 /nfs/dbraw/zinc/56/25/90/583562590.db2.gz TUPNWJWOZSSAMT-MNOVXSKESA-N 1 3 268.361 -0.110 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852860628 583562591 /nfs/dbraw/zinc/56/25/91/583562591.db2.gz TUPNWJWOZSSAMT-MNOVXSKESA-N 1 3 268.361 -0.110 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852864607 583563595 /nfs/dbraw/zinc/56/35/95/583563595.db2.gz BIVIPVHBSGIUKV-ZJUUUORDSA-N 1 3 254.334 -0.357 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)=NO1 ZINC000852864321 583563643 /nfs/dbraw/zinc/56/36/43/583563643.db2.gz SAGGFTDLMNKIMD-OUAUKWLOSA-N 1 3 282.344 -0.931 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852864606 583563652 /nfs/dbraw/zinc/56/36/52/583563652.db2.gz BIVIPVHBSGIUKV-VHSXEESVSA-N 1 3 254.334 -0.357 20 0 CBADHO CC[N@H+](CCNC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852864645 583563765 /nfs/dbraw/zinc/56/37/65/583563765.db2.gz CMCADLUVTSBKBV-JTQLQIEISA-N 1 3 254.334 -0.310 20 0 CBADHO CC[N@@H+](CCNC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852864645 583563767 /nfs/dbraw/zinc/56/37/67/583563767.db2.gz CMCADLUVTSBKBV-JTQLQIEISA-N 1 3 254.334 -0.310 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865148 583564111 /nfs/dbraw/zinc/56/41/11/583564111.db2.gz SLMFQYRLPVWQME-MNOVXSKESA-N 1 3 284.360 -0.683 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852865232 583564135 /nfs/dbraw/zinc/56/41/35/583564135.db2.gz WMMAPXVASQOQBC-LBPRGKRZSA-N 1 3 298.387 -0.293 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852871067 583565041 /nfs/dbraw/zinc/56/50/41/583565041.db2.gz UTKVJOVKFOMGOK-SNVBAGLBSA-N 1 3 272.349 -0.826 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852871067 583565043 /nfs/dbraw/zinc/56/50/43/583565043.db2.gz UTKVJOVKFOMGOK-SNVBAGLBSA-N 1 3 272.349 -0.826 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870791 583565123 /nfs/dbraw/zinc/56/51/23/583565123.db2.gz YEIWPSDZRNOVNG-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870791 583565125 /nfs/dbraw/zinc/56/51/25/583565125.db2.gz YEIWPSDZRNOVNG-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872396 583565572 /nfs/dbraw/zinc/56/55/72/583565572.db2.gz FVBWRNMLGXEZJL-VXGBXAGGSA-N 1 3 297.403 -0.768 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC[C@H](CC[NH3+])C2)=NO1 ZINC000852879794 583566740 /nfs/dbraw/zinc/56/67/40/583566740.db2.gz ZMWVDNKHNWMBCY-NXEZZACHSA-N 1 3 254.334 -0.323 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880608 583566764 /nfs/dbraw/zinc/56/67/64/583566764.db2.gz NVIJTQZBYGPQCJ-RYUDHWBXSA-N 1 3 280.372 -0.062 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC3(CC[NH2+]C3)CC2)=NO1 ZINC000852880895 583566768 /nfs/dbraw/zinc/56/67/68/583566768.db2.gz FTYPMKBRVJNINV-JTQLQIEISA-N 1 3 266.345 -0.308 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881721 583567016 /nfs/dbraw/zinc/56/70/16/583567016.db2.gz OLXMTQQSJFDKHG-PSASIEDQSA-N 1 3 252.318 -0.652 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H](CC[NH3+])C(F)F)=NO1 ZINC000852882015 583567071 /nfs/dbraw/zinc/56/70/71/583567071.db2.gz VRWMIJACRLZGFD-PHDIDXHHSA-N 1 3 250.249 -0.811 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)=NO1 ZINC000852881996 583567132 /nfs/dbraw/zinc/56/71/32/583567132.db2.gz VBJBOAHPOUAYIP-LPEHRKFASA-N 1 3 252.318 -0.700 20 0 CBADHO NC[C@@H]1CC(C(=O)NCCC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852882616 583567369 /nfs/dbraw/zinc/56/73/69/583567369.db2.gz MXCXRZGFNZRVPF-UWVGGRQHSA-N 1 3 254.334 -0.262 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882646 583567389 /nfs/dbraw/zinc/56/73/89/583567389.db2.gz NRPIFXJMUYTREE-UTUOFQBUSA-N 1 3 280.372 -0.062 20 0 CBADHO C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C[C@H]1C[NH3+] ZINC000852890372 583570054 /nfs/dbraw/zinc/57/00/54/583570054.db2.gz JIDDWFWBCKVNRR-BBBLOLIVSA-N 1 3 254.334 -0.467 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1C[NH3+] ZINC000852892577 583570385 /nfs/dbraw/zinc/57/03/85/583570385.db2.gz IDCPNABABOAERO-LMLFDSFASA-N 1 3 268.361 -0.078 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC3(CC[NH2+]3)CC2)=NO1 ZINC000852892087 583570461 /nfs/dbraw/zinc/57/04/61/583570461.db2.gz ANHZWACPTPDBQL-VIFPVBQESA-N 1 3 252.318 -0.556 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893776 583570670 /nfs/dbraw/zinc/57/06/70/583570670.db2.gz JUTSAHIHACYSEF-KOLCDFICSA-N 1 3 266.345 -0.119 20 0 CBADHO NC[C@@H]1CC(C(=O)NCc2ccc(C[NH3+])cc2)=NO1 ZINC000852894619 583570937 /nfs/dbraw/zinc/57/09/37/583570937.db2.gz LWDQOYOBXJIIDV-NSHDSACASA-N 1 3 262.313 -0.135 20 0 CBADHO O=C(C=C1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000852998347 583576833 /nfs/dbraw/zinc/57/68/33/583576833.db2.gz PIUSRKQCBUOXAL-UHFFFAOYSA-N 1 3 251.330 -0.503 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1COC(=O)N1 ZINC000855347089 583636584 /nfs/dbraw/zinc/63/65/84/583636584.db2.gz SNINPTSKNKSLLG-WDEREUQCSA-N 1 3 286.376 -0.517 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1COC(=O)N1 ZINC000855347089 583636585 /nfs/dbraw/zinc/63/65/85/583636585.db2.gz SNINPTSKNKSLLG-WDEREUQCSA-N 1 3 286.376 -0.517 20 0 CBADHO C[C@H](CNC(=O)NCC[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000857102604 583664447 /nfs/dbraw/zinc/66/44/47/583664447.db2.gz FARUIEBEWQRNTI-OLZOCXBDSA-N 1 3 285.436 -0.094 20 0 CBADHO COCCN(C)CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861557432 583770618 /nfs/dbraw/zinc/77/06/18/583770618.db2.gz YLFFMMCAMOXLBA-LLVKDONJSA-N 1 3 260.382 -0.057 20 0 CBADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861572686 583771132 /nfs/dbraw/zinc/77/11/32/583771132.db2.gz WOSYGROAOWBZCK-VXGBXAGGSA-N 1 3 270.377 -0.160 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861574837 583771263 /nfs/dbraw/zinc/77/12/63/583771263.db2.gz ZAXZNNXLVFMLGE-ZDEQEGDKSA-N 1 3 282.388 -0.101 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000861592579 583771943 /nfs/dbraw/zinc/77/19/43/583771943.db2.gz NRUBCQVILHDEJF-CHWSQXEVSA-N 1 3 285.436 -0.142 20 0 CBADHO CCN(CC[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000861646009 583775250 /nfs/dbraw/zinc/77/52/50/583775250.db2.gz NMEVIPILCFLNPV-MRVPVSSYSA-N 1 3 250.293 -0.026 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000861645753 583775256 /nfs/dbraw/zinc/77/52/56/583775256.db2.gz IDSDCKRTNUKJIG-SECBINFHSA-N 1 3 280.319 -0.481 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861732136 583782203 /nfs/dbraw/zinc/78/22/03/583782203.db2.gz HUKBKDVBGVFBOT-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000861757132 583784589 /nfs/dbraw/zinc/78/45/89/583784589.db2.gz MYSNAMLLXBQOHD-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861763205 583785141 /nfs/dbraw/zinc/78/51/41/583785141.db2.gz LXLDNYQPSCWSSZ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861786716 583786616 /nfs/dbraw/zinc/78/66/16/583786616.db2.gz OSRARINWWITZBA-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CCOC(=O)[C@H]1NCC[C@H]1NCCOCCC[NH3+] ZINC000863548230 583846093 /nfs/dbraw/zinc/84/60/93/583846093.db2.gz VYAVICJISCFBSI-MNOVXSKESA-N 1 3 259.350 -0.765 20 0 CBADHO O=C1OCCN1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000863551219 583846305 /nfs/dbraw/zinc/84/63/05/583846305.db2.gz DRQPOQVPGWALII-LBPRGKRZSA-N 1 3 271.361 -0.125 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000863751663 583852488 /nfs/dbraw/zinc/85/24/88/583852488.db2.gz NCYDJHXZRMAAEM-GHMZBOCLSA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000863752389 583852804 /nfs/dbraw/zinc/85/28/04/583852804.db2.gz DLOWPLWOFBLQCE-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863753545 583852836 /nfs/dbraw/zinc/85/28/36/583852836.db2.gz YDDIMAOZMNOAKD-LBPRGKRZSA-N 1 3 286.420 -0.162 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000863754974 583853016 /nfs/dbraw/zinc/85/30/16/583853016.db2.gz XVUFAROMYXHDPD-NWDGAFQWSA-N 1 3 282.388 -0.511 20 0 CBADHO CN(C)C(=O)CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712143 583928022 /nfs/dbraw/zinc/92/80/22/583928022.db2.gz RFDJAYZEHGUHKZ-UTUOFQBUSA-N 1 3 296.371 -0.668 20 0 CBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000866708170 583928135 /nfs/dbraw/zinc/92/81/35/583928135.db2.gz DCDWEKNLFHJSSB-QNWHQSFQSA-N 1 3 281.356 -0.110 20 0 CBADHO COC[C@H](C)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714121 583928381 /nfs/dbraw/zinc/92/83/81/583928381.db2.gz GSBMBKKKSVJEMM-YFKTTZPYSA-N 1 3 269.345 -0.112 20 0 CBADHO O=C1NCCO[C@@H]2CCCN(CC[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717907 583928572 /nfs/dbraw/zinc/92/85/72/583928572.db2.gz TZTTZYAGNZOKRU-JHJVBQTASA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+]CCN(C)S(=O)(=O)CCCN1CCCC1 ZINC000866760532 583930814 /nfs/dbraw/zinc/93/08/14/583930814.db2.gz VVDBISBHOVSWPX-UHFFFAOYSA-N 1 3 263.407 -0.047 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CCC1(C)C ZINC000868404827 583977729 /nfs/dbraw/zinc/97/77/29/583977729.db2.gz GQGKTNFKUHEZLZ-UHFFFAOYSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868407585 583978163 /nfs/dbraw/zinc/97/81/63/583978163.db2.gz YCLQGJHTLFKBIP-NSHDSACASA-N 1 3 284.404 -0.265 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CNCCO3)CC[C@@H]21 ZINC000870981243 584023848 /nfs/dbraw/zinc/02/38/48/584023848.db2.gz GTMYURWLSKUALF-AGIUHOORSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CNCCO3)CC[C@@H]21 ZINC000870981243 584023851 /nfs/dbraw/zinc/02/38/51/584023851.db2.gz GTMYURWLSKUALF-AGIUHOORSA-N 1 3 267.373 -0.083 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999808 584024694 /nfs/dbraw/zinc/02/46/94/584024694.db2.gz PXFTUSPCAYTMNP-WHOHXGKFSA-N 1 3 296.371 -0.637 20 0 CBADHO Cn1nnnc1C1CCN(CCOCC[NH3+])CC1 ZINC000872146230 584048056 /nfs/dbraw/zinc/04/80/56/584048056.db2.gz IVBSPTLLTPVQFK-UHFFFAOYSA-N 1 3 254.338 -0.635 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872218197 584050718 /nfs/dbraw/zinc/05/07/18/584050718.db2.gz KWYNXQXCOABEKD-KBPBESRZSA-N 1 3 285.432 -0.122 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@]12COC(=O)N1CCOC2 ZINC000873248329 584069055 /nfs/dbraw/zinc/06/90/55/584069055.db2.gz DBOHAABGBCJIOV-LOWVWBTDSA-N 1 3 269.345 -0.075 20 0 CBADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248329 584069058 /nfs/dbraw/zinc/06/90/58/584069058.db2.gz DBOHAABGBCJIOV-LOWVWBTDSA-N 1 3 269.345 -0.075 20 0 CBADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873250954 584069105 /nfs/dbraw/zinc/06/91/05/584069105.db2.gz UCIXNQSDYHWDOG-FOGDFJRCSA-N 1 3 255.318 -0.323 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC[C@]23COCCN2C(=O)COC3)C1 ZINC000873266327 584069481 /nfs/dbraw/zinc/06/94/81/584069481.db2.gz MOPMHXURJONETF-MBNYWOFBSA-N 1 3 283.372 -0.526 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876745070 584142086 /nfs/dbraw/zinc/14/20/86/584142086.db2.gz YPZOFERSIFZYSP-LPWJVIDDSA-N 1 3 285.363 -0.087 20 0 CBADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCOC1 ZINC000876743771 584142151 /nfs/dbraw/zinc/14/21/51/584142151.db2.gz IMKIHGQROBSONG-GZBFAFLISA-N 1 3 297.399 -0.279 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876753959 584142485 /nfs/dbraw/zinc/14/24/85/584142485.db2.gz LESJVCNOCZGXBH-NEPJUHHUSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876753959 584142486 /nfs/dbraw/zinc/14/24/86/584142486.db2.gz LESJVCNOCZGXBH-NEPJUHHUSA-N 1 3 254.378 -0.524 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876756829 584142920 /nfs/dbraw/zinc/14/29/20/584142920.db2.gz ZNNCDBSTBABCSN-GUBZILKMSA-N 1 3 277.315 -0.337 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876776991 584143920 /nfs/dbraw/zinc/14/39/20/584143920.db2.gz MTLAGNUSPCVLOD-ZDUSSCGKSA-N 1 3 285.436 -0.983 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876782247 584144331 /nfs/dbraw/zinc/14/43/31/584144331.db2.gz VBBXGIZDWIGVAQ-OLZOCXBDSA-N 1 3 286.395 -0.312 20 0 CBADHO COCCNCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876791975 584144821 /nfs/dbraw/zinc/14/48/21/584144821.db2.gz KUQHLXSGDFIPAV-YUMQZZPRSA-N 1 3 251.277 -0.821 20 0 CBADHO O=C(CN1CC[NH2+]CC1)NC[C@@H]1NCCc2ccccc21 ZINC000876845197 584148896 /nfs/dbraw/zinc/14/88/96/584148896.db2.gz AYVHVZRNSOYMIA-HNNXBMFYSA-N 1 3 288.395 -0.105 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000876850043 584149734 /nfs/dbraw/zinc/14/97/34/584149734.db2.gz GBAALXFRMIDIHN-WCQYABFASA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000876869737 584151611 /nfs/dbraw/zinc/15/16/11/584151611.db2.gz COMNFOKRHSJVDB-BQBZGAKWSA-N 1 3 256.272 -0.729 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876878533 584152515 /nfs/dbraw/zinc/15/25/15/584152515.db2.gz FVMIXMWIVRVQJN-UWVGGRQHSA-N 1 3 279.331 -0.137 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876890390 584153600 /nfs/dbraw/zinc/15/36/00/584153600.db2.gz XVKSYEWBBZZIIE-QWRGUYRKSA-N 1 3 261.341 -0.372 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876965625 584158598 /nfs/dbraw/zinc/15/85/98/584158598.db2.gz JGOVJTUJHDFCIL-NEPJUHHUSA-N 1 3 298.431 -0.162 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000877107992 584166484 /nfs/dbraw/zinc/16/64/84/584166484.db2.gz NUELWWFJIBPGBE-JTQLQIEISA-N 1 3 253.350 -0.136 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC000877243817 584171875 /nfs/dbraw/zinc/17/18/75/584171875.db2.gz OWEMCMIQEXTRNK-IJLUTSLNSA-N 1 3 282.388 -0.750 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246570 584172310 /nfs/dbraw/zinc/17/23/10/584172310.db2.gz ZPXYASIUDZXCNY-ROHXPCBUSA-N 1 3 253.346 -0.251 20 0 CBADHO C[C@@H](NC(=O)CN1CCNCC1)C1CC[NH2+]CC1 ZINC000877251787 584173265 /nfs/dbraw/zinc/17/32/65/584173265.db2.gz FNFUXSHTRADNAH-LLVKDONJSA-N 1 3 254.378 -0.604 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877279879 584175699 /nfs/dbraw/zinc/17/56/99/584175699.db2.gz AECSJHMYSZSELP-WZRBSPASSA-N 1 3 282.388 -0.561 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877358111 584179519 /nfs/dbraw/zinc/17/95/19/584179519.db2.gz ZZYOMFBMGYEHIA-HLTSFMKQSA-N 1 3 282.310 -0.529 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCNC1=O ZINC000878968753 584221524 /nfs/dbraw/zinc/22/15/24/584221524.db2.gz ADOZXUXUMBGPGQ-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000879996250 584258708 /nfs/dbraw/zinc/25/87/08/584258708.db2.gz IMMOMNJKCQEPJZ-CYBMUJFWSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879998384 584258993 /nfs/dbraw/zinc/25/89/93/584258993.db2.gz RKFTYVHNAXLEIE-VXGBXAGGSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879998384 584258995 /nfs/dbraw/zinc/25/89/95/584258995.db2.gz RKFTYVHNAXLEIE-VXGBXAGGSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879998383 584259042 /nfs/dbraw/zinc/25/90/42/584259042.db2.gz RKFTYVHNAXLEIE-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879998383 584259044 /nfs/dbraw/zinc/25/90/44/584259044.db2.gz RKFTYVHNAXLEIE-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCn2cnnn2)CC1 ZINC000883431800 584341980 /nfs/dbraw/zinc/34/19/80/584341980.db2.gz DNWQEGOHSIIMSN-QWHCGFSZSA-N 1 3 280.376 -0.109 20 0 CBADHO COc1nn(C)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000883960106 584352081 /nfs/dbraw/zinc/35/20/81/584352081.db2.gz IENLZKQHHLVRNB-UHFFFAOYSA-N 1 3 297.403 -0.006 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000884196719 584365309 /nfs/dbraw/zinc/36/53/09/584365309.db2.gz YUWDBRWFLIQKQI-AVGNSLFASA-N 1 3 287.404 -0.034 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000884236095 584369305 /nfs/dbraw/zinc/36/93/05/584369305.db2.gz MJCVZEWXDGSMRX-STQMWFEESA-N 1 3 284.404 -0.802 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000884236095 584369308 /nfs/dbraw/zinc/36/93/08/584369308.db2.gz MJCVZEWXDGSMRX-STQMWFEESA-N 1 3 284.404 -0.802 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884243752 584369535 /nfs/dbraw/zinc/36/95/35/584369535.db2.gz OIQRPSOMHDVLQL-LLVKDONJSA-N 1 3 277.372 -0.042 20 0 CBADHO CN(C)CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884284113 584371888 /nfs/dbraw/zinc/37/18/88/584371888.db2.gz DHGKNVWVOHQJLG-UHFFFAOYSA-N 1 3 277.372 -0.217 20 0 CBADHO N[C@@H](CC1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884289165 584372390 /nfs/dbraw/zinc/37/23/90/584372390.db2.gz VDFUGSWXBRXKHX-STQMWFEESA-N 1 3 266.389 -0.380 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300718 584372817 /nfs/dbraw/zinc/37/28/17/584372817.db2.gz GCDOBTFUULDGBU-TUAOUCFPSA-N 1 3 255.362 -0.192 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300717 584372827 /nfs/dbraw/zinc/37/28/27/584372827.db2.gz GCDOBTFUULDGBU-SRVKXCTJSA-N 1 3 255.362 -0.192 20 0 CBADHO CN(CC[NH3+])C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884341949 584375458 /nfs/dbraw/zinc/37/54/58/584375458.db2.gz MGABDIHEUCOEPJ-UHFFFAOYSA-N 1 3 263.345 -0.478 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366132 584377038 /nfs/dbraw/zinc/37/70/38/584377038.db2.gz URMGWJJDVQTVNW-RKDXNWHRSA-N 1 3 251.334 -0.266 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884420383 584380695 /nfs/dbraw/zinc/38/06/95/584380695.db2.gz RASKFBQYDYDADQ-LLVKDONJSA-N 1 3 277.372 -0.171 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000884420550 584380739 /nfs/dbraw/zinc/38/07/39/584380739.db2.gz WODZHIUGXDDIPH-NEPJUHHUSA-N 1 3 273.377 -0.471 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884420384 584380793 /nfs/dbraw/zinc/38/07/93/584380793.db2.gz RASKFBQYDYDADQ-NSHDSACASA-N 1 3 277.372 -0.171 20 0 CBADHO CCN(CC[NH3+])C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884431819 584381245 /nfs/dbraw/zinc/38/12/45/584381245.db2.gz ILQKVRKSARMVAC-UHFFFAOYSA-N 1 3 277.372 -0.088 20 0 CBADHO COCC[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442713 584381948 /nfs/dbraw/zinc/38/19/48/584381948.db2.gz OAHBJZHWPIAZBW-RTXFEEFZSA-N 1 3 255.362 -0.192 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442714 584381977 /nfs/dbraw/zinc/38/19/77/584381977.db2.gz OAHBJZHWPIAZBW-WCFLWFBJSA-N 1 3 255.362 -0.192 20 0 CBADHO COCC[C@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000884463227 584383003 /nfs/dbraw/zinc/38/30/03/584383003.db2.gz AHBIVWCETFJNEB-LBPRGKRZSA-N 1 3 293.371 -0.207 20 0 CBADHO COc1ccc([C@@H]2CN(C(=O)[C@H](CN)OC)C[C@H]2[NH3+])cc1 ZINC000884468302 584383211 /nfs/dbraw/zinc/38/32/11/584383211.db2.gz XHCLEDFJXVZARM-MJBXVCDLSA-N 1 3 293.367 -0.078 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884577496 584388714 /nfs/dbraw/zinc/38/87/14/584388714.db2.gz GUFDASNDUCXIMI-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C1=CCN(C)CC1 ZINC000884623728 584391429 /nfs/dbraw/zinc/39/14/29/584391429.db2.gz MPSYAHJJNMSTPV-NTZNESFSSA-N 1 3 294.399 -0.299 20 0 CBADHO CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631379 584392227 /nfs/dbraw/zinc/39/22/27/584392227.db2.gz IGPXXPGLBRZDFP-LBPRGKRZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631561 584392306 /nfs/dbraw/zinc/39/23/06/584392306.db2.gz OFOGQMHFXNIJRJ-WXHSDQCUSA-N 1 3 294.399 -0.465 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884650410 584392527 /nfs/dbraw/zinc/39/25/27/584392527.db2.gz ISZAEPCMMNASAA-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC[NH3+])CCN1c1ccncc1 ZINC000884673542 584394456 /nfs/dbraw/zinc/39/44/56/584394456.db2.gz ZYBPKVTYJWEEKE-LLVKDONJSA-N 1 3 291.355 -0.806 20 0 CBADHO CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CCC1(C)C ZINC000884693295 584398026 /nfs/dbraw/zinc/39/80/26/584398026.db2.gz TYLNWVCRJFSXHW-UHFFFAOYSA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884704127 584398916 /nfs/dbraw/zinc/39/89/16/584398916.db2.gz VPHFMMXXNTYLTK-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC1(C)C ZINC000884707070 584399663 /nfs/dbraw/zinc/39/96/63/584399663.db2.gz XENQYIWUMICLCO-LBPRGKRZSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884796249 584402454 /nfs/dbraw/zinc/40/24/54/584402454.db2.gz FCHZQGDAYSJEMF-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198943 584409989 /nfs/dbraw/zinc/40/99/89/584409989.db2.gz IZCZMKKJFLORJH-UHFFFAOYSA-N 1 3 258.366 -0.750 20 0 CBADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000885205069 584410190 /nfs/dbraw/zinc/41/01/90/584410190.db2.gz WOPMCXKBOIMQGE-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](C(N)=O)N(C)[C@H]1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389504 584438781 /nfs/dbraw/zinc/43/87/81/584438781.db2.gz LZDSWGDDYHTXSK-BJDJZHNGSA-N 1 3 284.404 -0.091 20 0 CBADHO C[C@@H](C(N)=O)N(C)[C@H]1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389504 584438782 /nfs/dbraw/zinc/43/87/82/584438782.db2.gz LZDSWGDDYHTXSK-BJDJZHNGSA-N 1 3 284.404 -0.091 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891492800 584582615 /nfs/dbraw/zinc/58/26/15/584582615.db2.gz JGALZLNACHFPME-MNOVXSKESA-N 1 3 258.366 -0.304 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514663 584583575 /nfs/dbraw/zinc/58/35/75/584583575.db2.gz WHBHULFDAZLOSX-ZDEQEGDKSA-N 1 3 280.372 -0.395 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514662 584583589 /nfs/dbraw/zinc/58/35/89/584583589.db2.gz WHBHULFDAZLOSX-RNJOBUHISA-N 1 3 280.372 -0.395 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891575066 584586483 /nfs/dbraw/zinc/58/64/83/584586483.db2.gz DFCBQLHOFUVMQB-TUAOUCFPSA-N 1 3 270.377 -0.256 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892004245 584598642 /nfs/dbraw/zinc/59/86/42/584598642.db2.gz CDTSUDFYXACZSO-RYUDHWBXSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H](NC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[C@H](C)[NH3+] ZINC000892140977 584605817 /nfs/dbraw/zinc/60/58/17/584605817.db2.gz GIEOHUNKTKKGPZ-AXFHLTTASA-N 1 3 272.393 -0.134 20 0 CBADHO [NH3+][C@@H]1CCCCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000892179111 584607658 /nfs/dbraw/zinc/60/76/58/584607658.db2.gz GNZGGQXCDYJPBE-VXGBXAGGSA-N 1 3 270.377 -0.112 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[NH2+]CCC12CCC2 ZINC000892188663 584608717 /nfs/dbraw/zinc/60/87/17/584608717.db2.gz IYWZFBKCENBDFA-LBPRGKRZSA-N 1 3 282.388 -0.098 20 0 CBADHO O=C(NC[C@H]1CNCCO1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892188982 584608723 /nfs/dbraw/zinc/60/87/23/584608723.db2.gz KYEIBQKBERPIFN-VHSXEESVSA-N 1 3 292.330 -0.481 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000892551913 584618288 /nfs/dbraw/zinc/61/82/88/584618288.db2.gz PPYAKCJKUXUMEN-XQQFMLRXSA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000892567068 584619281 /nfs/dbraw/zinc/61/92/81/584619281.db2.gz PPYAKCJKUXUMEN-AVGNSLFASA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000892577180 584619820 /nfs/dbraw/zinc/61/98/20/584619820.db2.gz BTONIIWEIYXIGR-XYPYZODXSA-N 1 3 263.345 -0.048 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892855827 584628534 /nfs/dbraw/zinc/62/85/34/584628534.db2.gz WDYUJUIDAIPRAY-GFCCVEGCSA-N 1 3 258.366 -0.520 20 0 CBADHO CN1C[C@@H]2CCN(C(=O)NCCOCC[NH+](C)C)[C@@H]2C1 ZINC000894366650 584656767 /nfs/dbraw/zinc/65/67/67/584656767.db2.gz MVQCWXXZNLCBRK-QWHCGFSZSA-N 1 3 284.404 -0.090 20 0 CBADHO C[N@@H+]1C[C@@]2(C)CN(c3nc(N)nc(N)n3)C[C@@]2(C)C1 ZINC000894802631 584664540 /nfs/dbraw/zinc/66/45/40/584664540.db2.gz QYENHUGZECNHGC-TXEJJXNPSA-N 1 3 263.349 -0.186 20 0 CBADHO C[N@H+]1C[C@@]2(C)CN(c3nc(N)nc(N)n3)C[C@@]2(C)C1 ZINC000894802631 584664541 /nfs/dbraw/zinc/66/45/41/584664541.db2.gz QYENHUGZECNHGC-TXEJJXNPSA-N 1 3 263.349 -0.186 20 0 CBADHO C[NH+](C)CC[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000895324028 584675912 /nfs/dbraw/zinc/67/59/12/584675912.db2.gz CPRMZTXRZQNXDB-QMMMGPOBSA-N 1 3 251.338 -0.186 20 0 CBADHO COC(=O)CNC(=O)CNCC1CC[NH+](C)CC1 ZINC000895811088 584687249 /nfs/dbraw/zinc/68/72/49/584687249.db2.gz NCTNKLPSHPUNGW-UHFFFAOYSA-N 1 3 257.334 -0.793 20 0 CBADHO CN1CCCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899936331 584785982 /nfs/dbraw/zinc/78/59/82/584785982.db2.gz ZEZXZJTXYSFQLV-CQSZACIVSA-N 1 3 269.389 -0.003 20 0 CBADHO CN1CCCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899936331 584785983 /nfs/dbraw/zinc/78/59/83/584785983.db2.gz ZEZXZJTXYSFQLV-CQSZACIVSA-N 1 3 269.389 -0.003 20 0 CBADHO CCN1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900686235 584821668 /nfs/dbraw/zinc/82/16/68/584821668.db2.gz LHURMLVJLLJILJ-UHFFFAOYSA-N 1 3 280.416 -0.164 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000901184250 584853882 /nfs/dbraw/zinc/85/38/82/584853882.db2.gz CLRRFUCZIOVZPC-KBPBESRZSA-N 1 3 287.404 -0.738 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C)C1CC1)C2 ZINC000903492928 584891691 /nfs/dbraw/zinc/89/16/91/584891691.db2.gz LSELCXPSVBLTGF-RWSFTLGLSA-N 1 3 295.383 -0.181 20 0 CBADHO CCCNC(=O)CN(C)C(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496464 584892035 /nfs/dbraw/zinc/89/20/35/584892035.db2.gz ORBAYHDODSUJPH-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO [NH3+][C@@H]1CN(C[C@@H]2CNCCO2)C[C@H]1C(F)(F)F ZINC000903512931 584892271 /nfs/dbraw/zinc/89/22/71/584892271.db2.gz KOTLTDZBGWWSSQ-DJLDLDEBSA-N 1 3 253.268 -0.204 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903551086 584893010 /nfs/dbraw/zinc/89/30/10/584893010.db2.gz UQXVWZZIQXCNME-JTQLQIEISA-N 1 3 263.407 -0.145 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563208 584893362 /nfs/dbraw/zinc/89/33/62/584893362.db2.gz UEJCGHIWBWKVPW-OUAUKWLOSA-N 1 3 261.391 -0.250 20 0 CBADHO O=S(=O)([C@H]1CCCNC1)N1CCC[C@]12CC[NH2+]C2 ZINC000903591598 584894105 /nfs/dbraw/zinc/89/41/05/584894105.db2.gz GPLNFGDGANJMKU-NWDGAFQWSA-N 1 3 273.402 -0.104 20 0 CBADHO O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1CCCNC1 ZINC000903609474 584895012 /nfs/dbraw/zinc/89/50/12/584895012.db2.gz GUZIPNXZZZMTGM-SRVKXCTJSA-N 1 3 273.402 -0.200 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903719850 584895804 /nfs/dbraw/zinc/89/58/04/584895804.db2.gz YMTXNURXXRJPRA-JTQLQIEISA-N 1 3 270.377 -0.798 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903719851 584895838 /nfs/dbraw/zinc/89/58/38/584895838.db2.gz YMTXNURXXRJPRA-SNVBAGLBSA-N 1 3 270.377 -0.798 20 0 CBADHO CNC(=O)CCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728414 584896145 /nfs/dbraw/zinc/89/61/45/584896145.db2.gz AQIKHKVYIVJQPJ-YPMHNXCESA-N 1 3 255.362 -0.177 20 0 CBADHO CNC(=O)CCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728411 584896154 /nfs/dbraw/zinc/89/61/54/584896154.db2.gz AQIKHKVYIVJQPJ-AAEUAGOBSA-N 1 3 255.362 -0.177 20 0 CBADHO O[C@@H](CN1CCNC[C@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748968 584897205 /nfs/dbraw/zinc/89/72/05/584897205.db2.gz FBVWQKOJMNMIFN-MNOVXSKESA-N 1 3 263.332 -0.018 20 0 CBADHO O[C@@H](CN1CCNC[C@@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748959 584897243 /nfs/dbraw/zinc/89/72/43/584897243.db2.gz FBVWQKOJMNMIFN-GHMZBOCLSA-N 1 3 263.332 -0.018 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C ZINC000903750806 584897347 /nfs/dbraw/zinc/89/73/47/584897347.db2.gz UINGSERWLWPGKC-AGIUHOORSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C ZINC000903750808 584897425 /nfs/dbraw/zinc/89/74/25/584897425.db2.gz UINGSERWLWPGKC-FRRDWIJNSA-N 1 3 296.415 -0.123 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756053 584897571 /nfs/dbraw/zinc/89/75/71/584897571.db2.gz ONZTXJRYPPOGSI-OCCSQVGLSA-N 1 3 284.404 -0.042 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1 ZINC000903767515 584898033 /nfs/dbraw/zinc/89/80/33/584898033.db2.gz GQTWUGJCSYCXMU-ZNMIVQPWSA-N 1 3 295.427 -0.104 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903768042 584898050 /nfs/dbraw/zinc/89/80/50/584898050.db2.gz PWBUHZQDMXIZJI-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1C[NH3+] ZINC000903788161 584899675 /nfs/dbraw/zinc/89/96/75/584899675.db2.gz CZCPNLGTPUJFST-RYUDHWBXSA-N 1 3 275.418 -0.061 20 0 CBADHO CC[N@H+](CCC(=O)NC)C[C@@H]1CCC2(CNC2)O1 ZINC000903825973 584900939 /nfs/dbraw/zinc/90/09/39/584900939.db2.gz GRFPKJGILASJNS-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+](CCC(=O)NC)C[C@@H]1CCC2(CNC2)O1 ZINC000903825973 584900941 /nfs/dbraw/zinc/90/09/41/584900941.db2.gz GRFPKJGILASJNS-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827220 584901010 /nfs/dbraw/zinc/90/10/10/584901010.db2.gz QRFKQRHQNGWJMH-UHTWSYAYSA-N 1 3 255.362 -0.456 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827220 584901011 /nfs/dbraw/zinc/90/10/11/584901011.db2.gz QRFKQRHQNGWJMH-UHTWSYAYSA-N 1 3 255.362 -0.456 20 0 CBADHO COC[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000903880488 584903671 /nfs/dbraw/zinc/90/36/71/584903671.db2.gz JHOMJGKLFQLZOW-RYUDHWBXSA-N 1 3 255.362 -0.572 20 0 CBADHO O=C1NC(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC000903902608 584904257 /nfs/dbraw/zinc/90/42/57/584904257.db2.gz KQULGBNLIYKTPJ-FGNRJIRKSA-N 1 3 278.356 -0.247 20 0 CBADHO CC1(C)CN(C[C@@H]2CCCN(C(=O)CN)C2)C[C@@H]1[NH3+] ZINC000903986689 584905436 /nfs/dbraw/zinc/90/54/36/584905436.db2.gz PLTDWWGQWRBYOM-RYUDHWBXSA-N 1 3 268.405 -0.147 20 0 CBADHO CC1(C)CN(CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977497182 614664363 /nfs/dbraw/zinc/66/43/63/614664363.db2.gz KMLUZGQCWJNANV-GFCCVEGCSA-N 1 3 281.400 -0.099 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970494252 615537500 /nfs/dbraw/zinc/53/75/00/615537500.db2.gz NQGTVGZWEHCYMD-VXGBXAGGSA-N 1 3 294.399 -0.463 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)N(C)C ZINC000971780471 615602338 /nfs/dbraw/zinc/60/23/38/615602338.db2.gz ZTVNOVHTVAJSBS-VXGBXAGGSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)N(C)C ZINC000971780471 615602340 /nfs/dbraw/zinc/60/23/40/615602340.db2.gz ZTVNOVHTVAJSBS-VXGBXAGGSA-N 1 3 257.378 -0.148 20 0 CBADHO C[NH+](C)[C@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)C1CC1 ZINC000968912778 615987685 /nfs/dbraw/zinc/98/76/85/615987685.db2.gz ROSRRQJIMZXUEX-PWSUYJOCSA-N 1 3 268.361 -0.998 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000977604304 616379677 /nfs/dbraw/zinc/37/96/77/616379677.db2.gz VSWIQHXXAMCDGO-RYUDHWBXSA-N 1 3 269.389 -0.243 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000977604304 616379681 /nfs/dbraw/zinc/37/96/81/616379681.db2.gz VSWIQHXXAMCDGO-RYUDHWBXSA-N 1 3 269.389 -0.243 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236844992 656116147 /nfs/dbraw/zinc/11/61/47/656116147.db2.gz VYTWJRMHYLWFFH-LBPRGKRZSA-N 1 3 256.394 -0.404 20 0 CBADHO [NH3+][C@H]1CCCCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923663055 658388411 /nfs/dbraw/zinc/38/84/11/658388411.db2.gz VBEPOFFSMHVGNO-NSHDSACASA-N 1 3 276.406 -0.660 20 0 CBADHO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)C1CNC1)CC2 ZINC000923687989 658396782 /nfs/dbraw/zinc/39/67/82/658396782.db2.gz OUOBFJSFAJBIMJ-SNVBAGLBSA-N 1 3 289.401 -0.882 20 0 CBADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CCN1C ZINC000923619584 658355805 /nfs/dbraw/zinc/35/58/05/658355805.db2.gz XNDOTSZNNMCZIK-NEPJUHHUSA-N 1 3 290.433 -0.449 20 0 CBADHO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923622876 658356947 /nfs/dbraw/zinc/35/69/47/658356947.db2.gz SUZIVCHUGRTHTM-NSHDSACASA-N 1 3 275.418 -0.048 20 0 CBADHO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923622876 658356952 /nfs/dbraw/zinc/35/69/52/658356952.db2.gz SUZIVCHUGRTHTM-NSHDSACASA-N 1 3 275.418 -0.048 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)N3CCNCC3)C[C@H]21 ZINC000923637510 658369558 /nfs/dbraw/zinc/36/95/58/658369558.db2.gz QJPZXJCYSLAICW-IJLUTSLNSA-N 1 3 288.417 -0.804 20 0 CBADHO O=S(=O)(C1CNC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923639982 658370723 /nfs/dbraw/zinc/37/07/23/658370723.db2.gz VZGLLUWYKCUBFC-LLVKDONJSA-N 1 3 259.375 -0.637 20 0 CBADHO O=S(=O)(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCC[NH2+]C1 ZINC000923644108 658371531 /nfs/dbraw/zinc/37/15/31/658371531.db2.gz HPQSFBTXZKKZEC-GUBZILKMSA-N 1 3 265.354 -0.642 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923639946 658371940 /nfs/dbraw/zinc/37/19/40/658371940.db2.gz HDSJDRWOZJYEOO-NSHDSACASA-N 1 3 273.402 -0.391 20 0 CBADHO O=S(=O)(C1CNC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923639983 658372197 /nfs/dbraw/zinc/37/21/97/658372197.db2.gz VZGLLUWYKCUBFC-NSHDSACASA-N 1 3 259.375 -0.637 20 0 CBADHO [NH3+]CCCCCCNS(=O)(=O)N1CCNCC1 ZINC000923653764 658379900 /nfs/dbraw/zinc/37/99/00/658379900.db2.gz YFYJFUGKDHOUBF-UHFFFAOYSA-N 1 3 264.395 -0.755 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923655603 658381820 /nfs/dbraw/zinc/38/18/20/658381820.db2.gz PPRVNKDCXKQPAH-LBPRGKRZSA-N 1 3 287.429 0.000 20 0 CBADHO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H]1CCCCN1 ZINC000925790038 658872033 /nfs/dbraw/zinc/87/20/33/658872033.db2.gz FGXWARPAEWGDJS-FRRDWIJNSA-N 1 3 289.445 -0.117 20 0 CBADHO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H]1CCCCN1 ZINC000925790039 658872324 /nfs/dbraw/zinc/87/23/24/658872324.db2.gz FGXWARPAEWGDJS-JHJVBQTASA-N 1 3 289.445 -0.117 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440658 659461148 /nfs/dbraw/zinc/46/11/48/659461148.db2.gz ZWZOBYJYQVLROJ-NWDGAFQWSA-N 1 3 275.418 -0.191 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440658 659461176 /nfs/dbraw/zinc/46/11/76/659461176.db2.gz ZWZOBYJYQVLROJ-NWDGAFQWSA-N 1 3 275.418 -0.191 20 0 CBADHO CN1CCC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000044539447 656010656 /nfs/dbraw/zinc/01/06/56/656010656.db2.gz LJQNRMURISXMPR-NSHDSACASA-N 1 3 276.406 -0.932 20 0 CBADHO C[NH+](C)CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000089892852 656056172 /nfs/dbraw/zinc/05/61/72/656056172.db2.gz GPWVSEYYOSVMNO-UHFFFAOYSA-N 1 3 268.405 -0.212 20 0 CBADHO CC(C)(C[NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252545948 656123326 /nfs/dbraw/zinc/12/33/26/656123326.db2.gz JYSICTHSVXUPOG-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252539407 656123448 /nfs/dbraw/zinc/12/34/48/656123448.db2.gz BNXRJKWPXBCNNV-QJPTWQEYSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH+](C)C ZINC000446287785 656172180 /nfs/dbraw/zinc/17/21/80/656172180.db2.gz LSLKFVTXRKYAOL-MRVPVSSYSA-N 1 3 251.334 -0.265 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000702348545 656180120 /nfs/dbraw/zinc/18/01/20/656180120.db2.gz CPJWSAGXHARJIQ-MNOVXSKESA-N 1 3 256.394 -0.136 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000702348545 656180121 /nfs/dbraw/zinc/18/01/21/656180121.db2.gz CPJWSAGXHARJIQ-MNOVXSKESA-N 1 3 256.394 -0.136 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000702422852 656180658 /nfs/dbraw/zinc/18/06/58/656180658.db2.gz UGGXMOXXLGEGKV-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000703612599 656183451 /nfs/dbraw/zinc/18/34/51/656183451.db2.gz VXHVRVIMJTWQQZ-WRWGMCAJSA-N 1 3 253.346 -0.297 20 0 CBADHO C[C@]1(CO)C[N@@H+](C[C@H](O)CN2CCCC2)C[C@@]1(C)CO ZINC000704410405 656184432 /nfs/dbraw/zinc/18/44/32/656184432.db2.gz BFHIWNATFRCZOM-KFWWJZLASA-N 1 3 286.416 -0.244 20 0 CBADHO C[C@]1(CO)C[N@H+](C[C@H](O)CN2CCCC2)C[C@@]1(C)CO ZINC000704410405 656184433 /nfs/dbraw/zinc/18/44/33/656184433.db2.gz BFHIWNATFRCZOM-KFWWJZLASA-N 1 3 286.416 -0.244 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705179165 656185043 /nfs/dbraw/zinc/18/50/43/656185043.db2.gz SXSCPSPPMFXVGX-NEPJUHHUSA-N 1 3 256.394 -0.325 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705179165 656185046 /nfs/dbraw/zinc/18/50/46/656185046.db2.gz SXSCPSPPMFXVGX-NEPJUHHUSA-N 1 3 256.394 -0.325 20 0 CBADHO CCOC(=O)COCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000710607011 656198760 /nfs/dbraw/zinc/19/87/60/656198760.db2.gz MWKNRCAGIXAZFZ-UHFFFAOYSA-N 1 3 288.388 -0.045 20 0 CBADHO C[NH+](C)CC1(O)CCN(C[C@H]2COCCO2)CC1 ZINC000710607299 656199343 /nfs/dbraw/zinc/19/93/43/656199343.db2.gz OBQIQCSJAVICPV-LBPRGKRZSA-N 1 3 258.362 -0.210 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711396129 656208358 /nfs/dbraw/zinc/20/83/58/656208358.db2.gz RXBODCQEJFINND-LLVKDONJSA-N 1 3 257.378 -0.074 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1(F)F ZINC000715094852 656218743 /nfs/dbraw/zinc/21/87/43/656218743.db2.gz PFLNIGNLIJXKGM-UKKRHICBSA-N 1 3 289.326 -0.194 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000715540947 656220042 /nfs/dbraw/zinc/22/00/42/656220042.db2.gz URWQDUIGUPAELQ-ZJUUUORDSA-N 1 3 261.391 -0.250 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CNC[C@H]1CCCO1)C2 ZINC000877380057 656246308 /nfs/dbraw/zinc/24/63/08/656246308.db2.gz QCNPLZOEXFFIDP-OUCADQQQSA-N 1 3 267.373 -0.177 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)C1 ZINC000884787052 656255306 /nfs/dbraw/zinc/25/53/06/656255306.db2.gz FJDHHAAOQPWVPU-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884910844 656258061 /nfs/dbraw/zinc/25/80/61/656258061.db2.gz FCFMKSHFFXMOPB-HAQNSBGRSA-N 1 3 284.404 -0.360 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000897764839 656294773 /nfs/dbraw/zinc/29/47/73/656294773.db2.gz PXTKDCGEILYRSD-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000897764839 656294775 /nfs/dbraw/zinc/29/47/75/656294775.db2.gz PXTKDCGEILYRSD-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO CC[N@H+](CCC(=O)NC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000904470640 656328673 /nfs/dbraw/zinc/32/86/73/656328673.db2.gz ZYKUTFKFTDBQSH-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CC[N@@H+](CCC(=O)NC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000904470640 656328676 /nfs/dbraw/zinc/32/86/76/656328676.db2.gz ZYKUTFKFTDBQSH-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905002197 656332478 /nfs/dbraw/zinc/33/24/78/656332478.db2.gz RNVBXDSNLFKFQH-SMDDNHRTSA-N 1 3 282.388 -0.654 20 0 CBADHO COCCNCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343865 656350529 /nfs/dbraw/zinc/35/05/29/656350529.db2.gz LEVPTOLNFNJKCQ-UHFFFAOYSA-N 1 3 279.406 -0.859 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905357420 656353012 /nfs/dbraw/zinc/35/30/12/656353012.db2.gz MILQMPGDOYDZHC-SNVBAGLBSA-N 1 3 263.407 -0.002 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905357419 656353256 /nfs/dbraw/zinc/35/32/56/656353256.db2.gz MILQMPGDOYDZHC-JTQLQIEISA-N 1 3 263.407 -0.002 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+]CCN2CCC(C)(C)C2)CC1 ZINC000905678953 656365450 /nfs/dbraw/zinc/36/54/50/656365450.db2.gz NQIJWTOMMNSMLB-OAHLLOKOSA-N 1 3 298.475 -0.084 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)N(C)C ZINC000996315605 656407258 /nfs/dbraw/zinc/40/72/58/656407258.db2.gz PUHYDVPIENGDNG-WDEREUQCSA-N 1 3 284.404 -0.362 20 0 CBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619632 656447306 /nfs/dbraw/zinc/44/73/06/656447306.db2.gz JCUPSFNNIBPOKO-ZIAGYGMSSA-N 1 3 297.399 -0.578 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679108 656451457 /nfs/dbraw/zinc/45/14/57/656451457.db2.gz PXWQTQWEJCNNHI-GXFFZTMASA-N 1 3 296.415 -0.219 20 0 CBADHO CN(C)C1(C(=O)N2CCC([NH2+]CC(N)=O)CC2)CCC1 ZINC000996666371 656452122 /nfs/dbraw/zinc/45/21/22/656452122.db2.gz PXWPMZNZPIGWFK-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC000996713760 656454539 /nfs/dbraw/zinc/45/45/39/656454539.db2.gz WZZCTTBFVDHRGC-CMPLNLGQSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC000997011177 656463622 /nfs/dbraw/zinc/46/36/22/656463622.db2.gz WZZCTTBFVDHRGC-PWSUYJOCSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@@H](C(=O)N1CCC([NH2+]CCO)CC1)N(C)C ZINC000997014342 656464258 /nfs/dbraw/zinc/46/42/58/656464258.db2.gz HXBIGFQFKBKYPX-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCO)CC1 ZINC000997037142 656464456 /nfs/dbraw/zinc/46/44/56/656464456.db2.gz UMFMDTBSGIFNOQ-UHFFFAOYSA-N 1 3 252.318 -0.475 20 0 CBADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC000997307831 656472668 /nfs/dbraw/zinc/47/26/68/656472668.db2.gz WYLYYNOTZIIDCM-ZDUSSCGKSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)c1ccnn1CCN(C)C ZINC000907440218 656505743 /nfs/dbraw/zinc/50/57/43/656505743.db2.gz DMWCTNFZCIIWRD-UHFFFAOYSA-N 1 3 297.403 -0.511 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)c1ccnn1CCN(C)C ZINC000907440218 656505752 /nfs/dbraw/zinc/50/57/52/656505752.db2.gz DMWCTNFZCIIWRD-UHFFFAOYSA-N 1 3 297.403 -0.511 20 0 CBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998550679 656546328 /nfs/dbraw/zinc/54/63/28/656546328.db2.gz OJEGEANOZGXDLC-VQXHTEKXSA-N 1 3 268.361 -0.855 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999146466 656612515 /nfs/dbraw/zinc/61/25/15/656612515.db2.gz WJGGGTFIWSTEDC-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999146466 656612522 /nfs/dbraw/zinc/61/25/22/656612522.db2.gz WJGGGTFIWSTEDC-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363342 656625118 /nfs/dbraw/zinc/62/51/18/656625118.db2.gz GONBEHBKPXPBNT-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000999374739 656625673 /nfs/dbraw/zinc/62/56/73/656625673.db2.gz RYQIAVVEORKDSI-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000999374764 656626274 /nfs/dbraw/zinc/62/62/74/656626274.db2.gz RYQIAVVEORKDSI-STQMWFEESA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999404453 656628065 /nfs/dbraw/zinc/62/80/65/656628065.db2.gz WROLMDSUMVKQAB-VOMCLLRMSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCO)C2)C1 ZINC000999408415 656628739 /nfs/dbraw/zinc/62/87/39/656628739.db2.gz KLXJSBVJRFUFOC-HIFPTAJRSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)N(C)C ZINC000999488789 656631273 /nfs/dbraw/zinc/63/12/73/656631273.db2.gz HFPKIEYKGWMCDI-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)(C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC000999877642 656662973 /nfs/dbraw/zinc/66/29/73/656662973.db2.gz VUJFJGWFFQWCMH-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO O=C(N[C@H](CO)CN1CCCC1)C12CC[NH+](CC1)C2 ZINC000908202313 656668094 /nfs/dbraw/zinc/66/80/94/656668094.db2.gz BJKMPCLXWIJVBA-LBPRGKRZSA-N 1 3 267.373 -0.345 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000908205304 656670291 /nfs/dbraw/zinc/67/02/91/656670291.db2.gz NLMJLKQMVJKQAL-DZGCQCFKSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000908205304 656670304 /nfs/dbraw/zinc/67/03/04/656670304.db2.gz NLMJLKQMVJKQAL-DZGCQCFKSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@H](N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080417 656686938 /nfs/dbraw/zinc/68/69/38/656686938.db2.gz FHKWHHVXBKFSHT-WCQYABFASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080212 656687274 /nfs/dbraw/zinc/68/72/74/656687274.db2.gz FHKWHHVXBKFSHT-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+](C)C ZINC001000105729 656691275 /nfs/dbraw/zinc/69/12/75/656691275.db2.gz RRTRBOZRJUZMDK-DGCLKSJQSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192529 656701797 /nfs/dbraw/zinc/70/17/97/656701797.db2.gz MQTAMDZHEFJYFT-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001000219948 656702730 /nfs/dbraw/zinc/70/27/30/656702730.db2.gz QPXOTGVPAFEWLJ-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)N(C)C ZINC001000224027 656703880 /nfs/dbraw/zinc/70/38/80/656703880.db2.gz HFPKIEYKGWMCDI-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000992499 656779969 /nfs/dbraw/zinc/77/99/69/656779969.db2.gz MFCATMJXBOSANM-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272564 656803987 /nfs/dbraw/zinc/80/39/87/656803987.db2.gz LDQYDOVWFSPRNL-GXTWGEPZSA-N 1 3 285.388 -0.986 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000911059397 656937973 /nfs/dbraw/zinc/93/79/73/656937973.db2.gz GRGHTSZKRXMVED-HNNXBMFYSA-N 1 3 294.399 -0.449 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000911061425 656938518 /nfs/dbraw/zinc/93/85/18/656938518.db2.gz REZZJYXUWMWFQF-NHYWBVRUSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911160356 656966720 /nfs/dbraw/zinc/96/67/20/656966720.db2.gz BVGBHFYBNDOFCV-JHJVBQTASA-N 1 3 296.415 -0.312 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911212478 656987786 /nfs/dbraw/zinc/98/77/86/656987786.db2.gz ZPOBOMRKMYMDNK-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C1=CCN(C)CC1 ZINC000911218857 656990166 /nfs/dbraw/zinc/99/01/66/656990166.db2.gz LTFYEDSWWQETJH-NQBHXWOUSA-N 1 3 294.399 -0.523 20 0 CBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000911224194 656991374 /nfs/dbraw/zinc/99/13/74/656991374.db2.gz VHHXEUOZLXDSHL-AVGNSLFASA-N 1 3 294.399 -0.560 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911296324 657013104 /nfs/dbraw/zinc/01/31/04/657013104.db2.gz LNTZKCNAEVZYRA-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911338123 657022681 /nfs/dbraw/zinc/02/26/81/657022681.db2.gz YEJIBDFDMGGFTG-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911337800 657022702 /nfs/dbraw/zinc/02/27/02/657022702.db2.gz WVLKSEJFWXIIFY-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911336807 657022830 /nfs/dbraw/zinc/02/28/30/657022830.db2.gz NVQJXNYLAWCCCC-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911337802 657022962 /nfs/dbraw/zinc/02/29/62/657022962.db2.gz WVLKSEJFWXIIFY-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506418 657060715 /nfs/dbraw/zinc/06/07/15/657060715.db2.gz NIHAMJAOWKJMCS-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911534075 657069539 /nfs/dbraw/zinc/06/95/39/657069539.db2.gz RQKGIRLSWWWUHA-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000911532421 657069868 /nfs/dbraw/zinc/06/98/68/657069868.db2.gz LIPHXFRYBIXDKY-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911531987 657070428 /nfs/dbraw/zinc/07/04/28/657070428.db2.gz IFUMAPWVMICVJQ-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911562020 657078961 /nfs/dbraw/zinc/07/89/61/657078961.db2.gz JHGGXJHNEWRRFD-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911667685 657100385 /nfs/dbraw/zinc/10/03/85/657100385.db2.gz QMGUGEDWISWNGF-CHWSQXEVSA-N 1 3 292.383 -0.285 20 0 CBADHO CCCN(C(=O)[C@H]1CNCCN1C)[C@H]1CC[NH2+]C1 ZINC000911766334 657123652 /nfs/dbraw/zinc/12/36/52/657123652.db2.gz DPIPGGWNZBIQMJ-NWDGAFQWSA-N 1 3 254.378 -0.510 20 0 CBADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000911939267 657171481 /nfs/dbraw/zinc/17/14/81/657171481.db2.gz TVHSRDWKFYJRKU-GFCCVEGCSA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000911939267 657171485 /nfs/dbraw/zinc/17/14/85/657171485.db2.gz TVHSRDWKFYJRKU-GFCCVEGCSA-N 1 3 269.389 -0.147 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000912053684 657187819 /nfs/dbraw/zinc/18/78/19/657187819.db2.gz CYJCADLGFDJISZ-GZBFAFLISA-N 1 3 297.399 -0.889 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000912053684 657187822 /nfs/dbraw/zinc/18/78/22/657187822.db2.gz CYJCADLGFDJISZ-GZBFAFLISA-N 1 3 297.399 -0.889 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN(C)CCO)[NH+](C)C ZINC000912606676 657296196 /nfs/dbraw/zinc/29/61/96/657296196.db2.gz JXTCEAYWJSABIN-GFCCVEGCSA-N 1 3 259.394 -0.045 20 0 CBADHO C[C@@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654537 657505599 /nfs/dbraw/zinc/50/55/99/657505599.db2.gz YVQJSLWBCCWULP-YPMHNXCESA-N 1 3 269.389 -0.101 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913676026 657580601 /nfs/dbraw/zinc/58/06/01/657580601.db2.gz KIZCCBPDGGTXJA-GFCCVEGCSA-N 1 3 269.389 -0.004 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CCO)C2)C1 ZINC001015997668 657626108 /nfs/dbraw/zinc/62/61/08/657626108.db2.gz FRXVQVASELTKPX-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CCO)C2)C1 ZINC001015997668 657626116 /nfs/dbraw/zinc/62/61/16/657626116.db2.gz FRXVQVASELTKPX-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@@H](O)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004498 657631167 /nfs/dbraw/zinc/63/11/67/657631167.db2.gz XYOLBWXPZXXQMH-VXGBXAGGSA-N 1 3 267.373 -0.347 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001016248618 657669544 /nfs/dbraw/zinc/66/95/44/657669544.db2.gz CFCGTRKGSIRNQJ-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001016248618 657669559 /nfs/dbraw/zinc/66/95/59/657669559.db2.gz CFCGTRKGSIRNQJ-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC2CCN(CCO)CC2)CC[N@@H+]1C ZINC000917836470 657818830 /nfs/dbraw/zinc/81/88/30/657818830.db2.gz FZIYZHVDUBEALY-DGCLKSJQSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC2CCN(CCO)CC2)CC[N@H+]1C ZINC000917836470 657818834 /nfs/dbraw/zinc/81/88/34/657818834.db2.gz FZIYZHVDUBEALY-DGCLKSJQSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001018962425 657855220 /nfs/dbraw/zinc/85/52/20/657855220.db2.gz BTHRSYOHZHITQW-QWRGUYRKSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001019000685 657857891 /nfs/dbraw/zinc/85/78/91/657857891.db2.gz JCGOVZLUFYSQCT-XQQFMLRXSA-N 1 3 296.415 -0.348 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019044803 657859907 /nfs/dbraw/zinc/85/99/07/657859907.db2.gz ZDMSREYFUUCWSS-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001019088164 657862038 /nfs/dbraw/zinc/86/20/38/657862038.db2.gz LXVNPAAYCFEPLO-NEPJUHHUSA-N 1 3 294.399 -0.321 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189681 657869795 /nfs/dbraw/zinc/86/97/95/657869795.db2.gz YERQOJJCHWMYSG-JSGCOSHPSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001019322834 657885802 /nfs/dbraw/zinc/88/58/02/657885802.db2.gz JZIORMAFSYBEAL-QWHCGFSZSA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(N)=O)C1)[NH+](C)C ZINC001019343081 657885872 /nfs/dbraw/zinc/88/58/72/657885872.db2.gz XBDVFRLONCOPFP-CMPLNLGQSA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019325071 657885911 /nfs/dbraw/zinc/88/59/11/657885911.db2.gz ISECFXUIYHYAEU-PWSUYJOCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001019386169 657891261 /nfs/dbraw/zinc/89/12/61/657891261.db2.gz GLDUHHDBPRNEJY-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC001019395014 657892785 /nfs/dbraw/zinc/89/27/85/657892785.db2.gz WNZGOMIFFLKNMF-SRVKXCTJSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001019659670 657926682 /nfs/dbraw/zinc/92/66/82/657926682.db2.gz HQNCMHWALFYHFK-MNOVXSKESA-N 1 3 280.372 -0.854 20 0 CBADHO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774969 657937804 /nfs/dbraw/zinc/93/78/04/657937804.db2.gz PPQUMLCZJOTTDX-STQMWFEESA-N 1 3 294.399 -0.497 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019820294 657948536 /nfs/dbraw/zinc/94/85/36/657948536.db2.gz DSSSJUXUEHRUHE-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019820294 657948547 /nfs/dbraw/zinc/94/85/47/657948547.db2.gz DSSSJUXUEHRUHE-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020178873 658025167 /nfs/dbraw/zinc/02/51/67/658025167.db2.gz HQMVDZHXBSNZFF-LPWJVIDDSA-N 1 3 283.372 -0.921 20 0 CBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020591303 658076305 /nfs/dbraw/zinc/07/63/05/658076305.db2.gz KGAPJKMELSVMTL-XYPYZODXSA-N 1 3 282.388 -0.560 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021096432 658151770 /nfs/dbraw/zinc/15/17/70/658151770.db2.gz SUAAEHKRKUYAQA-SRVKXCTJSA-N 1 3 282.388 -0.417 20 0 CBADHO NC[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923291610 658195336 /nfs/dbraw/zinc/19/53/36/658195336.db2.gz DRVRNLICTDMSKX-AVGNSLFASA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923291610 658195345 /nfs/dbraw/zinc/19/53/45/658195345.db2.gz DRVRNLICTDMSKX-AVGNSLFASA-N 1 3 258.362 -0.034 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000923321318 658207707 /nfs/dbraw/zinc/20/77/07/658207707.db2.gz FESUFZBDQAHSOI-VOAKCMCISA-N 1 3 265.361 -0.159 20 0 CBADHO Cc1cccc(OC[C@@H](O)CNC(CN)C[NH3+])c1 ZINC000923356616 658230232 /nfs/dbraw/zinc/23/02/32/658230232.db2.gz NWWGSNLSOXGKQP-LBPRGKRZSA-N 1 3 253.346 -0.390 20 0 CBADHO COCCOC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923370733 658241634 /nfs/dbraw/zinc/24/16/34/658241634.db2.gz QRRSXARRVXZQQJ-NEPJUHHUSA-N 1 3 260.378 -0.012 20 0 CBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923370733 658241660 /nfs/dbraw/zinc/24/16/60/658241660.db2.gz QRRSXARRVXZQQJ-NEPJUHHUSA-N 1 3 260.378 -0.012 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923400838 658260489 /nfs/dbraw/zinc/26/04/89/658260489.db2.gz FSTIRUVTSPJUHM-RYUDHWBXSA-N 1 3 267.373 -0.083 20 0 CBADHO CCOC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413166 658270391 /nfs/dbraw/zinc/27/03/91/658270391.db2.gz DVOSFYXTXAXWDU-XQHKEYJVSA-N 1 3 299.371 -0.749 20 0 CBADHO NC[C@H]1CCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923426437 658273389 /nfs/dbraw/zinc/27/33/89/658273389.db2.gz DRVRNLICTDMSKX-JHJVBQTASA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@H]1CCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923426437 658273406 /nfs/dbraw/zinc/27/34/06/658273406.db2.gz DRVRNLICTDMSKX-JHJVBQTASA-N 1 3 258.362 -0.034 20 0 CBADHO Cn1cncc1CCCN1CCNCC[NH2+]CC1 ZINC000923461206 658290501 /nfs/dbraw/zinc/29/05/01/658290501.db2.gz ULDPWQNXZRTZGY-UHFFFAOYSA-N 1 3 251.378 -0.153 20 0 CBADHO COCCOCCOCCC[NH+]1CCNCCNCC1 ZINC000923460720 658294412 /nfs/dbraw/zinc/29/44/12/658294412.db2.gz PQNHQXCVJHZHCE-UHFFFAOYSA-N 1 3 289.420 -0.449 20 0 CBADHO COCCOCCOCCCN1CCNCC[NH2+]CC1 ZINC000923460720 658294400 /nfs/dbraw/zinc/29/44/00/658294400.db2.gz PQNHQXCVJHZHCE-UHFFFAOYSA-N 1 3 289.420 -0.449 20 0 CBADHO CCS(=O)(=O)NCCN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495561 658307167 /nfs/dbraw/zinc/30/71/67/658307167.db2.gz CHXIGJRBVJXYLO-MNOVXSKESA-N 1 3 263.407 -0.158 20 0 CBADHO CCCCN(C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923609446 658348517 /nfs/dbraw/zinc/34/85/17/658348517.db2.gz ALJRGFFJLXLLRR-UHFFFAOYSA-N 1 3 278.422 -0.542 20 0 CBADHO CCS(=O)(=O)NCCN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495562 658306518 /nfs/dbraw/zinc/30/65/18/658306518.db2.gz CHXIGJRBVJXYLO-QWRGUYRKSA-N 1 3 263.407 -0.158 20 0 CBADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000923491342 658307567 /nfs/dbraw/zinc/30/75/67/658307567.db2.gz IHPGEFWGYFFJCL-CYBMUJFWSA-N 1 3 296.415 -0.214 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502933 658310992 /nfs/dbraw/zinc/31/09/92/658310992.db2.gz FCULKTXZZHEACX-UTLUCORTSA-N 1 3 256.350 -0.253 20 0 CBADHO [NH3+]C[C@H](NS(=O)(=O)N1CCNCC1)C1CCCCC1 ZINC000923569548 658331899 /nfs/dbraw/zinc/33/18/99/658331899.db2.gz OUWOVWWIKZRASP-LBPRGKRZSA-N 1 3 290.433 -0.366 20 0 CBADHO C[C@@H]([NH3+])C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923569810 658332630 /nfs/dbraw/zinc/33/26/30/658332630.db2.gz GEUOORYFZGJZPF-SNVBAGLBSA-N 1 3 276.406 -0.804 20 0 CBADHO CCCC[C@@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923577718 658337280 /nfs/dbraw/zinc/33/72/80/658337280.db2.gz UDXWINDLTWCPGM-JTQLQIEISA-N 1 3 264.395 -0.757 20 0 CBADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)C1CNC1 ZINC000923633110 658366375 /nfs/dbraw/zinc/36/63/75/658366375.db2.gz DAXMJLHQCADIQP-GJYTXDDASA-N 1 3 273.402 -0.216 20 0 CBADHO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923634866 658367362 /nfs/dbraw/zinc/36/73/62/658367362.db2.gz GUXAQNVXIIAYOD-RYUDHWBXSA-N 1 3 290.433 -0.366 20 0 CBADHO C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000923649221 658376382 /nfs/dbraw/zinc/37/63/82/658376382.db2.gz NHRKLUIXQDGENU-UTUOFQBUSA-N 1 3 290.433 -0.558 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923699003 658405006 /nfs/dbraw/zinc/40/50/06/658405006.db2.gz JHZJIPKVGKGMIS-NSHDSACASA-N 1 3 263.407 -0.061 20 0 CBADHO CN(C)C[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886765 658652985 /nfs/dbraw/zinc/65/29/85/658652985.db2.gz PCFNAIGFERYPAU-WDEREUQCSA-N 1 3 266.345 -0.295 20 0 CBADHO CN(C)C[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886765 658653006 /nfs/dbraw/zinc/65/30/06/658653006.db2.gz PCFNAIGFERYPAU-WDEREUQCSA-N 1 3 266.345 -0.295 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000925346770 658832763 /nfs/dbraw/zinc/83/27/63/658832763.db2.gz VTQBGVDFIAZQQN-IJLUTSLNSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000925346770 658832766 /nfs/dbraw/zinc/83/27/66/658832766.db2.gz VTQBGVDFIAZQQN-IJLUTSLNSA-N 1 3 270.377 -0.555 20 0 CBADHO CN1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925408048 658840297 /nfs/dbraw/zinc/84/02/97/658840297.db2.gz NXXDHTFCCVREIX-HZSPNIEDSA-N 1 3 296.415 -0.069 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000925425206 658847906 /nfs/dbraw/zinc/84/79/06/658847906.db2.gz NEQALLRGFIFAFE-AVGNSLFASA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000925425206 658847907 /nfs/dbraw/zinc/84/79/07/658847907.db2.gz NEQALLRGFIFAFE-AVGNSLFASA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)N1CCO ZINC000925428654 658850375 /nfs/dbraw/zinc/85/03/75/658850375.db2.gz DDXJNEGLJLAPOR-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@H](C)N1CCO ZINC000925428654 658850381 /nfs/dbraw/zinc/85/03/81/658850381.db2.gz DDXJNEGLJLAPOR-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](CN[C@H]1C[NH2+]CCOC1)CN1CCOCC1 ZINC000925508977 658857255 /nfs/dbraw/zinc/85/72/55/658857255.db2.gz KSJRMZPAPFLMEP-OLZOCXBDSA-N 1 3 257.378 -0.467 20 0 CBADHO CC1(C)[C@H](NCC(=O)N2CCNCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690698 658866153 /nfs/dbraw/zinc/86/61/53/658866153.db2.gz KUKMJTXBENRQJC-KWCYVHTRSA-N 1 3 280.416 -0.216 20 0 CBADHO C[C@H]1[NH2+]CCC[C@@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000925715224 658867325 /nfs/dbraw/zinc/86/73/25/658867325.db2.gz AYXRANZOMUSCGA-SCZZXKLOSA-N 1 3 251.334 -0.129 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926328333 658892739 /nfs/dbraw/zinc/89/27/39/658892739.db2.gz OFMSMVMVZLSEIU-ZDUSSCGKSA-N 1 3 296.415 -0.262 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000968922345 658945512 /nfs/dbraw/zinc/94/55/12/658945512.db2.gz YKEVJMFWOZWUTC-WDEREUQCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000928441910 659020919 /nfs/dbraw/zinc/02/09/19/659020919.db2.gz PXQRHDWAZWZOEQ-FRRDWIJNSA-N 1 3 266.389 -0.415 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000928441910 659020920 /nfs/dbraw/zinc/02/09/20/659020920.db2.gz PXQRHDWAZWZOEQ-FRRDWIJNSA-N 1 3 266.389 -0.415 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000969964582 659027605 /nfs/dbraw/zinc/02/76/05/659027605.db2.gz GLDUHHDBPRNEJY-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970178629 659037210 /nfs/dbraw/zinc/03/72/10/659037210.db2.gz VHBVBNVCBNHJPR-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN1CCN(CC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928562491 659046439 /nfs/dbraw/zinc/04/64/39/659046439.db2.gz GRGVPSVQYWBHDK-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO CCN1CCN(CC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928562491 659046448 /nfs/dbraw/zinc/04/64/48/659046448.db2.gz GRGVPSVQYWBHDK-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970718901 659070128 /nfs/dbraw/zinc/07/01/28/659070128.db2.gz YAXQXOBYRHGARB-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404864 659269563 /nfs/dbraw/zinc/26/95/63/659269563.db2.gz DNCYDZHMDZXTPD-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404864 659269577 /nfs/dbraw/zinc/26/95/77/659269577.db2.gz DNCYDZHMDZXTPD-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333117 659379606 /nfs/dbraw/zinc/37/96/06/659379606.db2.gz XRQRAZPYGFDRCC-YPMHNXCESA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333117 659379610 /nfs/dbraw/zinc/37/96/10/659379610.db2.gz XRQRAZPYGFDRCC-YPMHNXCESA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790059 659399409 /nfs/dbraw/zinc/39/94/09/659399409.db2.gz OSXDRPBEADCOFF-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790059 659399423 /nfs/dbraw/zinc/39/94/23/659399423.db2.gz OSXDRPBEADCOFF-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985794193 659401639 /nfs/dbraw/zinc/40/16/39/659401639.db2.gz ZROWHIOJNKJPAK-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985794193 659401676 /nfs/dbraw/zinc/40/16/76/659401676.db2.gz ZROWHIOJNKJPAK-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986959313 659485635 /nfs/dbraw/zinc/48/56/35/659485635.db2.gz PBSNYPYSXSMDIV-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056592 659488126 /nfs/dbraw/zinc/48/81/26/659488126.db2.gz GJEQGSADHXGOEH-KOLCDFICSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC000987251232 659499450 /nfs/dbraw/zinc/49/94/50/659499450.db2.gz ARZILCSCNRBRPO-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CN(C)C1CCC1 ZINC000988968282 659564366 /nfs/dbraw/zinc/56/43/66/659564366.db2.gz RRKZAQDWBWXVCD-MNOVXSKESA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390099 659583450 /nfs/dbraw/zinc/58/34/50/659583450.db2.gz MSSQTFXUFZVAOR-CMPLNLGQSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661023 659605986 /nfs/dbraw/zinc/60/59/86/659605986.db2.gz FNLXIHSVAFQPJY-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661023 659605990 /nfs/dbraw/zinc/60/59/90/659605990.db2.gz FNLXIHSVAFQPJY-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H](O)CN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661026 659606561 /nfs/dbraw/zinc/60/65/61/659606561.db2.gz FNLXIHSVAFQPJY-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H](O)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661026 659606564 /nfs/dbraw/zinc/60/65/64/659606564.db2.gz FNLXIHSVAFQPJY-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C)CCN(C)CC1 ZINC000933991977 659754773 /nfs/dbraw/zinc/75/47/73/659754773.db2.gz KPBJRDZMOYSWLL-HNNXBMFYSA-N 1 3 286.464 -0.133 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C)CCN(C)CC1 ZINC000933991977 659754782 /nfs/dbraw/zinc/75/47/82/659754782.db2.gz KPBJRDZMOYSWLL-HNNXBMFYSA-N 1 3 286.464 -0.133 20 0 CBADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892091 814924146 /nfs/dbraw/zinc/92/41/46/814924146.db2.gz HZGNUPPDQHWEGP-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892091 814924149 /nfs/dbraw/zinc/92/41/49/814924149.db2.gz HZGNUPPDQHWEGP-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC000063527834 790341981 /nfs/dbraw/zinc/34/19/81/790341981.db2.gz DHOSVYISPRAYQU-LBPRGKRZSA-N 1 3 293.371 -0.740 20 0 CBADHO N[C@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000388339985 790554961 /nfs/dbraw/zinc/55/49/61/790554961.db2.gz WRQZBCRFJZLZQM-LPEHRKFASA-N 1 3 277.315 -0.052 20 0 CBADHO N[C@H](CC(F)F)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000388339985 790554971 /nfs/dbraw/zinc/55/49/71/790554971.db2.gz WRQZBCRFJZLZQM-LPEHRKFASA-N 1 3 277.315 -0.052 20 0 CBADHO [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000388339985 790554980 /nfs/dbraw/zinc/55/49/80/790554980.db2.gz WRQZBCRFJZLZQM-LPEHRKFASA-N 1 3 277.315 -0.052 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000387009187 790552012 /nfs/dbraw/zinc/55/20/12/790552012.db2.gz XTWPGUNWOFBBKU-IPYPFGDCSA-N 1 3 297.399 -0.408 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000693575441 790682249 /nfs/dbraw/zinc/68/22/49/790682249.db2.gz VXHVRVIMJTWQQZ-FIQHERPVSA-N 1 3 253.346 -0.297 20 0 CBADHO C[C@@H](CN)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653180 790719417 /nfs/dbraw/zinc/71/94/17/790719417.db2.gz DQJCIUSKFKIYMB-JTQLQIEISA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@@H](CN)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000701653180 790719420 /nfs/dbraw/zinc/71/94/20/790719420.db2.gz DQJCIUSKFKIYMB-JTQLQIEISA-N 1 3 263.407 -0.063 20 0 CBADHO CC(C)COC[C@H](O)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000702571151 790722072 /nfs/dbraw/zinc/72/20/72/790722072.db2.gz WLMXCYYAYJWYRA-OLZOCXBDSA-N 1 3 260.378 -0.324 20 0 CBADHO CC(C)COC[C@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702571151 790722078 /nfs/dbraw/zinc/72/20/78/790722078.db2.gz WLMXCYYAYJWYRA-OLZOCXBDSA-N 1 3 260.378 -0.324 20 0 CBADHO CN1C[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000707004419 790728743 /nfs/dbraw/zinc/72/87/43/790728743.db2.gz ZNGOEFWVYMNLNR-BETUJISGSA-N 1 3 287.429 -0.191 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCCCC[NH+](C)C ZINC000719257721 790760902 /nfs/dbraw/zinc/76/09/02/790760902.db2.gz VAPYSWDCVODQMS-UHFFFAOYSA-N 1 3 253.350 -0.050 20 0 CBADHO CO[C@]1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000721172708 790778387 /nfs/dbraw/zinc/77/83/87/790778387.db2.gz HRJHVMREELGRPL-UTUOFQBUSA-N 1 3 276.402 -0.093 20 0 CBADHO COC[C@H](C)OC[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844230 790802526 /nfs/dbraw/zinc/80/25/26/790802526.db2.gz LRUFLFYXMKNFLH-XQHKEYJVSA-N 1 3 260.378 -0.075 20 0 CBADHO CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886908 790802587 /nfs/dbraw/zinc/80/25/87/790802587.db2.gz NUHIWGFFTXWHEZ-NXEZZACHSA-N 1 3 256.350 -0.251 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022716485 791042450 /nfs/dbraw/zinc/04/24/50/791042450.db2.gz XTMUOYFIAFKVPT-RVMXOQNASA-N 1 3 294.399 -0.547 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022712261 791040708 /nfs/dbraw/zinc/04/07/08/791040708.db2.gz NYHUSIFMLVDZPA-GARJFASQSA-N 1 3 268.361 -0.807 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)C(N)=O ZINC001022712252 791041915 /nfs/dbraw/zinc/04/19/15/791041915.db2.gz NNWHXSVFUYXVPQ-FIQHERPVSA-N 1 3 282.388 -0.419 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022712761 791042026 /nfs/dbraw/zinc/04/20/26/791042026.db2.gz ZDWGBZMWXGMFFY-WUHRBBMRSA-N 1 3 294.399 -0.404 20 0 CBADHO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001077685414 805766042 /nfs/dbraw/zinc/76/60/42/805766042.db2.gz PXXBNDBNZJIWPO-YNEHKIRRSA-N 1 3 299.415 -0.740 20 0 CBADHO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001077685414 805766047 /nfs/dbraw/zinc/76/60/47/805766047.db2.gz PXXBNDBNZJIWPO-YNEHKIRRSA-N 1 3 299.415 -0.740 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147892968 814925344 /nfs/dbraw/zinc/92/53/44/814925344.db2.gz MMZJAJAZYMJEGG-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147892968 814925352 /nfs/dbraw/zinc/92/53/52/814925352.db2.gz MMZJAJAZYMJEGG-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001147900682 814926695 /nfs/dbraw/zinc/92/66/95/814926695.db2.gz UIULCHPYVGBVPP-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900682 814926704 /nfs/dbraw/zinc/92/67/04/814926704.db2.gz UIULCHPYVGBVPP-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977409 814927377 /nfs/dbraw/zinc/92/73/77/814927377.db2.gz RNIAJZLHFRYPOF-UHFFFAOYSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080940040 806017984 /nfs/dbraw/zinc/01/79/84/806017984.db2.gz VBPIHGIIFILKAS-IJLUTSLNSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080940040 806017989 /nfs/dbraw/zinc/01/79/89/806017989.db2.gz VBPIHGIIFILKAS-IJLUTSLNSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001082766505 806193552 /nfs/dbraw/zinc/19/35/52/806193552.db2.gz AXXKEZYKWHBSBL-JFGNBEQYSA-N 1 3 266.345 -0.231 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466478 806335468 /nfs/dbraw/zinc/33/54/68/806335468.db2.gz WCUYXAPYEKDIJA-MCIONIFRSA-N 1 3 281.400 -0.102 20 0 CBADHO CCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958065 806469727 /nfs/dbraw/zinc/46/97/27/806469727.db2.gz XKLIIXOKFXVCMW-NEPJUHHUSA-N 1 3 267.373 -0.347 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001084053567 806481529 /nfs/dbraw/zinc/48/15/29/806481529.db2.gz CBRCKVONMKBQGQ-MCIONIFRSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001084053567 806481536 /nfs/dbraw/zinc/48/15/36/806481536.db2.gz CBRCKVONMKBQGQ-MCIONIFRSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CCO)C[C@H]32)C1 ZINC001084775627 806534486 /nfs/dbraw/zinc/53/44/86/806534486.db2.gz OIROAKRHAORQFJ-MGPQQGTHSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CCO)C[C@H]32)C1 ZINC001084775627 806534491 /nfs/dbraw/zinc/53/44/91/806534491.db2.gz OIROAKRHAORQFJ-MGPQQGTHSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CCO)C[C@H]32)C1 ZINC001084775626 806535177 /nfs/dbraw/zinc/53/51/77/806535177.db2.gz OIROAKRHAORQFJ-BFHYXJOUSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CCO)C[C@H]32)C1 ZINC001084775626 806535182 /nfs/dbraw/zinc/53/51/82/806535182.db2.gz OIROAKRHAORQFJ-BFHYXJOUSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085393796 806554611 /nfs/dbraw/zinc/55/46/11/806554611.db2.gz KTNZVSGTDLOGQK-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085393796 806554619 /nfs/dbraw/zinc/55/46/19/806554619.db2.gz KTNZVSGTDLOGQK-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2CCO)C1 ZINC001085782241 806608131 /nfs/dbraw/zinc/60/81/31/806608131.db2.gz PQZWJMWDLGLTDC-ZIAGYGMSSA-N 1 3 299.415 -0.379 20 0 CBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2CCO)C1 ZINC001085782241 806608134 /nfs/dbraw/zinc/60/81/34/806608134.db2.gz PQZWJMWDLGLTDC-ZIAGYGMSSA-N 1 3 299.415 -0.379 20 0 CBADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799045 798976377 /nfs/dbraw/zinc/97/63/77/798976377.db2.gz QLHFHQFOPFVXOK-PDWCTOEPSA-N 1 3 279.384 -0.084 20 0 CBADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799045 798976383 /nfs/dbraw/zinc/97/63/83/798976383.db2.gz QLHFHQFOPFVXOK-PDWCTOEPSA-N 1 3 279.384 -0.084 20 0 CBADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026040911 798987941 /nfs/dbraw/zinc/98/79/41/798987941.db2.gz ZGTPSHQKUONGTE-JYKNGBAOSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026040911 798987946 /nfs/dbraw/zinc/98/79/46/798987946.db2.gz ZGTPSHQKUONGTE-JYKNGBAOSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026148920 798992877 /nfs/dbraw/zinc/99/28/77/798992877.db2.gz FNBCLCWPVSVQQN-NYEGDDQHSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026148920 798992879 /nfs/dbraw/zinc/99/28/79/798992879.db2.gz FNBCLCWPVSVQQN-NYEGDDQHSA-N 1 3 281.400 -0.102 20 0 CBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026366986 799001248 /nfs/dbraw/zinc/00/12/48/799001248.db2.gz RSQAOBLBBSTODP-WCFLWFBJSA-N 1 3 278.356 -0.229 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001030021606 799212821 /nfs/dbraw/zinc/21/28/21/799212821.db2.gz FKHMPERYHUUPLC-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681657 799531413 /nfs/dbraw/zinc/53/14/13/799531413.db2.gz DFJGYDNOAXJXOY-DMDPSCGWSA-N 1 3 269.389 -0.245 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681657 799531418 /nfs/dbraw/zinc/53/14/18/799531418.db2.gz DFJGYDNOAXJXOY-DMDPSCGWSA-N 1 3 269.389 -0.245 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674562 799532456 /nfs/dbraw/zinc/53/24/56/799532456.db2.gz MDEKYFIWHGZTHN-AWEZNQCLSA-N 1 3 281.400 -0.241 20 0 CBADHO CCN1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688949 799533195 /nfs/dbraw/zinc/53/31/95/799533195.db2.gz OILBZQODFMZULL-QWHCGFSZSA-N 1 3 267.373 -0.083 20 0 CBADHO CCN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688949 799533200 /nfs/dbraw/zinc/53/32/00/799533200.db2.gz OILBZQODFMZULL-QWHCGFSZSA-N 1 3 267.373 -0.083 20 0 CBADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCO)C1 ZINC001033083120 799715454 /nfs/dbraw/zinc/71/54/54/799715454.db2.gz VUAOCKAVBKKHAM-KGLIPLIRSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(CCO)C1 ZINC001033593849 799769598 /nfs/dbraw/zinc/76/95/98/799769598.db2.gz NAGHWUFKSWNNKE-GFCCVEGCSA-N 1 3 267.373 -0.393 20 0 CBADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001034040567 799807208 /nfs/dbraw/zinc/80/72/08/799807208.db2.gz VNLDUTZGIXDFTA-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001034040567 799807211 /nfs/dbraw/zinc/80/72/11/799807211.db2.gz VNLDUTZGIXDFTA-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034734698 799854073 /nfs/dbraw/zinc/85/40/73/799854073.db2.gz VOCYYHSOGQOHFW-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO O=C(N1CCC2(CN(CCO)C2)CC1)C12CC[NH+](CC1)C2 ZINC001035837315 799966109 /nfs/dbraw/zinc/96/61/09/799966109.db2.gz SOWSYEPUHALJJB-UHFFFAOYSA-N 1 3 293.411 -0.001 20 0 CBADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(N)=O ZINC001037933012 800025537 /nfs/dbraw/zinc/02/55/37/800025537.db2.gz KEDWSCOPZVAMER-CMPLNLGQSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750458 801667543 /nfs/dbraw/zinc/66/75/43/801667543.db2.gz OQNYJFRQADMXPU-UWVGGRQHSA-N 1 3 279.344 -0.593 20 0 CBADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045310904 801691996 /nfs/dbraw/zinc/69/19/96/801691996.db2.gz WBETXARWMODFDP-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046838126 801796405 /nfs/dbraw/zinc/79/64/05/801796405.db2.gz FITKYEZFIWRJBD-WCQYABFASA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046838126 801796408 /nfs/dbraw/zinc/79/64/08/801796408.db2.gz FITKYEZFIWRJBD-WCQYABFASA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049059289 801994478 /nfs/dbraw/zinc/99/44/78/801994478.db2.gz PTBUJLQYGJOYJD-MELADBBJSA-N 1 3 281.400 -0.289 20 0 CBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049059289 801994486 /nfs/dbraw/zinc/99/44/86/801994486.db2.gz PTBUJLQYGJOYJD-MELADBBJSA-N 1 3 281.400 -0.289 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCO ZINC001054734974 802367237 /nfs/dbraw/zinc/36/72/37/802367237.db2.gz HCUNUUWSUACATA-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054736543 802367366 /nfs/dbraw/zinc/36/73/66/802367366.db2.gz KJMURTVEGBWHCL-ZYHUDNBSSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054742360 802369276 /nfs/dbraw/zinc/36/92/76/802369276.db2.gz ZDFHOEDDNJXZTP-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(N)=O ZINC001054853313 802375292 /nfs/dbraw/zinc/37/52/92/802375292.db2.gz FZOLIVDNKOLGLW-NEPJUHHUSA-N 1 3 294.399 -0.463 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC)C[C@H]1O ZINC001100082433 811015987 /nfs/dbraw/zinc/01/59/87/811015987.db2.gz BQPXPGREPCRVAY-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100082433 811015995 /nfs/dbraw/zinc/01/59/95/811015995.db2.gz BQPXPGREPCRVAY-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122101010 813117992 /nfs/dbraw/zinc/11/79/92/813117992.db2.gz UXPWGYWYTIVYIT-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122101148 813118255 /nfs/dbraw/zinc/11/82/55/813118255.db2.gz XOUQEXPWTVVGTI-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001122130421 813121417 /nfs/dbraw/zinc/12/14/17/813121417.db2.gz WNVVBGPUPWCEFE-LLVKDONJSA-N 1 3 253.346 -0.423 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001122130423 813121464 /nfs/dbraw/zinc/12/14/64/813121464.db2.gz WNVVBGPUPWCEFE-NSHDSACASA-N 1 3 253.346 -0.423 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001129328229 813837564 /nfs/dbraw/zinc/83/75/64/813837564.db2.gz NKMZSZAVRIFZBF-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001129328229 813837575 /nfs/dbraw/zinc/83/75/75/813837575.db2.gz NKMZSZAVRIFZBF-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341444 813837641 /nfs/dbraw/zinc/83/76/41/813837641.db2.gz UYKVESMVKCDVNG-ZDUSSCGKSA-N 1 3 298.431 -0.194 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341444 813837652 /nfs/dbraw/zinc/83/76/52/813837652.db2.gz UYKVESMVKCDVNG-ZDUSSCGKSA-N 1 3 298.431 -0.194 20 0 CBADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294560 814237065 /nfs/dbraw/zinc/23/70/65/814237065.db2.gz NHONGOPQXQPOAM-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC1CCN(C(=O)CNCCNC(=O)CC[NH+](C)C)CC1 ZINC001133294415 814237228 /nfs/dbraw/zinc/23/72/28/814237228.db2.gz ICSYYQIQIBUNQW-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294393 814237623 /nfs/dbraw/zinc/23/76/23/814237623.db2.gz HFJDZBCJYOFHQZ-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO Cn1cncc1CNCCNC(=O)CC[NH+](C)C ZINC001133294468 814237938 /nfs/dbraw/zinc/23/79/38/814237938.db2.gz KCUQHCRHTMDUSW-UHFFFAOYSA-N 1 3 253.350 -0.422 20 0 CBADHO Cc1nn(C)cc1CNCCNC(=O)CC[NH+](C)C ZINC001133294356 814238007 /nfs/dbraw/zinc/23/80/07/814238007.db2.gz FIAAZMLLBXXFOD-UHFFFAOYSA-N 1 3 267.377 -0.114 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148570814 814950496 /nfs/dbraw/zinc/95/04/96/814950496.db2.gz MYSVJYDAHJAKFV-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148570814 814950498 /nfs/dbraw/zinc/95/04/98/814950498.db2.gz MYSVJYDAHJAKFV-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001148638376 814953829 /nfs/dbraw/zinc/95/38/29/814953829.db2.gz GLIPNSSDLKCCSI-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001148643242 814954881 /nfs/dbraw/zinc/95/48/81/814954881.db2.gz WARVXGZQFUOHNV-UHFFFAOYSA-N 1 3 268.365 -0.674 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001322442451 803897533 /nfs/dbraw/zinc/89/75/33/803897533.db2.gz LZBLRZAGRYWCLI-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001322683600 803927813 /nfs/dbraw/zinc/92/78/13/803927813.db2.gz SICWTMKPQMBDSE-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001322796802 803940121 /nfs/dbraw/zinc/94/01/21/803940121.db2.gz QTWXTIMMWCMEQP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(CCOCCO)C1 ZINC001324649333 804184805 /nfs/dbraw/zinc/18/48/05/804184805.db2.gz YFDJHUPXMHCOLY-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCF ZINC001325199027 804257354 /nfs/dbraw/zinc/25/73/54/804257354.db2.gz BEMYFQYPOBPDDC-UHFFFAOYSA-N 1 3 290.383 -0.634 20 0 CBADHO COCCN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240291 815022035 /nfs/dbraw/zinc/02/20/35/815022035.db2.gz DWTLDNYJXSVJNQ-ZDUSSCGKSA-N 1 3 287.404 -0.208 20 0 CBADHO COCCN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240290 815021896 /nfs/dbraw/zinc/02/18/96/815021896.db2.gz DWTLDNYJXSVJNQ-CYBMUJFWSA-N 1 3 287.404 -0.208 20 0 CBADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241558 815021517 /nfs/dbraw/zinc/02/15/17/815021517.db2.gz PXVKVFPSFYTLQK-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150240965 815021542 /nfs/dbraw/zinc/02/15/42/815021542.db2.gz KFQOBPNOJVQUPE-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048484 815052284 /nfs/dbraw/zinc/05/22/84/815052284.db2.gz BOVKNYZEHGLWDJ-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048484 815052290 /nfs/dbraw/zinc/05/22/90/815052290.db2.gz BOVKNYZEHGLWDJ-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001151049172 815052314 /nfs/dbraw/zinc/05/23/14/815052314.db2.gz JGXFIVPFQIVJIY-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001151049172 815052321 /nfs/dbraw/zinc/05/23/21/815052321.db2.gz JGXFIVPFQIVJIY-GFCCVEGCSA-N 1 3 282.388 -0.734 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049246 815053394 /nfs/dbraw/zinc/05/33/94/815053394.db2.gz LGIPNBYRAVTIAA-LLVKDONJSA-N 1 3 265.361 -0.422 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049246 815053401 /nfs/dbraw/zinc/05/34/01/815053401.db2.gz LGIPNBYRAVTIAA-LLVKDONJSA-N 1 3 265.361 -0.422 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151055991 815054368 /nfs/dbraw/zinc/05/43/68/815054368.db2.gz JTBPRGYJUWFOCC-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151055991 815054373 /nfs/dbraw/zinc/05/43/73/815054373.db2.gz JTBPRGYJUWFOCC-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066981 815057984 /nfs/dbraw/zinc/05/79/84/815057984.db2.gz ZSBNTDRVTZLSGF-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066981 815057990 /nfs/dbraw/zinc/05/79/90/815057990.db2.gz ZSBNTDRVTZLSGF-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074197 815058480 /nfs/dbraw/zinc/05/84/80/815058480.db2.gz XDXCWWHIQGYGOL-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074197 815058486 /nfs/dbraw/zinc/05/84/86/815058486.db2.gz XDXCWWHIQGYGOL-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074372 815058858 /nfs/dbraw/zinc/05/88/58/815058858.db2.gz XDXCWWHIQGYGOL-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074372 815058865 /nfs/dbraw/zinc/05/88/65/815058865.db2.gz XDXCWWHIQGYGOL-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072983336 805354266 /nfs/dbraw/zinc/35/42/66/805354266.db2.gz SCVCBVKIFXVLCR-CYBMUJFWSA-N 1 3 281.400 -0.145 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072983336 805354276 /nfs/dbraw/zinc/35/42/76/805354276.db2.gz SCVCBVKIFXVLCR-CYBMUJFWSA-N 1 3 281.400 -0.145 20 0 CBADHO C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073018414 805356626 /nfs/dbraw/zinc/35/66/26/805356626.db2.gz ALRXEYVDNUTLKR-LLVKDONJSA-N 1 3 278.356 -0.133 20 0 CBADHO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073018414 805356634 /nfs/dbraw/zinc/35/66/34/805356634.db2.gz ALRXEYVDNUTLKR-LLVKDONJSA-N 1 3 278.356 -0.133 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001073755935 805413676 /nfs/dbraw/zinc/41/36/76/805413676.db2.gz NYQRBYBEBLXERE-CQSZACIVSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C)N(C)C ZINC001074709401 805467744 /nfs/dbraw/zinc/46/77/44/805467744.db2.gz APBRCDOTAUMKGN-SDDRHHMPSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C)N(C)C ZINC001074711085 805467822 /nfs/dbraw/zinc/46/78/22/805467822.db2.gz PYGWHATYDVANFW-ZDEQEGDKSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC[N@@H+]1C ZINC001075809024 805533761 /nfs/dbraw/zinc/53/37/61/805533761.db2.gz OMLQHNFHNUNRRH-XJFOESAGSA-N 1 3 281.400 -0.148 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC[N@H+]1C ZINC001075809024 805533764 /nfs/dbraw/zinc/53/37/64/805533764.db2.gz OMLQHNFHNUNRRH-XJFOESAGSA-N 1 3 281.400 -0.148 20 0 CBADHO CCNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222793 815110780 /nfs/dbraw/zinc/11/07/80/815110780.db2.gz BUXYALOAHGDYIK-UHFFFAOYSA-N 1 3 284.404 -0.296 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NCCN[C@H]1CCNC1=O ZINC001152222823 815110986 /nfs/dbraw/zinc/11/09/86/815110986.db2.gz CHUICHCPELLUQY-LBPRGKRZSA-N 1 3 282.388 -0.543 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)N1CCC1 ZINC001152224439 815111259 /nfs/dbraw/zinc/11/12/59/815111259.db2.gz XNAAHGWYOPFMPU-UHFFFAOYSA-N 1 3 296.415 -0.200 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224456 815111529 /nfs/dbraw/zinc/11/15/29/815111529.db2.gz YHMJIOLADWQPIN-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO C[C@@H](NCCNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001152245131 815111911 /nfs/dbraw/zinc/11/19/11/815111911.db2.gz AYAWXVAOOWXZGK-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152347161 815116453 /nfs/dbraw/zinc/11/64/53/815116453.db2.gz DQDRUVSIECKPGC-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152347975 815116476 /nfs/dbraw/zinc/11/64/76/815116476.db2.gz JVSRPHGQDBYLTH-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152347974 815116787 /nfs/dbraw/zinc/11/67/87/815116787.db2.gz JVSRPHGQDBYLTH-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](NCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152340088 815117189 /nfs/dbraw/zinc/11/71/89/815117189.db2.gz GANCQLVPASKXBK-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001152431690 815121355 /nfs/dbraw/zinc/12/13/55/815121355.db2.gz AEEPNPWUXWRNMX-UHFFFAOYSA-N 1 3 268.365 -0.676 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445874 815123391 /nfs/dbraw/zinc/12/33/91/815123391.db2.gz QAPXITCDBREOEE-LBPRGKRZSA-N 1 3 286.420 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470703 815124302 /nfs/dbraw/zinc/12/43/02/815124302.db2.gz FOOCPSNRPPSBDD-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001152458353 815124747 /nfs/dbraw/zinc/12/47/47/815124747.db2.gz NYTKJMXGZBHREO-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CN1CC[NH2+]CC1)Nc1cc(CN)ncn1 ZINC001154748618 815237772 /nfs/dbraw/zinc/23/77/72/815237772.db2.gz HEIDWVKMOAULME-JTQLQIEISA-N 1 3 250.350 -0.359 20 0 CBADHO NCc1cn(-c2cncc(N3CC[NH2+]CC3)n2)cn1 ZINC001154909341 815248520 /nfs/dbraw/zinc/24/85/20/815248520.db2.gz PMWOFDCXHYQYMG-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO C[NH+](C)C[C@H]1COCCN1c1ncc2c(n1)CCNC2 ZINC001154970967 815255176 /nfs/dbraw/zinc/25/51/76/815255176.db2.gz ZMKBXFZSHNIDTC-LBPRGKRZSA-N 1 3 277.372 -0.111 20 0 CBADHO C[NH+](C)C[C@@H]1COCCN1c1cc(CN)ncn1 ZINC001154969803 815255356 /nfs/dbraw/zinc/25/53/56/815255356.db2.gz SNBRMWHLOJGMCJ-LLVKDONJSA-N 1 3 251.334 -0.298 20 0 CBADHO NCc1cc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ncn1 ZINC001155373453 815279769 /nfs/dbraw/zinc/27/97/69/815279769.db2.gz QYCLALRCCSFCPD-CYBMUJFWSA-N 1 3 276.388 -0.205 20 0 CBADHO c1nc(N[C@@H]2COCCC23C[NH2+]C3)nc2c1CNCC2 ZINC001155462723 815285976 /nfs/dbraw/zinc/28/59/76/815285976.db2.gz SNOFROZCHMJDBE-GFCCVEGCSA-N 1 3 275.356 -0.087 20 0 CBADHO c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc2c1CNCC2 ZINC001155502589 815288256 /nfs/dbraw/zinc/28/82/56/815288256.db2.gz HYFMCIXEZKTFOW-YUSALJHKSA-N 1 3 261.329 -0.479 20 0 CBADHO c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nnc2c1CNCC2 ZINC001155506723 815289068 /nfs/dbraw/zinc/28/90/68/815289068.db2.gz YZLXOROTVSISJM-YUSALJHKSA-N 1 3 261.329 -0.479 20 0 CBADHO NCc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncn1 ZINC001155522982 815290258 /nfs/dbraw/zinc/29/02/58/815290258.db2.gz LSNBEQHSSSZREZ-JLLWLGSASA-N 1 3 263.345 -0.028 20 0 CBADHO c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc2c1CNCC2 ZINC001155634934 815301687 /nfs/dbraw/zinc/30/16/87/815301687.db2.gz GUNMELFJTRHRJD-WOPDTQHZSA-N 1 3 261.329 -0.337 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCO)[C@@H]2C)CC[N@@H+]1C ZINC001088577285 810344431 /nfs/dbraw/zinc/34/44/31/810344431.db2.gz KSGWWJULVFUCLO-LPWJVIDDSA-N 1 3 269.389 -0.102 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCO)[C@@H]2C)CC[N@H+]1C ZINC001088577285 810344438 /nfs/dbraw/zinc/34/44/38/810344438.db2.gz KSGWWJULVFUCLO-LPWJVIDDSA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)(C(=O)N[C@@H]1CCN(CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001090490663 810508539 /nfs/dbraw/zinc/50/85/39/810508539.db2.gz SUCYSZXOGQHFNB-OLZOCXBDSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536207 810517037 /nfs/dbraw/zinc/51/70/37/810517037.db2.gz BXXKSCOECGDUOO-STQMWFEESA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001090539508 810519668 /nfs/dbraw/zinc/51/96/68/810519668.db2.gz YKLARNPZTKUAKN-ZIAGYGMSSA-N 1 3 299.415 -0.738 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082934 815403764 /nfs/dbraw/zinc/40/37/64/815403764.db2.gz QXFBHHIUBRUVSM-JTQLQIEISA-N 1 3 299.400 -0.699 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001099898428 810961733 /nfs/dbraw/zinc/96/17/33/810961733.db2.gz BGNJIANNVCMGFU-VXGBXAGGSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001099898428 810961736 /nfs/dbraw/zinc/96/17/36/810961736.db2.gz BGNJIANNVCMGFU-VXGBXAGGSA-N 1 3 287.404 -0.740 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971861 810982833 /nfs/dbraw/zinc/98/28/33/810982833.db2.gz NLHSUZXFDCNPNT-QWHCGFSZSA-N 1 3 299.415 -0.474 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@H]1O ZINC001100041772 811000448 /nfs/dbraw/zinc/00/04/48/811000448.db2.gz NZAGXPXCCKCXSV-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100041772 811000457 /nfs/dbraw/zinc/00/04/57/811000457.db2.gz NZAGXPXCCKCXSV-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050097 811005560 /nfs/dbraw/zinc/00/55/60/811005560.db2.gz BXHCDUGSJCXVQN-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001100064169 811010171 /nfs/dbraw/zinc/01/01/71/811010171.db2.gz JHFNJXVKUQLXSW-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001100064169 811010177 /nfs/dbraw/zinc/01/01/77/811010177.db2.gz JHFNJXVKUQLXSW-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001100064171 811010484 /nfs/dbraw/zinc/01/04/84/811010484.db2.gz JHFNJXVKUQLXSW-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001100064171 811010488 /nfs/dbraw/zinc/01/04/88/811010488.db2.gz JHFNJXVKUQLXSW-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001100405735 811056146 /nfs/dbraw/zinc/05/61/46/811056146.db2.gz KVORFJCNBZOZLK-UNXYVOJBSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001100410696 811056555 /nfs/dbraw/zinc/05/65/55/811056555.db2.gz ITPHIHPJOXGWTJ-UNXYVOJBSA-N 1 3 296.415 -0.171 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678338 811071499 /nfs/dbraw/zinc/07/14/99/811071499.db2.gz HQJDWVLEDAJRRV-HIFPTAJRSA-N 1 3 296.415 -0.441 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100770975 811078973 /nfs/dbraw/zinc/07/89/73/811078973.db2.gz SIDFRRVVSZRIOV-HIFPTAJRSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C12CCCN1CCC2 ZINC001157335270 815424155 /nfs/dbraw/zinc/42/41/55/815424155.db2.gz FQANGMUOGBMQDT-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)N(C)C ZINC001103445149 811183372 /nfs/dbraw/zinc/18/33/72/811183372.db2.gz ZZGSFFLBOQJOSR-UPJWGTAASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N(C)C ZINC001103445149 811183376 /nfs/dbraw/zinc/18/33/76/811183376.db2.gz ZZGSFFLBOQJOSR-UPJWGTAASA-N 1 3 298.431 -0.114 20 0 CBADHO Cc1cc(N(C(=N)N)C(=O)[C@H](N)C2CC[NH2+]CC2)n[nH]1 ZINC001157439704 815433914 /nfs/dbraw/zinc/43/39/14/815433914.db2.gz MIYOOOYFIMKEMD-SNVBAGLBSA-N 1 3 279.348 -0.729 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106905706 811318485 /nfs/dbraw/zinc/31/84/85/811318485.db2.gz DNGHQVMQZOXXDM-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038932 811322584 /nfs/dbraw/zinc/32/25/84/811322584.db2.gz HJHZWNVPWSAUQN-CHWSQXEVSA-N 1 3 298.431 -0.243 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536498 815442182 /nfs/dbraw/zinc/44/21/82/815442182.db2.gz NYXBMFUMDRAGLH-LPWJVIDDSA-N 1 3 284.379 -0.432 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)C[C@H]1F ZINC001157536454 815442778 /nfs/dbraw/zinc/44/27/78/815442778.db2.gz NDXIVMOSYGCNDQ-HPENLJRUSA-N 1 3 257.309 -0.739 20 0 CBADHO N[C@H]1CN(C(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)C[C@H]1F ZINC001157537039 815443920 /nfs/dbraw/zinc/44/39/20/815443920.db2.gz TUENPKWXPMIWDU-JCIQBVFBSA-N 1 3 271.336 -0.491 20 0 CBADHO N[C@@H](Cc1c[nH]c2ncccc12)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538461 815443996 /nfs/dbraw/zinc/44/39/96/815443996.db2.gz MKCCHEUBWQDCCA-WOPDTQHZSA-N 1 3 291.330 -0.060 20 0 CBADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978988 811505692 /nfs/dbraw/zinc/50/56/92/811505692.db2.gz OFDRQHNCMSIRQO-MQYQWHSLSA-N 1 3 299.415 -0.333 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157715829 815455203 /nfs/dbraw/zinc/45/52/03/815455203.db2.gz IQTXHSZJUSFRAC-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001157717008 815456869 /nfs/dbraw/zinc/45/68/69/815456869.db2.gz WCMKOTWKBZEPMI-GXFFZTMASA-N 1 3 287.335 -0.573 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157717348 815456949 /nfs/dbraw/zinc/45/69/49/815456949.db2.gz ZRWYLDSOCNHLEN-DCAQKATOSA-N 1 3 259.325 -0.477 20 0 CBADHO N[C@H](C(=O)N1CC(F)(F)CC[C@@H]1CO)C1CC[NH2+]CC1 ZINC001157730027 815457915 /nfs/dbraw/zinc/45/79/15/815457915.db2.gz GXSDIOAOENRDAG-MNOVXSKESA-N 1 3 291.342 -0.068 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157730814 815459462 /nfs/dbraw/zinc/45/94/62/815459462.db2.gz PLCHXSABUUALTN-DGCLKSJQSA-N 1 3 283.351 -0.041 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748800 815461301 /nfs/dbraw/zinc/46/13/01/815461301.db2.gz YTYATSXMHPEDPU-DJHSXXLPSA-N 1 3 293.408 -0.238 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@](O)(CF)CC1 ZINC001157782274 815466224 /nfs/dbraw/zinc/46/62/24/815466224.db2.gz XZYKFPLANCKVED-SMDDNHRTSA-N 1 3 285.363 -0.492 20 0 CBADHO CC(=O)CN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157863003 815474707 /nfs/dbraw/zinc/47/47/07/815474707.db2.gz OXPSPBOMAQEBOB-LLVKDONJSA-N 1 3 253.346 -0.092 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157844304 815470599 /nfs/dbraw/zinc/47/05/99/815470599.db2.gz VWXOMMRBBJAHRM-SCVCMEIPSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157844304 815470603 /nfs/dbraw/zinc/47/06/03/815470603.db2.gz VWXOMMRBBJAHRM-SCVCMEIPSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1C[C@@H](CO)N(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001157853599 815471878 /nfs/dbraw/zinc/47/18/78/815471878.db2.gz HRFHDOAFKLCNGX-GARJFASQSA-N 1 3 253.346 -0.975 20 0 CBADHO CC(=O)CN(C)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157863003 815474712 /nfs/dbraw/zinc/47/47/12/815474712.db2.gz OXPSPBOMAQEBOB-LLVKDONJSA-N 1 3 253.346 -0.092 20 0 CBADHO O=C(N1CCCC(=O)[C@H](F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157854485 815473515 /nfs/dbraw/zinc/47/35/15/815473515.db2.gz FLSNWMXGRGFKBF-JTNHKYCSSA-N 1 3 283.347 -0.285 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1F ZINC001157901029 815478753 /nfs/dbraw/zinc/47/87/53/815478753.db2.gz VPSIKFZXINUVNF-ATZCPNFKSA-N 1 3 279.381 -0.673 20 0 CBADHO COC[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157922443 815482997 /nfs/dbraw/zinc/48/29/97/815482997.db2.gz ODGUJKNOXMPJTK-NEPJUHHUSA-N 1 3 267.373 -0.177 20 0 CBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]cnc2C1 ZINC001157922557 815483250 /nfs/dbraw/zinc/48/32/50/815483250.db2.gz RBGIZNJBFWZGGD-NSHDSACASA-N 1 3 292.387 -0.955 20 0 CBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nc[nH]c2C1 ZINC001157922557 815483252 /nfs/dbraw/zinc/48/32/52/815483252.db2.gz RBGIZNJBFWZGGD-NSHDSACASA-N 1 3 292.387 -0.955 20 0 CBADHO O=C(N1CCNCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157937023 815488629 /nfs/dbraw/zinc/48/86/29/815488629.db2.gz NGYOUIVQCGSEMT-ZYHUDNBSSA-N 1 3 288.342 -0.747 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937364 815488658 /nfs/dbraw/zinc/48/86/58/815488658.db2.gz SONKMCURKKBJTB-MRVPVSSYSA-N 1 3 250.293 -0.880 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2n[nH]cc2C1 ZINC001157988542 815495519 /nfs/dbraw/zinc/49/55/19/815495519.db2.gz FVFZFQGVUMIOSM-JTQLQIEISA-N 1 3 261.329 -0.897 20 0 CBADHO N[C@H](C(=O)N1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001157989754 815496079 /nfs/dbraw/zinc/49/60/79/815496079.db2.gz SBJWATZSIOMJGA-LBPRGKRZSA-N 1 3 263.345 -0.379 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1O ZINC001157998313 815496689 /nfs/dbraw/zinc/49/66/89/815496689.db2.gz WCQCPTATFJONSL-SRVKXCTJSA-N 1 3 267.373 -0.300 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1O ZINC001157998313 815496691 /nfs/dbraw/zinc/49/66/91/815496691.db2.gz WCQCPTATFJONSL-SRVKXCTJSA-N 1 3 267.373 -0.300 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161851 815506920 /nfs/dbraw/zinc/50/69/20/815506920.db2.gz RKNJYBZABKNJKI-BLWXERESSA-N 1 3 287.429 -0.173 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001114849045 812164335 /nfs/dbraw/zinc/16/43/35/812164335.db2.gz JUVFAJCFWBFBLH-PDWCTOEPSA-N 1 3 299.415 -0.620 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001114849045 812164337 /nfs/dbraw/zinc/16/43/37/812164337.db2.gz JUVFAJCFWBFBLH-PDWCTOEPSA-N 1 3 299.415 -0.620 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161367 815507575 /nfs/dbraw/zinc/50/75/75/815507575.db2.gz UXIBMZJDVRKAOI-RISCZKNCSA-N 1 3 297.403 -0.493 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115160042 812183323 /nfs/dbraw/zinc/18/33/23/812183323.db2.gz NYZBVGGNPULLQF-CXTNEJHOSA-N 1 3 299.415 -0.618 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115160042 812183329 /nfs/dbraw/zinc/18/33/29/812183329.db2.gz NYZBVGGNPULLQF-CXTNEJHOSA-N 1 3 299.415 -0.618 20 0 CBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115292777 812189517 /nfs/dbraw/zinc/18/95/17/812189517.db2.gz VGQGFALCXPZJSR-NHAGDIPZSA-N 1 3 281.400 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115300388 812189699 /nfs/dbraw/zinc/18/96/99/812189699.db2.gz QVCCDFVMJAQZCW-IMRBUKKESA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115300388 812189705 /nfs/dbraw/zinc/18/97/05/812189705.db2.gz QVCCDFVMJAQZCW-IMRBUKKESA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001115304192 812190393 /nfs/dbraw/zinc/19/03/93/812190393.db2.gz PFAJCTCHGVEXND-CIQGVGRVSA-N 1 3 269.389 -0.246 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001115304192 812190395 /nfs/dbraw/zinc/19/03/95/812190395.db2.gz PFAJCTCHGVEXND-CIQGVGRVSA-N 1 3 269.389 -0.246 20 0 CBADHO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304494 812190568 /nfs/dbraw/zinc/19/05/68/812190568.db2.gz RUZZRBFOLKLZDP-CXTNEJHOSA-N 1 3 299.415 -0.620 20 0 CBADHO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304494 812190571 /nfs/dbraw/zinc/19/05/71/812190571.db2.gz RUZZRBFOLKLZDP-CXTNEJHOSA-N 1 3 299.415 -0.620 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158207751 815513826 /nfs/dbraw/zinc/51/38/26/815513826.db2.gz COYVPUQLUBMNMM-YFKTTZPYSA-N 1 3 280.372 -0.713 20 0 CBADHO N[C@H](C(=O)N1CC2(C1)CCCO2)C1CC[NH2+]CC1 ZINC001158239701 815516272 /nfs/dbraw/zinc/51/62/72/815516272.db2.gz GYSODKBWEQFFDW-NSHDSACASA-N 1 3 253.346 -0.295 20 0 CBADHO NC1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC1 ZINC001158260476 815517023 /nfs/dbraw/zinc/51/70/23/815517023.db2.gz DDOWPCHTGNRTCR-UHFFFAOYSA-N 1 3 276.344 -0.810 20 0 CBADHO NCc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158259289 815517417 /nfs/dbraw/zinc/51/74/17/815517417.db2.gz PYDSEZQTDJRHNM-LLVKDONJSA-N 1 3 276.388 -0.063 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305721 815519101 /nfs/dbraw/zinc/51/91/01/815519101.db2.gz KRXZNGNTCQYFRM-KQXIARHKSA-N 1 3 282.388 -0.704 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319494 815519470 /nfs/dbraw/zinc/51/94/70/815519470.db2.gz HNURMHCXFQMKNW-VGMNWLOBSA-N 1 3 295.355 -0.502 20 0 CBADHO NCc1cnnn1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001158423638 815527937 /nfs/dbraw/zinc/52/79/37/815527937.db2.gz WFRNZUSQEUDQNC-UHFFFAOYSA-N 1 3 274.332 -0.557 20 0 CBADHO CCN1CCC([NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001118085515 812468902 /nfs/dbraw/zinc/46/89/02/812468902.db2.gz GMTFLWWLPIKYMX-HNNXBMFYSA-N 1 3 284.448 -0.331 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422339 815528304 /nfs/dbraw/zinc/52/83/04/815528304.db2.gz KGNDHURDEJXGAD-CYDGBPFRSA-N 1 3 296.415 -0.173 20 0 CBADHO NCc1cnnn1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001158423267 815528513 /nfs/dbraw/zinc/52/85/13/815528513.db2.gz PXTRLWXELONIBA-UHFFFAOYSA-N 1 3 259.317 -0.017 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422092 815528541 /nfs/dbraw/zinc/52/85/41/815528541.db2.gz HUVMLLOZXYGBIF-HZLNVJGASA-N 1 3 259.375 -0.955 20 0 CBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CN)CC1 ZINC001118286860 812519983 /nfs/dbraw/zinc/51/99/83/812519983.db2.gz KWDBASSTEUNKFX-UHFFFAOYSA-N 1 3 256.350 -0.996 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001118337357 812534756 /nfs/dbraw/zinc/53/47/56/812534756.db2.gz FBIXOPLJXBJCID-MJBXVCDLSA-N 1 3 299.415 -0.033 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567170 815538524 /nfs/dbraw/zinc/53/85/24/815538524.db2.gz FKTJUIFUYOTHIC-ZMLRMANQSA-N 1 3 295.362 -0.185 20 0 CBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001158535126 815537399 /nfs/dbraw/zinc/53/73/99/815537399.db2.gz VVLQSZREFTUIKX-XUJVJEKNSA-N 1 3 295.383 -0.133 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH2+]C)C1 ZINC001118550367 812573632 /nfs/dbraw/zinc/57/36/32/812573632.db2.gz DZLSGSUCSMMRPE-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567170 815538527 /nfs/dbraw/zinc/53/85/27/815538527.db2.gz FKTJUIFUYOTHIC-ZMLRMANQSA-N 1 3 295.362 -0.185 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118571609 812580205 /nfs/dbraw/zinc/58/02/05/812580205.db2.gz GIPKBMKGVWTLEL-SNVBAGLBSA-N 1 3 265.317 -0.745 20 0 CBADHO O=C(N1CCCC(=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158661927 815542518 /nfs/dbraw/zinc/54/25/18/815542518.db2.gz ZRHHJVGSHIIMHB-BXUZGUMPSA-N 1 3 265.357 -0.233 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C[C@@H](O)CO ZINC001158798153 815548511 /nfs/dbraw/zinc/54/85/11/815548511.db2.gz FVPGMASVYAFSLW-NEPJUHHUSA-N 1 3 275.393 -0.706 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)c2c(CN)cnn2C)C[NH2+]1 ZINC001119243411 812731724 /nfs/dbraw/zinc/73/17/24/812731724.db2.gz RHLHGABZHKXWDA-WCBMZHEXSA-N 1 3 251.334 -0.251 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001119296526 812745642 /nfs/dbraw/zinc/74/56/42/812745642.db2.gz VBFRVVFQYRIXGJ-STQMWFEESA-N 1 3 286.395 -0.312 20 0 CBADHO CSCC[C@@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC001119300425 812747094 /nfs/dbraw/zinc/74/70/94/812747094.db2.gz UCYBHHNVJSCEKL-SECBINFHSA-N 1 3 261.391 -0.309 20 0 CBADHO CSCC[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC001119300426 812747546 /nfs/dbraw/zinc/74/75/46/812747546.db2.gz UCYBHHNVJSCEKL-VIFPVBQESA-N 1 3 261.391 -0.309 20 0 CBADHO [NH3+]CCN(CC(F)(F)F)C(=O)C[C@H]1CNCCO1 ZINC001119361746 812766422 /nfs/dbraw/zinc/76/64/22/812766422.db2.gz OZBHTLVEWUTJGV-QMMMGPOBSA-N 1 3 269.267 -0.286 20 0 CBADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC001119381757 812772764 /nfs/dbraw/zinc/77/27/64/812772764.db2.gz YKEKJLZBELPMKE-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO NCC(=O)N1CCC[C@H](C[NH2+][C@]23C[C@H]2COC3)C1 ZINC001119544173 812804636 /nfs/dbraw/zinc/80/46/36/812804636.db2.gz GPFFBMJQTSQEKI-MDZLAQPJSA-N 1 3 253.346 -0.438 20 0 CBADHO COC[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])Cc2cn(C)nc21 ZINC001159018291 815555202 /nfs/dbraw/zinc/55/52/02/815555202.db2.gz LEQGZGZFEYJIDL-NEPJUHHUSA-N 1 3 295.387 -0.442 20 0 CBADHO COCc1[nH]nc2c1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001159090959 815558591 /nfs/dbraw/zinc/55/85/91/815558591.db2.gz IKBMINNKLWWIJH-LKFCYVNXSA-N 1 3 291.355 -0.650 20 0 CBADHO COCc1[nH]nc2c1CN(C(=O)CNC1CC[NH2+]CC1)C2 ZINC001159091914 815558690 /nfs/dbraw/zinc/55/86/90/815558690.db2.gz WZTYMRJWUKCNJE-UHFFFAOYSA-N 1 3 293.371 -0.260 20 0 CBADHO COCc1[nH]nc2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001159090960 815558983 /nfs/dbraw/zinc/55/89/83/815558983.db2.gz IKBMINNKLWWIJH-OTYXRUKQSA-N 1 3 291.355 -0.650 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(N)=O ZINC001159156014 815561269 /nfs/dbraw/zinc/56/12/69/815561269.db2.gz ZYBMLSXJONIGTQ-JTQLQIEISA-N 1 3 276.356 -0.753 20 0 CBADHO COCc1n[nH]c2c1CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001159090608 815558252 /nfs/dbraw/zinc/55/82/52/815558252.db2.gz FZWOILMPXQOTJO-VIFPVBQESA-N 1 3 267.333 -0.536 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001120528655 812983468 /nfs/dbraw/zinc/98/34/68/812983468.db2.gz SCYMRGIZKNRTHO-LBPRGKRZSA-N 1 3 298.431 -0.194 20 0 CBADHO [NH3+]CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120538496 812985466 /nfs/dbraw/zinc/98/54/66/812985466.db2.gz OKXXVWFSTDLVDH-GHMZBOCLSA-N 1 3 256.350 -0.814 20 0 CBADHO CCN1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001120569685 812993516 /nfs/dbraw/zinc/99/35/16/812993516.db2.gz GADPPHFXBFEIFK-LSDHHAIUSA-N 1 3 284.448 -0.331 20 0 CBADHO O[C@@H](CN[C@@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602740 812998579 /nfs/dbraw/zinc/99/85/79/812998579.db2.gz GUOWVTLIYNTHKD-YPMHNXCESA-N 1 3 250.346 -0.146 20 0 CBADHO O[C@@H](C[NH2+][C@@H]1Cc2cncn2C1)CN1CCCC1 ZINC001120602740 812998585 /nfs/dbraw/zinc/99/85/85/812998585.db2.gz GUOWVTLIYNTHKD-YPMHNXCESA-N 1 3 250.346 -0.146 20 0 CBADHO [NH3+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120625500 813002404 /nfs/dbraw/zinc/00/24/04/813002404.db2.gz JMOSPLLVZPSPAK-RYUDHWBXSA-N 1 3 270.377 -0.424 20 0 CBADHO [NH3+]CCNCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001121900141 813087138 /nfs/dbraw/zinc/08/71/38/813087138.db2.gz CJYSKMGAFHJCPH-AWEZNQCLSA-N 1 3 276.384 -0.075 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001122099694 813116654 /nfs/dbraw/zinc/11/66/54/813116654.db2.gz JEQYEBXXYIYPLI-TUAOUCFPSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H](Nc1ncc2c(n1)CCNC2)[C@H]1C[NH2+]CCO1 ZINC001159500821 815577608 /nfs/dbraw/zinc/57/76/08/815577608.db2.gz XTRSSTWWMDFKCY-BXKDBHETSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1ncc2c(n1)CC[NH2+]C2)[C@H]1CNCCO1 ZINC001159500821 815577609 /nfs/dbraw/zinc/57/76/09/815577609.db2.gz XTRSSTWWMDFKCY-BXKDBHETSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1cncc(N2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001159502245 815577736 /nfs/dbraw/zinc/57/77/36/815577736.db2.gz ZDYHMOBCYVZUKX-NEPJUHHUSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@H](Nc1ncnc2c1CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001159490596 815577889 /nfs/dbraw/zinc/57/78/89/815577889.db2.gz XJIXYDXELSERPY-GWCFXTLKSA-N 1 3 277.372 -0.046 20 0 CBADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1COC2(CNC2)C1 ZINC001122142489 813123664 /nfs/dbraw/zinc/12/36/64/813123664.db2.gz RWCLNERHGJKSEV-QWRGUYRKSA-N 1 3 253.346 -0.234 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001122142772 813123735 /nfs/dbraw/zinc/12/37/35/813123735.db2.gz ZWHPJHYPWCZQPF-LOWVWBTDSA-N 1 3 265.357 -0.377 20 0 CBADHO CC[C@@H](C(=O)NCCN1CCC([NH3+])CC1)N(C)C ZINC001122157674 813126080 /nfs/dbraw/zinc/12/60/80/813126080.db2.gz SBTNCYAZAMYOMW-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCCN1CCC([NH3+])CC1 ZINC001122157791 813126209 /nfs/dbraw/zinc/12/62/09/813126209.db2.gz VQNUQOJSLFHOLE-VIFPVBQESA-N 1 3 264.320 -0.492 20 0 CBADHO CCC1([NH3+])CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001122208419 813134012 /nfs/dbraw/zinc/13/40/12/813134012.db2.gz UAPFJHWUPZRTAZ-NSHDSACASA-N 1 3 254.378 -0.380 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCC3(CC2)CNCCO3)C1 ZINC001122233284 813136154 /nfs/dbraw/zinc/13/61/54/813136154.db2.gz IKZKEVSWEAQUBT-PHIMTYICSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC001122295167 813141658 /nfs/dbraw/zinc/14/16/58/813141658.db2.gz FELSNFNQTBJSIR-IJLUTSLNSA-N 1 3 255.362 -0.192 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC001122362804 813153039 /nfs/dbraw/zinc/15/30/39/813153039.db2.gz GUUUSGLCAGXOPK-GHMZBOCLSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001122412735 813162153 /nfs/dbraw/zinc/16/21/53/813162153.db2.gz XZJZYZPOVVKIMS-GIPNMCIBSA-N 1 3 269.345 -0.393 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CCC[NH2+]CC1 ZINC001122494606 813170396 /nfs/dbraw/zinc/17/03/96/813170396.db2.gz HLUPRCSZPYYFOW-RYUDHWBXSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494604 813170838 /nfs/dbraw/zinc/17/08/38/813170838.db2.gz HLUPRCSZPYYFOW-NEPJUHHUSA-N 1 3 255.362 -0.129 20 0 CBADHO CN1CCN(c2nccc(N[C@H](N)CCC[NH3+])n2)CC1 ZINC001159787910 815596354 /nfs/dbraw/zinc/59/63/54/815596354.db2.gz DROSBRHCKCOETF-NSHDSACASA-N 1 3 279.392 -0.336 20 0 CBADHO [NH3+]CCCCn1cc(C(=O)N2CCN3CC[C@H]2C3)nn1 ZINC001122601408 813179383 /nfs/dbraw/zinc/17/93/83/813179383.db2.gz COLDVEKBYKIZNT-NSHDSACASA-N 1 3 278.360 -0.453 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001159855014 815601133 /nfs/dbraw/zinc/60/11/33/815601133.db2.gz ZWHNMWCPBIVGJF-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001124866515 813489694 /nfs/dbraw/zinc/48/96/94/813489694.db2.gz FBNZFDLPATZISJ-ZYHUDNBSSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866943 813489819 /nfs/dbraw/zinc/48/98/19/813489819.db2.gz NZZMIHBSHQCGCL-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC001124866513 813489861 /nfs/dbraw/zinc/48/98/61/813489861.db2.gz FBNZFDLPATZISJ-JQWIXIFHSA-N 1 3 282.388 -0.547 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001124873582 813493826 /nfs/dbraw/zinc/49/38/26/813493826.db2.gz ZFHOTOCFYBLFLW-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001127065612 813708962 /nfs/dbraw/zinc/70/89/62/813708962.db2.gz CBWBVROMCWDALT-CYBMUJFWSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001127065612 813708969 /nfs/dbraw/zinc/70/89/69/813708969.db2.gz CBWBVROMCWDALT-CYBMUJFWSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082502 813711046 /nfs/dbraw/zinc/71/10/46/813711046.db2.gz SHHBNHDEFGCWBW-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082502 813711050 /nfs/dbraw/zinc/71/10/50/813711050.db2.gz SHHBNHDEFGCWBW-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255595 813722333 /nfs/dbraw/zinc/72/23/33/813722333.db2.gz KDJOUYKQWZTEAQ-GHMZBOCLSA-N 1 3 268.361 -0.948 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255595 813722340 /nfs/dbraw/zinc/72/23/40/813722340.db2.gz KDJOUYKQWZTEAQ-GHMZBOCLSA-N 1 3 268.361 -0.948 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257350 813722361 /nfs/dbraw/zinc/72/23/61/813722361.db2.gz XVMPCHHYVNWZKY-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257350 813722369 /nfs/dbraw/zinc/72/23/69/813722369.db2.gz XVMPCHHYVNWZKY-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475136 813732120 /nfs/dbraw/zinc/73/21/20/813732120.db2.gz RIKWFVPMEUZAFC-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480466 813733006 /nfs/dbraw/zinc/73/30/06/813733006.db2.gz KKVVVFAQVXTESW-CHWSQXEVSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001127481129 813733361 /nfs/dbraw/zinc/73/33/61/813733361.db2.gz PVKRVFJWZXNWAF-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481572 813733452 /nfs/dbraw/zinc/73/34/52/813733452.db2.gz USPYWIVLCRTHMA-JQWIXIFHSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCc2cncn2C)CC[N@@H+]1C ZINC001127685216 813740690 /nfs/dbraw/zinc/74/06/90/813740690.db2.gz IONJBXVSWYJHGA-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCc2cncn2C)CC[N@H+]1C ZINC001127685216 813740696 /nfs/dbraw/zinc/74/06/96/813740696.db2.gz IONJBXVSWYJHGA-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC)CC[N@@H+]1C ZINC001127690196 813741534 /nfs/dbraw/zinc/74/15/34/813741534.db2.gz GUGSWWMHDRQULK-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC)CC[N@H+]1C ZINC001127690196 813741541 /nfs/dbraw/zinc/74/15/41/813741541.db2.gz GUGSWWMHDRQULK-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001127695784 813741650 /nfs/dbraw/zinc/74/16/50/813741650.db2.gz YCPOJQIYFHMHCZ-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001127695784 813741654 /nfs/dbraw/zinc/74/16/54/813741654.db2.gz YCPOJQIYFHMHCZ-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC ZINC001128773533 813797962 /nfs/dbraw/zinc/79/79/62/813797962.db2.gz AQGJUGKGPBPDNN-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC ZINC001128773533 813797967 /nfs/dbraw/zinc/79/79/67/813797967.db2.gz AQGJUGKGPBPDNN-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001128779751 813799066 /nfs/dbraw/zinc/79/90/66/813799066.db2.gz XOUBSLTWFUDZKT-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001128779751 813799072 /nfs/dbraw/zinc/79/90/72/813799072.db2.gz XOUBSLTWFUDZKT-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001128786131 813799149 /nfs/dbraw/zinc/79/91/49/813799149.db2.gz RTDFJCBUKPRIDG-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001128786131 813799154 /nfs/dbraw/zinc/79/91/54/813799154.db2.gz RTDFJCBUKPRIDG-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+]CCN2CCCC2=O)CCC1 ZINC001129357399 813836100 /nfs/dbraw/zinc/83/61/00/813836100.db2.gz KFITYALTHDDLHG-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001129356779 813836481 /nfs/dbraw/zinc/83/64/81/813836481.db2.gz HXHBCMFGMAGSNR-SECBINFHSA-N 1 3 256.350 -0.950 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)CCC1 ZINC001129356176 813836758 /nfs/dbraw/zinc/83/67/58/813836758.db2.gz DAFAPPBSLVEIJI-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001129358039 813839025 /nfs/dbraw/zinc/83/90/25/813839025.db2.gz POCJARZMSIIPAR-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)C1CC1 ZINC001129436087 813842043 /nfs/dbraw/zinc/84/20/43/813842043.db2.gz MKPCPXDESHSVPP-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001129418987 813843648 /nfs/dbraw/zinc/84/36/48/813843648.db2.gz ZTGUHRZPLAITPK-OLZOCXBDSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001129418987 813843658 /nfs/dbraw/zinc/84/36/58/813843658.db2.gz ZTGUHRZPLAITPK-OLZOCXBDSA-N 1 3 296.415 -0.156 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437401 813844955 /nfs/dbraw/zinc/84/49/55/813844955.db2.gz ZXAPBJDYZGAUGS-GFCCVEGCSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839581 813869725 /nfs/dbraw/zinc/86/97/25/813869725.db2.gz BZSLGZOYXBLVCA-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839581 813869734 /nfs/dbraw/zinc/86/97/34/813869734.db2.gz BZSLGZOYXBLVCA-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839578 813871872 /nfs/dbraw/zinc/87/18/72/813871872.db2.gz BZSLGZOYXBLVCA-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839578 813871889 /nfs/dbraw/zinc/87/18/89/813871889.db2.gz BZSLGZOYXBLVCA-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001129949663 813882092 /nfs/dbraw/zinc/88/20/92/813882092.db2.gz HGZTZCVDERFAEJ-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947203 813882267 /nfs/dbraw/zinc/88/22/67/813882267.db2.gz OETGMJYFNWQBEN-ZDUSSCGKSA-N 1 3 289.420 -0.059 20 0 CBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N1CCC1)[NH+](C)C ZINC001129947431 813882824 /nfs/dbraw/zinc/88/28/24/813882824.db2.gz ZNJBHVGDRHIANB-ZDUSSCGKSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001129949990 813883282 /nfs/dbraw/zinc/88/32/82/813883282.db2.gz NJLNSUUVPDORTA-YPMHNXCESA-N 1 3 298.431 -0.055 20 0 CBADHO O=C(NCCN[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130171168 813914309 /nfs/dbraw/zinc/91/43/09/813914309.db2.gz IZJCFXQRKFJANB-LBPRGKRZSA-N 1 3 294.399 -0.543 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001130199999 813916277 /nfs/dbraw/zinc/91/62/77/813916277.db2.gz APIBMHNJGTVSLB-QWHCGFSZSA-N 1 3 297.403 -0.710 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001130205006 813918273 /nfs/dbraw/zinc/91/82/73/813918273.db2.gz DXUAXONQZCTOGT-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCOCCO ZINC001130424980 813938504 /nfs/dbraw/zinc/93/85/04/813938504.db2.gz JMWUOELPJUPXFX-UHFFFAOYSA-N 1 3 275.393 -0.569 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130427894 813938579 /nfs/dbraw/zinc/93/85/79/813938579.db2.gz SRKAZNYRBPQMHR-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC1CC1 ZINC001130419076 813938963 /nfs/dbraw/zinc/93/89/63/813938963.db2.gz KGXFDAAGUPUDGM-UHFFFAOYSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC1CC1 ZINC001130419076 813938967 /nfs/dbraw/zinc/93/89/67/813938967.db2.gz KGXFDAAGUPUDGM-UHFFFAOYSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(N)=O ZINC001130558508 813952810 /nfs/dbraw/zinc/95/28/10/813952810.db2.gz BEJSALCGNSVSFM-NSHDSACASA-N 1 3 293.371 -0.513 20 0 CBADHO CC(C)[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522098 814036723 /nfs/dbraw/zinc/03/67/23/814036723.db2.gz SEULIIALEQEPML-LXVYMNJGSA-N 1 3 267.373 -0.036 20 0 CBADHO C[NH+](C)C1(CC(=O)NCCNCC(N)=O)CCCC1 ZINC001131837106 814073327 /nfs/dbraw/zinc/07/33/27/814073327.db2.gz PDYJQYXNBPZXLV-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)(C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001132283691 814120846 /nfs/dbraw/zinc/12/08/46/814120846.db2.gz CZBOWKXJKGYBKE-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)CN1CCO ZINC001132425608 814149684 /nfs/dbraw/zinc/14/96/84/814149684.db2.gz JTBNBUCGYSIRBQ-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001132887019 814196760 /nfs/dbraw/zinc/19/67/60/814196760.db2.gz ZHNMDRBIEYYYCI-SDDRHHMPSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001132887019 814196770 /nfs/dbraw/zinc/19/67/70/814196770.db2.gz ZHNMDRBIEYYYCI-SDDRHHMPSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)C)CC[N@@H+]1C ZINC001132886132 814196898 /nfs/dbraw/zinc/19/68/98/814196898.db2.gz DBVYUBZTFDPEHO-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)C)CC[N@H+]1C ZINC001132886132 814196904 /nfs/dbraw/zinc/19/69/04/814196904.db2.gz DBVYUBZTFDPEHO-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001132887020 814197094 /nfs/dbraw/zinc/19/70/94/814197094.db2.gz ZHNMDRBIEYYYCI-SRVKXCTJSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001132887020 814197096 /nfs/dbraw/zinc/19/70/96/814197096.db2.gz ZHNMDRBIEYYYCI-SRVKXCTJSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893064 814199535 /nfs/dbraw/zinc/19/95/35/814199535.db2.gz JBHXDMFTQTZJJW-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893064 814199539 /nfs/dbraw/zinc/19/95/39/814199539.db2.gz JBHXDMFTQTZJJW-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993253 814206323 /nfs/dbraw/zinc/20/63/23/814206323.db2.gz PYBAQCSGUJNRLT-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993050 814206407 /nfs/dbraw/zinc/20/64/07/814206407.db2.gz LMCGNEOIVBHZFU-UHFFFAOYSA-N 1 3 270.377 -0.878 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993457 814206458 /nfs/dbraw/zinc/20/64/58/814206458.db2.gz VFNKTAKHWDWOJW-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001132995463 814206864 /nfs/dbraw/zinc/20/68/64/814206864.db2.gz UNVFSCGQGMVFGP-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995050 814207255 /nfs/dbraw/zinc/20/72/55/814207255.db2.gz KBJZGYDNJDUOGV-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133135659 814220606 /nfs/dbraw/zinc/22/06/06/814220606.db2.gz VFLSUWSABRSVIG-QWRGUYRKSA-N 1 3 293.371 -0.488 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133274337 814234513 /nfs/dbraw/zinc/23/45/13/814234513.db2.gz GMAVANNXTZIXJZ-OLZOCXBDSA-N 1 3 298.431 -0.112 20 0 CBADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294868 814240325 /nfs/dbraw/zinc/24/03/25/814240325.db2.gz XPQRYRQKSXQDHO-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419358 814251330 /nfs/dbraw/zinc/25/13/30/814251330.db2.gz OETGMJYFNWQBEN-CYBMUJFWSA-N 1 3 289.420 -0.059 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001133434329 814253334 /nfs/dbraw/zinc/25/33/34/814253334.db2.gz NJLNSUUVPDORTA-DGCLKSJQSA-N 1 3 298.431 -0.055 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819369 814299001 /nfs/dbraw/zinc/29/90/01/814299001.db2.gz AAWHSSVDRPUVJH-ZDUSSCGKSA-N 1 3 287.404 -0.161 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819668 814299623 /nfs/dbraw/zinc/29/96/23/814299623.db2.gz KQLBHMTUGBCNND-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819668 814299629 /nfs/dbraw/zinc/29/96/29/814299629.db2.gz KQLBHMTUGBCNND-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N(C)C ZINC001133819523 814300379 /nfs/dbraw/zinc/30/03/79/814300379.db2.gz FHYRYXUXEOUJDG-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N(C)C ZINC001133819523 814300380 /nfs/dbraw/zinc/30/03/80/814300380.db2.gz FHYRYXUXEOUJDG-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133824004 814302084 /nfs/dbraw/zinc/30/20/84/814302084.db2.gz VQVRKXPADVTXBR-LBPRGKRZSA-N 1 3 297.403 -0.798 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133823987 814303207 /nfs/dbraw/zinc/30/32/07/814303207.db2.gz VASRHQUWIALZRQ-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001133845739 814307199 /nfs/dbraw/zinc/30/71/99/814307199.db2.gz MMYIZTWVTVPFGJ-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845577 814307864 /nfs/dbraw/zinc/30/78/64/814307864.db2.gz IWSYTKNKRRBIPI-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845577 814307873 /nfs/dbraw/zinc/30/78/73/814307873.db2.gz IWSYTKNKRRBIPI-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849828 814308230 /nfs/dbraw/zinc/30/82/30/814308230.db2.gz FCXIJIQPLFXSLX-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849828 814308241 /nfs/dbraw/zinc/30/82/41/814308241.db2.gz FCXIJIQPLFXSLX-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845431 814308660 /nfs/dbraw/zinc/30/86/60/814308660.db2.gz FTYDBSZQDPCZKM-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845431 814308668 /nfs/dbraw/zinc/30/86/68/814308668.db2.gz FTYDBSZQDPCZKM-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845521 814309110 /nfs/dbraw/zinc/30/91/10/814309110.db2.gz HYPYJDCHDSIMDY-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845521 814309120 /nfs/dbraw/zinc/30/91/20/814309120.db2.gz HYPYJDCHDSIMDY-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCO)C1 ZINC001133856335 814310224 /nfs/dbraw/zinc/31/02/24/814310224.db2.gz CUMVEIIAIYEWHB-CYBMUJFWSA-N 1 3 275.368 -0.103 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCc2cncn2C)C1 ZINC001133853694 814311839 /nfs/dbraw/zinc/31/18/39/814311839.db2.gz OTINUWSJHQTOSA-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCc2cncn2C)C1 ZINC001133853694 814311848 /nfs/dbraw/zinc/31/18/48/814311848.db2.gz OTINUWSJHQTOSA-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCO)C1 ZINC001133856336 814312143 /nfs/dbraw/zinc/31/21/43/814312143.db2.gz CUMVEIIAIYEWHB-ZDUSSCGKSA-N 1 3 275.368 -0.103 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868153 814312833 /nfs/dbraw/zinc/31/28/33/814312833.db2.gz ZXRVVEYEVVUKCJ-RYUDHWBXSA-N 1 3 282.388 -0.878 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868153 814312836 /nfs/dbraw/zinc/31/28/36/814312836.db2.gz ZXRVVEYEVVUKCJ-RYUDHWBXSA-N 1 3 282.388 -0.878 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865208 814312865 /nfs/dbraw/zinc/31/28/65/814312865.db2.gz AICDHWRQJCNJBU-WCQYABFASA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865208 814312872 /nfs/dbraw/zinc/31/28/72/814312872.db2.gz AICDHWRQJCNJBU-WCQYABFASA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccnn1C ZINC001133866692 814314188 /nfs/dbraw/zinc/31/41/88/814314188.db2.gz NRUSULWCEQVJHR-WCQYABFASA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccnn1C ZINC001133866692 814314198 /nfs/dbraw/zinc/31/41/98/814314198.db2.gz NRUSULWCEQVJHR-WCQYABFASA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867397 814315571 /nfs/dbraw/zinc/31/55/71/814315571.db2.gz UAIWJPSFDXSCFM-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867397 814315580 /nfs/dbraw/zinc/31/55/80/814315580.db2.gz UAIWJPSFDXSCFM-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867400 814315809 /nfs/dbraw/zinc/31/58/09/814315809.db2.gz UAIWJPSFDXSCFM-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867400 814315821 /nfs/dbraw/zinc/31/58/21/814315821.db2.gz UAIWJPSFDXSCFM-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870428 814317345 /nfs/dbraw/zinc/31/73/45/814317345.db2.gz SZBSYMFYEQRGKZ-QWHCGFSZSA-N 1 3 298.431 -0.194 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870428 814317353 /nfs/dbraw/zinc/31/73/53/814317353.db2.gz SZBSYMFYEQRGKZ-QWHCGFSZSA-N 1 3 298.431 -0.194 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133896737 814320921 /nfs/dbraw/zinc/32/09/21/814320921.db2.gz QZCBSEBCTUOLRS-UHFFFAOYSA-N 1 3 287.404 -0.567 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133893314 814321302 /nfs/dbraw/zinc/32/13/02/814321302.db2.gz CACJEJOVZCZNDZ-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001133962706 814331516 /nfs/dbraw/zinc/33/15/16/814331516.db2.gz MMYUTUMSBAWPEL-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001133965700 814331629 /nfs/dbraw/zinc/33/16/29/814331629.db2.gz GBUHBJCYIUQNBH-NSHDSACASA-N 1 3 293.433 -0.533 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCn1cncn1)N(C)C ZINC001133965687 814331939 /nfs/dbraw/zinc/33/19/39/814331939.db2.gz FDEZZGFLGCYOHV-NSHDSACASA-N 1 3 268.365 -0.676 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915051 815604976 /nfs/dbraw/zinc/60/49/76/815604976.db2.gz GXYIUWDCNHGXGY-LBPRGKRZSA-N 1 3 270.377 -0.832 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001159931483 815605697 /nfs/dbraw/zinc/60/56/97/815605697.db2.gz DVTNKMMSZKWQMI-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001159997019 815606015 /nfs/dbraw/zinc/60/60/15/815606015.db2.gz BFRKYHTYOKTPLE-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCn1cncn1)C1CC1 ZINC001159932965 815606398 /nfs/dbraw/zinc/60/63/98/815606398.db2.gz WXBNCSYLAQMNMU-ZDUSSCGKSA-N 1 3 294.403 -0.286 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001160003478 815607371 /nfs/dbraw/zinc/60/73/71/815607371.db2.gz QAJHACGRJDLCSD-GFCCVEGCSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135510651 814479850 /nfs/dbraw/zinc/47/98/50/814479850.db2.gz DPGJMXLRFLYZDK-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001135513733 814480786 /nfs/dbraw/zinc/48/07/86/814480786.db2.gz WSWVUVAHOHHPKY-UHFFFAOYSA-N 1 3 268.365 -0.674 20 0 CBADHO CN(CC(=O)NCCC[NH2+]CCn1cncn1)C1CCC1 ZINC001160003347 815608276 /nfs/dbraw/zinc/60/82/76/815608276.db2.gz KJUYIJZXLWYYAL-UHFFFAOYSA-N 1 3 294.403 -0.142 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135512854 814481173 /nfs/dbraw/zinc/48/11/73/814481173.db2.gz ALMFYJSKHLIIQN-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135743500 814516790 /nfs/dbraw/zinc/51/67/90/814516790.db2.gz LKTVFNNJOSHCDT-NWDGAFQWSA-N 1 3 286.420 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001160427480 815619462 /nfs/dbraw/zinc/61/94/62/815619462.db2.gz RVBMBMQFUNMSJV-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CCC(=O)N(C)C ZINC001143063159 814754424 /nfs/dbraw/zinc/75/44/24/814754424.db2.gz PBMINFDOBKAJBB-UHFFFAOYSA-N 1 3 285.392 -0.081 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159687455 815588957 /nfs/dbraw/zinc/58/89/57/815588957.db2.gz AWQLKDXRTHHXEC-AVERBVTBSA-N 1 3 294.399 -0.334 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001146711141 814844362 /nfs/dbraw/zinc/84/43/62/814844362.db2.gz PISQHVDZINEDKO-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001146711141 814844366 /nfs/dbraw/zinc/84/43/66/814844366.db2.gz PISQHVDZINEDKO-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826283 814918185 /nfs/dbraw/zinc/91/81/85/814918185.db2.gz UVFYJOCCELDYPD-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO Cc1nn(C)cc1CNCCNC(=O)COCC[NH+](C)C ZINC001147841319 814919500 /nfs/dbraw/zinc/91/95/00/814919500.db2.gz FCMUVAZTGVNVQB-UHFFFAOYSA-N 1 3 297.403 -0.487 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147877002 814920629 /nfs/dbraw/zinc/92/06/29/814920629.db2.gz BSBQNTUGSLWPMC-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147877002 814920635 /nfs/dbraw/zinc/92/06/35/814920635.db2.gz BSBQNTUGSLWPMC-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO Cn1cncc1CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877909 814922871 /nfs/dbraw/zinc/92/28/71/814922871.db2.gz PKMHCGAZIOXTIK-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1cncc1CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877909 814922872 /nfs/dbraw/zinc/92/28/72/814922872.db2.gz PKMHCGAZIOXTIK-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1cncc1CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877908 814922951 /nfs/dbraw/zinc/92/29/51/814922951.db2.gz PKMHCGAZIOXTIK-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1cncc1CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877908 814922955 /nfs/dbraw/zinc/92/29/55/814922955.db2.gz PKMHCGAZIOXTIK-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915651 815604027 /nfs/dbraw/zinc/60/40/27/815604027.db2.gz LMNKDCUMZXAENT-CYBMUJFWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001159925039 815604632 /nfs/dbraw/zinc/60/46/32/815604632.db2.gz NKILWSYQOYLPAR-GXSJLCMTSA-N 1 3 270.377 -0.704 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428402 815621427 /nfs/dbraw/zinc/62/14/27/815621427.db2.gz TYPFNYJWHXWEGY-XWLWVQCSSA-N 1 3 253.321 -0.246 20 0 CBADHO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160451680 815623411 /nfs/dbraw/zinc/62/34/11/815623411.db2.gz TYDLLDXWRWEMSA-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO NC(=O)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160456489 815624735 /nfs/dbraw/zinc/62/47/35/815624735.db2.gz KOCIIFYJPHWJPI-NSHDSACASA-N 1 3 295.387 -0.917 20 0 CBADHO NC(=O)N1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160456489 815624738 /nfs/dbraw/zinc/62/47/38/815624738.db2.gz KOCIIFYJPHWJPI-NSHDSACASA-N 1 3 295.387 -0.917 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160454775 815624756 /nfs/dbraw/zinc/62/47/56/815624756.db2.gz TZFINHKYINFROP-CYBMUJFWSA-N 1 3 296.415 -0.883 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160471461 815626070 /nfs/dbraw/zinc/62/60/70/815626070.db2.gz YWPPTNVLBBSDMC-NSHDSACASA-N 1 3 272.393 -0.231 20 0 CBADHO COCCN(C(=O)[C@H]1C[NH2+]CC12CNC2)C(C)C ZINC001160463216 815625159 /nfs/dbraw/zinc/62/51/59/815625159.db2.gz HOWGZOILHWXJBJ-LLVKDONJSA-N 1 3 255.362 -0.321 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001160455021 815625390 /nfs/dbraw/zinc/62/53/90/815625390.db2.gz XEJLDBZDODQWJT-HXPMCKFVSA-N 1 3 289.445 -0.118 20 0 CBADHO N[C@@H](C(=O)N1CCCC12COC2)C1CC[NH2+]CC1 ZINC001160542078 815635580 /nfs/dbraw/zinc/63/55/80/815635580.db2.gz NOYLFMVSCWHGRD-LLVKDONJSA-N 1 3 253.346 -0.295 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2ncccc2C1 ZINC001160549085 815637456 /nfs/dbraw/zinc/63/74/56/815637456.db2.gz PMDHXTWDOPYVGU-GFCCVEGCSA-N 1 3 272.352 -0.225 20 0 CBADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160583424 815641201 /nfs/dbraw/zinc/64/12/01/815641201.db2.gz XXUBGAAMNVECQT-NEPJUHHUSA-N 1 3 295.383 -0.260 20 0 CBADHO COC(=O)C[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596934 815644473 /nfs/dbraw/zinc/64/44/73/815644473.db2.gz XPORMZOCXRCCFF-DGCLKSJQSA-N 1 3 299.371 -0.896 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H](n2cncn2)C1 ZINC001160635606 815646629 /nfs/dbraw/zinc/64/66/29/815646629.db2.gz BCCQQEWWRWXUKK-NWDGAFQWSA-N 1 3 290.371 -0.749 20 0 CBADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160635880 815648020 /nfs/dbraw/zinc/64/80/20/815648020.db2.gz MKIOGVQAKZDMDM-ZWNOBZJWSA-N 1 3 271.361 -0.146 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(C)(N(C)C)C1 ZINC001160645591 815650233 /nfs/dbraw/zinc/65/02/33/815650233.db2.gz PYEJWDGWUZSVOL-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CC1COC1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160644536 815650996 /nfs/dbraw/zinc/65/09/96/815650996.db2.gz GCQLPJFMXLJYGY-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(CC1COC1)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160644536 815650998 /nfs/dbraw/zinc/65/09/98/815650998.db2.gz GCQLPJFMXLJYGY-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO CO[C@@H]1CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001160647245 815651402 /nfs/dbraw/zinc/65/14/02/815651402.db2.gz CMRWYSZGJJSDPV-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C(N1CCN2C(=O)CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160647270 815651635 /nfs/dbraw/zinc/65/16/35/815651635.db2.gz DOPHXVGVXUWPRY-LALPHHSUSA-N 1 3 292.383 -0.981 20 0 CBADHO N[C@@H](C(=O)N1CCN2C(=O)CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160647827 815651967 /nfs/dbraw/zinc/65/19/67/815651967.db2.gz UXMMNAMWPHSHQF-DGCLKSJQSA-N 1 3 280.372 -0.854 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647466 815652254 /nfs/dbraw/zinc/65/22/54/815652254.db2.gz KNCFCMWGRNUKBS-AEJSXWLSSA-N 1 3 255.297 -0.823 20 0 CBADHO CN(Cc1ccon1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160688552 815657517 /nfs/dbraw/zinc/65/75/17/815657517.db2.gz QGGWNLFRDOCRGE-SNVBAGLBSA-N 1 3 250.302 -0.558 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001160694749 815659226 /nfs/dbraw/zinc/65/92/26/815659226.db2.gz DOAJBJCSLKLNNM-PWSUYJOCSA-N 1 3 265.361 -0.263 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160694749 815659230 /nfs/dbraw/zinc/65/92/30/815659230.db2.gz DOAJBJCSLKLNNM-PWSUYJOCSA-N 1 3 265.361 -0.263 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160698528 815660316 /nfs/dbraw/zinc/66/03/16/815660316.db2.gz LRYWMHXFHZZHTH-SCRDCRAPSA-N 1 3 298.431 -0.066 20 0 CBADHO NC[C@H](N)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160699042 815660558 /nfs/dbraw/zinc/66/05/58/815660558.db2.gz YMKWCYDJKPUBPS-LBPRGKRZSA-N 1 3 274.368 -0.060 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705276 815662290 /nfs/dbraw/zinc/66/22/90/815662290.db2.gz MBYRZHXLQDULGD-RKDXNWHRSA-N 1 3 293.289 -0.415 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160718842 815663824 /nfs/dbraw/zinc/66/38/24/815663824.db2.gz ULIPYEWLNRPBDN-YUMQZZPRSA-N 1 3 263.363 -0.975 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160715400 815663957 /nfs/dbraw/zinc/66/39/57/815663957.db2.gz CEKAVKXHAGSLIY-SNVBAGLBSA-N 1 3 296.371 -0.902 20 0 CBADHO CCN(CC(C)(C)O)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160755369 815666881 /nfs/dbraw/zinc/66/68/81/815666881.db2.gz GMKCMFZKQXIMRZ-SNVBAGLBSA-N 1 3 255.362 -0.585 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160761187 815668541 /nfs/dbraw/zinc/66/85/41/815668541.db2.gz WYRYAZTXHRTBKM-JTQLQIEISA-N 1 3 283.401 -0.713 20 0 CBADHO N[C@H](C(=O)N1CCc2nccn2CC1)C1CC[NH2+]CC1 ZINC001160760203 815668592 /nfs/dbraw/zinc/66/85/92/815668592.db2.gz HGFAKTIFIMEGPR-ZDUSSCGKSA-N 1 3 277.372 -0.405 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760167 815668649 /nfs/dbraw/zinc/66/86/49/815668649.db2.gz FWOPRBUVQPBSLJ-AEJSXWLSSA-N 1 3 277.315 -0.207 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001160837185 815676146 /nfs/dbraw/zinc/67/61/46/815676146.db2.gz DYIQFNYUZHGBLH-RFQIPJPRSA-N 1 3 297.399 -0.458 20 0 CBADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160833924 815676227 /nfs/dbraw/zinc/67/62/27/815676227.db2.gz VFSKHMMMJMSJIK-WDEREUQCSA-N 1 3 271.361 -0.146 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001160883617 815685466 /nfs/dbraw/zinc/68/54/66/815685466.db2.gz PWVUURLZKNTZIE-VXGBXAGGSA-N 1 3 275.393 -0.570 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N(CCO)CC(F)(F)F ZINC001160909371 815686773 /nfs/dbraw/zinc/68/67/73/815686773.db2.gz SZHFSMOQJQBLNJ-MRVPVSSYSA-N 1 3 281.278 -0.821 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915792 815687247 /nfs/dbraw/zinc/68/72/47/815687247.db2.gz MQGQTGXIXRKFEB-QMMMGPOBSA-N 1 3 271.271 -0.236 20 0 CBADHO N[C@@H](C(=O)N(CCO)CC(F)(F)F)C1CC[NH2+]CC1 ZINC001160909127 815687259 /nfs/dbraw/zinc/68/72/59/815687259.db2.gz NBGKCOBACQKDJD-SECBINFHSA-N 1 3 283.294 -0.304 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007477 815694649 /nfs/dbraw/zinc/69/46/49/815694649.db2.gz KCPBKYHPFQGRDR-DTWKUNHWSA-N 1 3 277.315 -0.316 20 0 CBADHO CN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058532 815705843 /nfs/dbraw/zinc/70/58/43/815705843.db2.gz XGEQWXXAJQKIGC-SRVKXCTJSA-N 1 3 282.388 -0.955 20 0 CBADHO CN(C(=O)[C@H](N)CCCNC(N)=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058171 815705856 /nfs/dbraw/zinc/70/58/56/815705856.db2.gz PAFNLCLFOFLEMV-MXWKQRLJSA-N 1 3 285.392 -0.510 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]21 ZINC001161081444 815709013 /nfs/dbraw/zinc/70/90/13/815709013.db2.gz KHXZYZJDSHXFKM-BHPKHCPMSA-N 1 3 278.400 -0.510 20 0 CBADHO CN(CCO)C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161107175 815716188 /nfs/dbraw/zinc/71/61/88/815716188.db2.gz BIFLPVYZMHZNPW-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001161107175 815716192 /nfs/dbraw/zinc/71/61/92/815716192.db2.gz BIFLPVYZMHZNPW-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001161107175 815716195 /nfs/dbraw/zinc/71/61/95/815716195.db2.gz BIFLPVYZMHZNPW-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161131702 815718401 /nfs/dbraw/zinc/71/84/01/815718401.db2.gz SCQHZOLNNVEILH-OLZOCXBDSA-N 1 3 284.404 -0.088 20 0 CBADHO CO[C@@H](C)C1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161145735 815721836 /nfs/dbraw/zinc/72/18/36/815721836.db2.gz HUKPGJQDWLXEDZ-JOYOIKCWSA-N 1 3 255.362 -0.193 20 0 CBADHO NC[C@H](O)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208714 815727780 /nfs/dbraw/zinc/72/77/80/815727780.db2.gz WRKHMUPULMEYSX-LBPRGKRZSA-N 1 3 255.362 -0.456 20 0 CBADHO C[C@H]1CN(C(=O)CNC2CC[NH2+]CC2)C[C@H](C)N1 ZINC001161229782 815729976 /nfs/dbraw/zinc/72/99/76/815729976.db2.gz VNOJGISEDYMPOH-QWRGUYRKSA-N 1 3 254.378 -0.463 20 0 CBADHO C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[C@H](C)N1 ZINC001161229785 815730236 /nfs/dbraw/zinc/73/02/36/815730236.db2.gz VYBVRNAKEYJORO-KQXIARHKSA-N 1 3 252.362 -0.853 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161232130 815730414 /nfs/dbraw/zinc/73/04/14/815730414.db2.gz YILOGXFRLRTELC-ZPFDUUQYSA-N 1 3 284.404 -0.315 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234710 815730816 /nfs/dbraw/zinc/73/08/16/815730816.db2.gz GRMPXIGNRDCQJA-MNOVXSKESA-N 1 3 266.349 -0.492 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246905 815734268 /nfs/dbraw/zinc/73/42/68/815734268.db2.gz RVPGMBHBTZJFAP-XHVZSJERSA-N 1 3 288.367 -0.625 20 0 CBADHO NC[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161270028 815735161 /nfs/dbraw/zinc/73/51/61/815735161.db2.gz HEEVLDYHRHWSRF-STQMWFEESA-N 1 3 277.372 -0.552 20 0 CBADHO CC(C)(C)CN(C(=O)[C@@H](N)CN)C1CC[NH2+]CC1 ZINC001161258667 815735940 /nfs/dbraw/zinc/73/59/40/815735940.db2.gz OCWOMKICDIKRNC-NSHDSACASA-N 1 3 256.394 -0.101 20 0 CBADHO CCN(C(=O)[C@H]1CNCCN1C)[C@H]1CCC[NH2+]C1 ZINC001161340253 815745817 /nfs/dbraw/zinc/74/58/17/815745817.db2.gz QEBNFDYWDHTDAD-NWDGAFQWSA-N 1 3 254.378 -0.510 20 0 CBADHO CC(C)N(C(=O)[C@@H](N)Cc1cncn1C)[C@H]1CC[NH2+]C1 ZINC001161352110 815746374 /nfs/dbraw/zinc/74/63/74/815746374.db2.gz RBQAUNRVEMNFFD-AAEUAGOBSA-N 1 3 279.388 -0.111 20 0 CBADHO NC(C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377557 815748915 /nfs/dbraw/zinc/74/89/15/815748915.db2.gz HPXLRDRQVBNRAR-NXEZZACHSA-N 1 3 294.321 -0.100 20 0 CBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)C[C@@H]3COCCN3)C2)CC1 ZINC001161381662 815749172 /nfs/dbraw/zinc/74/91/72/815749172.db2.gz YUROKFYXXRQNSI-KGLIPLIRSA-N 1 3 296.415 -0.611 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412040 815751609 /nfs/dbraw/zinc/75/16/09/815751609.db2.gz FKLXWOSKLZKZHL-GMNPVEAJSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412040 815751614 /nfs/dbraw/zinc/75/16/14/815751614.db2.gz FKLXWOSKLZKZHL-GMNPVEAJSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)C1=O ZINC001161414335 815753124 /nfs/dbraw/zinc/75/31/24/815753124.db2.gz VCQYMFJEBGHDJJ-XQHKEYJVSA-N 1 3 294.399 -0.478 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]1C ZINC001161459606 815756984 /nfs/dbraw/zinc/75/69/84/815756984.db2.gz RHKNSFRNDRZZSF-GUBZILKMSA-N 1 3 257.334 -0.680 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C[C@@H]1C ZINC001161459194 815757075 /nfs/dbraw/zinc/75/70/75/815757075.db2.gz ACHHOXPPEVIVTF-ZMLRMANQSA-N 1 3 283.372 -0.419 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1C ZINC001161459684 815757438 /nfs/dbraw/zinc/75/74/38/815757438.db2.gz URLMNVGBNBAIEX-GUBZILKMSA-N 1 3 289.401 -0.727 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1C ZINC001161459887 815757698 /nfs/dbraw/zinc/75/76/98/815757698.db2.gz YPHQRGYDSJJZPP-OZTPJHRESA-N 1 3 295.383 -0.547 20 0 CBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1(N)CC1)CC2 ZINC001161481912 815758944 /nfs/dbraw/zinc/75/89/44/815758944.db2.gz ZLWLOJRDTQQMBP-BXKDBHETSA-N 1 3 267.329 -0.769 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@@H](N)Cc2cccc(O)c2)C[C@@H]1[NH3+] ZINC001161491531 815761184 /nfs/dbraw/zinc/76/11/84/815761184.db2.gz FJPZVUPGYYWCFW-RWMBFGLXSA-N 1 3 279.340 -0.554 20 0 CBADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001161489969 815761226 /nfs/dbraw/zinc/76/12/26/815761226.db2.gz SMZYQDBMRHYWFT-DGCLKSJQSA-N 1 3 265.361 -0.133 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@@H](N)C2Cc3ccccc3C2)C[C@@H]1[NH3+] ZINC001161492317 815761237 /nfs/dbraw/zinc/76/12/37/815761237.db2.gz NLSMWWFPJDVVBW-ZNMIVQPWSA-N 1 3 289.379 -0.087 20 0 CBADHO [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@@H](F)CCN2)CC12COC2 ZINC001161509861 815764444 /nfs/dbraw/zinc/76/44/44/815764444.db2.gz LSILJHRATLYYSI-GUBZILKMSA-N 1 3 257.309 -0.737 20 0 CBADHO CN[C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)[C@@H](C)OC(C)(C)C ZINC001161509830 815765229 /nfs/dbraw/zinc/76/52/29/815765229.db2.gz LHJXMOYDLSODAQ-WOPDTQHZSA-N 1 3 299.415 -0.036 20 0 CBADHO Cc1nc2c(o1)CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001161524617 815765985 /nfs/dbraw/zinc/76/59/85/815765985.db2.gz YATXBDOODZVGLI-VIFPVBQESA-N 1 3 284.385 -0.113 20 0 CBADHO Cc1nc2c(o1)CCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001161522530 815766689 /nfs/dbraw/zinc/76/66/89/815766689.db2.gz DLNQEZULSBCFNG-SECBINFHSA-N 1 3 252.318 -0.066 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530410 815768576 /nfs/dbraw/zinc/76/85/76/815768576.db2.gz YTYJUHBQJKHYGX-WYFGTUCQSA-N 1 3 270.377 -0.576 20 0 CBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161567661 815771943 /nfs/dbraw/zinc/77/19/43/815771943.db2.gz ZOTBOZDHADDPNP-GHMZBOCLSA-N 1 3 287.360 -0.767 20 0 CBADHO COCCOC1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161572515 815773593 /nfs/dbraw/zinc/77/35/93/815773593.db2.gz RISDCIOYDICLIP-GFCCVEGCSA-N 1 3 271.361 -0.813 20 0 CBADHO C[C@H]1CN(c2ccc(-n3cnc(CN)c3)nn2)CC[NH2+]1 ZINC001162296323 815811238 /nfs/dbraw/zinc/81/12/38/815811238.db2.gz FEZNFHAJGQWIJU-JTQLQIEISA-N 1 3 273.344 -0.081 20 0 CBADHO CNCc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncn1 ZINC001163234899 815865908 /nfs/dbraw/zinc/86/59/08/815865908.db2.gz CHTKOVVTHCIQCI-SKDRFNHKSA-N 1 3 262.317 -0.814 20 0 CBADHO CNCc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncn1 ZINC001163234893 815866735 /nfs/dbraw/zinc/86/67/35/815866735.db2.gz CHTKOVVTHCIQCI-BXKDBHETSA-N 1 3 262.317 -0.814 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3c(n2)CNCC3)N1 ZINC001163239991 815870401 /nfs/dbraw/zinc/87/04/01/815870401.db2.gz WWEXIHCGWYDLNV-FZMZJTMJSA-N 1 3 273.340 -0.283 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CCC[NH+](C)C)C1 ZINC001293072325 816500563 /nfs/dbraw/zinc/50/05/63/816500563.db2.gz XZZABBYSALLUCV-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCO ZINC001317407957 816974208 /nfs/dbraw/zinc/97/42/08/816974208.db2.gz ZUTXBIZZPSODCL-VXGBXAGGSA-N 1 3 257.378 -0.195 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCCO)C2CC2)C1 ZINC001317562370 817009937 /nfs/dbraw/zinc/00/99/37/817009937.db2.gz ZXLPNORLZCLKPG-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCN(CCCO)C2CC2)C1 ZINC001317562370 817009943 /nfs/dbraw/zinc/00/99/43/817009943.db2.gz ZXLPNORLZCLKPG-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001317574594 817017329 /nfs/dbraw/zinc/01/73/29/817017329.db2.gz ZCLUQMMPYBMXHH-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO CN(CCNCC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001317652513 817040084 /nfs/dbraw/zinc/04/00/84/817040084.db2.gz ASZBCVGDNXDREI-UHFFFAOYSA-N 1 3 294.399 -0.591 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCO ZINC001319271806 817183694 /nfs/dbraw/zinc/18/36/94/817183694.db2.gz MPZJZODCEHPQCW-VIFPVBQESA-N 1 3 254.334 -0.405 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]C[C@H](C)O ZINC001319272130 817184682 /nfs/dbraw/zinc/18/46/82/817184682.db2.gz QFRCUSKPNPUERM-UWVGGRQHSA-N 1 3 268.361 -0.017 20 0 CBADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001320550978 817354589 /nfs/dbraw/zinc/35/45/89/817354589.db2.gz YREVUFCEYBBIRA-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320843693 817403031 /nfs/dbraw/zinc/40/30/31/817403031.db2.gz IVJUCFVOHKHKAE-GFCCVEGCSA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001163822088 819855129 /nfs/dbraw/zinc/85/51/29/819855129.db2.gz RTASLVNNKIDFAS-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO Cc1cc(CN)nn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001163978248 819877565 /nfs/dbraw/zinc/87/75/65/819877565.db2.gz USMQXHCYJTVXJE-UHFFFAOYSA-N 1 3 273.344 -0.161 20 0 CBADHO Cn1nncc1CNCCCNC(=O)CC[NH+](C)C ZINC001165793876 819983518 /nfs/dbraw/zinc/98/35/18/819983518.db2.gz FKBPRRPCRULBOD-UHFFFAOYSA-N 1 3 268.365 -0.637 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001166004464 819988536 /nfs/dbraw/zinc/98/85/36/819988536.db2.gz OKXDSNOVFHWCNM-CQSZACIVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001166633677 820008192 /nfs/dbraw/zinc/00/81/92/820008192.db2.gz JIYMUSPCSDDUFO-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626608 820009178 /nfs/dbraw/zinc/00/91/78/820009178.db2.gz HRTSWBGPILZDMA-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166626988 820010264 /nfs/dbraw/zinc/01/02/64/820010264.db2.gz NMBJXBYWAKESAD-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678456 820017222 /nfs/dbraw/zinc/01/72/22/820017222.db2.gz VOBFFLPUJUYUHJ-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708640 820018545 /nfs/dbraw/zinc/01/85/45/820018545.db2.gz VLMIJRITPMPCQC-DGCLKSJQSA-N 1 3 294.403 -0.391 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708640 820018557 /nfs/dbraw/zinc/01/85/57/820018557.db2.gz VLMIJRITPMPCQC-DGCLKSJQSA-N 1 3 294.403 -0.391 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)N(C)C ZINC001166858551 820041679 /nfs/dbraw/zinc/04/16/79/820041679.db2.gz WBCNBYQIBJTKDE-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001167260707 820077850 /nfs/dbraw/zinc/07/78/50/820077850.db2.gz FROYMDRVTRBXNU-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001167627186 820108452 /nfs/dbraw/zinc/10/84/52/820108452.db2.gz LFGMWRPXSUNHIM-GFCCVEGCSA-N 1 3 284.404 -0.170 20 0 CBADHO COCCN(C)Cc1ccnc(-n2nnc(CC[NH3+])n2)c1 ZINC001167790137 820117327 /nfs/dbraw/zinc/11/73/27/820117327.db2.gz DWAXBFOYCTUILW-UHFFFAOYSA-N 1 3 291.359 -0.363 20 0 CBADHO C[NH+]1CCN(c2ccc(-n3nnnc3CN)nc2)CC1 ZINC001168924012 820193242 /nfs/dbraw/zinc/19/32/42/820193242.db2.gz SWADTSWXQCVZBA-UHFFFAOYSA-N 1 3 274.332 -0.732 20 0 CBADHO [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2c1CNCC2 ZINC001169067663 820203559 /nfs/dbraw/zinc/20/35/59/820203559.db2.gz VISURJBBGJTVNP-SECBINFHSA-N 1 3 274.328 -0.830 20 0 CBADHO NCc1cnnn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169309890 820226108 /nfs/dbraw/zinc/22/61/08/820226108.db2.gz OHYGYIUZHRTPTF-CYBMUJFWSA-N 1 3 298.350 -0.123 20 0 CBADHO NCc1cnnn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169309891 820226170 /nfs/dbraw/zinc/22/61/70/820226170.db2.gz OHYGYIUZHRTPTF-ZDUSSCGKSA-N 1 3 298.350 -0.123 20 0 CBADHO C[C@H](Nc1nccnc1N1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001170558029 820306007 /nfs/dbraw/zinc/30/60/07/820306007.db2.gz KEGAOWNEGIZQIR-RYUDHWBXSA-N 1 3 292.387 -0.325 20 0 CBADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc2c(n1)OCCNC2 ZINC001170772710 820316965 /nfs/dbraw/zinc/31/69/65/820316965.db2.gz DJLNBYJZBNIFRM-QWRGUYRKSA-N 1 3 264.329 -0.444 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001171762995 820371185 /nfs/dbraw/zinc/37/11/85/820371185.db2.gz PMLADUVWOZVMFB-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO COC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172118897 820382015 /nfs/dbraw/zinc/38/20/15/820382015.db2.gz UEHRVQJUPIFIOM-ZSBIGDGJSA-N 1 3 283.372 -0.120 20 0 CBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176070938 820438881 /nfs/dbraw/zinc/43/88/81/820438881.db2.gz ACVZULNZKFGRKX-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176070938 820438884 /nfs/dbraw/zinc/43/88/84/820438884.db2.gz ACVZULNZKFGRKX-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176972357 820484893 /nfs/dbraw/zinc/48/48/93/820484893.db2.gz XWFLWIATMXWCQH-UHFFFAOYSA-N 1 3 293.433 -0.533 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972403 820485298 /nfs/dbraw/zinc/48/52/98/820485298.db2.gz ZQEKNIMPSMDVEV-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176971503 820485611 /nfs/dbraw/zinc/48/56/11/820485611.db2.gz AJBDGZTZMQRKRP-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176986455 820486686 /nfs/dbraw/zinc/48/66/86/820486686.db2.gz OTWZNONLQJDHDP-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1CCCN1C ZINC001178360911 820578959 /nfs/dbraw/zinc/57/89/59/820578959.db2.gz SKGZEGCRJAJVQJ-IHRRRGAJSA-N 1 3 299.415 -0.332 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008747 820613602 /nfs/dbraw/zinc/61/36/02/820613602.db2.gz RBNSJCCMPWMOMM-RYUDHWBXSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008747 820613605 /nfs/dbraw/zinc/61/36/05/820613605.db2.gz RBNSJCCMPWMOMM-RYUDHWBXSA-N 1 3 267.373 -0.083 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C)N(C)C ZINC001178990373 820614451 /nfs/dbraw/zinc/61/44/51/820614451.db2.gz VFRYILCKNXFOCP-RWMBFGLXSA-N 1 3 298.431 -0.006 20 0 CBADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)CC[NH+](C)C ZINC001179472388 820630611 /nfs/dbraw/zinc/63/06/11/820630611.db2.gz LDXYHQQVRGMNRT-AAEUAGOBSA-N 1 3 294.403 -0.154 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534381 820632241 /nfs/dbraw/zinc/63/22/41/820632241.db2.gz JWQBHCFAGGDWSF-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001179856687 820644163 /nfs/dbraw/zinc/64/41/63/820644163.db2.gz HHWGKLDHFHDIJR-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001179856687 820644169 /nfs/dbraw/zinc/64/41/69/820644169.db2.gz HHWGKLDHFHDIJR-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001179852149 820644205 /nfs/dbraw/zinc/64/42/05/820644205.db2.gz AQCFIFAVAVDEKK-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001179852149 820644210 /nfs/dbraw/zinc/64/42/10/820644210.db2.gz AQCFIFAVAVDEKK-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180222507 820654876 /nfs/dbraw/zinc/65/48/76/820654876.db2.gz PIDPGKPXOXRUIG-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)N1CCCC1 ZINC001180586997 820696924 /nfs/dbraw/zinc/69/69/24/820696924.db2.gz WWCATSQUJFRMJT-JTQLQIEISA-N 1 3 288.352 -0.865 20 0 CBADHO CN1CCC(C)(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001181980593 820844851 /nfs/dbraw/zinc/84/48/51/820844851.db2.gz MOUWOXBDNVSMPX-UHFFFAOYSA-N 1 3 277.390 -0.535 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)C1(O)CCN(C)CC1 ZINC001182033181 820855633 /nfs/dbraw/zinc/85/56/33/820855633.db2.gz NULBELXJAXUVHI-UHFFFAOYSA-N 1 3 279.344 -0.773 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182391305 820912772 /nfs/dbraw/zinc/91/27/72/820912772.db2.gz NHQYHKWDTHFYIG-RKDXNWHRSA-N 1 3 269.349 -0.828 20 0 CBADHO [NH3+]CC1(NC(=O)[C@@H]2CCCN2CC2CC2)COC1 ZINC001182559659 820927860 /nfs/dbraw/zinc/92/78/60/820927860.db2.gz VLTLFQGDSGDNKY-NSHDSACASA-N 1 3 253.346 -0.295 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)CC[N@@H+]1C ZINC001182693123 820937521 /nfs/dbraw/zinc/93/75/21/820937521.db2.gz SNGWXAYFFAHZQN-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)CC[N@H+]1C ZINC001182693123 820937526 /nfs/dbraw/zinc/93/75/26/820937526.db2.gz SNGWXAYFFAHZQN-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183228401 820982932 /nfs/dbraw/zinc/98/29/32/820982932.db2.gz HJYVNVHNYMJBFL-IUODEOHRSA-N 1 3 298.431 -0.112 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229545 820982979 /nfs/dbraw/zinc/98/29/79/820982979.db2.gz MDJCLNHAMYDSSQ-CHWSQXEVSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229224 820983667 /nfs/dbraw/zinc/98/36/67/820983667.db2.gz GGBQUVDROMXJBK-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](C(C)C)N(C)C ZINC001183364834 820991321 /nfs/dbraw/zinc/99/13/21/820991321.db2.gz ATDGLFCEAKOMPM-GFCCVEGCSA-N 1 3 273.377 -0.077 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450301 820994787 /nfs/dbraw/zinc/99/47/87/820994787.db2.gz NOONMRGJOBOFRY-UPJWGTAASA-N 1 3 298.431 -0.102 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183509471 820996852 /nfs/dbraw/zinc/99/68/52/820996852.db2.gz HXWBHSDLQHQRBX-IUODEOHRSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)N(C)C ZINC001183582350 821007628 /nfs/dbraw/zinc/00/76/28/821007628.db2.gz VRUDFASRFSJKBH-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647049 821012760 /nfs/dbraw/zinc/01/27/60/821012760.db2.gz BVBCKSRXKLGERM-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184859194 821089168 /nfs/dbraw/zinc/08/91/68/821089168.db2.gz XVXLSZJCAOVHPQ-IJLUTSLNSA-N 1 3 282.388 -0.594 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185348061 821124691 /nfs/dbraw/zinc/12/46/91/821124691.db2.gz NPFAHUFKRKMGBO-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185400726 821126167 /nfs/dbraw/zinc/12/61/67/821126167.db2.gz GEOXVOGNBDBABJ-NXEZZACHSA-N 1 3 256.350 -0.998 20 0 CBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185400589 821126895 /nfs/dbraw/zinc/12/68/95/821126895.db2.gz DPHIJNTWJURYSX-VXGBXAGGSA-N 1 3 282.388 -0.641 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001185416118 821129109 /nfs/dbraw/zinc/12/91/09/821129109.db2.gz NZNYATGJFHNJNE-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416614 821129317 /nfs/dbraw/zinc/12/93/17/821129317.db2.gz YTLSLXVLVSVLKH-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446380 821130913 /nfs/dbraw/zinc/13/09/13/821130913.db2.gz KNNDLJKFUBMXCX-TZMCWYRMSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+](CC)CC ZINC001185609569 821135052 /nfs/dbraw/zinc/13/50/52/821135052.db2.gz KWGBPWCSRGTKEO-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185918992 821144565 /nfs/dbraw/zinc/14/45/65/821144565.db2.gz QTOMYNLJMKONCW-SNVBAGLBSA-N 1 3 252.318 -0.211 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001185924563 821146300 /nfs/dbraw/zinc/14/63/00/821146300.db2.gz BZUWQZWZTBWDEG-SNVBAGLBSA-N 1 3 252.318 -0.475 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001186369648 821181105 /nfs/dbraw/zinc/18/11/05/821181105.db2.gz FWJDHGVJCLOZDE-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001186369648 821181109 /nfs/dbraw/zinc/18/11/09/821181109.db2.gz FWJDHGVJCLOZDE-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001186452864 821182286 /nfs/dbraw/zinc/18/22/86/821182286.db2.gz UHHNNGQSEPCLPF-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001187230809 821220626 /nfs/dbraw/zinc/22/06/26/821220626.db2.gz DQEQQSCRQBZGQL-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187299211 822265205 /nfs/dbraw/zinc/26/52/05/822265205.db2.gz WMABOOHFNGXION-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187299211 822265210 /nfs/dbraw/zinc/26/52/10/822265210.db2.gz WMABOOHFNGXION-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001187322666 822267114 /nfs/dbraw/zinc/26/71/14/822267114.db2.gz RBFQWTWXCCDJTA-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001187322700 822267468 /nfs/dbraw/zinc/26/74/68/822267468.db2.gz SPXGDFAPJSFXHS-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346477 822329568 /nfs/dbraw/zinc/32/95/68/822329568.db2.gz QFPGZPFDPOIPII-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283065922 828493934 /nfs/dbraw/zinc/49/39/34/828493934.db2.gz HYSAFKYUHLTKRK-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283065922 828493937 /nfs/dbraw/zinc/49/39/37/828493937.db2.gz HYSAFKYUHLTKRK-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001188971599 823728399 /nfs/dbraw/zinc/72/83/99/823728399.db2.gz XROCROGFZZHOER-QWHCGFSZSA-N 1 3 281.400 -0.147 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001189401325 823753471 /nfs/dbraw/zinc/75/34/71/823753471.db2.gz VBRQEJXOXRVJBA-STQMWFEESA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001189401325 823753478 /nfs/dbraw/zinc/75/34/78/823753478.db2.gz VBRQEJXOXRVJBA-STQMWFEESA-N 1 3 269.389 -0.004 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(=O)[nH]c1 ZINC001191182999 823879422 /nfs/dbraw/zinc/87/94/22/823879422.db2.gz HBHPIESYAAAMPZ-UHFFFAOYSA-N 1 3 252.278 -0.743 20 0 CBADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728471 823918684 /nfs/dbraw/zinc/91/86/84/823918684.db2.gz ZLGGOPJJKIVEHO-BFHYXJOUSA-N 1 3 299.415 -0.379 20 0 CBADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728471 823918689 /nfs/dbraw/zinc/91/86/89/823918689.db2.gz ZLGGOPJJKIVEHO-BFHYXJOUSA-N 1 3 299.415 -0.379 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccn[nH]c1=O ZINC001192397859 823966453 /nfs/dbraw/zinc/96/64/53/823966453.db2.gz DWBFKKPAGKGFDF-UHFFFAOYSA-N 1 3 252.278 -0.743 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(CO)cn1 ZINC001193322228 824022228 /nfs/dbraw/zinc/02/22/28/824022228.db2.gz PYEQTDUSDYYORG-UHFFFAOYSA-N 1 3 265.317 -0.352 20 0 CBADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039199 824055901 /nfs/dbraw/zinc/05/59/01/824055901.db2.gz LJXQLUOZTPYNNN-KGLIPLIRSA-N 1 3 299.415 -0.378 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039199 824055910 /nfs/dbraw/zinc/05/59/10/824055910.db2.gz LJXQLUOZTPYNNN-KGLIPLIRSA-N 1 3 299.415 -0.378 20 0 CBADHO COc1ncncc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001196544724 824164770 /nfs/dbraw/zinc/16/47/70/824164770.db2.gz OHIMSRSBHMZYTA-UHFFFAOYSA-N 1 3 266.305 -0.440 20 0 CBADHO C[C@H](O)CN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832005 824204391 /nfs/dbraw/zinc/20/43/91/824204391.db2.gz GTTZPUZIUCMDRB-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097400 824218933 /nfs/dbraw/zinc/21/89/33/824218933.db2.gz ACDNCQCWLOTEJV-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097400 824218940 /nfs/dbraw/zinc/21/89/40/824218940.db2.gz ACDNCQCWLOTEJV-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO CC(C)OCCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671700 824235796 /nfs/dbraw/zinc/23/57/96/824235796.db2.gz JKRFZSLYFIZPLA-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787737 824287770 /nfs/dbraw/zinc/28/77/70/824287770.db2.gz DAGJCOSOJGTXRQ-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788751 824289338 /nfs/dbraw/zinc/28/93/38/824289338.db2.gz YZSSBQPCNQZIQV-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CCC1 ZINC001200688316 824324501 /nfs/dbraw/zinc/32/45/01/824324501.db2.gz NGRKYPQETQZPCY-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001201240322 824329813 /nfs/dbraw/zinc/32/98/13/824329813.db2.gz SKRGMJYHOMNZCP-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001201411506 824332637 /nfs/dbraw/zinc/33/26/37/824332637.db2.gz SDNGSJLBBCWVNA-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCCO)CC1 ZINC001202667374 824350331 /nfs/dbraw/zinc/35/03/31/824350331.db2.gz IZAYLDYPBYUSTE-UHFFFAOYSA-N 1 3 266.345 -0.085 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001202990915 824356038 /nfs/dbraw/zinc/35/60/38/824356038.db2.gz FVCKTDLWMLBVFR-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO [NH3+]C[C@]1(O)CCCN(CC2C(=O)N=CNC2=O)CC1 ZINC001205230702 824376544 /nfs/dbraw/zinc/37/65/44/824376544.db2.gz UEEJWSXARNDIEI-LBPRGKRZSA-N 1 3 268.317 -0.437 20 0 CBADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946056 824390869 /nfs/dbraw/zinc/39/08/69/824390869.db2.gz HUFOBWRHLKVROA-UKKRHICBSA-N 1 3 263.332 -0.129 20 0 CBADHO O=C1COC[C@@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC001207439648 824427569 /nfs/dbraw/zinc/42/75/69/824427569.db2.gz XAUOPOIJAZWWFJ-LBPRGKRZSA-N 1 3 253.346 -0.471 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688010 824433809 /nfs/dbraw/zinc/43/38/09/824433809.db2.gz KYECMCRLBMCKKT-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC001209303036 824468632 /nfs/dbraw/zinc/46/86/32/824468632.db2.gz JEIXQDVYZYLZGJ-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC001209303035 824468694 /nfs/dbraw/zinc/46/86/94/824468694.db2.gz JEIXQDVYZYLZGJ-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420984 824470740 /nfs/dbraw/zinc/47/07/40/824470740.db2.gz YGRDQHDOQPOOGN-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420985 824471220 /nfs/dbraw/zinc/47/12/20/824471220.db2.gz YGRDQHDOQPOOGN-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001209444240 824471277 /nfs/dbraw/zinc/47/12/77/824471277.db2.gz DZOMJNYYTIHWFQ-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214335648 824528052 /nfs/dbraw/zinc/52/80/52/824528052.db2.gz FGOYQPNFTCZKKR-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344206 824529995 /nfs/dbraw/zinc/52/99/95/824529995.db2.gz OGHGZCJKDAMNFV-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215423293 824541650 /nfs/dbraw/zinc/54/16/50/824541650.db2.gz GBSJVEBKHYCLST-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001215456420 824541859 /nfs/dbraw/zinc/54/18/59/824541859.db2.gz UJRWZODNXUYFBF-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001215458726 824541928 /nfs/dbraw/zinc/54/19/28/824541928.db2.gz HIDCCCONDSAWIR-OUAUKWLOSA-N 1 3 270.377 -0.752 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001215994324 824544861 /nfs/dbraw/zinc/54/48/61/824544861.db2.gz ZZUHUJVVONDCQX-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001216851643 824550953 /nfs/dbraw/zinc/55/09/53/824550953.db2.gz DKRZZWINOWWERK-IJLUTSLNSA-N 1 3 284.404 -0.363 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001216851661 824551136 /nfs/dbraw/zinc/55/11/36/824551136.db2.gz FOCLYFCDLLBQPX-FRRDWIJNSA-N 1 3 296.415 -0.348 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@@H]2C[NH2+]CCCO2)cc1 ZINC001218301285 824566455 /nfs/dbraw/zinc/56/64/55/824566455.db2.gz CGEQBWYARYGVJI-KBPBESRZSA-N 1 3 293.367 -0.201 20 0 CBADHO Cn1cnc(NC(=O)[C@@H](N)CCCC[NH3+])c2ncnc1-2 ZINC001218493948 824568966 /nfs/dbraw/zinc/56/89/66/824568966.db2.gz AIGDXGWOTJBTRX-QMMMGPOBSA-N 1 3 277.332 -0.290 20 0 CBADHO Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cnn1C ZINC001218505123 824573758 /nfs/dbraw/zinc/57/37/58/824573758.db2.gz NDWBCVMNJSLWCE-ZWNOBZJWSA-N 1 3 263.345 -0.134 20 0 CBADHO COc1nn(C)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218505196 824574250 /nfs/dbraw/zinc/57/42/50/824574250.db2.gz PEVDQQRHBFOLBG-SNVBAGLBSA-N 1 3 267.333 -0.306 20 0 CBADHO Cn1c(NC(=O)[C@@H](N)CCC[NH3+])nnc1C(F)(F)F ZINC001218514496 824579362 /nfs/dbraw/zinc/57/93/62/824579362.db2.gz AFWIVDOQEVQRDH-YFKPBYRVSA-N 1 3 280.254 -0.161 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515459 824579441 /nfs/dbraw/zinc/57/94/41/824579441.db2.gz GLROVKXZKFMUBO-LURJTMIESA-N 1 3 264.293 -0.857 20 0 CBADHO COc1nc(Cl)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218518654 824580110 /nfs/dbraw/zinc/58/01/10/824580110.db2.gz ONDQVPRGFVXVSE-SSDOTTSWSA-N 1 3 297.746 -0.114 20 0 CBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1O ZINC001218539599 824586682 /nfs/dbraw/zinc/58/66/82/824586682.db2.gz MFGYCZKZPCHEBP-SNVBAGLBSA-N 1 3 279.344 -0.524 20 0 CBADHO [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1[O-] ZINC001218539599 824586687 /nfs/dbraw/zinc/58/66/87/824586687.db2.gz MFGYCZKZPCHEBP-SNVBAGLBSA-N 1 3 279.344 -0.524 20 0 CBADHO COc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ncn1 ZINC001218536561 824587798 /nfs/dbraw/zinc/58/77/98/824587798.db2.gz WJPLVOWGODEOBF-QMMMGPOBSA-N 1 3 263.301 -0.767 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551591 824589546 /nfs/dbraw/zinc/58/95/46/824589546.db2.gz QHHUDTIQHSCVIZ-LBPRGKRZSA-N 1 3 293.371 -0.077 20 0 CBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)[N-]c1onc(C)c1C(N)=O ZINC001218551767 824589668 /nfs/dbraw/zinc/58/96/68/824589668.db2.gz UWJAIHSTHMHCKF-QMMMGPOBSA-N 1 3 283.332 -0.263 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218557402 824590472 /nfs/dbraw/zinc/59/04/72/824590472.db2.gz QXYRRFXCYOUNCL-VIFPVBQESA-N 1 3 287.327 -0.889 20 0 CBADHO N[C@@H](C(=O)Nc1ncnn2cccc12)C1CC[NH2+]CC1 ZINC001218564939 824593859 /nfs/dbraw/zinc/59/38/59/824593859.db2.gz MVEVOZYEWRTTQG-LLVKDONJSA-N 1 3 274.328 -0.583 20 0 CBADHO COc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)no1 ZINC001218574303 824597566 /nfs/dbraw/zinc/59/75/66/824597566.db2.gz QMSRGVVTJDMKHV-ZETCQYMHSA-N 1 3 252.274 -0.569 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)ncn1 ZINC001218609576 824603747 /nfs/dbraw/zinc/60/37/47/824603747.db2.gz HWYCBKHOEAMPQT-SECBINFHSA-N 1 3 290.327 -0.818 20 0 CBADHO Nc1cnc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001218623158 824605690 /nfs/dbraw/zinc/60/56/90/824605690.db2.gz AUJFKYJMOWMMTP-JTQLQIEISA-N 1 3 250.306 -0.676 20 0 CBADHO CN(C(=O)[C@H](N)C1CC[NH2+]CC1)c1nccnc1N ZINC001218623802 824607753 /nfs/dbraw/zinc/60/77/53/824607753.db2.gz SDDWZRQKRRBTDS-SECBINFHSA-N 1 3 264.333 -0.652 20 0 CBADHO COc1nccc(N)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218634492 824610642 /nfs/dbraw/zinc/61/06/42/824610642.db2.gz UJFSIQWUEOHMSS-QMMMGPOBSA-N 1 3 277.328 -0.580 20 0 CBADHO N[C@@H](CC(F)F)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641778 824612381 /nfs/dbraw/zinc/61/23/81/824612381.db2.gz UWCPAKKKGPVRFY-QMMMGPOBSA-N 1 3 259.260 -0.052 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218639584 824612917 /nfs/dbraw/zinc/61/29/17/824612917.db2.gz ICLDYWPVQPMHAQ-SECBINFHSA-N 1 3 295.343 -0.230 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640164 824612939 /nfs/dbraw/zinc/61/29/39/824612939.db2.gz KFAIHEJSJZRVJU-NSHDSACASA-N 1 3 275.316 -0.741 20 0 CBADHO CNc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218654141 824616818 /nfs/dbraw/zinc/61/68/18/824616818.db2.gz FCMIQERMABGJEL-SNVBAGLBSA-N 1 3 261.329 -0.129 20 0 CBADHO CCOC(=O)c1ncncc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218679721 824620844 /nfs/dbraw/zinc/62/08/44/824620844.db2.gz VSLWHRFNOXXQLQ-QMMMGPOBSA-N 1 3 281.316 -0.342 20 0 CBADHO Nc1cnc(Cl)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218674136 824621097 /nfs/dbraw/zinc/62/10/97/824621097.db2.gz RTDQWDKAZZSFBQ-LURJTMIESA-N 1 3 282.735 -0.540 20 0 CBADHO CCOc1cc(N)n(C(=O)[C@@H](N)C2CC[NH2+]CC2)c(=N)n1 ZINC001218681433 824622132 /nfs/dbraw/zinc/62/21/32/824622132.db2.gz UHDKUNAMOPUOCO-NSHDSACASA-N 1 3 294.359 -0.689 20 0 CBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@H](N)CCC[NH3+])n1 ZINC001218699323 824623932 /nfs/dbraw/zinc/62/39/32/824623932.db2.gz HRRIKROHHILNDG-SSDOTTSWSA-N 1 3 263.305 -0.334 20 0 CBADHO [NH3+]CCCNCC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218711587 824627798 /nfs/dbraw/zinc/62/77/98/824627798.db2.gz LEECJKHVUORDFW-SECBINFHSA-N 1 3 267.333 -0.024 20 0 CBADHO O=C(CN1CC[NH2+]CC1)Nc1cc([C@H]2CCCN2)no1 ZINC001218710452 824627416 /nfs/dbraw/zinc/62/74/16/824627416.db2.gz FWHHALRZUQWTGQ-SNVBAGLBSA-N 1 3 279.344 -0.057 20 0 CBADHO COC[C@H](C)Oc1cc(NC(=O)[C@H](N)CCC[NH3+])[nH]n1 ZINC001218718005 824627656 /nfs/dbraw/zinc/62/76/56/824627656.db2.gz BKFIKMGTXHOTOF-DTWKUNHWSA-N 1 3 285.348 -0.172 20 0 CBADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CNCCN1 ZINC001218728006 824629045 /nfs/dbraw/zinc/62/90/45/824629045.db2.gz QRTWSZSNEYSUTD-NEPJUHHUSA-N 1 3 291.355 -0.678 20 0 CBADHO Cc1cnn(CCO)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218749908 824632757 /nfs/dbraw/zinc/63/27/57/824632757.db2.gz LYYKYEKFJQIXOI-LLVKDONJSA-N 1 3 281.360 -0.551 20 0 CBADHO COc1nc(NC(=O)[C@@H](N)CCC[NH3+])c(C)c(OC)n1 ZINC001218767479 824636391 /nfs/dbraw/zinc/63/63/91/824636391.db2.gz AJJZSMCDDYKARH-QMMMGPOBSA-N 1 3 283.332 -0.193 20 0 CBADHO Cc1cncnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218792761 824638660 /nfs/dbraw/zinc/63/86/60/824638660.db2.gz PBDFXPGTDLZIPH-ZWNOBZJWSA-N 1 3 261.329 -0.077 20 0 CBADHO O=C(Nc1c[nH]ccc1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218795795 824640174 /nfs/dbraw/zinc/64/01/74/824640174.db2.gz MPJAHFYRCABLIL-NOZJJQNGSA-N 1 3 262.313 -0.488 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935166 824649044 /nfs/dbraw/zinc/64/90/44/824649044.db2.gz QVGFQFAQNPRONQ-GFCCVEGCSA-N 1 3 276.340 -0.023 20 0 CBADHO NC(=O)Cc1cccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218953933 824649549 /nfs/dbraw/zinc/64/95/49/824649549.db2.gz HAXYLDFRBSJXOJ-GFCCVEGCSA-N 1 3 288.351 -0.538 20 0 CBADHO NC(=O)Cc1cccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218953940 824649554 /nfs/dbraw/zinc/64/95/54/824649554.db2.gz HAXYLDFRBSJXOJ-LBPRGKRZSA-N 1 3 288.351 -0.538 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219437713 824709823 /nfs/dbraw/zinc/70/98/23/824709823.db2.gz DDTRUUGAYMVKED-VIFPVBQESA-N 1 3 275.312 -0.072 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219437708 824710153 /nfs/dbraw/zinc/71/01/53/824710153.db2.gz DDTRUUGAYMVKED-SECBINFHSA-N 1 3 275.312 -0.072 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001219554097 824726757 /nfs/dbraw/zinc/72/67/57/824726757.db2.gz WDMARRANECBLNB-SNVBAGLBSA-N 1 3 273.381 -0.780 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCn1ccnn1 ZINC001219566076 824733083 /nfs/dbraw/zinc/73/30/83/824733083.db2.gz SCJBNYYMDKHSCX-NSHDSACASA-N 1 3 268.365 -0.547 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@H](N)Cc2c[nH]cn2)C[NH2+]1 ZINC001219579651 824734126 /nfs/dbraw/zinc/73/41/26/824734126.db2.gz CGFOEJUQSLQBAH-ATZCPNFKSA-N 1 3 251.334 -0.464 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589505 824737307 /nfs/dbraw/zinc/73/73/07/824737307.db2.gz SVMPXPIZCNSTAD-DRZSPHRISA-N 1 3 284.404 -0.123 20 0 CBADHO Cc1cnc(CCNC(=O)[C@@H](N)CCC[NH3+])nc1 ZINC001219600933 824740618 /nfs/dbraw/zinc/74/06/18/824740618.db2.gz JDTOMPFRQDAKHO-JTQLQIEISA-N 1 3 251.334 -0.490 20 0 CBADHO Cc1cnc(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)nc1 ZINC001219600707 824741637 /nfs/dbraw/zinc/74/16/37/824741637.db2.gz DGCLZIFAALVIRU-CYBMUJFWSA-N 1 3 277.372 -0.229 20 0 CBADHO Cc1cc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)no1 ZINC001219604324 824849735 /nfs/dbraw/zinc/84/97/35/824849735.db2.gz MQGYKPSOTDGYIR-SNVBAGLBSA-N 1 3 250.302 -0.592 20 0 CBADHO O=C(NC[C@H](O)c1ccco1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219604358 824851525 /nfs/dbraw/zinc/85/15/25/824851525.db2.gz NEOWAOGXYVXIOS-UWVGGRQHSA-N 1 3 265.313 -0.762 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608090 824852145 /nfs/dbraw/zinc/85/21/45/824852145.db2.gz OOMGWLOMNBQYDF-WCBMZHEXSA-N 1 3 291.277 -0.310 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCCN1CCCCO1 ZINC001219632422 824866631 /nfs/dbraw/zinc/86/66/31/824866631.db2.gz MQVZHCTXCWSGFP-NSHDSACASA-N 1 3 258.366 -0.414 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001219638888 824868823 /nfs/dbraw/zinc/86/88/23/824868823.db2.gz RIPOGFZQGXMQEV-FOGDFJRCSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001219638888 824868834 /nfs/dbraw/zinc/86/88/34/824868834.db2.gz RIPOGFZQGXMQEV-FOGDFJRCSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)CCN2CCN(C)CC2)C1 ZINC001219641606 824869756 /nfs/dbraw/zinc/86/97/56/824869756.db2.gz JIIRFYUZFORWTB-UONOGXRCSA-N 1 3 282.432 -0.014 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219645711 824871463 /nfs/dbraw/zinc/87/14/63/824871463.db2.gz MIENAHHZDRWJLC-AVGNSLFASA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCC3(CNC3)O2)C1 ZINC001219642786 824872027 /nfs/dbraw/zinc/87/20/27/824872027.db2.gz XTEAFEGDZMISEY-SRVKXCTJSA-N 1 3 267.373 -0.131 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219650981 824872739 /nfs/dbraw/zinc/87/27/39/824872739.db2.gz SEXOSVBUICOMMT-CZXHOFHRSA-N 1 3 298.431 -0.162 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219650984 824873228 /nfs/dbraw/zinc/87/32/28/824873228.db2.gz SEXOSVBUICOMMT-UHXUPSOCSA-N 1 3 298.431 -0.162 20 0 CBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H](N)CCC[NH3+] ZINC001219673181 824877064 /nfs/dbraw/zinc/87/70/64/824877064.db2.gz FXVHVSZIRHKRMP-QMMMGPOBSA-N 1 3 283.332 -0.731 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1(C(N)=O)CC1 ZINC001219682292 824878010 /nfs/dbraw/zinc/87/80/10/824878010.db2.gz JLIZPJKSNRAVDZ-VIFPVBQESA-N 1 3 256.350 -0.820 20 0 CBADHO CN1CCO[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219695774 824881405 /nfs/dbraw/zinc/88/14/05/824881405.db2.gz YAVXKSMSMADVPK-QWHCGFSZSA-N 1 3 296.415 -0.693 20 0 CBADHO CN[C@@H](COCc1ccccc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720706 824886104 /nfs/dbraw/zinc/88/61/04/824886104.db2.gz PQHJVYLBUIDBJT-MJBXVCDLSA-N 1 3 293.367 -0.367 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769150 824891810 /nfs/dbraw/zinc/89/18/10/824891810.db2.gz SZSPKNZKMJVJAJ-KYVFDEKUSA-N 1 3 279.381 -0.710 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773106 824893697 /nfs/dbraw/zinc/89/36/97/824893697.db2.gz LSJLGICTFNTLBC-LLVKDONJSA-N 1 3 297.403 -0.589 20 0 CBADHO NC(C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C(F)(F)F ZINC001219813612 824896912 /nfs/dbraw/zinc/89/69/12/824896912.db2.gz WZFAMRIITDURKA-OOZYFLPDSA-N 1 3 267.251 -0.772 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831799 824900097 /nfs/dbraw/zinc/90/00/97/824900097.db2.gz YSTBBJQXLHTEIO-NDBYEHHHSA-N 1 3 267.373 -0.003 20 0 CBADHO N[C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCCCC1 ZINC001219854001 824902580 /nfs/dbraw/zinc/90/25/80/824902580.db2.gz AVXKMSDKBQEOKW-XQHKEYJVSA-N 1 3 267.373 -0.003 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865482 824903935 /nfs/dbraw/zinc/90/39/35/824903935.db2.gz PSENJANDQHPFQI-RWMBFGLXSA-N 1 3 263.341 -0.173 20 0 CBADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])OCC2 ZINC001219885148 824909531 /nfs/dbraw/zinc/90/95/31/824909531.db2.gz IRFGFXPRCRMGJW-WDEREUQCSA-N 1 3 281.360 -0.784 20 0 CBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219890664 824910629 /nfs/dbraw/zinc/91/06/29/824910629.db2.gz JMZVRHYNDRUZFK-GVXVVHGQSA-N 1 3 268.361 -0.820 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219917968 824915055 /nfs/dbraw/zinc/91/50/55/824915055.db2.gz ACQSEHOAXZAZRC-YPMHNXCESA-N 1 3 281.356 -0.391 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219924931 824916745 /nfs/dbraw/zinc/91/67/45/824916745.db2.gz CAUJXAGEKNEKRT-STQMWFEESA-N 1 3 287.363 -0.085 20 0 CBADHO O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219945249 824918843 /nfs/dbraw/zinc/91/88/43/824918843.db2.gz FQHRFXBLEMRYTN-GHMZBOCLSA-N 1 3 299.396 -0.713 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945421 824921102 /nfs/dbraw/zinc/92/11/02/824921102.db2.gz JOLSWHKEKFHLGP-MNOVXSKESA-N 1 3 289.401 -0.528 20 0 CBADHO O=C(NC[C@@H]1CCC(=O)N1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219959145 824922878 /nfs/dbraw/zinc/92/28/78/824922878.db2.gz JYZAHDGHNBJTES-WDEREUQCSA-N 1 3 280.372 -0.745 20 0 CBADHO O=C(NC[C@@H]1CCC(=O)N1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219959145 824922884 /nfs/dbraw/zinc/92/28/84/824922884.db2.gz JYZAHDGHNBJTES-WDEREUQCSA-N 1 3 280.372 -0.745 20 0 CBADHO N[C@H](C(=O)NCCn1cccc1)C1CC[NH2+]CC1 ZINC001219969840 824926335 /nfs/dbraw/zinc/92/63/35/824926335.db2.gz OHNHFBNGNJVLFK-LBPRGKRZSA-N 1 3 250.346 -0.069 20 0 CBADHO O=C(NC[C@H]1CCCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219978929 824928272 /nfs/dbraw/zinc/92/82/72/824928272.db2.gz VNLHZDFBKJQBPQ-MNOVXSKESA-N 1 3 253.346 -0.519 20 0 CBADHO N[C@H](C(=O)NC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979114 824929603 /nfs/dbraw/zinc/92/96/03/824929603.db2.gz ZWBROQBYRYOJPA-NEPJUHHUSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(NCCCc1ccncc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219980684 824929673 /nfs/dbraw/zinc/92/96/73/824929673.db2.gz MTQJLYIEXJATPU-CYBMUJFWSA-N 1 3 274.368 -0.061 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cncnc1 ZINC001220007305 824933171 /nfs/dbraw/zinc/93/31/71/824933171.db2.gz LGAUZVVFLHHIFU-VIFPVBQESA-N 1 3 255.347 -0.888 20 0 CBADHO O=C(NCc1ccncn1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220005179 824933446 /nfs/dbraw/zinc/93/34/46/824933446.db2.gz SWXHXOYDWISQMS-LBPRGKRZSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NCc1ccncn1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220005179 824933457 /nfs/dbraw/zinc/93/34/57/824933457.db2.gz SWXHXOYDWISQMS-LBPRGKRZSA-N 1 3 275.356 -0.033 20 0 CBADHO N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220020518 824936391 /nfs/dbraw/zinc/93/63/91/824936391.db2.gz LLFNBBGTGFJEAH-CBAPKCEASA-N 1 3 253.281 -0.448 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC(C)(C)C(N)=O ZINC001220034383 824939356 /nfs/dbraw/zinc/93/93/56/824939356.db2.gz XUKOVIUEPGGLJB-JTQLQIEISA-N 1 3 272.393 -0.327 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)NCc2n[nH]c3ccccc23)C1 ZINC001220047129 824943206 /nfs/dbraw/zinc/94/32/06/824943206.db2.gz RKJYSQIIOOEANZ-KCJUWKMLSA-N 1 3 259.313 -0.132 20 0 CBADHO COC(=O)CCCCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220047933 824943749 /nfs/dbraw/zinc/94/37/49/824943749.db2.gz DTQCMOZHECSLEH-NSHDSACASA-N 1 3 283.372 -0.355 20 0 CBADHO CCCCOC(=O)[C@H](C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220049978 824945337 /nfs/dbraw/zinc/94/53/37/824945337.db2.gz WLONLKGBRCOQFW-UWVGGRQHSA-N 1 3 291.417 -0.146 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220063878 824948107 /nfs/dbraw/zinc/94/81/07/824948107.db2.gz HVIVIISDEBCRJG-QMTHXVAHSA-N 1 3 283.372 -0.357 20 0 CBADHO C[NH2+]CCCCNC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220077633 824951119 /nfs/dbraw/zinc/95/11/19/824951119.db2.gz QOSJMIIREVVYLV-MCIGGMRASA-N 1 3 257.378 -0.019 20 0 CBADHO CCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220101541 824955185 /nfs/dbraw/zinc/95/51/85/824955185.db2.gz RYXALVILCRZSKV-DGCLKSJQSA-N 1 3 255.362 -0.272 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113531 824959355 /nfs/dbraw/zinc/95/93/55/824959355.db2.gz WRDOVTJDKPFAMU-RYUDHWBXSA-N 1 3 299.396 -0.439 20 0 CBADHO O=C(NC1CC(CO)(CO)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220151725 824968822 /nfs/dbraw/zinc/96/88/22/824968822.db2.gz FFEXHANJMKYKFT-LBPRGKRZSA-N 1 3 297.399 -0.890 20 0 CBADHO O=C(NC1CC(CO)(CO)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220151725 824968828 /nfs/dbraw/zinc/96/88/28/824968828.db2.gz FFEXHANJMKYKFT-LBPRGKRZSA-N 1 3 297.399 -0.890 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)COC1(C)C ZINC001220151683 824969718 /nfs/dbraw/zinc/96/97/18/824969718.db2.gz CHIUAFNZBRCAFO-MMWGEVLESA-N 1 3 298.387 -0.849 20 0 CBADHO N[C@H](C(=O)NCc1cc[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001220148313 824969848 /nfs/dbraw/zinc/96/98/48/824969848.db2.gz VUHNBTWDVGLBKH-LBPRGKRZSA-N 1 3 264.329 -0.270 20 0 CBADHO N[C@H](Cc1cccc(O)c1)C(=O)NC1(C[NH3+])COC1 ZINC001220154096 824970451 /nfs/dbraw/zinc/97/04/51/824970451.db2.gz KSJWKIWHIWKPIH-LLVKDONJSA-N 1 3 265.313 -0.894 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220157065 824973695 /nfs/dbraw/zinc/97/36/95/824973695.db2.gz WDBYCDDSQLRLDB-GVXVVHGQSA-N 1 3 252.362 -0.852 20 0 CBADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(F)cn1 ZINC001220170949 824975790 /nfs/dbraw/zinc/97/57/90/824975790.db2.gz ZLQGZBWBAYJZQS-VIFPVBQESA-N 1 3 277.303 -0.529 20 0 CBADHO CCC1(CNC(=O)[C@@H](N)CSCC[NH3+])COC1 ZINC001220170386 824975992 /nfs/dbraw/zinc/97/59/92/824975992.db2.gz JHSXTZQLIMZHEJ-VIFPVBQESA-N 1 3 261.391 -0.452 20 0 CBADHO Cc1ncc(CNC(=O)[C@@H](N)CSCC[NH3+])cn1 ZINC001220176037 824978093 /nfs/dbraw/zinc/97/80/93/824978093.db2.gz CRKWAOGSFBHFTA-JTQLQIEISA-N 1 3 269.374 -0.580 20 0 CBADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cncnc1 ZINC001220183690 824980424 /nfs/dbraw/zinc/98/04/24/824980424.db2.gz XARMDOIKBXOQTI-ONGXEEELSA-N 1 3 261.329 -0.537 20 0 CBADHO COc1ccnc(C(=N)NC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001220183121 824980979 /nfs/dbraw/zinc/98/09/79/824980979.db2.gz FRBAIRBDIGDXTK-SNVBAGLBSA-N 1 3 292.343 -0.746 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cncnc1 ZINC001220183099 824981064 /nfs/dbraw/zinc/98/10/64/824981064.db2.gz DUYIRIDZKLSULY-SKDRFNHKSA-N 1 3 263.345 -0.019 20 0 CBADHO CC1(C)C[C@@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)O1 ZINC001220200886 824985931 /nfs/dbraw/zinc/98/59/31/824985931.db2.gz YHVRGPCIENLITE-QWRGUYRKSA-N 1 3 255.362 -0.003 20 0 CBADHO CC1(C)C[C@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)O1 ZINC001220200884 824986716 /nfs/dbraw/zinc/98/67/16/824986716.db2.gz YHVRGPCIENLITE-GHMZBOCLSA-N 1 3 255.362 -0.003 20 0 CBADHO CC(C)(C)[C@H](CO)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220217133 824987607 /nfs/dbraw/zinc/98/76/07/824987607.db2.gz MLOOCWDRFSPOGW-UWVGGRQHSA-N 1 3 255.362 -0.681 20 0 CBADHO O=C(NC1(c2cccnn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220209703 824988511 /nfs/dbraw/zinc/98/85/11/824988511.db2.gz AWRAJUNXJHNPME-SNVBAGLBSA-N 1 3 273.340 -0.609 20 0 CBADHO COC1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001220220769 824989924 /nfs/dbraw/zinc/98/99/24/824989924.db2.gz DWXFEYCEAFNSAZ-MCIGGMRASA-N 1 3 267.373 -0.131 20 0 CBADHO CN1C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1=O ZINC001220245853 824994823 /nfs/dbraw/zinc/99/48/23/824994823.db2.gz WKWYVHKWKLYPJI-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO CN1C[C@@H](CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1=O ZINC001220245853 824994827 /nfs/dbraw/zinc/99/48/27/824994827.db2.gz WKWYVHKWKLYPJI-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220254081 824995886 /nfs/dbraw/zinc/99/58/86/824995886.db2.gz JDMWXCKOWSLOEV-LLVKDONJSA-N 1 3 267.377 -0.017 20 0 CBADHO CC1(C)OCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CO1 ZINC001220271023 825001749 /nfs/dbraw/zinc/00/17/49/825001749.db2.gz QIKQJJOEMVHJFG-QMTHXVAHSA-N 1 3 283.372 -0.547 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312843 825012446 /nfs/dbraw/zinc/01/24/46/825012446.db2.gz HFDVUFWCRRVFDP-QMMMGPOBSA-N 1 3 287.314 -0.025 20 0 CBADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH3+])n(N)c(=O)c1 ZINC001220323897 825015002 /nfs/dbraw/zinc/01/50/02/825015002.db2.gz QFVCOLSXCFOFEZ-VIFPVBQESA-N 1 3 267.333 -0.735 20 0 CBADHO N[C@H](C(=O)N[C@@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329167 825015784 /nfs/dbraw/zinc/01/57/84/825015784.db2.gz IDLVUCKTCAIEIU-NEPJUHHUSA-N 1 3 267.373 -0.001 20 0 CBADHO NC(C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC001220321900 825015880 /nfs/dbraw/zinc/01/58/80/825015880.db2.gz ZVZRHNSNSZHWEA-NQMVMOMDSA-N 1 3 281.278 -0.097 20 0 CBADHO O=C(N[C@H]1CC12CCOCC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220329402 825016638 /nfs/dbraw/zinc/01/66/38/825016638.db2.gz ONEIGRIMJGLPLK-QWRGUYRKSA-N 1 3 265.357 -0.519 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220335802 825016679 /nfs/dbraw/zinc/01/66/79/825016679.db2.gz UNNRZPXVQTZTBS-XQQFMLRXSA-N 1 3 269.389 -0.054 20 0 CBADHO O=C(NCCC1COC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220341259 825018667 /nfs/dbraw/zinc/01/86/67/825018667.db2.gz VEFMYZHSZMLFMC-DGCLKSJQSA-N 1 3 253.346 -0.662 20 0 CBADHO COc1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)nn1 ZINC001220343559 825019377 /nfs/dbraw/zinc/01/93/77/825019377.db2.gz SGKFQLTWGSSIBB-GFCCVEGCSA-N 1 3 279.344 -0.572 20 0 CBADHO O=C(NCC1(O)CCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220384455 825026473 /nfs/dbraw/zinc/02/64/73/825026473.db2.gz UTLIATRYSVILEN-ZWNOBZJWSA-N 1 3 253.346 -0.783 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394906 825028905 /nfs/dbraw/zinc/02/89/05/825028905.db2.gz PWJKJXHLCDVZKJ-JEOXALJRSA-N 1 3 287.429 -0.316 20 0 CBADHO CSc1nc(NC(=O)[C@@H](N)CCC[NH3+])cc(=O)n1C ZINC001220435206 825038501 /nfs/dbraw/zinc/03/85/01/825038501.db2.gz CRXKFWKPJWCFFJ-ZETCQYMHSA-N 1 3 285.373 -0.493 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC(=O)CCO ZINC001220449221 825041188 /nfs/dbraw/zinc/04/11/88/825041188.db2.gz PLUIYAWPTPUOFP-LBPRGKRZSA-N 1 3 273.377 -0.450 20 0 CBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(C)C ZINC001220462738 825044382 /nfs/dbraw/zinc/04/43/82/825044382.db2.gz MAXUKLWISRSRCD-STQMWFEESA-N 1 3 298.431 -0.021 20 0 CBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001220493107 825050529 /nfs/dbraw/zinc/05/05/29/825050529.db2.gz WILBZNFHOWTVOZ-NSHDSACASA-N 1 3 283.376 -0.201 20 0 CBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])c1cccnc1 ZINC001220527204 825056641 /nfs/dbraw/zinc/05/66/41/825056641.db2.gz GHYIMMPFAWFWCK-RYUDHWBXSA-N 1 3 294.355 -0.132 20 0 CBADHO COC(CCCNC(=O)[C@@H](N)CCCC[NH3+])OC ZINC001220741019 825095648 /nfs/dbraw/zinc/09/56/48/825095648.db2.gz BGSQZYQRWIEQNF-JTQLQIEISA-N 1 3 261.366 -0.042 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220757291 825097925 /nfs/dbraw/zinc/09/79/25/825097925.db2.gz ZBKFEVWBGXZFDP-KOLCDFICSA-N 1 3 258.366 -0.669 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)C(N)C(F)(F)F ZINC001220583503 825070673 /nfs/dbraw/zinc/07/06/73/825070673.db2.gz NTAAZXSLZUTYOB-ZETCQYMHSA-N 1 3 271.239 -0.774 20 0 CBADHO CC(=O)N1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220596802 825073978 /nfs/dbraw/zinc/07/39/78/825073978.db2.gz IMQRFQZREIVXRU-GFCCVEGCSA-N 1 3 280.372 -0.793 20 0 CBADHO CC(=O)N1CC(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220596802 825073984 /nfs/dbraw/zinc/07/39/84/825073984.db2.gz IMQRFQZREIVXRU-GFCCVEGCSA-N 1 3 280.372 -0.793 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ncc(F)cn1 ZINC001220598832 825076564 /nfs/dbraw/zinc/07/65/64/825076564.db2.gz FATHQXQICUVAAP-SCZZXKLOSA-N 1 3 279.319 -0.398 20 0 CBADHO O=C(N[C@H]1NC(=O)c2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220620357 825077135 /nfs/dbraw/zinc/07/71/35/825077135.db2.gz SHASYRIAFPYWPL-VXGBXAGGSA-N 1 3 286.335 -0.646 20 0 CBADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCC[NH3+] ZINC001220661113 825081784 /nfs/dbraw/zinc/08/17/84/825081784.db2.gz SORBDESMGIUSOF-VWYCJHECSA-N 1 3 271.361 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220682869 825083927 /nfs/dbraw/zinc/08/39/27/825083927.db2.gz FFGIJOITXFCDAT-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220682869 825083937 /nfs/dbraw/zinc/08/39/37/825083937.db2.gz FFGIJOITXFCDAT-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCC1Oc2ccccc2O1 ZINC001220708975 825089723 /nfs/dbraw/zinc/08/97/23/825089723.db2.gz NVMKNXQZKQRYKL-VIFPVBQESA-N 1 3 297.380 -0.081 20 0 CBADHO NC(=O)c1ccccc1OCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220718687 825093859 /nfs/dbraw/zinc/09/38/59/825093859.db2.gz GGIXMBFNHNGNLB-LLVKDONJSA-N 1 3 294.355 -0.653 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220756299 825096375 /nfs/dbraw/zinc/09/63/75/825096375.db2.gz AKKSTTPYQAQCQU-SKDRFNHKSA-N 1 3 270.377 -0.798 20 0 CBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220768613 825098507 /nfs/dbraw/zinc/09/85/07/825098507.db2.gz VJEYJZZKWAFLRG-OLZOCXBDSA-N 1 3 285.388 -0.864 20 0 CBADHO CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220766064 825098964 /nfs/dbraw/zinc/09/89/64/825098964.db2.gz LBMDTEDGFRZKPJ-CIUDSAMLSA-N 1 3 261.391 -0.719 20 0 CBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220766971 825100128 /nfs/dbraw/zinc/10/01/28/825100128.db2.gz ZAMAKPCTPJDPCW-MXWKQRLJSA-N 1 3 255.362 -0.411 20 0 CBADHO O=C(NCCN1CCC(F)(F)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220808285 825105309 /nfs/dbraw/zinc/10/53/09/825105309.db2.gz NCRMESKJRRDBLL-SNVBAGLBSA-N 1 3 288.342 -0.747 20 0 CBADHO COC(=O)c1cncc(CNC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001220843285 825111217 /nfs/dbraw/zinc/11/12/17/825111217.db2.gz QOHISMLEYHBGCX-NSHDSACASA-N 1 3 280.328 -0.449 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859636 825114182 /nfs/dbraw/zinc/11/41/82/825114182.db2.gz HPVLCCZCGWVMAX-NHCYSSNCSA-N 1 3 286.420 -0.034 20 0 CBADHO COC[C@H](NC(=O)[C@@H](N)CCC[NH3+])[C@@H](O)c1ccccc1 ZINC001220865803 825115914 /nfs/dbraw/zinc/11/59/14/825115914.db2.gz LFZSHTPGNLXWDR-IHRRRGAJSA-N 1 3 295.383 -0.083 20 0 CBADHO COc1cncc(CNC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001220871241 825117228 /nfs/dbraw/zinc/11/72/28/825117228.db2.gz WTBJVTMXTPMCQH-NSHDSACASA-N 1 3 252.318 -0.227 20 0 CBADHO COc1cncc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001220871022 825117762 /nfs/dbraw/zinc/11/77/62/825117762.db2.gz ROYVYRCQAHBTMC-IUODEOHRSA-N 1 3 290.367 -0.095 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220881575 825118997 /nfs/dbraw/zinc/11/89/97/825118997.db2.gz NBJRMSCMKSBTJO-ICUOPCATSA-N 1 3 281.356 -0.889 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220881187 825119029 /nfs/dbraw/zinc/11/90/29/825119029.db2.gz FIHGKLBXVFZWKF-AXFHLTTASA-N 1 3 269.345 -0.761 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220887296 825121372 /nfs/dbraw/zinc/12/13/72/825121372.db2.gz ZKYURZHEVPXJIG-AXFHLTTASA-N 1 3 268.361 -0.807 20 0 CBADHO N[C@@H](C(=O)NC1(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001220934032 825125190 /nfs/dbraw/zinc/12/51/90/825125190.db2.gz GWGQDFKLAJHDGR-LLVKDONJSA-N 1 3 275.356 -0.091 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936672 825126280 /nfs/dbraw/zinc/12/62/80/825126280.db2.gz IACXVHZUXLSOHY-RYUDHWBXSA-N 1 3 255.362 -0.001 20 0 CBADHO Cc1nnc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)o1 ZINC001221010435 825135132 /nfs/dbraw/zinc/13/51/32/825135132.db2.gz HHKSRNPKPCNSNC-JTQLQIEISA-N 1 3 253.306 -0.679 20 0 CBADHO O=C(NCc1ncn2ccccc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001221008706 825135647 /nfs/dbraw/zinc/13/56/47/825135647.db2.gz YHTFOVSBSJIGNB-NSHDSACASA-N 1 3 285.351 -0.241 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001221007826 825135994 /nfs/dbraw/zinc/13/59/94/825135994.db2.gz DXOGHALTJFNUIB-OUAUKWLOSA-N 1 3 253.346 -0.521 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001221010683 825136178 /nfs/dbraw/zinc/13/61/78/825136178.db2.gz ODYXBXAIUZCTBU-JLLWLGSASA-N 1 3 255.362 -0.003 20 0 CBADHO O=C(NCCc1nncs1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221013739 825137026 /nfs/dbraw/zinc/13/70/26/825137026.db2.gz VQXUTZFSLICOGJ-BXKDBHETSA-N 1 3 281.385 -0.604 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC1(c2cnccn2)CC1 ZINC001221082584 825141414 /nfs/dbraw/zinc/14/14/14/825141414.db2.gz ZPOAZBWOLNGHOA-VIFPVBQESA-N 1 3 281.385 -0.399 20 0 CBADHO Cc1nccnc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221103907 825143830 /nfs/dbraw/zinc/14/38/30/825143830.db2.gz SMJWNKFDMCDHEH-JTQLQIEISA-N 1 3 261.329 -0.790 20 0 CBADHO COCC1(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)CCOCC1 ZINC001221176620 825150591 /nfs/dbraw/zinc/15/05/91/825150591.db2.gz GTQMUKBRRVSWCA-ZDUSSCGKSA-N 1 3 299.415 -0.127 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221241084 825157779 /nfs/dbraw/zinc/15/77/79/825157779.db2.gz NIOATFLQSLAXKD-UBHSHLNASA-N 1 3 266.389 -0.462 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2C[C@@](C)([NH3+])C2)COC1(C)C ZINC001221241672 825158476 /nfs/dbraw/zinc/15/84/76/825158476.db2.gz WVIQZWFTOGHIHA-RUMNANIHSA-N 1 3 298.387 -0.707 20 0 CBADHO O=C(N[C@@H]1CCOC[C@@H]1F)[C@@H]1C[NH2+]CC12CNC2 ZINC001221242886 825158737 /nfs/dbraw/zinc/15/87/37/825158737.db2.gz ADVKOMQTKLPNEK-LPEHRKFASA-N 1 3 257.309 -0.961 20 0 CBADHO CN1CCC[C@](C)(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221241486 825158669 /nfs/dbraw/zinc/15/86/69/825158669.db2.gz WIASMIFXOJSNQY-AWEZNQCLSA-N 1 3 268.405 -0.072 20 0 CBADHO C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001221241089 825159197 /nfs/dbraw/zinc/15/91/97/825159197.db2.gz NJWJLPNQMVSITE-DGCLKSJQSA-N 1 3 265.361 -0.120 20 0 CBADHO C[N@H+]1CCC[C@@](C)(NC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001221241089 825159198 /nfs/dbraw/zinc/15/91/98/825159198.db2.gz NJWJLPNQMVSITE-DGCLKSJQSA-N 1 3 265.361 -0.120 20 0 CBADHO CC[C@H](C)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)N(C)C ZINC001221278390 825166592 /nfs/dbraw/zinc/16/65/92/825166592.db2.gz QUOZIBXFAVENCR-TUAOUCFPSA-N 1 3 296.415 -0.586 20 0 CBADHO Cn1ncc2c1cccc2CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221306692 825168457 /nfs/dbraw/zinc/16/84/57/825168457.db2.gz WYHZAEXGADJRDX-ZDUSSCGKSA-N 1 3 299.378 -0.002 20 0 CBADHO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221339679 825174767 /nfs/dbraw/zinc/17/47/67/825174767.db2.gz MKMAHTMZFCZOLJ-KXNHARMFSA-N 1 3 265.357 -0.378 20 0 CBADHO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221339679 825174771 /nfs/dbraw/zinc/17/47/71/825174771.db2.gz MKMAHTMZFCZOLJ-KXNHARMFSA-N 1 3 265.357 -0.378 20 0 CBADHO CC[C@@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221377032 825179309 /nfs/dbraw/zinc/17/93/09/825179309.db2.gz PPSOIJJIVCSRCQ-QWRGUYRKSA-N 1 3 255.362 -0.252 20 0 CBADHO CC[C@@H](CO)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221377032 825179311 /nfs/dbraw/zinc/17/93/11/825179311.db2.gz PPSOIJJIVCSRCQ-QWRGUYRKSA-N 1 3 255.362 -0.252 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)NC1 ZINC001221390921 825180144 /nfs/dbraw/zinc/18/01/44/825180144.db2.gz JBQNFWKECFFGFC-JSGCOSHPSA-N 1 3 292.383 -0.723 20 0 CBADHO N[C@H](C(=O)NCCOc1ccncc1)C1CC[NH2+]CC1 ZINC001221393432 825181449 /nfs/dbraw/zinc/18/14/49/825181449.db2.gz DHMCLIGXAHCJNA-ZDUSSCGKSA-N 1 3 278.356 -0.097 20 0 CBADHO CC(C)N(C(=O)[C@H](N)CCCNC(N)=O)C(C)(C)C[NH3+] ZINC001221395069 825181804 /nfs/dbraw/zinc/18/18/04/825181804.db2.gz ZOKZTLFWWYTJBN-SNVBAGLBSA-N 1 3 287.408 -0.264 20 0 CBADHO C[C@]1(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCCOC1 ZINC001221403793 825183821 /nfs/dbraw/zinc/18/38/21/825183821.db2.gz XNZURPFAHZFXKY-PWSUYJOCSA-N 1 3 253.346 -0.519 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001221403823 825184515 /nfs/dbraw/zinc/18/45/15/825184515.db2.gz ZEAKBZAHKZXXPY-QWRGUYRKSA-N 1 3 273.352 -0.351 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221409061 825185805 /nfs/dbraw/zinc/18/58/05/825185805.db2.gz MBWDKWAGOMYOHB-ZKTNFTSUSA-N 1 3 287.429 -0.413 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411872 825187737 /nfs/dbraw/zinc/18/77/37/825187737.db2.gz YHLRHSLWWABMMY-STQMWFEESA-N 1 3 277.372 -0.216 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411872 825187740 /nfs/dbraw/zinc/18/77/40/825187740.db2.gz YHLRHSLWWABMMY-STQMWFEESA-N 1 3 277.372 -0.216 20 0 CBADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791414 825193783 /nfs/dbraw/zinc/19/37/83/825193783.db2.gz KALAKEWEKQPGKW-YNEHKIRRSA-N 1 3 269.389 -0.148 20 0 CBADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221777038 825194679 /nfs/dbraw/zinc/19/46/79/825194679.db2.gz OVPNSGQOJMGHDD-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C([C@@H]1CNCCO1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492514 825213361 /nfs/dbraw/zinc/21/33/61/825213361.db2.gz ZANBROPZWWBHQR-AVGNSLFASA-N 1 3 254.378 -0.999 20 0 CBADHO O=C1NCC[C@]12C[N@H+](CCCCCO)CC21CNC1 ZINC001222520857 825214620 /nfs/dbraw/zinc/21/46/20/825214620.db2.gz LWGQXMYGWNGCSN-AWEZNQCLSA-N 1 3 267.373 -0.440 20 0 CBADHO O=C1NCC[C@]12C[N@@H+](CCCCCO)CC21CNC1 ZINC001222520857 825214630 /nfs/dbraw/zinc/21/46/30/825214630.db2.gz LWGQXMYGWNGCSN-AWEZNQCLSA-N 1 3 267.373 -0.440 20 0 CBADHO CN1CCO[C@@H](COCCN2CC[NH+](C)CC2)C1 ZINC001224549432 825241838 /nfs/dbraw/zinc/24/18/38/825241838.db2.gz NYKYWVZUOOMTTO-CYBMUJFWSA-N 1 3 257.378 -0.419 20 0 CBADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CCC1 ZINC001226831032 825289421 /nfs/dbraw/zinc/28/94/21/825289421.db2.gz MFUJDJGGJGHXGW-CHWSQXEVSA-N 1 3 296.415 -0.027 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1CCN(CCO)CC1 ZINC001229909516 825339522 /nfs/dbraw/zinc/33/95/22/825339522.db2.gz XZCBHGHLCSFDQT-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCO)CC1 ZINC001229909516 825339526 /nfs/dbraw/zinc/33/95/26/825339526.db2.gz XZCBHGHLCSFDQT-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO C(c1nc2c(s1)CNCC2)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064914 825486651 /nfs/dbraw/zinc/48/66/51/825486651.db2.gz ZAOYQQNXGOZHGV-CQSZACIVSA-N 1 3 293.440 -0.074 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@@H]1CO ZINC001235443364 825495471 /nfs/dbraw/zinc/49/54/71/825495471.db2.gz MZYLKTATQRDGQP-MXWKQRLJSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@@H]1CO ZINC001235443364 825495479 /nfs/dbraw/zinc/49/54/79/825495479.db2.gz MZYLKTATQRDGQP-MXWKQRLJSA-N 1 3 263.332 -0.257 20 0 CBADHO CN(C)CCn1c(=O)ccc2c1CCN(CC[NH3+])CC2 ZINC001235487595 825497576 /nfs/dbraw/zinc/49/75/76/825497576.db2.gz HUYZMUUEPRTVSE-UHFFFAOYSA-N 1 3 278.400 -0.231 20 0 CBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](CCN)C[C@@H]21 ZINC001235523425 825500980 /nfs/dbraw/zinc/50/09/80/825500980.db2.gz XKDHKYDUNCQTLF-SDDRHHMPSA-N 1 3 270.377 -0.447 20 0 CBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](CCN)C[C@@H]21 ZINC001235523425 825500986 /nfs/dbraw/zinc/50/09/86/825500986.db2.gz XKDHKYDUNCQTLF-SDDRHHMPSA-N 1 3 270.377 -0.447 20 0 CBADHO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2CCN)CC1 ZINC001235642267 825510342 /nfs/dbraw/zinc/51/03/42/825510342.db2.gz DZUCNQWPNPPWLS-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CN(C)C(=O)CN1CCC2(CCC[N@H+]2CCN)CC1 ZINC001235642267 825510346 /nfs/dbraw/zinc/51/03/46/825510346.db2.gz DZUCNQWPNPPWLS-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO Cc1ccc([O-])c(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235871456 825516503 /nfs/dbraw/zinc/51/65/03/825516503.db2.gz ULCUQRAKVSDFRI-UHFFFAOYSA-N 1 3 293.415 -0.320 20 0 CBADHO CCOC(=O)[C@]12CN(C[C@@H]3COCCN3)C[C@H]1C[NH2+]CC2 ZINC001236037309 825519158 /nfs/dbraw/zinc/51/91/58/825519158.db2.gz GGUSQYSAMHEPJS-UMVBOHGHSA-N 1 3 297.399 -0.551 20 0 CBADHO COC(=O)[C@@H]1CNCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236056764 825520876 /nfs/dbraw/zinc/52/08/76/825520876.db2.gz QABMZMJHLPQWTK-JTQLQIEISA-N 1 3 296.396 -0.264 20 0 CBADHO COC(=O)[C@@H](N)C1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236067909 825522751 /nfs/dbraw/zinc/52/27/51/825522751.db2.gz RMJRTLJIFYFBOB-RYUDHWBXSA-N 1 3 285.388 -0.077 20 0 CBADHO COC(=O)[C@@H](N)C1CC[NH+](C[C@@H]2CNC(C)(C)O2)CC1 ZINC001236067909 825522758 /nfs/dbraw/zinc/52/27/58/825522758.db2.gz RMJRTLJIFYFBOB-RYUDHWBXSA-N 1 3 285.388 -0.077 20 0 CBADHO COC(=O)[C@H]1C[N@H+](CC(C)(C)N2CCOCC2)C[C@@H]1N ZINC001236344571 825528012 /nfs/dbraw/zinc/52/80/12/825528012.db2.gz RLPORHOMIBWCDF-RYUDHWBXSA-N 1 3 285.388 -0.471 20 0 CBADHO COC(=O)[C@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@@H]1N ZINC001236344571 825528016 /nfs/dbraw/zinc/52/80/16/825528016.db2.gz RLPORHOMIBWCDF-RYUDHWBXSA-N 1 3 285.388 -0.471 20 0 CBADHO C=CS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243121 825550662 /nfs/dbraw/zinc/55/06/62/825550662.db2.gz RVXYHHCFDXEHCW-JTQLQIEISA-N 1 3 259.375 -0.077 20 0 CBADHO C=CS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243121 825550664 /nfs/dbraw/zinc/55/06/64/825550664.db2.gz RVXYHHCFDXEHCW-JTQLQIEISA-N 1 3 259.375 -0.077 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001238313374 825551099 /nfs/dbraw/zinc/55/10/99/825551099.db2.gz QMOUWFXYCCNDLE-MXWKQRLJSA-N 1 3 261.391 -0.500 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238342088 825552126 /nfs/dbraw/zinc/55/21/26/825552126.db2.gz GDNBJIQEBGKZLI-MNOVXSKESA-N 1 3 277.390 -0.977 20 0 CBADHO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001238626061 825557395 /nfs/dbraw/zinc/55/73/95/825557395.db2.gz QOBIYIKWBQGMNW-PWSUYJOCSA-N 1 3 291.417 -0.718 20 0 CBADHO C[C@H]1CCNCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238934445 825573581 /nfs/dbraw/zinc/57/35/81/825573581.db2.gz CAVNHHZSQJQOFJ-NSHDSACASA-N 1 3 275.418 0.000 20 0 CBADHO NCCS(=O)(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001239073425 825584712 /nfs/dbraw/zinc/58/47/12/825584712.db2.gz MZEIUKSFQVVMCV-IUCAKERBSA-N 1 3 265.354 -0.716 20 0 CBADHO CC1(N2CCN(S(=O)(=O)CCN)CC2)CC[NH2+]CC1 ZINC001239090756 825586180 /nfs/dbraw/zinc/58/61/80/825586180.db2.gz HPNCUTKPENBXJB-UHFFFAOYSA-N 1 3 290.433 -0.965 20 0 CBADHO COCCCN(C1CC[NH2+]CC1)S(=O)(=O)CCN ZINC001239100969 825587756 /nfs/dbraw/zinc/58/77/56/825587756.db2.gz VJNOTIIGFBRTPX-UHFFFAOYSA-N 1 3 279.406 -0.635 20 0 CBADHO C[N@H+](C1CC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239114159 825589952 /nfs/dbraw/zinc/58/99/52/825589952.db2.gz UPCDKZNKFJMGFP-UHFFFAOYSA-N 1 3 261.391 -0.167 20 0 CBADHO C[N@@H+](C1CC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239114159 825589956 /nfs/dbraw/zinc/58/99/56/825589956.db2.gz UPCDKZNKFJMGFP-UHFFFAOYSA-N 1 3 261.391 -0.167 20 0 CBADHO COCCNC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218100 825596871 /nfs/dbraw/zinc/59/68/71/825596871.db2.gz WHXJZRXICZDSKR-NSHDSACASA-N 1 3 270.377 -0.194 20 0 CBADHO [NH3+][C@@H]1CCN(C(=S)NCCN2CCCCC2)C[C@H]1O ZINC001239407211 825603043 /nfs/dbraw/zinc/60/30/43/825603043.db2.gz POAFAPLWVBHBEY-VXGBXAGGSA-N 1 3 286.445 -0.259 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)CN1CCOCC1 ZINC001245981497 825616202 /nfs/dbraw/zinc/61/62/02/825616202.db2.gz HNFYVOHLFTVLRU-BFHYXJOUSA-N 1 3 271.405 -0.343 20 0 CBADHO CC(C)(C)OC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977953 825616535 /nfs/dbraw/zinc/61/65/35/825616535.db2.gz YKTGWTLOXLBXKC-NTZNESFSSA-N 1 3 278.368 -0.186 20 0 CBADHO CCCCOC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246008706 825620890 /nfs/dbraw/zinc/62/08/90/825620890.db2.gz PIDWEBRUVRXMIV-RYUDHWBXSA-N 1 3 275.393 -0.264 20 0 CBADHO CCCOC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246009007 825621486 /nfs/dbraw/zinc/62/14/86/825621486.db2.gz QRQWQTJYLYKCMH-QWRGUYRKSA-N 1 3 261.366 -0.654 20 0 CBADHO CCCOC[C@@H](O)C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246027889 825626053 /nfs/dbraw/zinc/62/60/53/825626053.db2.gz YPHNIOSPBPOEIH-WFASDCNBSA-N 1 3 297.399 -0.815 20 0 CBADHO CCCOC[C@@H](O)C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246027889 825626056 /nfs/dbraw/zinc/62/60/56/825626056.db2.gz YPHNIOSPBPOEIH-WFASDCNBSA-N 1 3 297.399 -0.815 20 0 CBADHO CCOC(=O)C[C@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246035198 825628673 /nfs/dbraw/zinc/62/86/73/825628673.db2.gz ZWOXWTHBMLJQBN-LBPRGKRZSA-N 1 3 285.388 -0.672 20 0 CBADHO CC(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086026 825634043 /nfs/dbraw/zinc/63/40/43/825634043.db2.gz YSZONCSJBISJGD-FRRDWIJNSA-N 1 3 273.352 -0.351 20 0 CBADHO O=C1CC[C@@H]2C[C@@H]([NH2+]C[C@]3(O)CCNC[C@@H]3F)CCN12 ZINC001246088043 825635284 /nfs/dbraw/zinc/63/52/84/825635284.db2.gz IDYMIDCXZOWMAM-KZVDOYCCSA-N 1 3 285.363 -0.208 20 0 CBADHO C(NC1CC[NH2+]CC1)c1nnn2c1CNCCC2 ZINC001246129747 825639210 /nfs/dbraw/zinc/63/92/10/825639210.db2.gz HVOPYURUMFIGDC-UHFFFAOYSA-N 1 3 250.350 -0.387 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246149690 825641063 /nfs/dbraw/zinc/64/10/63/825641063.db2.gz DYAYVGAVVBVKQR-MRBYEJRBSA-N 1 3 269.345 -1.000 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246150903 825642505 /nfs/dbraw/zinc/64/25/05/825642505.db2.gz UQICIQLQPLQMNH-FPYNETTCSA-N 1 3 283.372 -0.896 20 0 CBADHO COC(=O)CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246184212 825646870 /nfs/dbraw/zinc/64/68/70/825646870.db2.gz ICAWIEPLCDLCQG-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)CN1 ZINC001246183982 825647207 /nfs/dbraw/zinc/64/72/07/825647207.db2.gz YDEZPKHIRCLZLA-TUAOUCFPSA-N 1 3 255.362 -0.179 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@@]2(C)CC[NH2+]C2)CN1 ZINC001246216451 825651987 /nfs/dbraw/zinc/65/19/87/825651987.db2.gz JZACFHBEXFEQOA-GVXVVHGQSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@]2(C)CC[NH2+]C2)CN1 ZINC001246216448 825652066 /nfs/dbraw/zinc/65/20/66/825652066.db2.gz JZACFHBEXFEQOA-GMXVVIOVSA-N 1 3 255.362 -0.131 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCN[C@@H](C)C1)C(N)=O ZINC001246266531 825657467 /nfs/dbraw/zinc/65/74/67/825657467.db2.gz CKFLADPIKPNCHF-UHTWSYAYSA-N 1 3 284.404 -0.123 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCN[C@H](C)C1)C(N)=O ZINC001246266528 825658277 /nfs/dbraw/zinc/65/82/77/825658277.db2.gz CKFLADPIKPNCHF-RTXFEEFZSA-N 1 3 284.404 -0.123 20 0 CBADHO CC(=O)N[C@@H](CCCC[NH2+]C1CCNCC1)C(N)=O ZINC001246272122 825658447 /nfs/dbraw/zinc/65/84/47/825658447.db2.gz UBNFGPZRWMOAJC-LBPRGKRZSA-N 1 3 270.377 -0.512 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246413015 825671508 /nfs/dbraw/zinc/67/15/08/825671508.db2.gz DYUJVIKZCFGOBS-YATPEIPISA-N 1 3 270.377 -0.922 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CC1=O ZINC001246420714 825672389 /nfs/dbraw/zinc/67/23/89/825672389.db2.gz ZHYSUQYRDHHFRW-MNOVXSKESA-N 1 3 270.377 -0.430 20 0 CBADHO NC(=O)[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246455406 825674883 /nfs/dbraw/zinc/67/48/83/825674883.db2.gz WXMYVRJEDXXCBA-QWHCGFSZSA-N 1 3 274.368 -0.103 20 0 CBADHO FC1CN(C2CN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246534112 825681879 /nfs/dbraw/zinc/68/18/79/825681879.db2.gz GPKZMDCHMBRHFP-NSHDSACASA-N 1 3 254.353 -0.582 20 0 CBADHO C1[NH2+]CC12C[C@H](N1CCN([C@@H]3CCOC3)CC1)CCN2 ZINC001246537962 825683345 /nfs/dbraw/zinc/68/33/45/825683345.db2.gz LRUDXLLPZLEHSC-ZIAGYGMSSA-N 1 3 280.416 -0.513 20 0 CBADHO CC(=O)N1CC[C@H]([N@H+]2CCCC[C@](O)(CN)C2)C1 ZINC001246561687 825685646 /nfs/dbraw/zinc/68/56/46/825685646.db2.gz SBMZZRKOOPRETC-STQMWFEESA-N 1 3 255.362 -0.217 20 0 CBADHO CC(=O)N1CC[C@H]([N@@H+]2CCCC[C@](O)(CN)C2)C1 ZINC001246561687 825685642 /nfs/dbraw/zinc/68/56/42/825685642.db2.gz SBMZZRKOOPRETC-STQMWFEESA-N 1 3 255.362 -0.217 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579365 825689305 /nfs/dbraw/zinc/68/93/05/825689305.db2.gz IVBRGOJGVBYKQL-SDDRHHMPSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCCC3(C2)OCCO3)C[C@H]1O ZINC001246579365 825689309 /nfs/dbraw/zinc/68/93/09/825689309.db2.gz IVBRGOJGVBYKQL-SDDRHHMPSA-N 1 3 256.346 -0.077 20 0 CBADHO COC(=O)C1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246578651 825689665 /nfs/dbraw/zinc/68/96/65/825689665.db2.gz GWODAWRIBKAYHL-ADPBJBESSA-N 1 3 256.346 -0.030 20 0 CBADHO COC(=O)C1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246578651 825689668 /nfs/dbraw/zinc/68/96/68/825689668.db2.gz GWODAWRIBKAYHL-ADPBJBESSA-N 1 3 256.346 -0.030 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583173 825690540 /nfs/dbraw/zinc/69/05/40/825690540.db2.gz ILHKFOFJUJUYTE-YFKTTZPYSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583173 825690544 /nfs/dbraw/zinc/69/05/44/825690544.db2.gz ILHKFOFJUJUYTE-YFKTTZPYSA-N 1 3 253.346 -0.609 20 0 CBADHO CCN(CC)C(=O)C[C@@H](C)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586196 825691144 /nfs/dbraw/zinc/69/11/44/825691144.db2.gz RMOLEUWBMQXPBJ-WOPDTQHZSA-N 1 3 257.378 -0.115 20 0 CBADHO C1C[NH2+]C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)C1 ZINC001246603046 825694161 /nfs/dbraw/zinc/69/41/61/825694161.db2.gz LYMGSETVTBUSTE-QWHCGFSZSA-N 1 3 255.362 -0.571 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246623565 825697286 /nfs/dbraw/zinc/69/72/86/825697286.db2.gz AKGZSALFGSGWLA-XQHKEYJVSA-N 1 3 267.373 -0.179 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CN1 ZINC001246855943 825722151 /nfs/dbraw/zinc/72/21/51/825722151.db2.gz WEUDLJDDRIGEGW-MRBYEJRBSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@]3(N)C2)CN1 ZINC001246855943 825722153 /nfs/dbraw/zinc/72/21/53/825722153.db2.gz WEUDLJDDRIGEGW-MRBYEJRBSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246856477 825722246 /nfs/dbraw/zinc/72/22/46/825722246.db2.gz BJRJZFOMOSDWMY-FOGDFJRCSA-N 1 3 255.362 -0.038 20 0 CBADHO CC(=O)N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246887178 825727386 /nfs/dbraw/zinc/72/73/86/825727386.db2.gz JQYXWCFVVGUOAE-AAEUAGOBSA-N 1 3 266.389 -0.367 20 0 CBADHO COC(=O)C1C[C@@H]2CC(N(C)CCO)C[C@H](C1)[NH2+]2 ZINC001246910682 825730295 /nfs/dbraw/zinc/73/02/95/825730295.db2.gz BPYFIGFPIFAUST-WSVSKBAQSA-N 1 3 256.346 -0.017 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246963352 825737201 /nfs/dbraw/zinc/73/72/01/825737201.db2.gz AEUVPHVFTZPCSA-UBHSHLNASA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC([N@@H+]3CC[C@H](N)C3)CC2)CN1 ZINC001246963352 825737205 /nfs/dbraw/zinc/73/72/05/825737205.db2.gz AEUVPHVFTZPCSA-UBHSHLNASA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC([N@H+]3CC[C@H](N)C3)CC2)CN1 ZINC001246963352 825737206 /nfs/dbraw/zinc/73/72/06/825737206.db2.gz AEUVPHVFTZPCSA-UBHSHLNASA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246977761 825737742 /nfs/dbraw/zinc/73/77/42/825737742.db2.gz QUXSWNLSRQEWPJ-IHRRRGAJSA-N 1 3 296.415 -0.613 20 0 CBADHO C[C@@H]1CN(C2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@H](C)O1 ZINC001246985998 825739169 /nfs/dbraw/zinc/73/91/69/825739169.db2.gz DNTHAUJZNMWDSN-HZSPNIEDSA-N 1 3 294.443 -0.126 20 0 CBADHO [NH3+]CCNCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249266452 825748502 /nfs/dbraw/zinc/74/85/02/825748502.db2.gz NWWBTXSTUYHLHQ-UHFFFAOYSA-N 1 3 274.328 -0.174 20 0 CBADHO CN1CCN(C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC001252059632 825821772 /nfs/dbraw/zinc/82/17/72/825821772.db2.gz FSWMRRPPIZILED-ZDUSSCGKSA-N 1 3 257.378 -0.949 20 0 CBADHO C[NH+](C)CCN1CCN(CC(C)(C)O)CCC1=O ZINC001252356417 825835082 /nfs/dbraw/zinc/83/50/82/825835082.db2.gz LRNLAFHIMQPETI-UHFFFAOYSA-N 1 3 257.378 -0.147 20 0 CBADHO COC(=O)[C@@H](O)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001252419962 825847682 /nfs/dbraw/zinc/84/76/82/825847682.db2.gz FVXKTQBWDGDCMU-ZDUSSCGKSA-N 1 3 285.388 -0.768 20 0 CBADHO COC(=O)[C@@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252423138 825852081 /nfs/dbraw/zinc/85/20/81/825852081.db2.gz PCPSWBUPWJXCCC-AWEZNQCLSA-N 1 3 299.415 -0.520 20 0 CBADHO COC(=O)[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252440442 825858987 /nfs/dbraw/zinc/85/89/87/825858987.db2.gz ORCSDLGLJSFGEP-LBPRGKRZSA-N 1 3 273.377 -0.864 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001253202915 825904103 /nfs/dbraw/zinc/90/41/03/825904103.db2.gz CCXIWJOJESFVFF-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[NH+](CC)C[C@H](O)CNCCN1CCN(C)CC1 ZINC001253201869 825904165 /nfs/dbraw/zinc/90/41/65/825904165.db2.gz AJLHSQFWJKHFPJ-CQSZACIVSA-N 1 3 272.437 -0.474 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]C1CC(CO)(CO)C1 ZINC001253205228 825905468 /nfs/dbraw/zinc/90/54/68/825905468.db2.gz APRIPNWHFWMBMX-LBPRGKRZSA-N 1 3 260.378 -0.588 20 0 CBADHO Nc1ccncc1-c1cn(CCOCCOCC[NH3+])nn1 ZINC001254152968 825944919 /nfs/dbraw/zinc/94/49/19/825944919.db2.gz SYJQSRFUSYBLOY-UHFFFAOYSA-N 1 3 292.343 -0.255 20 0 CBADHO CN(C)CCCN(CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001254321447 825950750 /nfs/dbraw/zinc/95/07/50/825950750.db2.gz YCYCCILHMJYHKY-GFCCVEGCSA-N 1 3 277.434 -0.224 20 0 CBADHO CN([C@@H]1CC2CCN(CC2)C1)S(=O)(=O)CC[NH3+] ZINC001254835734 825969978 /nfs/dbraw/zinc/96/99/78/825969978.db2.gz IUERBIJQCNDLTQ-LLVKDONJSA-N 1 3 261.391 -0.309 20 0 CBADHO NC[C@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256578186 826025233 /nfs/dbraw/zinc/02/52/33/826025233.db2.gz BQEAGKIYZXTKJB-AWEZNQCLSA-N 1 3 264.373 -0.045 20 0 CBADHO C[N@H+](C[C@@H](O)CO)C1CCC(N2CCOCC2)CC1 ZINC001256691016 826029280 /nfs/dbraw/zinc/02/92/80/826029280.db2.gz LUIJWKGXLNCISH-JXQTWKCFSA-N 1 3 272.389 -0.085 20 0 CBADHO C[N@@H+](C[C@@H](O)CO)C1CCC(N2CCOCC2)CC1 ZINC001256691016 826029282 /nfs/dbraw/zinc/02/92/82/826029282.db2.gz LUIJWKGXLNCISH-JXQTWKCFSA-N 1 3 272.389 -0.085 20 0 CBADHO OC[C@H](O)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677212 826029933 /nfs/dbraw/zinc/02/99/33/826029933.db2.gz MZJDUQKEBQVWNK-WXRRBKDZSA-N 1 3 258.362 -0.427 20 0 CBADHO COC(=O)[C@H](CN)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682517 826030577 /nfs/dbraw/zinc/03/05/77/826030577.db2.gz KAZAZKIPVOKHED-IYXRBSQSSA-N 1 3 299.415 -0.033 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001257924854 826052883 /nfs/dbraw/zinc/05/28/83/826052883.db2.gz GEEOOPRFEOWGCH-GHMZBOCLSA-N 1 3 294.417 -0.073 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@H](C)C[NH3+] ZINC001257924854 826052892 /nfs/dbraw/zinc/05/28/92/826052892.db2.gz GEEOOPRFEOWGCH-GHMZBOCLSA-N 1 3 294.417 -0.073 20 0 CBADHO CC[C@@H]1C[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001261228016 826496887 /nfs/dbraw/zinc/49/68/87/826496887.db2.gz NYOAPGPXQYPPMB-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO [NH3+]CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261632065 826548486 /nfs/dbraw/zinc/54/84/86/826548486.db2.gz OFVKIRJMHGDNDF-NSHDSACASA-N 1 3 256.350 -0.502 20 0 CBADHO [NH3+]CCCOCCN[C@@H]1CCCS(=O)(=O)C1 ZINC001261836705 826594806 /nfs/dbraw/zinc/59/48/06/826594806.db2.gz JNTLTZWDYQHTRW-SNVBAGLBSA-N 1 3 250.364 -0.481 20 0 CBADHO C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCCN1 ZINC001261836719 826594848 /nfs/dbraw/zinc/59/48/48/826594848.db2.gz JVAHOQCDSYBCCZ-XUXIUFHCSA-N 1 3 269.389 -0.279 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001262005519 826617166 /nfs/dbraw/zinc/61/71/66/826617166.db2.gz DUOHDXMEWGYRBU-VIFPVBQESA-N 1 3 251.334 -0.392 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC1(C[NH3+])CCOCC1 ZINC001262008858 826618325 /nfs/dbraw/zinc/61/83/25/826618325.db2.gz ANNPMOZOYFJUGY-UHFFFAOYSA-N 1 3 252.318 -0.115 20 0 CBADHO O=C(CCC12CC(C1)C[NH2+]2)N1CCOC2(CNC2)C1 ZINC001262006990 826618433 /nfs/dbraw/zinc/61/84/33/826618433.db2.gz PASNKPXOJPHCAV-UHFFFAOYSA-N 1 3 265.357 -0.281 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073467 826632596 /nfs/dbraw/zinc/63/25/96/826632596.db2.gz SIXDERXRTGXFGT-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC001262586911 826713434 /nfs/dbraw/zinc/71/34/34/826713434.db2.gz OIWGMMRIPPMYCC-NXEZZACHSA-N 1 3 256.350 -0.728 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC001263103177 826737844 /nfs/dbraw/zinc/73/78/44/826737844.db2.gz RJHSPWYTUAECSI-JHJVBQTASA-N 1 3 268.405 -0.419 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156026 826744947 /nfs/dbraw/zinc/74/49/47/826744947.db2.gz LCBFTPXZYACCNI-ZNSHCXBVSA-N 1 3 251.330 -0.911 20 0 CBADHO Cc1cc(C[NH3+])oc1C(=O)N1CCNC[C@H]1CO ZINC001263180770 826750588 /nfs/dbraw/zinc/75/05/88/826750588.db2.gz URWPGQAKCKWGQW-VIFPVBQESA-N 1 3 253.302 -0.547 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001263203043 826752665 /nfs/dbraw/zinc/75/26/65/826752665.db2.gz RQVRKWORDQOWAW-BBBLOLIVSA-N 1 3 257.334 -0.524 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265504799 826900721 /nfs/dbraw/zinc/90/07/21/826900721.db2.gz JNVPYBHSJHMQOL-XYPYZODXSA-N 1 3 266.345 -0.120 20 0 CBADHO C[NH+](C)CCC(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001266231252 826961316 /nfs/dbraw/zinc/96/13/16/826961316.db2.gz DLNXVHVUWNQGNA-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H](O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339657 826985708 /nfs/dbraw/zinc/98/57/08/826985708.db2.gz VDRNWOAAGZRYBJ-VXGBXAGGSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCO)C1)N(C)C ZINC001266534169 827017352 /nfs/dbraw/zinc/01/73/52/827017352.db2.gz WIUFCGFWSLBTSN-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCO)C1)N(C)C ZINC001266534169 827017360 /nfs/dbraw/zinc/01/73/60/827017360.db2.gz WIUFCGFWSLBTSN-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO COCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266565849 827022696 /nfs/dbraw/zinc/02/26/96/827022696.db2.gz RKDDMLCINRNNOD-LBPRGKRZSA-N 1 3 255.362 -0.081 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702220 827054252 /nfs/dbraw/zinc/05/42/52/827054252.db2.gz UDYLVXLCDOKNAD-CYBMUJFWSA-N 1 3 296.415 -0.536 20 0 CBADHO CN(CCNCC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798636 827067837 /nfs/dbraw/zinc/06/78/37/827067837.db2.gz RNPVMFNXRHWXSI-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001266968008 827100356 /nfs/dbraw/zinc/10/03/56/827100356.db2.gz RQZYBJJEARQTGG-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266979253 827101815 /nfs/dbraw/zinc/10/18/15/827101815.db2.gz AWTBBKWHKSBXSI-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266979253 827101821 /nfs/dbraw/zinc/10/18/21/827101821.db2.gz AWTBBKWHKSBXSI-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267225943 827134085 /nfs/dbraw/zinc/13/40/85/827134085.db2.gz IOHNYXQMYTXBMB-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267225943 827134081 /nfs/dbraw/zinc/13/40/81/827134081.db2.gz IOHNYXQMYTXBMB-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(N)=O ZINC001267372491 827160685 /nfs/dbraw/zinc/16/06/85/827160685.db2.gz RZRNEUDLPVEYPR-NSHDSACASA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(N)=O ZINC001267372491 827160691 /nfs/dbraw/zinc/16/06/91/827160691.db2.gz RZRNEUDLPVEYPR-NSHDSACASA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001267451556 827172298 /nfs/dbraw/zinc/17/22/98/827172298.db2.gz IHKGMSHRMXRIIU-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001267451556 827172304 /nfs/dbraw/zinc/17/23/04/827172304.db2.gz IHKGMSHRMXRIIU-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CN(CC[NH2+]CCN1CCNC1=O)C(=O)CN1CCCC1 ZINC001267470452 827175293 /nfs/dbraw/zinc/17/52/93/827175293.db2.gz XINXAAFPGHIJQX-UHFFFAOYSA-N 1 3 297.403 -0.845 20 0 CBADHO CC(C)[C@@H](CNC(=O)CC[NH+](C)C)NCC(N)=O ZINC001268216003 827261226 /nfs/dbraw/zinc/26/12/26/827261226.db2.gz FPLWWPNWDPCTIA-SNVBAGLBSA-N 1 3 258.366 -0.846 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCO)C1 ZINC001268250290 827271356 /nfs/dbraw/zinc/27/13/56/827271356.db2.gz AMKYENVZMWPCBQ-LBPRGKRZSA-N 1 3 257.378 -0.289 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCO)C1 ZINC001268250290 827271368 /nfs/dbraw/zinc/27/13/68/827271368.db2.gz AMKYENVZMWPCBQ-LBPRGKRZSA-N 1 3 257.378 -0.289 20 0 CBADHO O=C(NC[C@H](O)CNCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001268306357 827289488 /nfs/dbraw/zinc/28/94/88/827289488.db2.gz AXLVQBSJSDPRDO-VXGBXAGGSA-N 1 3 273.352 -0.636 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001268375881 827317762 /nfs/dbraw/zinc/31/77/62/827317762.db2.gz SQZXKYXYRHUJPB-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580864 827370256 /nfs/dbraw/zinc/37/02/56/827370256.db2.gz DDTJAZWGSKZROH-BTDICHCPSA-N 1 3 296.415 -0.275 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584264 827371992 /nfs/dbraw/zinc/37/19/92/827371992.db2.gz XXVPNBFHXFDAEZ-PMSGKRBCSA-N 1 3 296.415 -0.148 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584264 827372002 /nfs/dbraw/zinc/37/20/02/827372002.db2.gz XXVPNBFHXFDAEZ-PMSGKRBCSA-N 1 3 296.415 -0.148 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625276 827383492 /nfs/dbraw/zinc/38/34/92/827383492.db2.gz MEBOSDAOHXALJR-AAAGKOELSA-N 1 3 296.415 -0.323 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625276 827383500 /nfs/dbraw/zinc/38/35/00/827383500.db2.gz MEBOSDAOHXALJR-AAAGKOELSA-N 1 3 296.415 -0.323 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCO ZINC001269472130 827513095 /nfs/dbraw/zinc/51/30/95/827513095.db2.gz VSULKBZFCOMGKC-VXGBXAGGSA-N 1 3 257.378 -0.195 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001270174661 827551530 /nfs/dbraw/zinc/55/15/30/827551530.db2.gz PGEQWDLKJUCDDR-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001270858071 827601682 /nfs/dbraw/zinc/60/16/82/827601682.db2.gz RMBOBOWPGYYVJX-UHFFFAOYSA-N 1 3 269.389 -0.145 20 0 CBADHO C[C@@H](C[NH2+]CCO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001271100270 827622244 /nfs/dbraw/zinc/62/22/44/827622244.db2.gz GUJFDMFEXPQEBR-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](C)C3)CC1 ZINC001271800770 827727158 /nfs/dbraw/zinc/72/71/58/827727158.db2.gz AAHUJONAURZOJG-UHFFFAOYSA-N 1 3 267.373 -0.393 20 0 CBADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@@H+](C)C3)CC1 ZINC001271800770 827727165 /nfs/dbraw/zinc/72/71/65/827727165.db2.gz AAHUJONAURZOJG-UHFFFAOYSA-N 1 3 267.373 -0.393 20 0 CBADHO CCN1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271996212 827748467 /nfs/dbraw/zinc/74/84/67/827748467.db2.gz JOBQJUVZWZOJBS-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271996212 827748471 /nfs/dbraw/zinc/74/84/71/827748471.db2.gz JOBQJUVZWZOJBS-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cn[nH]n3)C2)C1=O ZINC001272570511 827822791 /nfs/dbraw/zinc/82/27/91/827822791.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 1 3 292.387 -0.209 20 0 CBADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@H](C)O ZINC001274611868 828012538 /nfs/dbraw/zinc/01/25/38/828012538.db2.gz XCNRJWUTTSXNRD-FYJFLYSWSA-N 1 3 257.378 -0.031 20 0 CBADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C[C@H](O)CO ZINC001274565755 828001736 /nfs/dbraw/zinc/00/17/36/828001736.db2.gz UEUCIBLXLNDMGV-ZFWWWQNUSA-N 1 3 299.415 -0.642 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001275039298 828050797 /nfs/dbraw/zinc/05/07/97/828050797.db2.gz RCHOBWICPSSDNM-NXEZZACHSA-N 1 3 258.366 -0.705 20 0 CBADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC(=O)N1 ZINC001275187255 828065362 /nfs/dbraw/zinc/06/53/62/828065362.db2.gz HGPLYBSHVOLBRE-MCIONIFRSA-N 1 3 280.416 -0.025 20 0 CBADHO CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001276173403 828137324 /nfs/dbraw/zinc/13/73/24/828137324.db2.gz FSADAIRRTYOZIC-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO Cn1cncc1N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277769745 828208472 /nfs/dbraw/zinc/20/84/72/828208472.db2.gz QVILUKMTOBJTKS-BETUJISGSA-N 1 3 279.388 -0.129 20 0 CBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277864885 828215448 /nfs/dbraw/zinc/21/54/48/828215448.db2.gz NRRFEAJBQRWZKT-VXGBXAGGSA-N 1 3 295.383 -0.308 20 0 CBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277864885 828215452 /nfs/dbraw/zinc/21/54/52/828215452.db2.gz NRRFEAJBQRWZKT-VXGBXAGGSA-N 1 3 295.383 -0.308 20 0 CBADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277960073 828223170 /nfs/dbraw/zinc/22/31/70/828223170.db2.gz YXRMUNKYJCAQOP-IJLUTSLNSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277960073 828223174 /nfs/dbraw/zinc/22/31/74/828223174.db2.gz YXRMUNKYJCAQOP-IJLUTSLNSA-N 1 3 267.373 -0.491 20 0 CBADHO C[NH+](C)CCN1CCO[C@H]2CN(CC(C)(C)CO)C[C@@H]21 ZINC001277968556 828224312 /nfs/dbraw/zinc/22/43/12/828224312.db2.gz VXYLTQHHFQEOHF-KBPBESRZSA-N 1 3 285.432 -0.049 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCO)N(C)C ZINC001277982931 828226743 /nfs/dbraw/zinc/22/67/43/828226743.db2.gz YVENQGGONAFRBI-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(N)=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278032192 828232632 /nfs/dbraw/zinc/23/26/32/828232632.db2.gz JCVIKSKOGLDYQW-AVGNSLFASA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCO ZINC001278520907 828272782 /nfs/dbraw/zinc/27/27/82/828272782.db2.gz KDHURKOMLAVZHO-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO COCC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001349817068 890899184 /nfs/dbraw/zinc/89/91/84/890899184.db2.gz GOIKVHAVYSAMNT-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCNCC(=O)N1CCC([NH2+]CCOC)CC1 ZINC001327448293 885357933 /nfs/dbraw/zinc/35/79/33/885357933.db2.gz GZJBDYGLJXTGMJ-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001328073135 885567495 /nfs/dbraw/zinc/56/74/95/885567495.db2.gz UXBSQYPLZMDDCA-WDEREUQCSA-N 1 3 253.346 -0.295 20 0 CBADHO C[NH2+]CCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001329371678 886035260 /nfs/dbraw/zinc/03/52/60/886035260.db2.gz UDKUOYZZPDPCNS-LLVKDONJSA-N 1 3 266.349 -0.490 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001331321952 886776391 /nfs/dbraw/zinc/77/63/91/886776391.db2.gz GBAGWOKKJSZPGN-QCNOEVLYSA-N 1 3 255.362 -0.064 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001331321953 886776581 /nfs/dbraw/zinc/77/65/81/886776581.db2.gz GBAGWOKKJSZPGN-USZNOCQGSA-N 1 3 255.362 -0.064 20 0 CBADHO COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001331712370 886927236 /nfs/dbraw/zinc/92/72/36/886927236.db2.gz OBTQBULNFYFLGR-OLZOCXBDSA-N 1 3 287.404 -0.428 20 0 CBADHO CCOCCN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331834409 887006244 /nfs/dbraw/zinc/00/62/44/887006244.db2.gz HLZGUPIAHHYLJS-RYUDHWBXSA-N 1 3 273.377 -0.959 20 0 CBADHO CCOCCN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331834409 887006251 /nfs/dbraw/zinc/00/62/51/887006251.db2.gz HLZGUPIAHHYLJS-RYUDHWBXSA-N 1 3 273.377 -0.959 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001333177133 887553349 /nfs/dbraw/zinc/55/33/49/887553349.db2.gz CUVYWSNUYSSAMX-HTQZYQBOSA-N 1 3 251.277 -0.536 20 0 CBADHO COCCNCC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336689767 888846364 /nfs/dbraw/zinc/84/63/64/888846364.db2.gz SIKFPXYEMUHKQU-UHFFFAOYSA-N 1 3 285.388 -0.407 20 0 CBADHO CN(C)[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CC1 ZINC001336738939 888864280 /nfs/dbraw/zinc/86/42/80/888864280.db2.gz IXEKGUZXAVEUOD-HUUCEWRRSA-N 1 3 284.448 -0.476 20 0 CBADHO COCC[C@H]([NH3+])C(=O)N[C@H]1CCN(CCOC)C1 ZINC001336977999 888939549 /nfs/dbraw/zinc/93/95/49/888939549.db2.gz OGVKLAIIDBTALV-QWRGUYRKSA-N 1 3 259.350 -0.813 20 0 CBADHO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001338534208 889172446 /nfs/dbraw/zinc/17/24/46/889172446.db2.gz CXMGGJXGXUPOPY-RBSFLKMASA-N 1 3 284.448 -0.333 20 0 CBADHO C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001338627709 889182909 /nfs/dbraw/zinc/18/29/09/889182909.db2.gz XBWFJFOTFWRJRW-RYUDHWBXSA-N 1 3 270.377 -0.554 20 0 CBADHO [NH3+]CC1(C(=O)NCCN2CCCCC2)CC(O)C1 ZINC001340789289 889487309 /nfs/dbraw/zinc/48/73/09/889487309.db2.gz JSENLWCLFCGLMX-UHFFFAOYSA-N 1 3 255.362 -0.312 20 0 CBADHO C[NH2+]C1CC(C(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC001340852575 889498064 /nfs/dbraw/zinc/49/80/64/889498064.db2.gz HZTNDLVSDVDMQV-CXQJBGSLSA-N 1 3 255.362 -0.179 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001340942969 889519177 /nfs/dbraw/zinc/51/91/77/889519177.db2.gz GKWCLFYYIYWTOJ-WDEREUQCSA-N 1 3 254.378 -0.606 20 0 CBADHO CC1CCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001341556254 889623861 /nfs/dbraw/zinc/62/38/61/889623861.db2.gz XSTAVSFZEKRHSM-OCCSQVGLSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341620873 889634044 /nfs/dbraw/zinc/63/40/44/889634044.db2.gz ZUOBLAIJUINKLS-NTZNESFSSA-N 1 3 255.362 -0.443 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C1CNCCS1(=O)=O ZINC001341632404 889636978 /nfs/dbraw/zinc/63/69/78/889636978.db2.gz UHMUMCZPVMOJQL-NSHDSACASA-N 1 3 291.417 -0.779 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001341753646 889657418 /nfs/dbraw/zinc/65/74/18/889657418.db2.gz SMGWKKPTYQMENG-MFKMUULPSA-N 1 3 269.345 -0.521 20 0 CBADHO COC1(C(=O)N[C@H]2COC3(CNC3)C2)CC[NH2+]CC1 ZINC001342113300 889713405 /nfs/dbraw/zinc/71/34/05/889713405.db2.gz PHVYGDXKFGIFLY-SNVBAGLBSA-N 1 3 269.345 -0.998 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3CNCCO3)[C@H]2C1 ZINC001342148613 889720855 /nfs/dbraw/zinc/72/08/55/889720855.db2.gz UKEJKXXZBWXNRN-RNJOBUHISA-N 1 3 267.373 -0.179 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3CNCCO3)[C@H]2C1 ZINC001342148613 889720863 /nfs/dbraw/zinc/72/08/63/889720863.db2.gz UKEJKXXZBWXNRN-RNJOBUHISA-N 1 3 267.373 -0.179 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC ZINC001443985134 912319767 /nfs/dbraw/zinc/31/97/67/912319767.db2.gz UXLPNYRDJQNBPY-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CCCN(C)CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444077340 912352047 /nfs/dbraw/zinc/35/20/47/912352047.db2.gz BFVQSXBOMBCNAD-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CC[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)CC[C@@H]1[NH3+] ZINC001343486547 889920259 /nfs/dbraw/zinc/92/02/59/889920259.db2.gz KXLSQLFKZCEOKH-WOPDTQHZSA-N 1 3 254.378 -0.524 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001444313119 912423557 /nfs/dbraw/zinc/42/35/57/912423557.db2.gz YDTIPZWMZKSQNH-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001444429457 912447636 /nfs/dbraw/zinc/44/76/36/912447636.db2.gz CKUOPZFWTWDKNA-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444701243 912493205 /nfs/dbraw/zinc/49/32/05/912493205.db2.gz YLFVSUOJHJZJLK-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001445200529 912599915 /nfs/dbraw/zinc/59/99/15/912599915.db2.gz UBPQEMCDNXFBNS-NWDGAFQWSA-N 1 3 287.404 -0.428 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445332747 912638055 /nfs/dbraw/zinc/63/80/55/912638055.db2.gz YQINNISRVVIZIM-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445332747 912638060 /nfs/dbraw/zinc/63/80/60/912638060.db2.gz YQINNISRVVIZIM-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426130 884676397 /nfs/dbraw/zinc/67/63/97/884676397.db2.gz DAXQCTCGFVEPJC-UHFFFAOYSA-N 1 3 275.393 -0.305 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179764275 884709353 /nfs/dbraw/zinc/70/93/53/884709353.db2.gz XLQHIJMWFUADKF-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001188158233 884722126 /nfs/dbraw/zinc/72/21/26/884722126.db2.gz ISGQVJBKYGKZDB-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001210811626 884766223 /nfs/dbraw/zinc/76/62/23/884766223.db2.gz PJRBIGIPNFENAS-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001326165138 884930338 /nfs/dbraw/zinc/93/03/38/884930338.db2.gz IQGGLBDLWDGWHH-NXEZZACHSA-N 1 3 261.391 -0.357 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001446435032 912880331 /nfs/dbraw/zinc/88/03/31/912880331.db2.gz OCOHBDZUMNFHOW-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC001326372342 885006025 /nfs/dbraw/zinc/00/60/25/885006025.db2.gz QUYZJKOFCIWSCI-MCIONIFRSA-N 1 3 280.416 -0.119 20 0 CBADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CCC1 ZINC001446758090 912937961 /nfs/dbraw/zinc/93/79/61/912937961.db2.gz MVRNWFKPGPGCSB-CQSZACIVSA-N 1 3 299.415 -0.594 20 0 CBADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CCC1 ZINC001446758090 912937976 /nfs/dbraw/zinc/93/79/76/912937976.db2.gz MVRNWFKPGPGCSB-CQSZACIVSA-N 1 3 299.415 -0.594 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001446788191 912950328 /nfs/dbraw/zinc/95/03/28/912950328.db2.gz BCERVYVKUKUPNS-OCCSQVGLSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446788191 912950341 /nfs/dbraw/zinc/95/03/41/912950341.db2.gz BCERVYVKUKUPNS-OCCSQVGLSA-N 1 3 287.404 -0.738 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001328340305 885641750 /nfs/dbraw/zinc/64/17/50/885641750.db2.gz RRDPJNDXACDVFU-YUMQZZPRSA-N 1 3 251.277 -0.455 20 0 CBADHO O[C@@H]1CCC[C@H]1N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC001328438518 885687689 /nfs/dbraw/zinc/68/76/89/885687689.db2.gz ZTUJOXHHXHTDGR-BFHYXJOUSA-N 1 3 269.389 -0.494 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328455021 885692673 /nfs/dbraw/zinc/69/26/73/885692673.db2.gz MVRAKQNSECWDJR-KBPBESRZSA-N 1 3 298.431 -0.506 20 0 CBADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001328506225 885711730 /nfs/dbraw/zinc/71/17/30/885711730.db2.gz BJZNQIAKAONLJY-NSHDSACASA-N 1 3 253.346 -0.423 20 0 CBADHO c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@H]1CNCCO1 ZINC001329244871 885978356 /nfs/dbraw/zinc/97/83/56/885978356.db2.gz FUCUWHBZUKKGBD-ZYHUDNBSSA-N 1 3 251.334 -0.582 20 0 CBADHO C[NH2+]CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001329371679 886035494 /nfs/dbraw/zinc/03/54/94/886035494.db2.gz UDKUOYZZPDPCNS-NSHDSACASA-N 1 3 266.349 -0.490 20 0 CBADHO CC(C)(CO)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001329578903 886131134 /nfs/dbraw/zinc/13/11/34/886131134.db2.gz HWPOXXSTQAQDEU-UHFFFAOYSA-N 1 3 270.421 -0.720 20 0 CBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC001329802035 886210770 /nfs/dbraw/zinc/21/07/70/886210770.db2.gz YYUCFYKKIQGZSF-GARJFASQSA-N 1 3 279.406 -0.732 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001330593535 886492268 /nfs/dbraw/zinc/49/22/68/886492268.db2.gz RANHMEMDHGMNGU-SNVBAGLBSA-N 1 3 251.334 -0.249 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(CC[NH3+])CC(F)(F)F ZINC001330916064 886623441 /nfs/dbraw/zinc/62/34/41/886623441.db2.gz DYFZWUJTNLUKJE-ZETCQYMHSA-N 1 3 256.272 -0.775 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001331337024 886780436 /nfs/dbraw/zinc/78/04/36/886780436.db2.gz VNNGKLGNIHJJBI-OLZOCXBDSA-N 1 3 263.341 -0.209 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447536154 913094303 /nfs/dbraw/zinc/09/43/03/913094303.db2.gz DYDCCSVTPFULOI-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1cnnn1C ZINC001447547031 913096129 /nfs/dbraw/zinc/09/61/29/913096129.db2.gz TUCIRSWUNVTSPY-AAEUAGOBSA-N 1 3 294.403 -0.297 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCCN(C)C1CC1 ZINC001331949067 887058175 /nfs/dbraw/zinc/05/81/75/887058175.db2.gz NXSGDXNJSNSJKK-VIFPVBQESA-N 1 3 256.350 -0.950 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC001331966157 887068975 /nfs/dbraw/zinc/06/89/75/887068975.db2.gz QRWBSGLGKJTMFK-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)CCC[NH3+])C2)nn1 ZINC001332275488 887181064 /nfs/dbraw/zinc/18/10/64/887181064.db2.gz CKCCSRLGWOLMBA-NSHDSACASA-N 1 3 266.349 -0.361 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCCCN1CC[NH2+]CC1 ZINC001332393495 887255157 /nfs/dbraw/zinc/25/51/57/887255157.db2.gz HZPBWCUNKANENP-VIFPVBQESA-N 1 3 264.320 -0.620 20 0 CBADHO [NH3+][C@@H]1C[C@@H](NC[C@H](O)Cn2ccnn2)C12CCC2 ZINC001332419228 887270005 /nfs/dbraw/zinc/27/00/05/887270005.db2.gz BIYYUZWYSWWEGR-HBNTYKKESA-N 1 3 251.334 -0.502 20 0 CBADHO N[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C12CCC2 ZINC001332419228 887270021 /nfs/dbraw/zinc/27/00/21/887270021.db2.gz BIYYUZWYSWWEGR-HBNTYKKESA-N 1 3 251.334 -0.502 20 0 CBADHO COCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001332567308 887359474 /nfs/dbraw/zinc/35/94/74/887359474.db2.gz UOKQGRLDRLXOMJ-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO NCC(C[NH3+])NCc1nnc(C2CC2)n1C1CC1 ZINC001332815224 887438312 /nfs/dbraw/zinc/43/83/12/887438312.db2.gz GHURJNBIQROIPA-UHFFFAOYSA-N 1 3 250.350 -0.134 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001333177134 887552869 /nfs/dbraw/zinc/55/28/69/887552869.db2.gz CUVYWSNUYSSAMX-JGVFFNPUSA-N 1 3 251.277 -0.536 20 0 CBADHO CN(CCCO)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001333582128 887703766 /nfs/dbraw/zinc/70/37/66/887703766.db2.gz JYBAMKFRNQOCGC-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO Cc1ccc2nc(CNC(CN)C[NH3+])cc(=O)n2c1 ZINC001334337849 887925051 /nfs/dbraw/zinc/92/50/51/887925051.db2.gz MZEPWRMJWXHYRU-UHFFFAOYSA-N 1 3 261.329 -0.621 20 0 CBADHO NCC(C[NH3+])NC[C@@H](O)COc1ccccc1F ZINC001334336940 887925154 /nfs/dbraw/zinc/92/51/54/887925154.db2.gz FTVSEAKIZSACMD-SNVBAGLBSA-N 1 3 257.309 -0.559 20 0 CBADHO CC[C@H](O)C[NH2+]CC(=O)NCCN1CCCCC1 ZINC001335450699 888538354 /nfs/dbraw/zinc/53/83/54/888538354.db2.gz HUGYWFNOHJQEQN-LBPRGKRZSA-N 1 3 257.378 -0.051 20 0 CBADHO CC(=O)N1CCN(CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC001335934848 888658162 /nfs/dbraw/zinc/65/81/62/888658162.db2.gz SSPUOACLDMNDCO-OAHLLOKOSA-N 1 3 298.431 -0.803 20 0 CBADHO C[C@@H](NCc1cn(CC(N)=O)nn1)C1CC[NH2+]CC1 ZINC001335948076 888660754 /nfs/dbraw/zinc/66/07/54/888660754.db2.gz MOGKJARXWBCKPD-SECBINFHSA-N 1 3 266.349 -0.759 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336990775 888944661 /nfs/dbraw/zinc/94/46/61/888944661.db2.gz PBEJCDVIZUBVRC-SBFPOUOMSA-N 1 3 268.361 -0.755 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337485206 889019470 /nfs/dbraw/zinc/01/94/70/889019470.db2.gz KLHGPQHITOYJQG-GRYCIOLGSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001448517447 913313907 /nfs/dbraw/zinc/31/39/07/913313907.db2.gz QVXCROLPHWTBLD-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001448504651 913314476 /nfs/dbraw/zinc/31/44/76/913314476.db2.gz VQXMRZJFEQYZGP-XYPYZODXSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@@H]1Cc2cncn2C1)C1CC1 ZINC001338549395 889172724 /nfs/dbraw/zinc/17/27/24/889172724.db2.gz IHJZACMQQDNSQU-MFKMUULPSA-N 1 3 250.346 -0.148 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@@H]1Cc2cncn2C1)C1CC1 ZINC001338549395 889172730 /nfs/dbraw/zinc/17/27/30/889172730.db2.gz IHJZACMQQDNSQU-MFKMUULPSA-N 1 3 250.346 -0.148 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1CNCCO1)C2 ZINC001338640726 889184489 /nfs/dbraw/zinc/18/44/89/889184489.db2.gz JEGMBAPXUCETCR-FIQHERPVSA-N 1 3 268.361 -0.504 20 0 CBADHO C[C@@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CCN1 ZINC001338686049 889191530 /nfs/dbraw/zinc/19/15/30/889191530.db2.gz AMGFRPQUKOFUCI-LLVKDONJSA-N 1 3 269.393 -0.587 20 0 CBADHO CN1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340133355 889391418 /nfs/dbraw/zinc/39/14/18/889391418.db2.gz KGPQJGXAVSKBOE-CYBMUJFWSA-N 1 3 255.362 -0.345 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001340652988 889460264 /nfs/dbraw/zinc/46/02/64/889460264.db2.gz QAIDMGSOXWPMAX-NEPJUHHUSA-N 1 3 266.389 -0.319 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001340917160 889514344 /nfs/dbraw/zinc/51/43/44/889514344.db2.gz XWAAYEANQAGFTR-TUAOUCFPSA-N 1 3 257.378 -0.341 20 0 CBADHO C[C@]1(C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H](O)C[NH2+]1 ZINC001340843658 889495959 /nfs/dbraw/zinc/49/59/59/889495959.db2.gz JULZGRUGOSUEJX-SGMGOOAPSA-N 1 3 267.373 -0.204 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854263 889498342 /nfs/dbraw/zinc/49/83/42/889498342.db2.gz PYUNLROBVJKQBL-QNWHQSFQSA-N 1 3 267.373 -0.321 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001340941382 889518781 /nfs/dbraw/zinc/51/87/81/889518781.db2.gz SRJZOBWRUGXNMS-NTZNESFSSA-N 1 3 252.362 -0.709 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)C[C@H]1CC[NH3+] ZINC001341024244 889532838 /nfs/dbraw/zinc/53/28/38/889532838.db2.gz FGFUFBMRQVXFKN-UTUOFQBUSA-N 1 3 254.378 -0.667 20 0 CBADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC2(CC1)CNCCO2 ZINC001341322768 889574024 /nfs/dbraw/zinc/57/40/24/889574024.db2.gz FMSSSJWBZTWQAS-UTUOFQBUSA-N 1 3 265.357 -0.282 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001341447627 889597986 /nfs/dbraw/zinc/59/79/86/889597986.db2.gz LROUUGFXQZUKJM-SCRDCRAPSA-N 1 3 266.389 -0.380 20 0 CBADHO [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1=O ZINC001341587028 889628862 /nfs/dbraw/zinc/62/88/62/889628862.db2.gz SQDAZVSFWLDPCW-YPMHNXCESA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341620871 889634671 /nfs/dbraw/zinc/63/46/71/889634671.db2.gz ZUOBLAIJUINKLS-NQBHXWOUSA-N 1 3 255.362 -0.443 20 0 CBADHO COCCNCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341708177 889653049 /nfs/dbraw/zinc/65/30/49/889653049.db2.gz HEKHLAQTGOGDJX-BDAKNGLRSA-N 1 3 283.294 -0.040 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341733047 889654129 /nfs/dbraw/zinc/65/41/29/889654129.db2.gz NTIZYLBQTVDNLG-SGESHTKJSA-N 1 3 267.373 -0.302 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341733051 889654952 /nfs/dbraw/zinc/65/49/52/889654952.db2.gz NTIZYLBQTVDNLG-XVSYOHENSA-N 1 3 267.373 -0.302 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001341951781 889689600 /nfs/dbraw/zinc/68/96/00/889689600.db2.gz RVMZUFRZSISZKK-NWDGAFQWSA-N 1 3 267.373 -0.035 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448770429 913373255 /nfs/dbraw/zinc/37/32/55/913373255.db2.gz JRWJYTGJUQQHCG-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001342126594 889713665 /nfs/dbraw/zinc/71/36/65/889713665.db2.gz QLLCLULFYPDEMQ-SDDRHHMPSA-N 1 3 265.357 -0.236 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)C1=CCC[NH2+]CC1 ZINC001342126314 889713777 /nfs/dbraw/zinc/71/37/77/889713777.db2.gz QCMXYYKETNXYMO-NSHDSACASA-N 1 3 251.330 -0.457 20 0 CBADHO C[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCC[NH2+]C1 ZINC001342125554 889714754 /nfs/dbraw/zinc/71/47/54/889714754.db2.gz KZNYASCWGAKELG-ZYHUDNBSSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001342127143 889714867 /nfs/dbraw/zinc/71/48/67/889714867.db2.gz SWHUFUHVTJTLJV-MNOVXSKESA-N 1 3 253.346 -0.377 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001342190680 889729892 /nfs/dbraw/zinc/72/98/92/889729892.db2.gz TYCXQLCRPWEDRZ-WZRBSPASSA-N 1 3 252.362 -0.770 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001342190677 889730655 /nfs/dbraw/zinc/73/06/55/889730655.db2.gz TYCXQLCRPWEDRZ-DMDPSCGWSA-N 1 3 252.362 -0.770 20 0 CBADHO CCN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC001342274826 889744531 /nfs/dbraw/zinc/74/45/31/889744531.db2.gz APOSSECGMOJEOC-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)CCN1C ZINC001342649977 889809884 /nfs/dbraw/zinc/80/98/84/889809884.db2.gz QDCCAYNMGLEBCR-IJLUTSLNSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CCN1C ZINC001342649978 889811391 /nfs/dbraw/zinc/81/13/91/889811391.db2.gz QDCCAYNMGLEBCR-UTUOFQBUSA-N 1 3 267.373 -0.036 20 0 CBADHO O=C(C[NH2+]C1CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001342695835 889818797 /nfs/dbraw/zinc/81/87/97/889818797.db2.gz KYCQKSNHXLXLFW-OLZOCXBDSA-N 1 3 267.373 -0.204 20 0 CBADHO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](N)C(C)(C)O)C[C@]2(C)C1 ZINC001342994803 889851221 /nfs/dbraw/zinc/85/12/21/889851221.db2.gz PTWOTOMUVJGFHZ-BREBYQMCSA-N 1 3 255.362 -0.505 20 0 CBADHO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](N)C(C)(C)O)C[C@]2(C)C1 ZINC001342994803 889851232 /nfs/dbraw/zinc/85/12/32/889851232.db2.gz PTWOTOMUVJGFHZ-BREBYQMCSA-N 1 3 255.362 -0.505 20 0 CBADHO COCC[NH2+]CC(=O)N1CCNC[C@@H]1CCOC ZINC001342996508 889856463 /nfs/dbraw/zinc/85/64/63/889856463.db2.gz ZVHPCMSRRLHQEP-NSHDSACASA-N 1 3 259.350 -0.941 20 0 CBADHO CC[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)CC[C@H]1[NH3+] ZINC001343486546 889918049 /nfs/dbraw/zinc/91/80/49/889918049.db2.gz KXLSQLFKZCEOKH-UTUOFQBUSA-N 1 3 254.378 -0.524 20 0 CBADHO COC[C@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCN1 ZINC001343574283 889934071 /nfs/dbraw/zinc/93/40/71/889934071.db2.gz IKUMAZBVYMKSIB-SFTQSGBHSA-N 1 3 267.373 -0.179 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC001343623432 889942273 /nfs/dbraw/zinc/94/22/73/889942273.db2.gz HRKIQHQCPQNGKW-MXWKQRLJSA-N 1 3 268.361 -0.998 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343713562 889952887 /nfs/dbraw/zinc/95/28/87/889952887.db2.gz GWKPLBPTGUKWNX-RYUDHWBXSA-N 1 3 254.378 -0.604 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001344504672 890033973 /nfs/dbraw/zinc/03/39/73/890033973.db2.gz HUROBEAVRCJPCB-NRUUGDAUSA-N 1 3 269.345 -0.332 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H](C)N)C2 ZINC001344666799 890051373 /nfs/dbraw/zinc/05/13/73/890051373.db2.gz MXEFEJJPXFJQFA-SREGZZRCSA-N 1 3 255.318 -0.928 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC001344876496 890076513 /nfs/dbraw/zinc/07/65/13/890076513.db2.gz GERFNURHPZMPRT-XZUYRWCXSA-N 1 3 253.346 -0.569 20 0 CBADHO C[C@H]1CN(C(=O)c2c(CN)cnn2C)CC[C@@H]1C[NH3+] ZINC001345010808 890089438 /nfs/dbraw/zinc/08/94/38/890089438.db2.gz KZLBLXWVUMGLLL-VHSXEESVSA-N 1 3 265.361 -0.064 20 0 CBADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCO)N1CCCCC1 ZINC001448846569 913422378 /nfs/dbraw/zinc/42/23/78/913422378.db2.gz RXJZLFWOURXJJU-LBPRGKRZSA-N 1 3 287.404 -0.690 20 0 CBADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]CCO)N1CCCCC1 ZINC001448846563 913423605 /nfs/dbraw/zinc/42/36/05/913423605.db2.gz RXJZLFWOURXJJU-GFCCVEGCSA-N 1 3 287.404 -0.690 20 0 CBADHO C([C@@H]1CNCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001347145860 890416213 /nfs/dbraw/zinc/41/62/13/890416213.db2.gz QPAQDANGUSHEAM-KBPBESRZSA-N 1 3 269.389 -0.371 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449025695 913482817 /nfs/dbraw/zinc/48/28/17/913482817.db2.gz VDHANNKDAAGATP-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001349227832 890781011 /nfs/dbraw/zinc/78/10/11/890781011.db2.gz MGXKOCZAMARVMA-GHMZBOCLSA-N 1 3 253.346 -0.377 20 0 CBADHO NCc1cn([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399169 890807178 /nfs/dbraw/zinc/80/71/78/890807178.db2.gz YUIHCGOFOZBYLY-WCQYABFASA-N 1 3 264.377 -0.017 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001349807118 890894112 /nfs/dbraw/zinc/89/41/12/890894112.db2.gz CIZOORQJVHRFNN-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH2+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001350324211 890963422 /nfs/dbraw/zinc/96/34/22/890963422.db2.gz XLOULMLQHVTMEL-UHFFFAOYSA-N 1 3 268.321 -0.950 20 0 CBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001449150545 913521973 /nfs/dbraw/zinc/52/19/73/913521973.db2.gz ZZJALDVRBPNPGJ-CYBMUJFWSA-N 1 3 297.403 -0.719 20 0 CBADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H](N)CC[NH+](C)C ZINC001352862019 891314094 /nfs/dbraw/zinc/31/40/94/891314094.db2.gz LRCDQRIDPFUSIT-XQQFMLRXSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001353292085 891394853 /nfs/dbraw/zinc/39/48/53/891394853.db2.gz ICQLPNAMJPYYCU-NQBHXWOUSA-N 1 3 294.399 -0.394 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353325806 891404447 /nfs/dbraw/zinc/40/44/47/891404447.db2.gz YTFVCUAANFSLSJ-HAQNSBGRSA-N 1 3 282.388 -0.606 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353449095 891428107 /nfs/dbraw/zinc/42/81/07/891428107.db2.gz ZNTDZQUJQPLBGF-WZRBSPASSA-N 1 3 255.362 -0.300 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001353449094 891428718 /nfs/dbraw/zinc/42/87/18/891428718.db2.gz ZNTDZQUJQPLBGF-NTZNESFSSA-N 1 3 255.362 -0.300 20 0 CBADHO CCN1CCN(CCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001353582872 891450716 /nfs/dbraw/zinc/45/07/16/891450716.db2.gz PNGZRVFUSYZQJM-UHFFFAOYSA-N 1 3 266.389 -0.508 20 0 CBADHO CS(=O)(=O)C[C@H](O)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC001354238543 891545711 /nfs/dbraw/zinc/54/57/11/891545711.db2.gz XGDWYKJHRHPZDQ-AXFHLTTASA-N 1 3 264.391 -0.501 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001354524325 891589670 /nfs/dbraw/zinc/58/96/70/891589670.db2.gz VMEZXYCAXIGHTI-JHJVBQTASA-N 1 3 266.389 -0.557 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001354524325 891589681 /nfs/dbraw/zinc/58/96/81/891589681.db2.gz VMEZXYCAXIGHTI-JHJVBQTASA-N 1 3 266.389 -0.557 20 0 CBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001449399402 913576854 /nfs/dbraw/zinc/57/68/54/913576854.db2.gz GWWCBDMSLUXHTI-VQXHTEKXSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001354894267 891627392 /nfs/dbraw/zinc/62/73/92/891627392.db2.gz UAHXJSZVAXXFBM-NNYUYHANSA-N 1 3 255.362 -0.038 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C[C@@H]1CNCCO1 ZINC001355598856 891696226 /nfs/dbraw/zinc/69/62/26/891696226.db2.gz IVZAGUFKMVLBNX-NQBHXWOUSA-N 1 3 253.346 -0.295 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001356412503 891757697 /nfs/dbraw/zinc/75/76/97/891757697.db2.gz KFTAQUJJSDEANZ-FIQHERPVSA-N 1 3 255.362 -0.193 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001356412503 891757704 /nfs/dbraw/zinc/75/77/04/891757704.db2.gz KFTAQUJJSDEANZ-FIQHERPVSA-N 1 3 255.362 -0.193 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)CN1 ZINC001357443558 891895445 /nfs/dbraw/zinc/89/54/45/891895445.db2.gz CFAPPECGUXZPSO-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001357474910 891905251 /nfs/dbraw/zinc/90/52/51/891905251.db2.gz SDFHRLUKHSYDLZ-NEPJUHHUSA-N 1 3 254.378 -0.462 20 0 CBADHO [NH3+]CCCSCCC(=O)N[C@H]1COC2(CNC2)C1 ZINC001357845756 891940957 /nfs/dbraw/zinc/94/09/57/891940957.db2.gz IACNNRKLPVPUAS-SNVBAGLBSA-N 1 3 273.402 -0.294 20 0 CBADHO N[C@H]1CCCn2nc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc21 ZINC001357969743 891952792 /nfs/dbraw/zinc/95/27/92/891952792.db2.gz OBIFRJMJUVNXID-GUBZILKMSA-N 1 3 261.329 -0.137 20 0 CBADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001358082675 891967155 /nfs/dbraw/zinc/96/71/55/891967155.db2.gz VTEWQHGLOBZHJJ-LBPRGKRZSA-N 1 3 285.388 -0.503 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CCN1C ZINC001358187267 891979804 /nfs/dbraw/zinc/97/98/04/891979804.db2.gz VXBNCOSVLIAKCP-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO NC1(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC001358224516 891982404 /nfs/dbraw/zinc/98/24/04/891982404.db2.gz RBBVIECBAGQDGJ-SNVBAGLBSA-N 1 3 253.346 -0.166 20 0 CBADHO [NH3+]CC[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC001358252071 891987865 /nfs/dbraw/zinc/98/78/65/891987865.db2.gz UBZWPMVASCWXHS-VXGBXAGGSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001363200708 893450828 /nfs/dbraw/zinc/45/08/28/893450828.db2.gz ACLKCZFLJROOOJ-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363839528 894046705 /nfs/dbraw/zinc/04/67/05/894046705.db2.gz GVUBGNOPOHQWLF-DOMZBBRYSA-N 1 3 297.399 -0.109 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363839528 894046719 /nfs/dbraw/zinc/04/67/19/894046719.db2.gz GVUBGNOPOHQWLF-DOMZBBRYSA-N 1 3 297.399 -0.109 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001365811592 895126634 /nfs/dbraw/zinc/12/66/34/895126634.db2.gz ITPHIHPJOXGWTJ-UTUOFQBUSA-N 1 3 296.415 -0.171 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001366097349 895188597 /nfs/dbraw/zinc/18/85/97/895188597.db2.gz GVMMOZGLSAARPR-MELADBBJSA-N 1 3 299.415 -0.474 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366116025 895197648 /nfs/dbraw/zinc/19/76/48/895197648.db2.gz VHBWGWQCBVCPMR-XYPYZODXSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001366281499 895257802 /nfs/dbraw/zinc/25/78/02/895257802.db2.gz AWLROGLCHABJNL-ZYHUDNBSSA-N 1 3 284.404 -0.171 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001366288251 895261571 /nfs/dbraw/zinc/26/15/71/895261571.db2.gz PMZKJFNHSGUSDR-RYUDHWBXSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[C@H](N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308616 895266318 /nfs/dbraw/zinc/26/63/18/895266318.db2.gz ZXUJEVMBENSAEY-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001366320341 895275928 /nfs/dbraw/zinc/27/59/28/895275928.db2.gz ODLPPXCXBHHJSX-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001366320341 895275936 /nfs/dbraw/zinc/27/59/36/895275936.db2.gz ODLPPXCXBHHJSX-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334126 895280590 /nfs/dbraw/zinc/28/05/90/895280590.db2.gz LMZNPQONFNGCJB-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366358125 895290098 /nfs/dbraw/zinc/29/00/98/895290098.db2.gz NDMVLYQSBKAZDL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366358125 895290109 /nfs/dbraw/zinc/29/01/09/895290109.db2.gz NDMVLYQSBKAZDL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001366346524 895290582 /nfs/dbraw/zinc/29/05/82/895290582.db2.gz ULMVYQDYDRCSDH-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001366346524 895290598 /nfs/dbraw/zinc/29/05/98/895290598.db2.gz ULMVYQDYDRCSDH-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001366364348 895294333 /nfs/dbraw/zinc/29/43/33/895294333.db2.gz NXRWKRFNVGGVBS-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NCC(N)=O ZINC001366364064 895296063 /nfs/dbraw/zinc/29/60/63/895296063.db2.gz JPKCPIUQWHIVAG-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366392214 895307511 /nfs/dbraw/zinc/30/75/11/895307511.db2.gz XNQYRHKVJBTUNO-QWHCGFSZSA-N 1 3 296.415 -0.252 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001366411980 895315850 /nfs/dbraw/zinc/31/58/50/895315850.db2.gz SCFJKZSFNCFXIP-LLVKDONJSA-N 1 3 270.377 -0.748 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001366782153 895460320 /nfs/dbraw/zinc/46/03/20/895460320.db2.gz ZOKUXUMEAZTWRZ-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001366776206 895460511 /nfs/dbraw/zinc/46/05/11/895460511.db2.gz RSQGVLXKCPVYHY-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001366777687 895460561 /nfs/dbraw/zinc/46/05/61/895460561.db2.gz RYSPXSWHLWFADA-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001367034358 895543622 /nfs/dbraw/zinc/54/36/22/895543622.db2.gz AAJHKJZVKCYBKU-UPJWGTAASA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001367034358 895543628 /nfs/dbraw/zinc/54/36/28/895543628.db2.gz AAJHKJZVKCYBKU-UPJWGTAASA-N 1 3 285.388 -0.864 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001367128808 895570118 /nfs/dbraw/zinc/57/01/18/895570118.db2.gz RTXDFRZHGYOVAW-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCNC1=O ZINC001367138731 895575911 /nfs/dbraw/zinc/57/59/11/895575911.db2.gz MHKXYPOTXLLQNS-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001367221268 895584947 /nfs/dbraw/zinc/58/49/47/895584947.db2.gz POEXRXJSGSCQGN-GFCCVEGCSA-N 1 3 282.388 -0.463 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001367228284 895585284 /nfs/dbraw/zinc/58/52/84/895585284.db2.gz YUVWVORENOYUIJ-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367606782 895697563 /nfs/dbraw/zinc/69/75/63/895697563.db2.gz OOIVBSBXIJEOBO-NWDGAFQWSA-N 1 3 287.404 -0.692 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367625277 895712291 /nfs/dbraw/zinc/71/22/91/895712291.db2.gz DPVCBYMYXYZGQC-STQMWFEESA-N 1 3 287.404 -0.570 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001367645044 895721265 /nfs/dbraw/zinc/72/12/65/895721265.db2.gz RPRUPTQWXIPNSW-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001367678799 895740656 /nfs/dbraw/zinc/74/06/56/895740656.db2.gz VDFRFIQGODHBJU-AGIUHOORSA-N 1 3 298.431 -0.055 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001367686527 895743759 /nfs/dbraw/zinc/74/37/59/895743759.db2.gz GVGXSLHIONZPHK-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708734 895760301 /nfs/dbraw/zinc/76/03/01/895760301.db2.gz ZRJJURWAAUNCPL-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367708734 895760314 /nfs/dbraw/zinc/76/03/14/895760314.db2.gz ZRJJURWAAUNCPL-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915398 895854103 /nfs/dbraw/zinc/85/41/03/895854103.db2.gz ZSUYAXFDHRPCPH-MWLCHTKSSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001368198585 895934875 /nfs/dbraw/zinc/93/48/75/895934875.db2.gz XFTKGUZBTFRDFY-RISCZKNCSA-N 1 3 284.404 -0.360 20 0 CBADHO O=C(NC[C@]1(O)CCN(CCO)C1)C12CCC[NH+]1CCC2 ZINC001368261406 895950296 /nfs/dbraw/zinc/95/02/96/895950296.db2.gz NUBAUQIVCGWTOU-CQSZACIVSA-N 1 3 297.399 -0.840 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001368535644 896028853 /nfs/dbraw/zinc/02/88/53/896028853.db2.gz NSRGFVBVPWERON-TXEJJXNPSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001368537400 896030422 /nfs/dbraw/zinc/03/04/22/896030422.db2.gz WKMRONMDBGDSEU-JQWIXIFHSA-N 1 3 282.344 -0.850 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001368537409 896030886 /nfs/dbraw/zinc/03/08/86/896030886.db2.gz WKMRONMDBGDSEU-ZYHUDNBSSA-N 1 3 282.344 -0.850 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001368656346 896056997 /nfs/dbraw/zinc/05/69/97/896056997.db2.gz OMJOFFDRFPCASV-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368868973 896101581 /nfs/dbraw/zinc/10/15/81/896101581.db2.gz PLNUBANAXKLIIC-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368868918 896101917 /nfs/dbraw/zinc/10/19/17/896101917.db2.gz PLNUBANAXKLIIC-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880511 896104621 /nfs/dbraw/zinc/10/46/21/896104621.db2.gz FGXPRKDSHDNGHN-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880517 896105376 /nfs/dbraw/zinc/10/53/76/896105376.db2.gz FGXPRKDSHDNGHN-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452810328 914036238 /nfs/dbraw/zinc/03/62/38/914036238.db2.gz GZJLYMSALMGLMZ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452810328 914036257 /nfs/dbraw/zinc/03/62/57/914036257.db2.gz GZJLYMSALMGLMZ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001369269836 896185428 /nfs/dbraw/zinc/18/54/28/896185428.db2.gz FHUHREUUCDWJAS-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001369283458 896188401 /nfs/dbraw/zinc/18/84/01/896188401.db2.gz AWZVPHUBTQZMFO-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001369283458 896188405 /nfs/dbraw/zinc/18/84/05/896188405.db2.gz AWZVPHUBTQZMFO-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299850 896191276 /nfs/dbraw/zinc/19/12/76/896191276.db2.gz CGZFTDUUBCHLCR-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299850 896191279 /nfs/dbraw/zinc/19/12/79/896191279.db2.gz CGZFTDUUBCHLCR-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452819624 914042393 /nfs/dbraw/zinc/04/23/93/914042393.db2.gz ZXYLXGPDIZJFSL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452819624 914042407 /nfs/dbraw/zinc/04/24/07/914042407.db2.gz ZXYLXGPDIZJFSL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001369307553 896196144 /nfs/dbraw/zinc/19/61/44/896196144.db2.gz HTVYYJFRSQLLPU-CHWSQXEVSA-N 1 3 298.431 -0.006 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369312473 896201153 /nfs/dbraw/zinc/20/11/53/896201153.db2.gz ZUXICFUHZNKASH-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369312473 896201163 /nfs/dbraw/zinc/20/11/63/896201163.db2.gz ZUXICFUHZNKASH-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001369405366 896261938 /nfs/dbraw/zinc/26/19/38/896261938.db2.gz OLFLXGXWTRWLFQ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230158 896413868 /nfs/dbraw/zinc/41/38/68/896413868.db2.gz VBIZRZXYQYGGKK-ZYHUDNBSSA-N 1 3 282.388 -0.702 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001370390401 896423876 /nfs/dbraw/zinc/42/38/76/896423876.db2.gz MNJYNCGXYIIQPW-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370665180 896469479 /nfs/dbraw/zinc/46/94/79/896469479.db2.gz MROIYNZHSLNYNA-TXEJJXNPSA-N 1 3 294.403 -0.106 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001370676714 896476258 /nfs/dbraw/zinc/47/62/58/896476258.db2.gz JQIFXXMFYXUROK-QNWHQSFQSA-N 1 3 296.415 -0.301 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001370709794 896483680 /nfs/dbraw/zinc/48/36/80/896483680.db2.gz DSOKNHAILLANRG-NNYUYHANSA-N 1 3 284.404 -0.302 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001370716683 896487313 /nfs/dbraw/zinc/48/73/13/896487313.db2.gz YDOHJQZGWTVQRT-BETUJISGSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001371346711 896597039 /nfs/dbraw/zinc/59/70/39/896597039.db2.gz MVERXRAJAZAGPU-JTQLQIEISA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001371533114 896628929 /nfs/dbraw/zinc/62/89/29/896628929.db2.gz QSJPOZZZTNLLAR-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001371661510 896647077 /nfs/dbraw/zinc/64/70/77/896647077.db2.gz WONUTKZRMHGEQF-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)N(C)C ZINC001371824954 896666156 /nfs/dbraw/zinc/66/61/56/896666156.db2.gz HSCSXBRMQOOLCH-ZYHUDNBSSA-N 1 3 272.393 -0.458 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)CCc1cnn(C)c1 ZINC001372146747 896735038 /nfs/dbraw/zinc/73/50/38/896735038.db2.gz AVAGBZZKHALLQB-UHFFFAOYSA-N 1 3 281.404 -0.038 20 0 CBADHO COC[C@H](O)C[N@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001372774815 896858831 /nfs/dbraw/zinc/85/88/31/896858831.db2.gz GBXLZFPAXNNBGK-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001372774815 896858847 /nfs/dbraw/zinc/85/88/47/896858847.db2.gz GBXLZFPAXNNBGK-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001372966352 896918243 /nfs/dbraw/zinc/91/82/43/896918243.db2.gz GOJJWKDLVLMEBY-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001372951435 896912117 /nfs/dbraw/zinc/91/21/17/896912117.db2.gz VKNQHNFWTJFWJV-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946259 896912552 /nfs/dbraw/zinc/91/25/52/896912552.db2.gz MCBAMLRDFIJLAF-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946259 896912558 /nfs/dbraw/zinc/91/25/58/896912558.db2.gz MCBAMLRDFIJLAF-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](O)CN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373605458 897070576 /nfs/dbraw/zinc/07/05/76/897070576.db2.gz DMTMZXCVQBURBZ-OLZOCXBDSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(N)=O ZINC001373821243 897131079 /nfs/dbraw/zinc/13/10/79/897131079.db2.gz MSBXOLOENRRBPS-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896721 897134003 /nfs/dbraw/zinc/13/40/03/897134003.db2.gz JOCYMSYIBLYSEV-ABAIWWIYSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896721 897134011 /nfs/dbraw/zinc/13/40/11/897134011.db2.gz JOCYMSYIBLYSEV-ABAIWWIYSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896732 897135517 /nfs/dbraw/zinc/13/55/17/897135517.db2.gz JOCYMSYIBLYSEV-IAQYHMDHSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896732 897135525 /nfs/dbraw/zinc/13/55/25/897135525.db2.gz JOCYMSYIBLYSEV-IAQYHMDHSA-N 1 3 296.415 -0.312 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001374099054 897171440 /nfs/dbraw/zinc/17/14/40/897171440.db2.gz QBHVUMRKTOQMIE-WDEREUQCSA-N 1 3 272.393 -0.586 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374271410 897202779 /nfs/dbraw/zinc/20/27/79/897202779.db2.gz NBWRIZAGAHNSJW-RWMBFGLXSA-N 1 3 287.404 -0.476 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC[NH+](C)C ZINC001374277060 897203652 /nfs/dbraw/zinc/20/36/52/897203652.db2.gz NLQSMRTYRBKQKC-LLVKDONJSA-N 1 3 272.393 -0.537 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001374326842 897212789 /nfs/dbraw/zinc/21/27/89/897212789.db2.gz OUYTUZHBDWEUHS-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001374323385 897214005 /nfs/dbraw/zinc/21/40/05/897214005.db2.gz BOSJHWCVBWLYCM-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001374682637 897341681 /nfs/dbraw/zinc/34/16/81/897341681.db2.gz XVJQWPUWFPAOQQ-NEPJUHHUSA-N 1 3 296.371 -0.636 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001374827468 897404857 /nfs/dbraw/zinc/40/48/57/897404857.db2.gz IROGMQUWZCHFGS-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001374827468 897404864 /nfs/dbraw/zinc/40/48/64/897404864.db2.gz IROGMQUWZCHFGS-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001374894000 897427197 /nfs/dbraw/zinc/42/71/97/897427197.db2.gz CQLHQLZTTHBNSJ-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001374962893 897444015 /nfs/dbraw/zinc/44/40/15/897444015.db2.gz YKWKUKFTOQNDMV-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001375275435 897505289 /nfs/dbraw/zinc/50/52/89/897505289.db2.gz YLDQEBBWRKFQQH-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO COCCN1CC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001375375004 897529981 /nfs/dbraw/zinc/52/99/81/897529981.db2.gz VJCRSCCYJDWZGE-UONOGXRCSA-N 1 3 299.415 -0.208 20 0 CBADHO CNC(=O)[C@H](C)NC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375480132 897551471 /nfs/dbraw/zinc/55/14/71/897551471.db2.gz PDJDJGHFNDNOSO-NWDGAFQWSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001375892105 897619053 /nfs/dbraw/zinc/61/90/53/897619053.db2.gz BJXIJLNUQPWFFB-OAHLLOKOSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001376276676 897702356 /nfs/dbraw/zinc/70/23/56/897702356.db2.gz KHKBJYAZCWIBEV-CMPLNLGQSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328780 897714301 /nfs/dbraw/zinc/71/43/01/897714301.db2.gz HWEDMDWHYAZSQK-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001376340726 897714590 /nfs/dbraw/zinc/71/45/90/897714590.db2.gz MDPKDWMXAVKHJC-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001376340726 897714599 /nfs/dbraw/zinc/71/45/99/897714599.db2.gz MDPKDWMXAVKHJC-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001376341481 897717440 /nfs/dbraw/zinc/71/74/40/897717440.db2.gz QYNCYJPBOIXKRO-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001376397493 897722677 /nfs/dbraw/zinc/72/26/77/897722677.db2.gz DGINCWAWZSBZQK-SRVKXCTJSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376684437 897799755 /nfs/dbraw/zinc/79/97/55/897799755.db2.gz IKAJBXVDCNQXRU-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376684437 897799765 /nfs/dbraw/zinc/79/97/65/897799765.db2.gz IKAJBXVDCNQXRU-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCN(C)C1=O ZINC001376792822 897846687 /nfs/dbraw/zinc/84/66/87/897846687.db2.gz OITWWNDBFUDKRB-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCN(C)C1=O ZINC001376792819 897847278 /nfs/dbraw/zinc/84/72/78/897847278.db2.gz OITWWNDBFUDKRB-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802121 897848240 /nfs/dbraw/zinc/84/82/40/897848240.db2.gz OXLCVKIHWBCWDD-CHWSQXEVSA-N 1 3 294.403 -0.286 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001376801026 897848712 /nfs/dbraw/zinc/84/87/12/897848712.db2.gz MHJPDMHLQDTLSC-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376886959 897885573 /nfs/dbraw/zinc/88/55/73/897885573.db2.gz ZYPSHZSZRHGMRI-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001376934082 897898210 /nfs/dbraw/zinc/89/82/10/897898210.db2.gz ISLWCMMRADNSKG-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377122603 897937050 /nfs/dbraw/zinc/93/70/50/897937050.db2.gz YOESTVMXPSQPSK-UHFFFAOYSA-N 1 3 293.371 -0.202 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)CCC[NH+](C)C ZINC001377577887 898092282 /nfs/dbraw/zinc/09/22/82/898092282.db2.gz DWRHTBWVMJNKDO-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)N(C)C ZINC001377485414 898062742 /nfs/dbraw/zinc/06/27/42/898062742.db2.gz XHNPYGMTXNLFSZ-RWMBFGLXSA-N 1 3 298.431 -0.055 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001377574568 898088506 /nfs/dbraw/zinc/08/85/06/898088506.db2.gz CKACOYLQLBDBDH-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001377574568 898088517 /nfs/dbraw/zinc/08/85/17/898088517.db2.gz CKACOYLQLBDBDH-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O ZINC001377587545 898097789 /nfs/dbraw/zinc/09/77/89/898097789.db2.gz DINPGBSWZWSPLG-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001377595859 898103035 /nfs/dbraw/zinc/10/30/35/898103035.db2.gz SZRPVRKQZPYUCO-LBPRGKRZSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857887 898150678 /nfs/dbraw/zinc/15/06/78/898150678.db2.gz IVHGKFWSTMTVLA-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001378333588 898315630 /nfs/dbraw/zinc/31/56/30/898315630.db2.gz DLEQXUWLBMDQON-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001378344215 898321407 /nfs/dbraw/zinc/32/14/07/898321407.db2.gz OZSWNOHVJOMSDZ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001378344215 898321429 /nfs/dbraw/zinc/32/14/29/898321429.db2.gz OZSWNOHVJOMSDZ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001378569927 898356007 /nfs/dbraw/zinc/35/60/07/898356007.db2.gz UWLRLFBGOHVDSI-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001378569921 898356523 /nfs/dbraw/zinc/35/65/23/898356523.db2.gz UWLRLFBGOHVDSI-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CN(C)C1CCC1 ZINC001378779559 898408475 /nfs/dbraw/zinc/40/84/75/898408475.db2.gz XCRZFOIIONZYGC-QWRGUYRKSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378858038 898424694 /nfs/dbraw/zinc/42/46/94/898424694.db2.gz ZVAYMDAZUJSNQZ-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378858038 898424700 /nfs/dbraw/zinc/42/47/00/898424700.db2.gz ZVAYMDAZUJSNQZ-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378861982 898427088 /nfs/dbraw/zinc/42/70/88/898427088.db2.gz VKEYQEKQGRLORY-CHWSQXEVSA-N 1 3 298.431 -0.006 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001378894737 898429496 /nfs/dbraw/zinc/42/94/96/898429496.db2.gz GMKUHCBQDMJMPB-ZYHUDNBSSA-N 1 3 293.371 -0.475 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001379100301 898465972 /nfs/dbraw/zinc/46/59/72/898465972.db2.gz GGVFKSNGAVOXRQ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001379134326 898472384 /nfs/dbraw/zinc/47/23/84/898472384.db2.gz JFCOEEBOPHQNMQ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001379134326 898472391 /nfs/dbraw/zinc/47/23/91/898472391.db2.gz JFCOEEBOPHQNMQ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(N)=O ZINC001379232475 898518205 /nfs/dbraw/zinc/51/82/05/898518205.db2.gz YUSHRPLFUWYYQO-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379358829 898573348 /nfs/dbraw/zinc/57/33/48/898573348.db2.gz ODPRBTXDAWMHMK-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379358829 898573358 /nfs/dbraw/zinc/57/33/58/898573358.db2.gz ODPRBTXDAWMHMK-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001379517756 898650596 /nfs/dbraw/zinc/65/05/96/898650596.db2.gz WSRAHVMSTWSBAY-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379514909 898651717 /nfs/dbraw/zinc/65/17/17/898651717.db2.gz GWDLHULAZUGXGM-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001379518061 898655407 /nfs/dbraw/zinc/65/54/07/898655407.db2.gz YJRBRXCLGAINLB-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001379551343 898665761 /nfs/dbraw/zinc/66/57/61/898665761.db2.gz MXLSICRUBXUYGV-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)[C@H]1C ZINC001379565485 898670439 /nfs/dbraw/zinc/67/04/39/898670439.db2.gz GEESQMIWQZQEEB-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)[C@H]1C ZINC001379565485 898670447 /nfs/dbraw/zinc/67/04/47/898670447.db2.gz GEESQMIWQZQEEB-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001379578670 898673385 /nfs/dbraw/zinc/67/33/85/898673385.db2.gz FHFWSVWORQFCTJ-FZMZJTMJSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379596364 898678113 /nfs/dbraw/zinc/67/81/13/898678113.db2.gz FEGBLWMVEAGONM-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379596364 898678119 /nfs/dbraw/zinc/67/81/19/898678119.db2.gz FEGBLWMVEAGONM-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379594776 898678181 /nfs/dbraw/zinc/67/81/81/898678181.db2.gz CUVQFPXRPVKSJO-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379594776 898678188 /nfs/dbraw/zinc/67/81/88/898678188.db2.gz CUVQFPXRPVKSJO-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001379965480 898776190 /nfs/dbraw/zinc/77/61/90/898776190.db2.gz BYHUQIRGSQIRAG-CHWSQXEVSA-N 1 3 289.420 -0.542 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001379965480 898776176 /nfs/dbraw/zinc/77/61/76/898776176.db2.gz BYHUQIRGSQIRAG-CHWSQXEVSA-N 1 3 289.420 -0.542 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001379965502 898777708 /nfs/dbraw/zinc/77/77/08/898777708.db2.gz BYHUQIRGSQIRAG-STQMWFEESA-N 1 3 289.420 -0.542 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001379965502 898777718 /nfs/dbraw/zinc/77/77/18/898777718.db2.gz BYHUQIRGSQIRAG-STQMWFEESA-N 1 3 289.420 -0.542 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001379965496 898778781 /nfs/dbraw/zinc/77/87/81/898778781.db2.gz BYHUQIRGSQIRAG-OLZOCXBDSA-N 1 3 289.420 -0.542 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001379965496 898778789 /nfs/dbraw/zinc/77/87/89/898778789.db2.gz BYHUQIRGSQIRAG-OLZOCXBDSA-N 1 3 289.420 -0.542 20 0 CBADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283130 898852317 /nfs/dbraw/zinc/85/23/17/898852317.db2.gz GDEXBEUTNYMQFP-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001380283143 898853074 /nfs/dbraw/zinc/85/30/74/898853074.db2.gz GDEXBEUTNYMQFP-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380539433 898892198 /nfs/dbraw/zinc/89/21/98/898892198.db2.gz UMRLWPKGGPRNGG-ZFWWWQNUSA-N 1 3 299.415 -0.594 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380539433 898892209 /nfs/dbraw/zinc/89/22/09/898892209.db2.gz UMRLWPKGGPRNGG-ZFWWWQNUSA-N 1 3 299.415 -0.594 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001380566555 898903566 /nfs/dbraw/zinc/90/35/66/898903566.db2.gz QLJFDXGFUYTPFY-GXTWGEPZSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001380566555 898903571 /nfs/dbraw/zinc/90/35/71/898903571.db2.gz QLJFDXGFUYTPFY-GXTWGEPZSA-N 1 3 287.404 -0.738 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001380689477 898934123 /nfs/dbraw/zinc/93/41/23/898934123.db2.gz PSYWWPWNBJWWBQ-NWDGAFQWSA-N 1 3 284.404 -0.504 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001381097244 898995824 /nfs/dbraw/zinc/99/58/24/898995824.db2.gz PWZJLYBFDCTXFJ-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001381097242 898996738 /nfs/dbraw/zinc/99/67/38/898996738.db2.gz PWZJLYBFDCTXFJ-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001382112385 899157552 /nfs/dbraw/zinc/15/75/52/899157552.db2.gz LRPBYNSHRJGQSC-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(N)=O ZINC001382121608 899159981 /nfs/dbraw/zinc/15/99/81/899159981.db2.gz LYIYHNNNHYHYTE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(N)=O ZINC001382121608 899159993 /nfs/dbraw/zinc/15/99/93/899159993.db2.gz LYIYHNNNHYHYTE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382152727 899167506 /nfs/dbraw/zinc/16/75/06/899167506.db2.gz MJGOXMSHSJWTQN-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382152727 899167517 /nfs/dbraw/zinc/16/75/17/899167517.db2.gz MJGOXMSHSJWTQN-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(N)=O ZINC001382169704 899169081 /nfs/dbraw/zinc/16/90/81/899169081.db2.gz WRJRPQBQHADUAX-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCCN(C)CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385270332 899560010 /nfs/dbraw/zinc/56/00/10/899560010.db2.gz ICLYCZBBOAXMFI-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385733393 899591853 /nfs/dbraw/zinc/59/18/53/899591853.db2.gz IGGVHIVLEURGON-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001387821486 899834400 /nfs/dbraw/zinc/83/44/00/899834400.db2.gz KXBKABBLNSTURW-LBPRGKRZSA-N 1 3 284.404 -0.395 20 0 CBADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001388421782 899887538 /nfs/dbraw/zinc/88/75/38/899887538.db2.gz OWABDCVYUPFXIX-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001389442213 900016578 /nfs/dbraw/zinc/01/65/78/900016578.db2.gz ZDRIHBNRZPPGLR-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001389442213 900016585 /nfs/dbraw/zinc/01/65/85/900016585.db2.gz ZDRIHBNRZPPGLR-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001389609929 900049513 /nfs/dbraw/zinc/04/95/13/900049513.db2.gz QPEFJANVTASXNH-GXFFZTMASA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001389821437 900077287 /nfs/dbraw/zinc/07/72/87/900077287.db2.gz SPXGDFAPJSFXHS-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001389857515 900087152 /nfs/dbraw/zinc/08/71/52/900087152.db2.gz FNCOZKHPFBLCKE-OBJOEFQTSA-N 1 3 299.415 -0.285 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001389863994 900087197 /nfs/dbraw/zinc/08/71/97/900087197.db2.gz VBPHNNUVIIUWHG-NQBHXWOUSA-N 1 3 294.399 -0.404 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001390012545 900103933 /nfs/dbraw/zinc/10/39/33/900103933.db2.gz RWUIBJNHMZDLQA-UKKRHICBSA-N 1 3 270.377 -0.563 20 0 CBADHO CN(C)C1(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)CCC1 ZINC001390274287 900128169 /nfs/dbraw/zinc/12/81/69/900128169.db2.gz QOBSZDAWMWJYNW-UHFFFAOYSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390411557 900155731 /nfs/dbraw/zinc/15/57/31/900155731.db2.gz XLRFFAFMLJERFG-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390411557 900155741 /nfs/dbraw/zinc/15/57/41/900155741.db2.gz XLRFFAFMLJERFG-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(N)=O ZINC001390450784 900162051 /nfs/dbraw/zinc/16/20/51/900162051.db2.gz BPOBTRYQMDSUEB-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NC)C1 ZINC001390458531 900166422 /nfs/dbraw/zinc/16/64/22/900166422.db2.gz NJCXEPDOCGYDBS-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NC)C1 ZINC001390458531 900166429 /nfs/dbraw/zinc/16/64/29/900166429.db2.gz NJCXEPDOCGYDBS-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001390464484 900167115 /nfs/dbraw/zinc/16/71/15/900167115.db2.gz FBGRCHDNNNARBX-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001390506789 900177881 /nfs/dbraw/zinc/17/78/81/900177881.db2.gz HZTSHQJWPDBPHE-OCCSQVGLSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390517541 900180925 /nfs/dbraw/zinc/18/09/25/900180925.db2.gz YXLBWFRQAZVAOK-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390517541 900180928 /nfs/dbraw/zinc/18/09/28/900180928.db2.gz YXLBWFRQAZVAOK-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001390510074 900181610 /nfs/dbraw/zinc/18/16/10/900181610.db2.gz OEIWDOKNXDBIOF-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390550693 900186968 /nfs/dbraw/zinc/18/69/68/900186968.db2.gz IISOMSFUOMORQG-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001390579516 900192341 /nfs/dbraw/zinc/19/23/41/900192341.db2.gz VDBJNEBKVXCLIX-QWHCGFSZSA-N 1 3 285.388 -0.720 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001390586833 900193348 /nfs/dbraw/zinc/19/33/48/900193348.db2.gz AJESMORUCOFGOQ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595058 900194615 /nfs/dbraw/zinc/19/46/15/900194615.db2.gz QYHCEZSMJZYONW-NEPJUHHUSA-N 1 3 282.388 -0.748 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595104 900194690 /nfs/dbraw/zinc/19/46/90/900194690.db2.gz QYHCEZSMJZYONW-VXGBXAGGSA-N 1 3 282.388 -0.748 20 0 CBADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cnnn1C ZINC001390647555 900202716 /nfs/dbraw/zinc/20/27/16/900202716.db2.gz QDIKXOFROYSHCV-DGCLKSJQSA-N 1 3 294.403 -0.106 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390848119 900265356 /nfs/dbraw/zinc/26/53/56/900265356.db2.gz YSOZJDOGNKOBBF-LBPRGKRZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091087 900311044 /nfs/dbraw/zinc/31/10/44/900311044.db2.gz BSVOZQJBYYPTBM-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001391222195 900344362 /nfs/dbraw/zinc/34/43/62/900344362.db2.gz FDGJUTKEYYCPAA-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001391563582 900409130 /nfs/dbraw/zinc/40/91/30/900409130.db2.gz RNKYWSPMZMLAPU-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001391563582 900409137 /nfs/dbraw/zinc/40/91/37/900409137.db2.gz RNKYWSPMZMLAPU-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001391697846 900435149 /nfs/dbraw/zinc/43/51/49/900435149.db2.gz WLEZCOFLMZHCNU-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(N)=O ZINC001391697846 900435154 /nfs/dbraw/zinc/43/51/54/900435154.db2.gz WLEZCOFLMZHCNU-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001391860569 900452672 /nfs/dbraw/zinc/45/26/72/900452672.db2.gz CMZHHNAMGLFWCJ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001391862860 900452870 /nfs/dbraw/zinc/45/28/70/900452870.db2.gz XFLKEVJIGCYYBI-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001391927044 900462913 /nfs/dbraw/zinc/46/29/13/900462913.db2.gz OOBOGFRENFUNTA-WCQYABFASA-N 1 3 286.420 -0.340 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCNC1=O ZINC001391927262 900463176 /nfs/dbraw/zinc/46/31/76/900463176.db2.gz VRMLLRIGGQCOGG-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001392047013 900499264 /nfs/dbraw/zinc/49/92/64/900499264.db2.gz CQGLFAQZJJMYEU-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392132292 900521590 /nfs/dbraw/zinc/52/15/90/900521590.db2.gz LFJYZAFCFZNOOE-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392132292 900521611 /nfs/dbraw/zinc/52/16/11/900521611.db2.gz LFJYZAFCFZNOOE-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392132304 900521866 /nfs/dbraw/zinc/52/18/66/900521866.db2.gz LFJYZAFCFZNOOE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392132304 900521875 /nfs/dbraw/zinc/52/18/75/900521875.db2.gz LFJYZAFCFZNOOE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C1(N(C)C)CCC1 ZINC001392450946 900619375 /nfs/dbraw/zinc/61/93/75/900619375.db2.gz XPPFCNUMPFLCER-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001392506592 900641818 /nfs/dbraw/zinc/64/18/18/900641818.db2.gz WQMOVLWHIATTKV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CN[C@@H]1CCNC1=O)[NH+](C)C ZINC001392506409 900641863 /nfs/dbraw/zinc/64/18/63/900641863.db2.gz XLZLGKFVXVJOJN-IJLUTSLNSA-N 1 3 284.404 -0.445 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001392513907 900644141 /nfs/dbraw/zinc/64/41/41/900644141.db2.gz ZTGNQERHLHOSPP-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001392538726 900650297 /nfs/dbraw/zinc/65/02/97/900650297.db2.gz ZHPQKMWBZVOECF-LLVKDONJSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392571468 900663363 /nfs/dbraw/zinc/66/33/63/900663363.db2.gz MZLDTQHQTSYUJU-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392599423 900674664 /nfs/dbraw/zinc/67/46/64/900674664.db2.gz MPKLJDOTFSOAAS-WCQYABFASA-N 1 3 286.420 -0.197 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001392616525 900678561 /nfs/dbraw/zinc/67/85/61/900678561.db2.gz HEOCXVIPSOAVRT-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001392791218 900727233 /nfs/dbraw/zinc/72/72/33/900727233.db2.gz ZSINRFMCOXGRPK-VXGBXAGGSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814338 900731854 /nfs/dbraw/zinc/73/18/54/900731854.db2.gz UOCDXZUUDIJODD-STQMWFEESA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814338 900731861 /nfs/dbraw/zinc/73/18/61/900731861.db2.gz UOCDXZUUDIJODD-STQMWFEESA-N 1 3 296.415 -0.489 20 0 CBADHO C[NH+](C)CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001392931270 900763691 /nfs/dbraw/zinc/76/36/91/900763691.db2.gz YJGOVTIHPMVRTP-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001393053228 900786705 /nfs/dbraw/zinc/78/67/05/900786705.db2.gz LNECXPOSRHJAEF-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001393055975 900787170 /nfs/dbraw/zinc/78/71/70/900787170.db2.gz QYSYQBWAPAYZGQ-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001393050830 900787077 /nfs/dbraw/zinc/78/70/77/900787077.db2.gz BSVZEXHEMCBAGF-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001393050830 900787082 /nfs/dbraw/zinc/78/70/82/900787082.db2.gz BSVZEXHEMCBAGF-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001393055966 900787382 /nfs/dbraw/zinc/78/73/82/900787382.db2.gz QYSYQBWAPAYZGQ-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083290 900789647 /nfs/dbraw/zinc/78/96/47/900789647.db2.gz JGQNUIVOUUPVCD-CHWSQXEVSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083290 900789663 /nfs/dbraw/zinc/78/96/63/900789663.db2.gz JGQNUIVOUUPVCD-CHWSQXEVSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083306 900790810 /nfs/dbraw/zinc/79/08/10/900790810.db2.gz JGQNUIVOUUPVCD-STQMWFEESA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001393083306 900790820 /nfs/dbraw/zinc/79/08/20/900790820.db2.gz JGQNUIVOUUPVCD-STQMWFEESA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001393393575 900852731 /nfs/dbraw/zinc/85/27/31/900852731.db2.gz HJHZWNVPWSAUQN-STQMWFEESA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001393518777 900868187 /nfs/dbraw/zinc/86/81/87/900868187.db2.gz MWYYYIDRGHFNNN-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC[N@H+]1C ZINC001393518777 900868193 /nfs/dbraw/zinc/86/81/93/900868193.db2.gz MWYYYIDRGHFNNN-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCO)C1)N(C)C ZINC001393704660 900895929 /nfs/dbraw/zinc/89/59/29/900895929.db2.gz AZHAYERKEGWXGC-JSGCOSHPSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001393747041 900903625 /nfs/dbraw/zinc/90/36/25/900903625.db2.gz VYWMPIXNNIZNDN-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC2(CO)CCN(CCO)CC2)CC[N@@H+]1C ZINC001393842384 900915475 /nfs/dbraw/zinc/91/54/75/900915475.db2.gz PBNXXWWEWMTATI-CHWSQXEVSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC2(CO)CCN(CCO)CC2)CC[N@H+]1C ZINC001393842384 900915483 /nfs/dbraw/zinc/91/54/83/900915483.db2.gz PBNXXWWEWMTATI-CHWSQXEVSA-N 1 3 299.415 -0.738 20 0 CBADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001393905251 900928617 /nfs/dbraw/zinc/92/86/17/900928617.db2.gz BHFGYYTWENXFDU-MCIGGMRASA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393981921 900947955 /nfs/dbraw/zinc/94/79/55/900947955.db2.gz YFZOGRZIYCJTAK-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(N)=O ZINC001394540948 901047954 /nfs/dbraw/zinc/04/79/54/901047954.db2.gz RBMONAROMVICTM-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001394540961 901048496 /nfs/dbraw/zinc/04/84/96/901048496.db2.gz RBMONAROMVICTM-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001394563817 901054486 /nfs/dbraw/zinc/05/44/86/901054486.db2.gz CAVLPHHBBOBHOY-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO CN(CC(=O)NC[C@@H](CO)[NH2+]CCO)CC(C)(C)C ZINC001394638312 901100806 /nfs/dbraw/zinc/10/08/06/901100806.db2.gz SOBPDTLNRZMQGG-NSHDSACASA-N 1 3 275.393 -0.977 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001394679309 901114673 /nfs/dbraw/zinc/11/46/73/901114673.db2.gz PQCRLSIOCYLVCY-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001394670395 901117356 /nfs/dbraw/zinc/11/73/56/901117356.db2.gz LZDIBNLQYXVRSJ-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)CC[NH+](C)C ZINC001395680768 901222299 /nfs/dbraw/zinc/22/22/99/901222299.db2.gz PXDAFZBPXIMFSO-LLVKDONJSA-N 1 3 295.387 -0.133 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001397140651 901367810 /nfs/dbraw/zinc/36/78/10/901367810.db2.gz NSRGFVBVPWERON-HAQNSBGRSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001398534853 901549119 /nfs/dbraw/zinc/54/91/19/901549119.db2.gz HCZDELSEPAGUTO-DCAQKATOSA-N 1 3 282.388 -0.419 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001398534866 901549367 /nfs/dbraw/zinc/54/93/67/901549367.db2.gz UKYCCNRXPLPVGZ-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001398538227 901553394 /nfs/dbraw/zinc/55/33/94/901553394.db2.gz JWQRGDSNUCVZDB-SRVKXCTJSA-N 1 3 294.399 -0.404 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001398670759 901588282 /nfs/dbraw/zinc/58/82/82/901588282.db2.gz NMBXGPCDAMRKDZ-SCRDCRAPSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001398743044 901599211 /nfs/dbraw/zinc/59/92/11/901599211.db2.gz OCGJRTGUNLHJMV-WDEREUQCSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763498 901602642 /nfs/dbraw/zinc/60/26/42/901602642.db2.gz OVFPDHMHNBJNJB-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399122306 901668648 /nfs/dbraw/zinc/66/86/48/901668648.db2.gz QXDWMCZAIOFNEP-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399122306 901668657 /nfs/dbraw/zinc/66/86/57/901668657.db2.gz QXDWMCZAIOFNEP-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(N)=O)[NH+]1CCCC1 ZINC001399151985 901672156 /nfs/dbraw/zinc/67/21/56/901672156.db2.gz BUCPKPOSHJVPDL-WCQYABFASA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)[NH+]1CCCC1 ZINC001399151988 901672199 /nfs/dbraw/zinc/67/21/99/901672199.db2.gz BUCPKPOSHJVPDL-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(N)=O)[NH+]1CCCC1 ZINC001399151405 901673632 /nfs/dbraw/zinc/67/36/32/901673632.db2.gz BUCPKPOSHJVPDL-DGCLKSJQSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001399163377 901678654 /nfs/dbraw/zinc/67/86/54/901678654.db2.gz NQESKRPLJXJEDA-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001399239474 901685594 /nfs/dbraw/zinc/68/55/94/901685594.db2.gz GSHRPLUPUCDFEB-NSHDSACASA-N 1 3 293.371 -0.522 20 0 CBADHO Cn1cc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001399230377 901685935 /nfs/dbraw/zinc/68/59/35/901685935.db2.gz BUZNMOPPROQEDQ-GFCCVEGCSA-N 1 3 294.403 -0.295 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)N(C)C)C1)[NH+](C)C ZINC001399231438 901686286 /nfs/dbraw/zinc/68/62/86/901686286.db2.gz SYTQOMUNRXMOGR-JSGCOSHPSA-N 1 3 298.431 -0.149 20 0 CBADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001399670659 901772119 /nfs/dbraw/zinc/77/21/19/901772119.db2.gz MAPDDXJGRBMIRE-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001400046569 901861678 /nfs/dbraw/zinc/86/16/78/901861678.db2.gz FQDNSXXVFQPWGF-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001400048366 901862219 /nfs/dbraw/zinc/86/22/19/901862219.db2.gz HKTFJPCNKSCABP-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC ZINC001400903499 902037364 /nfs/dbraw/zinc/03/73/64/902037364.db2.gz KJILBRBFYXJARE-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009185 902039512 /nfs/dbraw/zinc/03/95/12/902039512.db2.gz MICPTJJRPWVNFQ-XHDPSFHLSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009183 902039631 /nfs/dbraw/zinc/03/96/31/902039631.db2.gz MICPTJJRPWVNFQ-NHYWBVRUSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128593 902061088 /nfs/dbraw/zinc/06/10/88/902061088.db2.gz KZJFHBKXGFASHE-QWHCGFSZSA-N 1 3 298.431 -0.242 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128595 902061716 /nfs/dbraw/zinc/06/17/16/902061716.db2.gz KZJFHBKXGFASHE-STQMWFEESA-N 1 3 298.431 -0.242 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001401236932 902088406 /nfs/dbraw/zinc/08/84/06/902088406.db2.gz HMCPLKHJRKVHRW-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001401220999 902089175 /nfs/dbraw/zinc/08/91/75/902089175.db2.gz OVXPNKKHUFRPLM-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001401265022 902097362 /nfs/dbraw/zinc/09/73/62/902097362.db2.gz YDQMNMPQDMEENQ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001401265022 902097375 /nfs/dbraw/zinc/09/73/75/902097375.db2.gz YDQMNMPQDMEENQ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401601870 902183097 /nfs/dbraw/zinc/18/30/97/902183097.db2.gz FGDMLEFLXRLQBU-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401610054 902188369 /nfs/dbraw/zinc/18/83/69/902188369.db2.gz MNEFEAQBKRWARV-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401610054 902188375 /nfs/dbraw/zinc/18/83/75/902188375.db2.gz MNEFEAQBKRWARV-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001401632242 902199764 /nfs/dbraw/zinc/19/97/64/902199764.db2.gz DPQKWTTWYDBUSY-OUAUKWLOSA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401650803 902208761 /nfs/dbraw/zinc/20/87/61/902208761.db2.gz HMZKJQPCOFLJLC-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001401702057 902238519 /nfs/dbraw/zinc/23/85/19/902238519.db2.gz ZGNYKXKSBBFAKP-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001401718387 902245561 /nfs/dbraw/zinc/24/55/61/902245561.db2.gz PHQDHUGZIWMIBM-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001401721511 902246113 /nfs/dbraw/zinc/24/61/13/902246113.db2.gz VWTULEAHPTUUBD-NSHDSACASA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001401866501 902292917 /nfs/dbraw/zinc/29/29/17/902292917.db2.gz JMIPYFAUEVBCFP-GFCCVEGCSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@H](NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001402033419 902343502 /nfs/dbraw/zinc/34/35/02/902343502.db2.gz QYGIJUYTBGOKBA-NSHDSACASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060361 902345749 /nfs/dbraw/zinc/34/57/49/902345749.db2.gz PTGZHVVTHRYWGV-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001402059712 902347457 /nfs/dbraw/zinc/34/74/57/902347457.db2.gz MRNMCWIMMOYMOG-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001402066822 902348996 /nfs/dbraw/zinc/34/89/96/902348996.db2.gz YLFYIOWORJRSSS-OLZOCXBDSA-N 1 3 296.371 -0.460 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402078521 902350004 /nfs/dbraw/zinc/35/00/04/902350004.db2.gz MWWPBRMMQAPNOO-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001402533976 902472591 /nfs/dbraw/zinc/47/25/91/902472591.db2.gz IUWPDNNZDAOQGM-CYDGBPFRSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1)N(C)C ZINC001402913460 902561581 /nfs/dbraw/zinc/56/15/81/902561581.db2.gz HZMYELSQMAULSU-CMPLNLGQSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001402996572 902586795 /nfs/dbraw/zinc/58/67/95/902586795.db2.gz AJIGMTNLPSSLCS-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042211 902599530 /nfs/dbraw/zinc/59/95/30/902599530.db2.gz IOKLWPUTUWHHRS-JQWIXIFHSA-N 1 3 284.404 -0.314 20 0 CBADHO Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001403145703 902627866 /nfs/dbraw/zinc/62/78/66/902627866.db2.gz UWNQTCYEPRJWDK-KOLCDFICSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001403145703 902627870 /nfs/dbraw/zinc/62/78/70/902627870.db2.gz UWNQTCYEPRJWDK-KOLCDFICSA-N 1 3 280.376 -0.341 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001403163662 902635563 /nfs/dbraw/zinc/63/55/63/902635563.db2.gz SYKHDLUTJVENLX-GRYCIOLGSA-N 1 3 282.388 -0.737 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001403163662 902635570 /nfs/dbraw/zinc/63/55/70/902635570.db2.gz SYKHDLUTJVENLX-GRYCIOLGSA-N 1 3 282.388 -0.737 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001403217500 902650583 /nfs/dbraw/zinc/65/05/83/902650583.db2.gz VQSWXDIXWMWPIR-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446897 902693675 /nfs/dbraw/zinc/69/36/75/902693675.db2.gz QDUFBFWVIOLCFZ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404432215 902984990 /nfs/dbraw/zinc/98/49/90/902984990.db2.gz DJXBTKDOOYEFPG-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001404429194 902985218 /nfs/dbraw/zinc/98/52/18/902985218.db2.gz BVBZFFVMUBRWSA-GFCCVEGCSA-N 1 3 294.399 -0.639 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001404479135 902990968 /nfs/dbraw/zinc/99/09/68/902990968.db2.gz VKNQHNFWTJFWJV-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001405673363 903198744 /nfs/dbraw/zinc/19/87/44/903198744.db2.gz QIKBEYKBYZXHAL-JQWIXIFHSA-N 1 3 272.393 -0.600 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001405824515 903229028 /nfs/dbraw/zinc/22/90/28/903229028.db2.gz ZCXWPQUDUVZKCG-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001405824515 903229041 /nfs/dbraw/zinc/22/90/41/903229041.db2.gz ZCXWPQUDUVZKCG-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405845201 903232020 /nfs/dbraw/zinc/23/20/20/903232020.db2.gz ARQOFUSGGRLINY-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001405900134 903245822 /nfs/dbraw/zinc/24/58/22/903245822.db2.gz PADBCBOSEVWFAJ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001406255148 903327165 /nfs/dbraw/zinc/32/71/65/903327165.db2.gz FZNAZIGCBQYDPV-CYBMUJFWSA-N 1 3 280.372 -0.400 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001406315868 903354078 /nfs/dbraw/zinc/35/40/78/903354078.db2.gz ZJBAYQUUPDRLCL-CYBMUJFWSA-N 1 3 297.403 -0.673 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001406387030 903387153 /nfs/dbraw/zinc/38/71/53/903387153.db2.gz XOQPWLUPQLWNAM-GRYCIOLGSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001406398417 903389756 /nfs/dbraw/zinc/38/97/56/903389756.db2.gz GKFIHMXPSYQRJC-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406563616 903435486 /nfs/dbraw/zinc/43/54/86/903435486.db2.gz SGDSNKHDACQEEK-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001406782759 903478859 /nfs/dbraw/zinc/47/88/59/903478859.db2.gz MBQRJADNIBOVAP-GFCCVEGCSA-N 1 3 294.399 -0.687 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407365101 903581051 /nfs/dbraw/zinc/58/10/51/903581051.db2.gz NTVHUJJMCKVALU-CYBMUJFWSA-N 1 3 273.377 -0.863 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001407823918 903665108 /nfs/dbraw/zinc/66/51/08/903665108.db2.gz HGEYPUIVRQQJJC-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001408097485 903708191 /nfs/dbraw/zinc/70/81/91/903708191.db2.gz JDOYHPPWKSWNOC-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001408097485 903708203 /nfs/dbraw/zinc/70/82/03/903708203.db2.gz JDOYHPPWKSWNOC-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001408113110 903711820 /nfs/dbraw/zinc/71/18/20/903711820.db2.gz YOCHCBCNTNDGQE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001408211773 903733129 /nfs/dbraw/zinc/73/31/29/903733129.db2.gz KXJDKRWBZJIZHN-TUAOUCFPSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336219 903751874 /nfs/dbraw/zinc/75/18/74/903751874.db2.gz SCNOSDLXTOZBJT-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001409176514 903864550 /nfs/dbraw/zinc/86/45/50/903864550.db2.gz CKDXHIJNRWGMNK-ZDUSSCGKSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001409296291 903878613 /nfs/dbraw/zinc/87/86/13/903878613.db2.gz JHVIJYNXSHRSCE-UHFFFAOYSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409443746 903901212 /nfs/dbraw/zinc/90/12/12/903901212.db2.gz CIDZESMWXFANJT-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001410335358 904070905 /nfs/dbraw/zinc/07/09/05/904070905.db2.gz UZMLGVHZAXMMAN-OCCSQVGLSA-N 1 3 298.431 -0.116 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001410368364 904082717 /nfs/dbraw/zinc/08/27/17/904082717.db2.gz BEQLIXFCYROKKO-JQWIXIFHSA-N 1 3 282.388 -0.750 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410379544 904085053 /nfs/dbraw/zinc/08/50/53/904085053.db2.gz NDFUXYMQIKCIFP-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410379544 904085070 /nfs/dbraw/zinc/08/50/70/904085070.db2.gz NDFUXYMQIKCIFP-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001410430959 904097558 /nfs/dbraw/zinc/09/75/58/904097558.db2.gz GWXKPTVNEAREOG-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001410430996 904099826 /nfs/dbraw/zinc/09/98/26/904099826.db2.gz GWXKPTVNEAREOG-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001410445559 904101165 /nfs/dbraw/zinc/10/11/65/904101165.db2.gz WIZOCTXKCQFKQD-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001410477701 904104631 /nfs/dbraw/zinc/10/46/31/904104631.db2.gz BLIUYLUCDCUFHP-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001410477701 904104636 /nfs/dbraw/zinc/10/46/36/904104636.db2.gz BLIUYLUCDCUFHP-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001410496373 904109931 /nfs/dbraw/zinc/10/99/31/904109931.db2.gz FXRPVHJWMNIJMC-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410853710 904195194 /nfs/dbraw/zinc/19/51/94/904195194.db2.gz MPEHURQYCXEQON-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410888227 904200117 /nfs/dbraw/zinc/20/01/17/904200117.db2.gz RMMAYQWATAAMRE-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001410912937 904201959 /nfs/dbraw/zinc/20/19/59/904201959.db2.gz HETUMDKLPJPQRK-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001410999327 904224657 /nfs/dbraw/zinc/22/46/57/904224657.db2.gz WMISTDMNIMEVIV-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001411224480 904267738 /nfs/dbraw/zinc/26/77/38/904267738.db2.gz OVLLYEFFPCAOGN-SNVBAGLBSA-N 1 3 272.393 -0.456 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001416821858 905809227 /nfs/dbraw/zinc/80/92/27/905809227.db2.gz PPGFRXMVTQUECU-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416821858 905809241 /nfs/dbraw/zinc/80/92/41/905809241.db2.gz PPGFRXMVTQUECU-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001417810929 906057184 /nfs/dbraw/zinc/05/71/84/906057184.db2.gz DRNABRCYWLJANC-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001417810272 906057750 /nfs/dbraw/zinc/05/77/50/906057750.db2.gz ULMCSYNANLWAHQ-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001418007896 906134478 /nfs/dbraw/zinc/13/44/78/906134478.db2.gz BXGZWFFUCJGOAQ-JQWIXIFHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001418007896 906134483 /nfs/dbraw/zinc/13/44/83/906134483.db2.gz BXGZWFFUCJGOAQ-JQWIXIFHSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001418052656 906152476 /nfs/dbraw/zinc/15/24/76/906152476.db2.gz ZNVNVIKSIBZTIP-QWRGUYRKSA-N 1 3 270.377 -0.609 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001418061769 906154605 /nfs/dbraw/zinc/15/46/05/906154605.db2.gz DCBWPXMKEDKTAZ-IJLUTSLNSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269912 906247503 /nfs/dbraw/zinc/24/75/03/906247503.db2.gz SWEIDAPROGBMNB-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001418296905 906270581 /nfs/dbraw/zinc/27/05/81/906270581.db2.gz CHTPHZGXSNRAGC-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001418296905 906270599 /nfs/dbraw/zinc/27/05/99/906270599.db2.gz CHTPHZGXSNRAGC-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001418345803 906291426 /nfs/dbraw/zinc/29/14/26/906291426.db2.gz CWZWEANHMVAXRT-WCQYABFASA-N 1 3 284.404 -0.504 20 0 CBADHO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001418821803 906490841 /nfs/dbraw/zinc/49/08/41/906490841.db2.gz MAUJPKFBIKCNCE-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001418836234 906495506 /nfs/dbraw/zinc/49/55/06/906495506.db2.gz YHLTXGKCENAMAZ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001418836234 906495515 /nfs/dbraw/zinc/49/55/15/906495515.db2.gz YHLTXGKCENAMAZ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001419224724 906641642 /nfs/dbraw/zinc/64/16/42/906641642.db2.gz RVRHVCJZEIZETB-PWSUYJOCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001419223450 906641954 /nfs/dbraw/zinc/64/19/54/906641954.db2.gz QETUMDOQTATOBX-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001419223450 906641961 /nfs/dbraw/zinc/64/19/61/906641961.db2.gz QETUMDOQTATOBX-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001419315271 906661084 /nfs/dbraw/zinc/66/10/84/906661084.db2.gz AKQKONQKDQFKOU-WCQYABFASA-N 1 3 298.431 -0.055 20 0 CBADHO C[NH+](C)CC1(C(=O)NC2(CNCC(N)=O)CCCC2)CC1 ZINC001419314801 906661412 /nfs/dbraw/zinc/66/14/12/906661412.db2.gz MNVVCNQSCKCSQL-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419412183 906683196 /nfs/dbraw/zinc/68/31/96/906683196.db2.gz JQIFXXMFYXUROK-FDYHWXHSSA-N 1 3 296.415 -0.301 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419426844 906685134 /nfs/dbraw/zinc/68/51/34/906685134.db2.gz UHTQMWGTPIWCHE-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419491062 906704278 /nfs/dbraw/zinc/70/42/78/906704278.db2.gz NRORHJUAMVFOBN-TXEJJXNPSA-N 1 3 294.403 -0.014 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703631 906774408 /nfs/dbraw/zinc/77/44/08/906774408.db2.gz NQNRHEUCEVZLBC-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001419838499 906833757 /nfs/dbraw/zinc/83/37/57/906833757.db2.gz ONTLWPJGQUXGCL-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001419732414 906791355 /nfs/dbraw/zinc/79/13/55/906791355.db2.gz GFFLZLGHJSVCSZ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001419748608 906801810 /nfs/dbraw/zinc/80/18/10/906801810.db2.gz QSLRMBNMAXBVBG-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419766020 906807964 /nfs/dbraw/zinc/80/79/64/906807964.db2.gz MQWDPUZCDUKARN-QWRGUYRKSA-N 1 3 272.393 -0.363 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001419778413 906810179 /nfs/dbraw/zinc/81/01/79/906810179.db2.gz PXRQAOKKQIPSBR-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419780602 906812099 /nfs/dbraw/zinc/81/20/99/906812099.db2.gz VJEHFFKCFBFZJY-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001419778402 906812533 /nfs/dbraw/zinc/81/25/33/906812533.db2.gz PXRQAOKKQIPSBR-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419799674 906816400 /nfs/dbraw/zinc/81/64/00/906816400.db2.gz RZRGOFZQHNVHCA-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419799674 906816411 /nfs/dbraw/zinc/81/64/11/906816411.db2.gz RZRGOFZQHNVHCA-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419831287 906828486 /nfs/dbraw/zinc/82/84/86/906828486.db2.gz NWVWNHKVAXZYGV-WDEREUQCSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(N)=O ZINC001419875158 906847675 /nfs/dbraw/zinc/84/76/75/906847675.db2.gz JUIGQUXTNBAGKQ-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1)N(C)C ZINC001419894309 906849350 /nfs/dbraw/zinc/84/93/50/906849350.db2.gz HZMYELSQMAULSU-JQWIXIFHSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419891712 906851844 /nfs/dbraw/zinc/85/18/44/906851844.db2.gz CNCWJDXDLWVVHP-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419891712 906851856 /nfs/dbraw/zinc/85/18/56/906851856.db2.gz CNCWJDXDLWVVHP-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001419928670 906860351 /nfs/dbraw/zinc/86/03/51/906860351.db2.gz AGAXGJBNXYMRFV-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001420136505 906966552 /nfs/dbraw/zinc/96/65/52/906966552.db2.gz AIXYMALRRQDARU-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO Cn1ccnc1CNC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194741 907006807 /nfs/dbraw/zinc/00/68/07/907006807.db2.gz WJVPNPSMEBSFMG-GFCCVEGCSA-N 1 3 295.387 -0.917 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001420246394 907043794 /nfs/dbraw/zinc/04/37/94/907043794.db2.gz OUSIXFAJKHNCQX-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001420343398 907115470 /nfs/dbraw/zinc/11/54/70/907115470.db2.gz ZGNYKXKSBBFAKP-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001420360167 907122485 /nfs/dbraw/zinc/12/24/85/907122485.db2.gz MFUDWVFWKLUQGK-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001420360167 907122491 /nfs/dbraw/zinc/12/24/91/907122491.db2.gz MFUDWVFWKLUQGK-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420370123 907123176 /nfs/dbraw/zinc/12/31/76/907123176.db2.gz DVGKYWBRJBWPME-NEPJUHHUSA-N 1 3 294.399 -0.545 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420424044 907153433 /nfs/dbraw/zinc/15/34/33/907153433.db2.gz OSXWTMFSQHWNDS-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420424044 907153446 /nfs/dbraw/zinc/15/34/46/907153446.db2.gz OSXWTMFSQHWNDS-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001420428520 907153793 /nfs/dbraw/zinc/15/37/93/907153793.db2.gz UYSJIYSIXXUYKU-JQWIXIFHSA-N 1 3 272.393 -0.587 20 0 CBADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001420461259 907176189 /nfs/dbraw/zinc/17/61/89/907176189.db2.gz AZBJCMPOXWTQQY-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001420730919 907283942 /nfs/dbraw/zinc/28/39/42/907283942.db2.gz XIWLFOPATBDNLW-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001420731193 907284851 /nfs/dbraw/zinc/28/48/51/907284851.db2.gz BXOYWAHXEJGMDE-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001420738038 907287425 /nfs/dbraw/zinc/28/74/25/907287425.db2.gz CTFMNTGCJOIVLV-LBPRGKRZSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001420744548 907288701 /nfs/dbraw/zinc/28/87/01/907288701.db2.gz OZBGINKDVXOCMM-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001420765666 907299359 /nfs/dbraw/zinc/29/93/59/907299359.db2.gz ZWAMCUKUZXSAPO-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)NCC1([NH2+]CCn2cncn2)CC1)N(C)C ZINC001420953710 907370731 /nfs/dbraw/zinc/37/07/31/907370731.db2.gz LNAFNJFPGNJJKT-GFCCVEGCSA-N 1 3 294.403 -0.143 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421125686 907439176 /nfs/dbraw/zinc/43/91/76/907439176.db2.gz LJZFTDHPRSWRNN-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421125686 907439190 /nfs/dbraw/zinc/43/91/90/907439190.db2.gz LJZFTDHPRSWRNN-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421125687 907440435 /nfs/dbraw/zinc/44/04/35/907440435.db2.gz LJZFTDHPRSWRNN-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421125687 907440448 /nfs/dbraw/zinc/44/04/48/907440448.db2.gz LJZFTDHPRSWRNN-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001421383770 907516971 /nfs/dbraw/zinc/51/69/71/907516971.db2.gz CSIYGLRZSDPOKZ-GXTWGEPZSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001421383770 907516983 /nfs/dbraw/zinc/51/69/83/907516983.db2.gz CSIYGLRZSDPOKZ-GXTWGEPZSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC(=O)N(C)C ZINC001421421523 907538717 /nfs/dbraw/zinc/53/87/17/907538717.db2.gz QCBXUWRHTAIWNR-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC1 ZINC001421443735 907548353 /nfs/dbraw/zinc/54/83/53/907548353.db2.gz RLTXXCQWAGRJPT-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001421488714 907569959 /nfs/dbraw/zinc/56/99/59/907569959.db2.gz INLUGEGNBPTXBD-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001421488714 907569970 /nfs/dbraw/zinc/56/99/70/907569970.db2.gz INLUGEGNBPTXBD-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001421659550 907604818 /nfs/dbraw/zinc/60/48/18/907604818.db2.gz SLPYUARCSZHKME-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001421751042 907632355 /nfs/dbraw/zinc/63/23/55/907632355.db2.gz SYLZUPSOQGLYTL-GFCCVEGCSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001421751042 907632362 /nfs/dbraw/zinc/63/23/62/907632362.db2.gz SYLZUPSOQGLYTL-GFCCVEGCSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001421829522 907658091 /nfs/dbraw/zinc/65/80/91/907658091.db2.gz MMUCQWDKFKGEBA-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001421979951 907694414 /nfs/dbraw/zinc/69/44/14/907694414.db2.gz HUSDLSNKUJAHRM-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)C1CCC1 ZINC001421974452 907696131 /nfs/dbraw/zinc/69/61/31/907696131.db2.gz STUASSAPPXMSRW-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421989647 907698154 /nfs/dbraw/zinc/69/81/54/907698154.db2.gz MESHZSYHLMAUSJ-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421989647 907698162 /nfs/dbraw/zinc/69/81/62/907698162.db2.gz MESHZSYHLMAUSJ-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421992754 907698265 /nfs/dbraw/zinc/69/82/65/907698265.db2.gz PRUFCXUCQJOOBD-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421992754 907698269 /nfs/dbraw/zinc/69/82/69/907698269.db2.gz PRUFCXUCQJOOBD-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421985210 907699690 /nfs/dbraw/zinc/69/96/90/907699690.db2.gz DYIRPZGKMVJWIA-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421985210 907699704 /nfs/dbraw/zinc/69/97/04/907699704.db2.gz DYIRPZGKMVJWIA-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422019752 907701391 /nfs/dbraw/zinc/70/13/91/907701391.db2.gz QRYXWTDIEPSFBU-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422019752 907701398 /nfs/dbraw/zinc/70/13/98/907701398.db2.gz QRYXWTDIEPSFBU-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001422135776 907725675 /nfs/dbraw/zinc/72/56/75/907725675.db2.gz NLVPYXFXVFFPFJ-VXGBXAGGSA-N 1 3 286.420 -0.069 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001422159552 907731991 /nfs/dbraw/zinc/73/19/91/907731991.db2.gz FVHNEHDUHAIXNH-DCAQKATOSA-N 1 3 272.393 -0.315 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422389278 907841783 /nfs/dbraw/zinc/84/17/83/907841783.db2.gz IHRQVXYTJFSDAK-GXSJLCMTSA-N 1 3 284.360 -0.638 20 0 CBADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502483175 921360700 /nfs/dbraw/zinc/36/07/00/921360700.db2.gz QIOFHGOQGWMWPT-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422699154 907977027 /nfs/dbraw/zinc/97/70/27/907977027.db2.gz ZPSBULUDULEPQH-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001422995181 908075464 /nfs/dbraw/zinc/07/54/64/908075464.db2.gz BFMWVPJWFFWINU-LBPRGKRZSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001423010806 908075536 /nfs/dbraw/zinc/07/55/36/908075536.db2.gz WJRIQJUDVBRCPG-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001422995175 908075660 /nfs/dbraw/zinc/07/56/60/908075660.db2.gz BFMWVPJWFFWINU-GFCCVEGCSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001422997164 908075916 /nfs/dbraw/zinc/07/59/16/908075916.db2.gz CFCGMPQCNJHOPO-CMPLNLGQSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001423039962 908085197 /nfs/dbraw/zinc/08/51/97/908085197.db2.gz GXJWDXCSKRTQHL-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001423039962 908085181 /nfs/dbraw/zinc/08/51/81/908085181.db2.gz GXJWDXCSKRTQHL-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423169020 908125345 /nfs/dbraw/zinc/12/53/45/908125345.db2.gz HBSOAZYSPSPOTF-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001423409684 908221452 /nfs/dbraw/zinc/22/14/52/908221452.db2.gz YEXLZAJLJDWDTK-LLVKDONJSA-N 1 3 284.404 -0.362 20 0 CBADHO COCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](C)O ZINC001423641225 908300105 /nfs/dbraw/zinc/30/01/05/908300105.db2.gz LAWQJEKCFMELJD-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](C)O ZINC001423641225 908300123 /nfs/dbraw/zinc/30/01/23/908300123.db2.gz LAWQJEKCFMELJD-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001424492011 908463125 /nfs/dbraw/zinc/46/31/25/908463125.db2.gz UMHIVWDNADBXQP-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NCC(N)=O ZINC001424815207 908507810 /nfs/dbraw/zinc/50/78/10/908507810.db2.gz DXAZJZYJDVJNRP-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CCN1CCCC1=O ZINC001425003873 908548306 /nfs/dbraw/zinc/54/83/06/908548306.db2.gz CAUKNWSRVJFFEP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001425493945 908657601 /nfs/dbraw/zinc/65/76/01/908657601.db2.gz MPBPERDZGHPINV-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC ZINC001425665168 908687704 /nfs/dbraw/zinc/68/77/04/908687704.db2.gz TUNZLJHCKSHAAT-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC ZINC001425665168 908687707 /nfs/dbraw/zinc/68/77/07/908687707.db2.gz TUNZLJHCKSHAAT-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678049 908689303 /nfs/dbraw/zinc/68/93/03/908689303.db2.gz CWJCBGMSHVHZTI-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678049 908689314 /nfs/dbraw/zinc/68/93/14/908689314.db2.gz CWJCBGMSHVHZTI-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001425917566 908782408 /nfs/dbraw/zinc/78/24/08/908782408.db2.gz ONPLISFYZCBUSY-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001425917566 908782415 /nfs/dbraw/zinc/78/24/15/908782415.db2.gz ONPLISFYZCBUSY-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001425917564 908783513 /nfs/dbraw/zinc/78/35/13/908783513.db2.gz ONPLISFYZCBUSY-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001425917564 908783522 /nfs/dbraw/zinc/78/35/22/908783522.db2.gz ONPLISFYZCBUSY-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505683256 921466842 /nfs/dbraw/zinc/46/68/42/921466842.db2.gz YTZINRDHBYDTKL-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC ZINC001505725289 921472447 /nfs/dbraw/zinc/47/24/47/921472447.db2.gz RNTOWMALQHFJHH-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC ZINC001505725289 921472450 /nfs/dbraw/zinc/47/24/50/921472450.db2.gz RNTOWMALQHFJHH-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001430206820 909310658 /nfs/dbraw/zinc/31/06/58/909310658.db2.gz DYCTXHDTWUUKTH-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430206820 909310671 /nfs/dbraw/zinc/31/06/71/909310671.db2.gz DYCTXHDTWUUKTH-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCO ZINC001505920457 921501467 /nfs/dbraw/zinc/50/14/67/921501467.db2.gz NAKHRJYNJICUCS-WCQYABFASA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCO ZINC001505920458 921502503 /nfs/dbraw/zinc/50/25/03/921502503.db2.gz NAKHRJYNJICUCS-YPMHNXCESA-N 1 3 269.389 -0.243 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825282 910492864 /nfs/dbraw/zinc/49/28/64/910492864.db2.gz HHANCZUJKPUTQZ-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825282 910492883 /nfs/dbraw/zinc/49/28/83/910492883.db2.gz HHANCZUJKPUTQZ-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001436922694 910508656 /nfs/dbraw/zinc/50/86/56/910508656.db2.gz CQUWPGVKDIZOHG-IJLUTSLNSA-N 1 3 284.404 -0.301 20 0 CBADHO CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437198390 910582244 /nfs/dbraw/zinc/58/22/44/910582244.db2.gz BNOXRYFTDUEKFX-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001437198743 910583912 /nfs/dbraw/zinc/58/39/12/910583912.db2.gz JAFVKBASQYOXPF-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001437217338 910587553 /nfs/dbraw/zinc/58/75/53/910587553.db2.gz UERHQUMQASROKZ-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCNC1=O ZINC001437245340 910596149 /nfs/dbraw/zinc/59/61/49/910596149.db2.gz ZUZBBPPUDYVSKH-QWRGUYRKSA-N 1 3 280.372 -0.935 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001437260463 910603590 /nfs/dbraw/zinc/60/35/90/910603590.db2.gz LOSCPEWQQKRLRB-MNOVXSKESA-N 1 3 291.417 -0.923 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001437260463 910603596 /nfs/dbraw/zinc/60/35/96/910603596.db2.gz LOSCPEWQQKRLRB-MNOVXSKESA-N 1 3 291.417 -0.923 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001437312966 910613446 /nfs/dbraw/zinc/61/34/46/910613446.db2.gz JHUBISXLNYTFAE-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001437852811 910770283 /nfs/dbraw/zinc/77/02/83/910770283.db2.gz XIEOEQBUFGHXKP-OLZOCXBDSA-N 1 3 298.431 -0.149 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438381259 910887055 /nfs/dbraw/zinc/88/70/55/910887055.db2.gz WPHQUYFRSNXGCL-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438381259 910887057 /nfs/dbraw/zinc/88/70/57/910887057.db2.gz WPHQUYFRSNXGCL-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001438527501 910912342 /nfs/dbraw/zinc/91/23/42/910912342.db2.gz GHMLPCYEZHELQI-NEPJUHHUSA-N 1 3 284.404 -0.584 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001438527509 910914234 /nfs/dbraw/zinc/91/42/34/910914234.db2.gz GHMLPCYEZHELQI-VXGBXAGGSA-N 1 3 284.404 -0.584 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001438545774 910918267 /nfs/dbraw/zinc/91/82/67/910918267.db2.gz QWGRXTZDOJMJDG-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438608069 910927230 /nfs/dbraw/zinc/92/72/30/910927230.db2.gz RKANYRRDDUXXQK-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438673572 910952153 /nfs/dbraw/zinc/95/21/53/910952153.db2.gz NBAUQRPXRNDJEI-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC ZINC001438703808 910957424 /nfs/dbraw/zinc/95/74/24/910957424.db2.gz ANMHDZAFVXSLCC-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC ZINC001438703807 910959595 /nfs/dbraw/zinc/95/95/95/910959595.db2.gz ANMHDZAFVXSLCC-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141627 911114069 /nfs/dbraw/zinc/11/40/69/911114069.db2.gz BOCLLNRCQALULN-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001439182964 911130531 /nfs/dbraw/zinc/13/05/31/911130531.db2.gz XCQXLYHNLBOLAA-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001506896951 921636206 /nfs/dbraw/zinc/63/62/06/921636206.db2.gz DZOAOAGCHOGZEC-FDYHWXHSSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001439223133 911148086 /nfs/dbraw/zinc/14/80/86/911148086.db2.gz QLSADQHGWJLBBB-JQWIXIFHSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439254392 911153837 /nfs/dbraw/zinc/15/38/37/911153837.db2.gz DBRYZVFWGRIWTN-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001439257283 911154254 /nfs/dbraw/zinc/15/42/54/911154254.db2.gz YYUXKXNTISXRDE-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439282897 911164323 /nfs/dbraw/zinc/16/43/23/911164323.db2.gz OVGGQJSAIZZPCN-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439282897 911164339 /nfs/dbraw/zinc/16/43/39/911164339.db2.gz OVGGQJSAIZZPCN-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CCC1 ZINC001439885805 911305256 /nfs/dbraw/zinc/30/52/56/911305256.db2.gz GLRXOUFTVPIYDQ-AWEZNQCLSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001440024436 911350681 /nfs/dbraw/zinc/35/06/81/911350681.db2.gz RIXWZQOFNQDUOQ-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1 ZINC001440024436 911350658 /nfs/dbraw/zinc/35/06/58/911350658.db2.gz RIXWZQOFNQDUOQ-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001440019953 911350880 /nfs/dbraw/zinc/35/08/80/911350880.db2.gz QIMWVIMBDQRXOG-HNNXBMFYSA-N 1 3 299.415 -0.592 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001440286477 911424954 /nfs/dbraw/zinc/42/49/54/911424954.db2.gz VEISWJQXXIEXOE-SCRDCRAPSA-N 1 3 298.431 -0.197 20 0 CBADHO CNC(=O)CNC1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001440329832 911428005 /nfs/dbraw/zinc/42/80/05/911428005.db2.gz BLPJZGGXTDWXQJ-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001440586709 911475561 /nfs/dbraw/zinc/47/55/61/911475561.db2.gz FUOXQLPTXYRMKL-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001440767077 911509314 /nfs/dbraw/zinc/50/93/14/911509314.db2.gz YBCFVFRUDQDXTN-HIFPTAJRSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001440863474 911532425 /nfs/dbraw/zinc/53/24/25/911532425.db2.gz WCXGZBFDYWQQKF-WDEREUQCSA-N 1 3 272.393 -0.445 20 0 CBADHO CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248381 911630285 /nfs/dbraw/zinc/63/02/85/911630285.db2.gz AURWNADTJBHWLN-OLZOCXBDSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248381 911630307 /nfs/dbraw/zinc/63/03/07/911630307.db2.gz AURWNADTJBHWLN-OLZOCXBDSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001441300163 911641325 /nfs/dbraw/zinc/64/13/25/911641325.db2.gz NPDPEVRQHJDYAI-NSHDSACASA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001441451799 911673558 /nfs/dbraw/zinc/67/35/58/911673558.db2.gz YUOJKJPHOWTOHN-RAIGVLPGSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001441451799 911673566 /nfs/dbraw/zinc/67/35/66/911673566.db2.gz YUOJKJPHOWTOHN-RAIGVLPGSA-N 1 3 296.415 -0.362 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001441516232 911691857 /nfs/dbraw/zinc/69/18/57/911691857.db2.gz BKRLBJLWKUQQHN-TXEJJXNPSA-N 1 3 294.403 -0.106 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581794 911712605 /nfs/dbraw/zinc/71/26/05/911712605.db2.gz BVLMJFNVRVVOEE-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001441606247 911716269 /nfs/dbraw/zinc/71/62/69/911716269.db2.gz OKYSUWSVSNBSOZ-ZYHUDNBSSA-N 1 3 284.360 -0.604 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001441613225 911718234 /nfs/dbraw/zinc/71/82/34/911718234.db2.gz CUQSWRKDESYHEF-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507126864 921686433 /nfs/dbraw/zinc/68/64/33/921686433.db2.gz OKKYEUATCINMCM-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507126864 921686443 /nfs/dbraw/zinc/68/64/43/921686443.db2.gz OKKYEUATCINMCM-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507117092 921681550 /nfs/dbraw/zinc/68/15/50/921681550.db2.gz GLKWDLLJCJJCNT-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001441829366 911827620 /nfs/dbraw/zinc/82/76/20/911827620.db2.gz GBFGTGSUHDJRCA-GHMZBOCLSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841867 911837396 /nfs/dbraw/zinc/83/73/96/911837396.db2.gz RPSUAMFDKVXIGK-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441935386 911857893 /nfs/dbraw/zinc/85/78/93/911857893.db2.gz JVUFPHUGGTXOEJ-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001441938722 911859177 /nfs/dbraw/zinc/85/91/77/911859177.db2.gz JGTDZSDSDXUYQZ-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001441947319 911863331 /nfs/dbraw/zinc/86/33/31/911863331.db2.gz UKUUWIPBQLCVKO-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001441943487 911864035 /nfs/dbraw/zinc/86/40/35/911864035.db2.gz SYTSKNAFDGBQSD-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001442350239 911981825 /nfs/dbraw/zinc/98/18/25/911981825.db2.gz JPCNKFPGOYJUBY-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001443081691 912151665 /nfs/dbraw/zinc/15/16/65/912151665.db2.gz RWYBDDGVWSEPIA-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443090024 912151768 /nfs/dbraw/zinc/15/17/68/912151768.db2.gz IOIPROSBISUOCF-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443090024 912151772 /nfs/dbraw/zinc/15/17/72/912151772.db2.gz IOIPROSBISUOCF-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001443106258 912155363 /nfs/dbraw/zinc/15/53/63/912155363.db2.gz WCYHAZPALPPPRE-NSHDSACASA-N 1 3 270.377 -0.737 20 0 CBADHO CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001443093688 912155810 /nfs/dbraw/zinc/15/58/10/912155810.db2.gz AWYLFWZOFNCOHP-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107866 912157106 /nfs/dbraw/zinc/15/71/06/912157106.db2.gz ZIMNCNABPGZJQE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107866 912157116 /nfs/dbraw/zinc/15/71/16/912157116.db2.gz ZIMNCNABPGZJQE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443330154 912182674 /nfs/dbraw/zinc/18/26/74/912182674.db2.gz MGEARGZUXANOLX-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443331563 912184774 /nfs/dbraw/zinc/18/47/74/912184774.db2.gz MGEARGZUXANOLX-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443315007 912185571 /nfs/dbraw/zinc/18/55/71/912185571.db2.gz AUNFPVBRXNXVTE-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316832 921807376 /nfs/dbraw/zinc/80/73/76/921807376.db2.gz FHDVUEARYDLETQ-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001480065950 916277719 /nfs/dbraw/zinc/27/77/19/916277719.db2.gz LKRYLPMSKBHSTM-ZDUSSCGKSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001480117671 916291756 /nfs/dbraw/zinc/29/17/56/916291756.db2.gz RQGIZGPYLNETLX-WOPDTQHZSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC001480157954 916311073 /nfs/dbraw/zinc/31/10/73/916311073.db2.gz DYVYKCBBMHGOIK-BJDJZHNGSA-N 1 3 257.378 -0.056 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001480233512 916339354 /nfs/dbraw/zinc/33/93/54/916339354.db2.gz DLSVITQEENYJRR-PHIMTYICSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001480460869 916422910 /nfs/dbraw/zinc/42/29/10/916422910.db2.gz XZMPSCDYSZHWGN-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001480460869 916422915 /nfs/dbraw/zinc/42/29/15/916422915.db2.gz XZMPSCDYSZHWGN-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480475813 916433082 /nfs/dbraw/zinc/43/30/82/916433082.db2.gz UNNNMIFFZRWIGB-GHMZBOCLSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1cnn(C)c1 ZINC001480531040 916459562 /nfs/dbraw/zinc/45/95/62/916459562.db2.gz SYEUFXPQWKHVEK-NSHDSACASA-N 1 3 267.377 -0.034 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571560 916477495 /nfs/dbraw/zinc/47/74/95/916477495.db2.gz INXUFLMYFLYNLD-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571560 916477498 /nfs/dbraw/zinc/47/74/98/916477498.db2.gz INXUFLMYFLYNLD-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589789 916483522 /nfs/dbraw/zinc/48/35/22/916483522.db2.gz CLLWKKOLRMVBNX-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589789 916483526 /nfs/dbraw/zinc/48/35/26/916483526.db2.gz CLLWKKOLRMVBNX-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590823 916488104 /nfs/dbraw/zinc/48/81/04/916488104.db2.gz VNCDLSBHRXHIPJ-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590823 916488112 /nfs/dbraw/zinc/48/81/12/916488112.db2.gz VNCDLSBHRXHIPJ-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480597540 916489021 /nfs/dbraw/zinc/48/90/21/916489021.db2.gz QVZHWZJQPJPTJT-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO CN(CC(=O)N1CC[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001480647242 916510453 /nfs/dbraw/zinc/51/04/53/916510453.db2.gz BOCRLPPINWCWEW-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272437 916799073 /nfs/dbraw/zinc/79/90/73/916799073.db2.gz GHTTUXRLBMTSAJ-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315217 916815489 /nfs/dbraw/zinc/81/54/89/916815489.db2.gz SOQBBDCGRFKSSX-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315217 916815507 /nfs/dbraw/zinc/81/55/07/916815507.db2.gz SOQBBDCGRFKSSX-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314241 916816391 /nfs/dbraw/zinc/81/63/91/916816391.db2.gz BWSSQLSJABGERV-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314241 916816411 /nfs/dbraw/zinc/81/64/11/916816411.db2.gz BWSSQLSJABGERV-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCC(N)=O ZINC001481816506 916995467 /nfs/dbraw/zinc/99/54/67/916995467.db2.gz MGPHDLSIVOGONT-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCC(N)=O ZINC001481816506 916995470 /nfs/dbraw/zinc/99/54/70/916995470.db2.gz MGPHDLSIVOGONT-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC ZINC001481828549 916997032 /nfs/dbraw/zinc/99/70/32/916997032.db2.gz DSOMLCNOLWLPBG-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001481874163 917011955 /nfs/dbraw/zinc/01/19/55/917011955.db2.gz FFLBWMOIZVXXJY-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001481874163 917011971 /nfs/dbraw/zinc/01/19/71/917011971.db2.gz FFLBWMOIZVXXJY-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001481870490 917012388 /nfs/dbraw/zinc/01/23/88/917012388.db2.gz MYRLJZPCIDDRQM-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001481870490 917012398 /nfs/dbraw/zinc/01/23/98/917012398.db2.gz MYRLJZPCIDDRQM-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001482354441 917135634 /nfs/dbraw/zinc/13/56/34/917135634.db2.gz QTKNWOZJEARDBR-VHSXEESVSA-N 1 3 258.366 -0.752 20 0 CBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001482354438 917136616 /nfs/dbraw/zinc/13/66/16/917136616.db2.gz QTKNWOZJEARDBR-NXEZZACHSA-N 1 3 258.366 -0.752 20 0 CBADHO CC(C)C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394197 917142855 /nfs/dbraw/zinc/14/28/55/917142855.db2.gz OIFFHKZBNUHXAE-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)(C(=O)NC[C@@H](O)CNCCF)[NH+]1CCCC1 ZINC001482755037 917250717 /nfs/dbraw/zinc/25/07/17/917250717.db2.gz AVABIJHCMYEJAT-NSHDSACASA-N 1 3 275.368 -0.103 20 0 CBADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001482875757 917319980 /nfs/dbraw/zinc/31/99/80/917319980.db2.gz ZALKRSBODDUDBQ-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001482990706 917361533 /nfs/dbraw/zinc/36/15/33/917361533.db2.gz GQYWSHZKWKTVDK-ZZKXABKFSA-N 1 3 255.362 -0.275 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083619 917404659 /nfs/dbraw/zinc/40/46/59/917404659.db2.gz NBGLSTFKTVMHCI-AAOUONPWSA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001483135921 917429273 /nfs/dbraw/zinc/42/92/73/917429273.db2.gz WSRAHVMSTWSBAY-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483137066 917431135 /nfs/dbraw/zinc/43/11/35/917431135.db2.gz JTSWRCHHAKXHSI-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483137066 917431140 /nfs/dbraw/zinc/43/11/40/917431140.db2.gz JTSWRCHHAKXHSI-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001483241085 917485436 /nfs/dbraw/zinc/48/54/36/917485436.db2.gz XWAAEVPJCAMZKB-GARJFASQSA-N 1 3 272.393 -0.315 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)[NH+](C)C ZINC001483237222 917486659 /nfs/dbraw/zinc/48/66/59/917486659.db2.gz BIJWWOTYFVBIMW-AXFHLTTASA-N 1 3 272.393 -0.459 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483262150 917499204 /nfs/dbraw/zinc/49/92/04/917499204.db2.gz USQWILFGRCYNMS-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN(C)CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340335 917540983 /nfs/dbraw/zinc/54/09/83/917540983.db2.gz ZRJAPJBQJIWXGC-WCQYABFASA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC[N@@H+]1C ZINC001484235028 917777214 /nfs/dbraw/zinc/77/72/14/917777214.db2.gz FGNKRPZSMFFMCI-KCQAQPDRSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC[N@H+]1C ZINC001484235028 917777228 /nfs/dbraw/zinc/77/72/28/917777228.db2.gz FGNKRPZSMFFMCI-KCQAQPDRSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484368144 917836452 /nfs/dbraw/zinc/83/64/52/917836452.db2.gz BUMLWMAWSPQTNM-RYUDHWBXSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC(=O)N(C)C ZINC001485189664 918022853 /nfs/dbraw/zinc/02/28/53/918022853.db2.gz YEGAZISCWBQOIS-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485215235 918033664 /nfs/dbraw/zinc/03/36/64/918033664.db2.gz LUTNTDHJXRZACF-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001485739724 918176848 /nfs/dbraw/zinc/17/68/48/918176848.db2.gz YWTMZIZNDXMTND-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001485916521 918224714 /nfs/dbraw/zinc/22/47/14/918224714.db2.gz STDNOPOICVWNKA-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001485856920 918212290 /nfs/dbraw/zinc/21/22/90/918212290.db2.gz WAPVMJZQGKZGFW-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)N1CCC1 ZINC001485916124 918225378 /nfs/dbraw/zinc/22/53/78/918225378.db2.gz KLEHNJGZRHFKLD-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001485920039 918230478 /nfs/dbraw/zinc/23/04/78/918230478.db2.gz PZURDKXJIAEBCW-RYUDHWBXSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001485919704 918232180 /nfs/dbraw/zinc/23/21/80/918232180.db2.gz OAUDDVGVBHKQDQ-ZJUUUORDSA-N 1 3 258.366 -0.752 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001485954936 918239577 /nfs/dbraw/zinc/23/95/77/918239577.db2.gz BIHIHTOILRBCPT-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001485954936 918239588 /nfs/dbraw/zinc/23/95/88/918239588.db2.gz BIHIHTOILRBCPT-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCC(N)=O ZINC001485960330 918239985 /nfs/dbraw/zinc/23/99/85/918239985.db2.gz DRJYWLRHNDHNAV-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002527 918295814 /nfs/dbraw/zinc/29/58/14/918295814.db2.gz RZDARDXRPOYHKZ-NWDGAFQWSA-N 1 3 287.404 -0.428 20 0 CBADHO COCCN[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053285 918344579 /nfs/dbraw/zinc/34/45/79/918344579.db2.gz XUURCQGFTDLOKY-NEPJUHHUSA-N 1 3 273.377 -0.959 20 0 CBADHO COCCN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053285 918344595 /nfs/dbraw/zinc/34/45/95/918344595.db2.gz XUURCQGFTDLOKY-NEPJUHHUSA-N 1 3 273.377 -0.959 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001486084941 918357468 /nfs/dbraw/zinc/35/74/68/918357468.db2.gz MZYVWGZQMTVZGV-ZJUUUORDSA-N 1 3 256.350 -0.998 20 0 CBADHO CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)Cc1c[nH]cn1 ZINC001486301493 918417601 /nfs/dbraw/zinc/41/76/01/918417601.db2.gz PATLNWPORKDBGB-GFCCVEGCSA-N 1 3 266.345 -0.229 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001486468011 918467462 /nfs/dbraw/zinc/46/74/62/918467462.db2.gz WYMUDROREFDOEU-UHFFFAOYSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001486481618 918472805 /nfs/dbraw/zinc/47/28/05/918472805.db2.gz WBNUPGDLHGZXOV-UHFFFAOYSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358245 918897692 /nfs/dbraw/zinc/89/76/92/918897692.db2.gz WXCWTSSOKDJBHL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001490358245 918897698 /nfs/dbraw/zinc/89/76/98/918897698.db2.gz WXCWTSSOKDJBHL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCO)C1 ZINC001490570063 918942582 /nfs/dbraw/zinc/94/25/82/918942582.db2.gz PMMDKSPNCYYUBA-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCO)C1 ZINC001490570063 918942595 /nfs/dbraw/zinc/94/25/95/918942595.db2.gz PMMDKSPNCYYUBA-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001491073062 919024154 /nfs/dbraw/zinc/02/41/54/919024154.db2.gz DGINCWAWZSBZQK-TUAOUCFPSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001491326390 919112675 /nfs/dbraw/zinc/11/26/75/919112675.db2.gz PFLJOHIYNKJBBE-FPYNETTCSA-N 1 3 294.399 -0.739 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001491326390 919112684 /nfs/dbraw/zinc/11/26/84/919112684.db2.gz PFLJOHIYNKJBBE-FPYNETTCSA-N 1 3 294.399 -0.739 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001491326391 919112971 /nfs/dbraw/zinc/11/29/71/919112971.db2.gz PFLJOHIYNKJBBE-OBPIAQAESA-N 1 3 294.399 -0.739 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001491326391 919112980 /nfs/dbraw/zinc/11/29/80/919112980.db2.gz PFLJOHIYNKJBBE-OBPIAQAESA-N 1 3 294.399 -0.739 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC ZINC001491474595 919179039 /nfs/dbraw/zinc/17/90/39/919179039.db2.gz VLTXPCNSRLEIAP-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC ZINC001491474595 919179047 /nfs/dbraw/zinc/17/90/47/919179047.db2.gz VLTXPCNSRLEIAP-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC ZINC001491474599 919179377 /nfs/dbraw/zinc/17/93/77/919179377.db2.gz VLTXPCNSRLEIAP-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC ZINC001491474599 919179379 /nfs/dbraw/zinc/17/93/79/919179379.db2.gz VLTXPCNSRLEIAP-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001491529035 919191941 /nfs/dbraw/zinc/19/19/41/919191941.db2.gz RELVSETUQKNNSI-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCO ZINC001491580962 919214822 /nfs/dbraw/zinc/21/48/22/919214822.db2.gz YBDUGJXLOVHMRL-NWDGAFQWSA-N 1 3 257.378 -0.195 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001491630074 919239600 /nfs/dbraw/zinc/23/96/00/919239600.db2.gz DSEMYEMTURVJFL-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001491630074 919239610 /nfs/dbraw/zinc/23/96/10/919239610.db2.gz DSEMYEMTURVJFL-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640765 919240438 /nfs/dbraw/zinc/24/04/38/919240438.db2.gz LVPQQPLUMGHIMM-GFCCVEGCSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491684567 919251070 /nfs/dbraw/zinc/25/10/70/919251070.db2.gz WOCUVFKYZPVXLV-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672796 919252984 /nfs/dbraw/zinc/25/29/84/919252984.db2.gz JCKDACJDAOHRQJ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672796 919252999 /nfs/dbraw/zinc/25/29/99/919252999.db2.gz JCKDACJDAOHRQJ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858984 919292378 /nfs/dbraw/zinc/29/23/78/919292378.db2.gz NPOSGBHEBYCWEB-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549060 919578870 /nfs/dbraw/zinc/57/88/70/919578870.db2.gz CKLSUCXHPQMHQI-JQWIXIFHSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCO)CCC1 ZINC001493574122 919583312 /nfs/dbraw/zinc/58/33/12/919583312.db2.gz BVEYCLSINYAPSE-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493654360 919598564 /nfs/dbraw/zinc/59/85/64/919598564.db2.gz YITBMDUKWXOKNX-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001493681621 919604736 /nfs/dbraw/zinc/60/47/36/919604736.db2.gz NFZCNDKAXHHTJL-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001493754210 919617225 /nfs/dbraw/zinc/61/72/25/919617225.db2.gz ZNDIDZKQFGWAAT-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001493754210 919617243 /nfs/dbraw/zinc/61/72/43/919617243.db2.gz ZNDIDZKQFGWAAT-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762109 919618080 /nfs/dbraw/zinc/61/80/80/919618080.db2.gz QAUYOPVAFSRHIB-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493762109 919618091 /nfs/dbraw/zinc/61/80/91/919618091.db2.gz QAUYOPVAFSRHIB-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170573 919666788 /nfs/dbraw/zinc/66/67/88/919666788.db2.gz DHELAZUIGQZYGK-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170573 919666793 /nfs/dbraw/zinc/66/67/93/919666793.db2.gz DHELAZUIGQZYGK-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC ZINC001494981754 919830964 /nfs/dbraw/zinc/83/09/64/919830964.db2.gz SOVTUGDQZOTNRO-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCO ZINC001494995512 919837019 /nfs/dbraw/zinc/83/70/19/919837019.db2.gz VKNCWBKKRLHHNG-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001495953433 919991642 /nfs/dbraw/zinc/99/16/42/919991642.db2.gz AYZNACRAGNOYHD-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001495953433 919991658 /nfs/dbraw/zinc/99/16/58/919991658.db2.gz AYZNACRAGNOYHD-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496055422 920020015 /nfs/dbraw/zinc/02/00/15/920020015.db2.gz LRGQXZGJZNCQDF-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496055422 920020024 /nfs/dbraw/zinc/02/00/24/920020024.db2.gz LRGQXZGJZNCQDF-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001497033720 920219491 /nfs/dbraw/zinc/21/94/91/920219491.db2.gz SLZMTXUCTWLFSK-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CCCN1C ZINC001497362798 920292831 /nfs/dbraw/zinc/29/28/31/920292831.db2.gz VBGFSZBKDKSEHU-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@H]([NH2+]CCN(CC)C(=O)CN1CCCC1)C(N)=O ZINC001497496252 920309488 /nfs/dbraw/zinc/30/94/88/920309488.db2.gz USGLFOAXDAKEOH-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001497486637 920311051 /nfs/dbraw/zinc/31/10/51/920311051.db2.gz OZARJAUMVOAYNV-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO CC[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729709 920378253 /nfs/dbraw/zinc/37/82/53/920378253.db2.gz HVDJULYCJVBXAJ-AIMRDXAKSA-N 1 3 296.415 -0.146 20 0 CBADHO CC[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729709 920378271 /nfs/dbraw/zinc/37/82/71/920378271.db2.gz HVDJULYCJVBXAJ-AIMRDXAKSA-N 1 3 296.415 -0.146 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001497827956 920403873 /nfs/dbraw/zinc/40/38/73/920403873.db2.gz PUWNRVMXRPFPEM-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001497836273 920406756 /nfs/dbraw/zinc/40/67/56/920406756.db2.gz UXEJTPPDGXPVLF-IJLUTSLNSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497992947 920434365 /nfs/dbraw/zinc/43/43/65/920434365.db2.gz JZESWQRLFZXWAK-GHMZBOCLSA-N 1 3 298.387 -0.774 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498051066 920461942 /nfs/dbraw/zinc/46/19/42/920461942.db2.gz MIRJODGGMWBGGT-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498051066 920461952 /nfs/dbraw/zinc/46/19/52/920461952.db2.gz MIRJODGGMWBGGT-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498151722 920499420 /nfs/dbraw/zinc/49/94/20/920499420.db2.gz OKNQVHHUHPEYNG-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001498169189 920510033 /nfs/dbraw/zinc/51/00/33/920510033.db2.gz YHSLJESTCCNOCZ-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001498586405 920612569 /nfs/dbraw/zinc/61/25/69/920612569.db2.gz NZBASRYMQXWZBR-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)CCC1 ZINC001498768905 920639072 /nfs/dbraw/zinc/63/90/72/920639072.db2.gz FOQQDHWIQUVUHZ-LLVKDONJSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448933 920748048 /nfs/dbraw/zinc/74/80/48/920748048.db2.gz XMAZICCKNPBRJD-WDEREUQCSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448933 920748062 /nfs/dbraw/zinc/74/80/62/920748062.db2.gz XMAZICCKNPBRJD-WDEREUQCSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499926457 920784119 /nfs/dbraw/zinc/78/41/19/920784119.db2.gz JLTKOYGKSOOYRQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499926457 920784130 /nfs/dbraw/zinc/78/41/30/920784130.db2.gz JLTKOYGKSOOYRQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CCOCCN1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500763242 920880091 /nfs/dbraw/zinc/88/00/91/920880091.db2.gz UCAIOBQLRONHEG-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO CCOCCN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500763242 920880106 /nfs/dbraw/zinc/88/01/06/920880106.db2.gz UCAIOBQLRONHEG-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501088240 920945385 /nfs/dbraw/zinc/94/53/85/920945385.db2.gz YAFBSRPPGVEHRR-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001501084378 920946552 /nfs/dbraw/zinc/94/65/52/920946552.db2.gz UTIZQMUUFGZJMA-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001507329476 921812999 /nfs/dbraw/zinc/81/29/99/921812999.db2.gz VJRIBPMYMHBIAI-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442637 921822845 /nfs/dbraw/zinc/82/28/45/921822845.db2.gz IOWQCADWLFXFHS-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442635 921824253 /nfs/dbraw/zinc/82/42/53/921824253.db2.gz IOWQCADWLFXFHS-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001514838205 922222083 /nfs/dbraw/zinc/22/20/83/922222083.db2.gz HWXSZYYCIYKNKY-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001515318443 922230948 /nfs/dbraw/zinc/23/09/48/922230948.db2.gz LSZNZNBAMPLOTM-QJPTWQEYSA-N 1 3 255.362 -0.219 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001515319696 922233199 /nfs/dbraw/zinc/23/31/99/922233199.db2.gz XLVFXGKPVHQWRV-FDYHWXHSSA-N 1 3 267.373 -0.219 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001521513418 922365315 /nfs/dbraw/zinc/36/53/15/922365315.db2.gz VKGMCJIJHGEPON-AAEUAGOBSA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@@H]1NCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001521526729 922366292 /nfs/dbraw/zinc/36/62/92/922366292.db2.gz HCVJNHDRJBJDLX-GMXVVIOVSA-N 1 3 255.362 -0.300 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740977 922377694 /nfs/dbraw/zinc/37/76/94/922377694.db2.gz RPQHWDYWYKQMBR-NEPJUHHUSA-N 1 3 266.389 -0.319 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001521971079 922392903 /nfs/dbraw/zinc/39/29/03/922392903.db2.gz CQALIUJOZPFINV-GUBZILKMSA-N 1 3 257.309 -0.819 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001521975400 922392989 /nfs/dbraw/zinc/39/29/89/922392989.db2.gz SCYZQJNSRJMCJX-GYSYKLTISA-N 1 3 265.357 -0.234 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001521971090 922393964 /nfs/dbraw/zinc/39/39/64/922393964.db2.gz CQALIUJOZPFINV-UTLUCORTSA-N 1 3 257.309 -0.819 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001522278857 922404497 /nfs/dbraw/zinc/40/44/97/922404497.db2.gz OONHETLIPMABTO-SRVKXCTJSA-N 1 3 254.378 -0.476 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1CC[NH3+] ZINC001522596075 922480586 /nfs/dbraw/zinc/48/05/86/922480586.db2.gz BILYRNJOUIJZQV-IJLUTSLNSA-N 1 3 255.362 -0.192 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001522705069 922506414 /nfs/dbraw/zinc/50/64/14/922506414.db2.gz DEPNTMOBQFSTGK-VIFPVBQESA-N 1 3 251.334 -0.312 20 0 CBADHO CC1(C)CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1[NH3+] ZINC001522708408 922508453 /nfs/dbraw/zinc/50/84/53/922508453.db2.gz SDRYYAKUQUZWDY-SNVBAGLBSA-N 1 3 263.345 -0.135 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001522765413 922517183 /nfs/dbraw/zinc/51/71/83/922517183.db2.gz TWMCCMGJXKFTQJ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001522765413 922517193 /nfs/dbraw/zinc/51/71/93/922517193.db2.gz TWMCCMGJXKFTQJ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H](N)CC[NH+](C)C ZINC001522823514 922528441 /nfs/dbraw/zinc/52/84/41/922528441.db2.gz CBGDADFNWLDHMJ-YFKTTZPYSA-N 1 3 256.394 -0.137 20 0 CBADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC001548554553 923375352 /nfs/dbraw/zinc/37/53/52/923375352.db2.gz ALELIQUXEOGOIG-NOZJJQNGSA-N 1 3 278.356 -0.118 20 0 CBADHO CN1CCNC[C@H]1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001548555175 923379830 /nfs/dbraw/zinc/37/98/30/923379830.db2.gz KNXZWZIFJBQOCT-RISCZKNCSA-N 1 3 289.383 -0.260 20 0 CBADHO CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001548558679 923381725 /nfs/dbraw/zinc/38/17/25/923381725.db2.gz PRPJMUOSCXEWEV-GJZGRUSLSA-N 1 3 288.395 -0.107 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575578 923400247 /nfs/dbraw/zinc/40/02/47/923400247.db2.gz FTGCQZPEPSQHGS-MNOVXSKESA-N 1 3 285.388 -0.818 20 0 CBADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575577 923401374 /nfs/dbraw/zinc/40/13/74/923401374.db2.gz FTGCQZPEPSQHGS-GHMZBOCLSA-N 1 3 285.388 -0.818 20 0 CBADHO CC(C)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548623848 923412513 /nfs/dbraw/zinc/41/25/13/923412513.db2.gz HMGZMQMAAZYAST-ZIAGYGMSSA-N 1 3 280.416 -0.073 20 0 CBADHO CC(C)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548623848 923412523 /nfs/dbraw/zinc/41/25/23/923412523.db2.gz HMGZMQMAAZYAST-ZIAGYGMSSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679479 923443446 /nfs/dbraw/zinc/44/34/46/923443446.db2.gz RGPSEXPCSOVYQV-CHWSQXEVSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679479 923443459 /nfs/dbraw/zinc/44/34/59/923443459.db2.gz RGPSEXPCSOVYQV-CHWSQXEVSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679679 923444227 /nfs/dbraw/zinc/44/42/27/923444227.db2.gz RGPSEXPCSOVYQV-QWHCGFSZSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679679 923444235 /nfs/dbraw/zinc/44/42/35/923444235.db2.gz RGPSEXPCSOVYQV-QWHCGFSZSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699346 923459715 /nfs/dbraw/zinc/45/97/15/923459715.db2.gz CCUOJHAZYRHCSV-OLZOCXBDSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699346 923459718 /nfs/dbraw/zinc/45/97/18/923459718.db2.gz CCUOJHAZYRHCSV-OLZOCXBDSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711052 923465481 /nfs/dbraw/zinc/46/54/81/923465481.db2.gz QMCFQJXUIHWODX-MCIONIFRSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711052 923465487 /nfs/dbraw/zinc/46/54/87/923465487.db2.gz QMCFQJXUIHWODX-MCIONIFRSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001548703592 923466386 /nfs/dbraw/zinc/46/63/86/923466386.db2.gz GAGZYRKEFUKYEG-MCIONIFRSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001548703592 923466394 /nfs/dbraw/zinc/46/63/94/923466394.db2.gz GAGZYRKEFUKYEG-MCIONIFRSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750070 923494496 /nfs/dbraw/zinc/49/44/96/923494496.db2.gz MJBNSMAQOHNSDD-JSGCOSHPSA-N 1 3 269.389 -0.147 20 0 CBADHO CC(C)(C)[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044523 923529973 /nfs/dbraw/zinc/52/99/73/923529973.db2.gz UFUORWCVYJJPIS-NEPJUHHUSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001549047687 923547895 /nfs/dbraw/zinc/54/78/95/923547895.db2.gz WKRSZCMKHSVKTC-OCCSQVGLSA-N 1 3 292.387 -0.100 20 0 CBADHO CCN1CCN(CCC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001549075276 923554544 /nfs/dbraw/zinc/55/45/44/923554544.db2.gz QVIIULXRWQXPLA-CQSZACIVSA-N 1 3 298.431 -0.410 20 0 CBADHO CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCN(C)C1 ZINC001549211092 923571607 /nfs/dbraw/zinc/57/16/07/923571607.db2.gz TYTYDBMYBDJQGU-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO NC1(C(=O)NCc2cccc(N3CC[C@@H]([NH3+])C3)n2)CC1 ZINC001549725561 923630359 /nfs/dbraw/zinc/63/03/59/923630359.db2.gz ARIMHCBVTQUCMY-SNVBAGLBSA-N 1 3 275.356 -0.274 20 0 CBADHO C[C@H](N)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729051 923632185 /nfs/dbraw/zinc/63/21/85/923632185.db2.gz XXLCKHISFPJGPM-PEXQALLHSA-N 1 3 268.361 -0.903 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550081009 923670736 /nfs/dbraw/zinc/67/07/36/923670736.db2.gz JPCGUSHRUVKIQV-NSHDSACASA-N 1 3 277.372 -0.002 20 0 CBADHO CC(C)(C)[C@@H](N)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087480 923673086 /nfs/dbraw/zinc/67/30/86/923673086.db2.gz VOJQEIRJVFXLHA-MNOVXSKESA-N 1 3 280.376 -0.198 20 0 CBADHO CCC[C@H](N)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088492 923674889 /nfs/dbraw/zinc/67/48/89/923674889.db2.gz PUXAPKGCSOKIJI-MNOVXSKESA-N 1 3 266.349 -0.444 20 0 CBADHO C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550094846 923677915 /nfs/dbraw/zinc/67/79/15/923677915.db2.gz AGHIVKZEHHCJEY-JOYOIKCWSA-N 1 3 278.360 -0.349 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC1 ZINC001550095997 923677966 /nfs/dbraw/zinc/67/79/66/923677966.db2.gz SUDKKXJQRWUODY-LBPRGKRZSA-N 1 3 292.387 -0.148 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096311 923678739 /nfs/dbraw/zinc/67/87/39/923678739.db2.gz KFUPHUPMZHNLDA-WCQGTBRESA-N 1 3 278.360 -0.492 20 0 CBADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096102 923678766 /nfs/dbraw/zinc/67/87/66/923678766.db2.gz VTRRNYGJHKZMIP-KOLCDFICSA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC001550094644 923678820 /nfs/dbraw/zinc/67/88/20/923678820.db2.gz XQADHHABHPWCPB-JSGCOSHPSA-N 1 3 292.387 -0.100 20 0 CBADHO CC[NH2+]CC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550097501 923681583 /nfs/dbraw/zinc/68/15/83/923681583.db2.gz RCEKHLMHUUZHAA-JTQLQIEISA-N 1 3 252.322 -0.880 20 0 CBADHO C[C@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550097331 923682216 /nfs/dbraw/zinc/68/22/16/923682216.db2.gz KMWUUMXIAKKUTH-YPMHNXCESA-N 1 3 278.360 -0.490 20 0 CBADHO [NH3+]CC12CC(NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)(C1)C2 ZINC001550118202 923689864 /nfs/dbraw/zinc/68/98/64/923689864.db2.gz PXRSHIFWEVDWFD-UJLSLHKQSA-N 1 3 265.357 -0.153 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194983 923709541 /nfs/dbraw/zinc/70/95/41/923709541.db2.gz TXKJJKNDDSAJLU-QWRGUYRKSA-N 1 3 271.361 -0.765 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC001550204862 923710147 /nfs/dbraw/zinc/71/01/47/923710147.db2.gz UATYXVKIPQIBLF-NEPJUHHUSA-N 1 3 294.399 -0.334 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550290428 923717150 /nfs/dbraw/zinc/71/71/50/923717150.db2.gz GCNOYBHECGXUTI-VYHDIPPYSA-N 1 3 296.415 -0.117 20 0 CBADHO [NH3+]C[C@@]12CCC[C@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC001550440057 923730796 /nfs/dbraw/zinc/73/07/96/923730796.db2.gz UQTGUWOCMPCBJH-NWDGAFQWSA-N 1 3 288.417 -0.803 20 0 CBADHO CN1[C@H](CO)C[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550744581 923743906 /nfs/dbraw/zinc/74/39/06/923743906.db2.gz PHRUCBJVRAJDBB-GOIIMFGCSA-N 1 3 294.399 -0.555 20 0 CBADHO CCCNC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913914 923755227 /nfs/dbraw/zinc/75/52/27/923755227.db2.gz RDNFGORYAJADSH-SWLSCSKDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CCN(C)CC1 ZINC001552087442 923829655 /nfs/dbraw/zinc/82/96/55/923829655.db2.gz WAFHBOXCIDNYGP-LBPRGKRZSA-N 1 3 292.387 -0.021 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552159232 923838677 /nfs/dbraw/zinc/83/86/77/923838677.db2.gz VPRNOZYJGDJOOJ-YNEHKIRRSA-N 1 3 267.373 -0.273 20 0 CBADHO O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCN2CCC[C@H]2C1 ZINC001552177197 923845890 /nfs/dbraw/zinc/84/58/90/923845890.db2.gz CQBIQSWGRWSMLP-NEPJUHHUSA-N 1 3 290.371 -0.267 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200989 923857862 /nfs/dbraw/zinc/85/78/62/923857862.db2.gz YPBFQYQNAMEOLA-NQBHXWOUSA-N 1 3 253.346 -0.567 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552203567 923865040 /nfs/dbraw/zinc/86/50/40/923865040.db2.gz FZUFRIWOZDXMJC-OUCADQQQSA-N 1 3 283.372 -0.989 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCC[NH2+]C2)n1 ZINC001552435399 923905593 /nfs/dbraw/zinc/90/55/93/923905593.db2.gz AXDFOHSJCFGTLL-SECBINFHSA-N 1 3 279.344 -0.353 20 0 CBADHO Cc1c(C(=O)N2CC[C@H](F)[C@H](N)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440181 923908958 /nfs/dbraw/zinc/90/89/58/923908958.db2.gz RUQQYILKVJEQQD-GARJFASQSA-N 1 3 296.350 -0.368 20 0 CBADHO Cc1c(C(=O)N2CC[C@H](F)[C@H](N)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440182 923909892 /nfs/dbraw/zinc/90/98/92/923909892.db2.gz RUQQYILKVJEQQD-OUAUKWLOSA-N 1 3 296.350 -0.368 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCCN(CCO)C2)C1 ZINC001552979473 923930961 /nfs/dbraw/zinc/93/09/61/923930961.db2.gz ZGKATOJSHMSWRI-CQSZACIVSA-N 1 3 298.431 -0.947 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCCN(CCO)C2)C1 ZINC001552979473 923930973 /nfs/dbraw/zinc/93/09/73/923930973.db2.gz ZGKATOJSHMSWRI-CQSZACIVSA-N 1 3 298.431 -0.947 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C[C@H](C)N1 ZINC001553358709 923961822 /nfs/dbraw/zinc/96/18/22/923961822.db2.gz PPVYSEVXDXVHBL-XFMPKHEZSA-N 1 3 280.416 -0.264 20 0 CBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@@H]1F ZINC001553406283 923982004 /nfs/dbraw/zinc/98/20/04/923982004.db2.gz DOMDQNZWQCCNCR-GEVSDDDWSA-N 1 3 257.309 -0.597 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409735 923984228 /nfs/dbraw/zinc/98/42/28/923984228.db2.gz KDYGCQNINNDUFF-MELADBBJSA-N 1 3 297.399 -0.267 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCN1C ZINC001553429287 923996721 /nfs/dbraw/zinc/99/67/21/923996721.db2.gz JYVXALIUESVIDK-LDMBFOFVSA-N 1 3 253.346 -0.285 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC001553494653 924010177 /nfs/dbraw/zinc/01/01/77/924010177.db2.gz CINZDDWPDGQSQR-MJBXVCDLSA-N 1 3 296.415 -0.036 20 0 CBADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1CNCCO1)C2 ZINC001553499980 924011996 /nfs/dbraw/zinc/01/19/96/924011996.db2.gz AFDWUYIWLYCLGU-FOGDFJRCSA-N 1 3 254.334 -0.893 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553498337 924013614 /nfs/dbraw/zinc/01/36/14/924013614.db2.gz TXRVQEFKUGCGBD-JHJVBQTASA-N 1 3 284.404 -0.036 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553501160 924013645 /nfs/dbraw/zinc/01/36/45/924013645.db2.gz GEEXXHDFQVCJCR-UPJWGTAASA-N 1 3 282.388 -0.384 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553499397 924014370 /nfs/dbraw/zinc/01/43/70/924014370.db2.gz BCHDGNFCFQNKSG-YNEHKIRRSA-N 1 3 284.404 -0.036 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553502027 924016097 /nfs/dbraw/zinc/01/60/97/924016097.db2.gz JJEBIGFWYKANAL-AGIUHOORSA-N 1 3 282.388 -0.242 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553501932 924016264 /nfs/dbraw/zinc/01/62/64/924016264.db2.gz IUTDGPVLTUJNCG-RYUDHWBXSA-N 1 3 298.387 -0.957 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553501571 924016472 /nfs/dbraw/zinc/01/64/72/924016472.db2.gz GFCYVPDNCSSOGX-MELADBBJSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553505185 924017143 /nfs/dbraw/zinc/01/71/43/924017143.db2.gz SAKCLNFQXHTTFO-TZMCWYRMSA-N 1 3 282.388 -0.098 20 0 CBADHO [NH3+]CC1CC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553537180 924028332 /nfs/dbraw/zinc/02/83/32/924028332.db2.gz FUGUJBNRVSXLLO-NWINJMCUSA-N 1 3 296.415 -0.036 20 0 CBADHO [NH3+]C1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553541300 924029098 /nfs/dbraw/zinc/02/90/98/924029098.db2.gz XGKSFUHFPKYDGW-RYUDHWBXSA-N 1 3 282.388 -0.282 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC2(C[NH3+])CCCC2)CC1=O ZINC000237161844 282103380 /nfs/dbraw/zinc/10/33/80/282103380.db2.gz UNBXIFVFSDTFGL-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH3+])CCC2)CC1=O ZINC000342606485 230231954 /nfs/dbraw/zinc/23/19/54/230231954.db2.gz MMBQZMOQXIWKIQ-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H](CNC(=O)NCCN1CCC1)C[NH+]1CCN(C)CC1 ZINC000337657066 214200070 /nfs/dbraw/zinc/20/00/70/214200070.db2.gz NXIVVKCGQWVYSQ-AWEZNQCLSA-N 1 3 297.447 -0.125 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337413046 282129344 /nfs/dbraw/zinc/12/93/44/282129344.db2.gz ODIBBGVFLHVPFS-YPMHNXCESA-N 1 3 272.393 -0.308 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000337790325 214264093 /nfs/dbraw/zinc/26/40/93/214264093.db2.gz BWJTUDUTFXYRQV-KGLIPLIRSA-N 1 3 298.431 -0.364 20 0 CBADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000337710179 282142555 /nfs/dbraw/zinc/14/25/55/282142555.db2.gz BEOHJOMJRVQVSE-BXUZGUMPSA-N 1 3 284.404 -0.165 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351561543 282183755 /nfs/dbraw/zinc/18/37/55/282183755.db2.gz YYHOWTPRTBOOPE-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[NH+](CC)CCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126069927 187215453 /nfs/dbraw/zinc/21/54/53/187215453.db2.gz UASQXXIWWOMMOE-ZDUSSCGKSA-N 1 3 286.420 -0.066 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1CC[NH+](C)CC1 ZINC000126276427 187230006 /nfs/dbraw/zinc/23/00/06/187230006.db2.gz COLRKRAVFYHKOA-ZDUSSCGKSA-N 1 3 284.404 -0.456 20 0 CBADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCSC1 ZINC000333139142 282230136 /nfs/dbraw/zinc/23/01/36/282230136.db2.gz CUAMPFKZFADXNQ-MPPDQPJWSA-N 1 3 284.429 -0.059 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000423234643 282251784 /nfs/dbraw/zinc/25/17/84/282251784.db2.gz MFPKBZWPRBJZJG-LBPRGKRZSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000376923889 529902386 /nfs/dbraw/zinc/90/23/86/529902386.db2.gz UUNBIXFFSBIGAF-CQSZACIVSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000376923889 529902388 /nfs/dbraw/zinc/90/23/88/529902388.db2.gz UUNBIXFFSBIGAF-CQSZACIVSA-N 1 3 280.416 -0.071 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000351544730 219121700 /nfs/dbraw/zinc/12/17/00/219121700.db2.gz VMBVGJMLVCKBML-ZDUSSCGKSA-N 1 3 294.399 -0.402 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351546307 219122055 /nfs/dbraw/zinc/12/20/55/219122055.db2.gz YREMMGNVTFAMGZ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351546306 219123019 /nfs/dbraw/zinc/12/30/19/219123019.db2.gz YREMMGNVTFAMGZ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000351556825 219126123 /nfs/dbraw/zinc/12/61/23/219126123.db2.gz HNAWCGKZSBPABA-UTUOFQBUSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351561547 219126840 /nfs/dbraw/zinc/12/68/40/219126840.db2.gz YYMLBDXWDKHBEI-WXHSDQCUSA-N 1 3 294.399 -0.547 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351569028 219130935 /nfs/dbraw/zinc/13/09/35/219130935.db2.gz NJRXRJWRYGYHOY-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000576463543 335206978 /nfs/dbraw/zinc/20/69/78/335206978.db2.gz OSSMPHUHONFYST-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649912 219162263 /nfs/dbraw/zinc/16/22/63/219162263.db2.gz NLOJBPPUHTYBMK-ZDUSSCGKSA-N 1 3 272.389 -0.085 20 0 CBADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1(CO)CCOCC1 ZINC000351649912 219162264 /nfs/dbraw/zinc/16/22/64/219162264.db2.gz NLOJBPPUHTYBMK-ZDUSSCGKSA-N 1 3 272.389 -0.085 20 0 CBADHO COC[C@]1(CNC(=O)C(C)S(C)(=O)=O)CCC[NH2+]1 ZINC000261592100 293292204 /nfs/dbraw/zinc/29/22/04/293292204.db2.gz YFFVJJGPPQWPLM-GXSJLCMTSA-N 1 3 278.374 -0.696 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCOCC2)C1 ZINC000351853184 219226870 /nfs/dbraw/zinc/22/68/70/219226870.db2.gz OERWMTWVSIMAIB-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000351996818 219281926 /nfs/dbraw/zinc/28/19/26/219281926.db2.gz VRDMTKQJBPDWNT-JQWIXIFHSA-N 1 3 272.393 -0.425 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000339580650 215255530 /nfs/dbraw/zinc/25/55/30/215255530.db2.gz IZUZTHIQEFRYIJ-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCCC[NH+]1CCCC1 ZINC000091299341 180126144 /nfs/dbraw/zinc/12/61/44/180126144.db2.gz HKPQSXWXZIRGKW-LBPRGKRZSA-N 1 3 255.362 -0.033 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091300380 180127671 /nfs/dbraw/zinc/12/76/71/180127671.db2.gz WFNRVPCCBONVLC-DGCLKSJQSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000091300380 180127673 /nfs/dbraw/zinc/12/76/73/180127673.db2.gz WFNRVPCCBONVLC-DGCLKSJQSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000092135649 180332787 /nfs/dbraw/zinc/33/27/87/180332787.db2.gz WUECPPSNZMAXAD-GFCCVEGCSA-N 1 3 256.394 -0.404 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1=O ZINC000129980620 187464483 /nfs/dbraw/zinc/46/44/83/187464483.db2.gz BFVWIMLNGNXDCY-QWHCGFSZSA-N 1 3 296.415 -0.488 20 0 CBADHO CN1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042171270 351427892 /nfs/dbraw/zinc/42/78/92/351427892.db2.gz QACWFBDFBVSNPY-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H](C)N)N1CCN(C)CC1 ZINC000040770463 351418072 /nfs/dbraw/zinc/41/80/72/351418072.db2.gz GKNDJSKGRRQDLR-NWDGAFQWSA-N 1 3 256.394 -0.278 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H](C)[NH3+])N1CCN(C)CC1 ZINC000040770463 351418076 /nfs/dbraw/zinc/41/80/76/351418076.db2.gz GKNDJSKGRRQDLR-NWDGAFQWSA-N 1 3 256.394 -0.278 20 0 CBADHO CN1CCN(CCCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000040808863 351418868 /nfs/dbraw/zinc/41/88/68/351418868.db2.gz ZKRMSOTYDRMLRF-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973503 351578126 /nfs/dbraw/zinc/57/81/26/351578126.db2.gz CJKWUIOLBDGFKV-FRRDWIJNSA-N 1 3 267.373 -0.204 20 0 CBADHO C[C@@H](C(=O)NC1CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180392 351581962 /nfs/dbraw/zinc/58/19/62/351581962.db2.gz SRHYEMINTYZBQQ-QWRGUYRKSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174614 351635704 /nfs/dbraw/zinc/63/57/04/351635704.db2.gz YVUAMQCMEJMXFQ-ZJUUUORDSA-N 1 3 256.350 -0.109 20 0 CBADHO COCCOCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070481631 351640279 /nfs/dbraw/zinc/64/02/79/351640279.db2.gz VMCLWQXLSGUHPM-GFCCVEGCSA-N 1 3 273.377 -0.564 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)O1 ZINC000094573150 351763947 /nfs/dbraw/zinc/76/39/47/351763947.db2.gz XRTGPLKHNBNGAT-LOWDOPEQSA-N 1 3 283.372 -0.528 20 0 CBADHO CN(CCNC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000111758620 351805666 /nfs/dbraw/zinc/80/56/66/351805666.db2.gz BSAZWGJGNWPOEM-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC000114076519 351816209 /nfs/dbraw/zinc/81/62/09/351816209.db2.gz ZBHBNIROCTXJMC-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO O=C(C[C@H]1CSCCN1)NCCN1CC[NH2+]CC1 ZINC000130938649 351882977 /nfs/dbraw/zinc/88/29/77/351882977.db2.gz ZUPYIWRRSZSCTD-NSHDSACASA-N 1 3 272.418 -0.897 20 0 CBADHO CC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000130455098 351879118 /nfs/dbraw/zinc/87/91/18/351879118.db2.gz IACHLJUKXVNHCI-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000152868968 351941812 /nfs/dbraw/zinc/94/18/12/351941812.db2.gz KUBPXRXSBWEEDC-NWDGAFQWSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1C(=O)CNC1=O ZINC000133631897 351900833 /nfs/dbraw/zinc/90/08/33/351900833.db2.gz ZIOYTLQMVWUTDU-GMTAPVOTSA-N 1 3 268.361 -0.144 20 0 CBADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1C(=O)CNC1=O ZINC000133631897 351900834 /nfs/dbraw/zinc/90/08/34/351900834.db2.gz ZIOYTLQMVWUTDU-GMTAPVOTSA-N 1 3 268.361 -0.144 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157780426 351958051 /nfs/dbraw/zinc/95/80/51/351958051.db2.gz XLLBQCFHNUCMPU-CHWSQXEVSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157780426 351958055 /nfs/dbraw/zinc/95/80/55/351958055.db2.gz XLLBQCFHNUCMPU-CHWSQXEVSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000167411983 351989514 /nfs/dbraw/zinc/98/95/14/351989514.db2.gz ZRUQXKQDZXWATK-CYBMUJFWSA-N 1 3 294.399 -0.495 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000167403924 351989756 /nfs/dbraw/zinc/98/97/56/351989756.db2.gz RMEIVAWDMGEICU-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1=O ZINC000178753981 352083929 /nfs/dbraw/zinc/08/39/29/352083929.db2.gz ZUIMQQYGEPWEBZ-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178874204 352084286 /nfs/dbraw/zinc/08/42/86/352084286.db2.gz LWDUUOVQNHZRDF-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO CS(=O)(=O)N[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000178974193 352086458 /nfs/dbraw/zinc/08/64/58/352086458.db2.gz JVMDNDDAGJQVBR-NSHDSACASA-N 1 3 261.391 -0.391 20 0 CBADHO CC[N@@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185204563 352117418 /nfs/dbraw/zinc/11/74/18/352117418.db2.gz CKWFJERZPZGNTK-GHMZBOCLSA-N 1 3 268.361 -0.142 20 0 CBADHO CC[N@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185204563 352117420 /nfs/dbraw/zinc/11/74/20/352117420.db2.gz CKWFJERZPZGNTK-GHMZBOCLSA-N 1 3 268.361 -0.142 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188728711 352157607 /nfs/dbraw/zinc/15/76/07/352157607.db2.gz BETBISMNPVMOSK-UHFFFAOYSA-N 1 3 295.387 -0.247 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188728711 352157608 /nfs/dbraw/zinc/15/76/08/352157608.db2.gz BETBISMNPVMOSK-UHFFFAOYSA-N 1 3 295.387 -0.247 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000189262983 352166151 /nfs/dbraw/zinc/16/61/51/352166151.db2.gz LCHROJYEZSLICL-QJPTWQEYSA-N 1 3 271.361 -0.848 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219035877 352236640 /nfs/dbraw/zinc/23/66/40/352236640.db2.gz PJTLRAZBLGZQDK-YPMHNXCESA-N 1 3 286.420 -0.068 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219035877 352236642 /nfs/dbraw/zinc/23/66/42/352236642.db2.gz PJTLRAZBLGZQDK-YPMHNXCESA-N 1 3 286.420 -0.068 20 0 CBADHO CN1CC[C@@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000227186939 352255401 /nfs/dbraw/zinc/25/54/01/352255401.db2.gz GBKRXNILBLYZMU-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCC[NH3+] ZINC000228908392 352265859 /nfs/dbraw/zinc/26/58/59/352265859.db2.gz NUISBJLCRBCTAP-GIPNMCIBSA-N 1 3 255.362 -0.016 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CNCCO1)[N@H+](C)C1CC1 ZINC000226399338 352252196 /nfs/dbraw/zinc/25/21/96/352252196.db2.gz GVWWYPDITMRWOW-JQWIXIFHSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CNCCO1)[N@@H+](C)C1CC1 ZINC000226399338 352252199 /nfs/dbraw/zinc/25/21/99/352252199.db2.gz GVWWYPDITMRWOW-JQWIXIFHSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000226876892 352254003 /nfs/dbraw/zinc/25/40/03/352254003.db2.gz ZWPSUAYSIDXIRF-HZSPNIEDSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000226876892 352254006 /nfs/dbraw/zinc/25/40/06/352254006.db2.gz ZWPSUAYSIDXIRF-HZSPNIEDSA-N 1 3 271.405 -0.248 20 0 CBADHO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000236821063 352294156 /nfs/dbraw/zinc/29/41/56/352294156.db2.gz KJZOXAWUTFKZMR-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO CC[NH2+]CCNC(=O)CCN1CCN(CC)CC1 ZINC000236897096 352296102 /nfs/dbraw/zinc/29/61/02/352296102.db2.gz RBLBHVLLWYFHQQ-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C[NH2+]C1CC1 ZINC000237137676 352299824 /nfs/dbraw/zinc/29/98/24/352299824.db2.gz CMWPXBNQIRPYAE-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000237161565 352300205 /nfs/dbraw/zinc/30/02/05/352300205.db2.gz YEQUWOBBSUJEDX-LLVKDONJSA-N 1 3 282.388 -0.654 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]([NH3+])C2CC2)CC1=O ZINC000237162234 352300276 /nfs/dbraw/zinc/30/02/76/352300276.db2.gz IDWCOHFDXRMCAV-NEPJUHHUSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC1=O ZINC000237162325 352300534 /nfs/dbraw/zinc/30/05/34/352300534.db2.gz SFQIHRZFYCHIAR-NEPJUHHUSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H](CNC(=O)C[NH2+]C1CC1)CN1CCN(C)CC1 ZINC000237545327 352307390 /nfs/dbraw/zinc/30/73/90/352307390.db2.gz SJLQPBFPJTYSKD-LBPRGKRZSA-N 1 3 268.405 -0.262 20 0 CBADHO C[C@](C[NH3+])(NC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000237594229 352307487 /nfs/dbraw/zinc/30/74/87/352307487.db2.gz CQQADWJEPQVYRM-DGCLKSJQSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000245621999 352322315 /nfs/dbraw/zinc/32/23/15/352322315.db2.gz NXPLZZAJEPBQLS-ZDUSSCGKSA-N 1 3 268.405 -0.167 20 0 CBADHO O=C(N[C@H]1CC12CC[NH2+]CC2)c1[nH]nc2c1CNCC2 ZINC000368377636 295841741 /nfs/dbraw/zinc/84/17/41/295841741.db2.gz NFJMQTCJDCMYDW-NSHDSACASA-N 1 3 275.356 -0.073 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250369163 352372011 /nfs/dbraw/zinc/37/20/11/352372011.db2.gz VISVJCYAWHDIRU-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250369163 352372013 /nfs/dbraw/zinc/37/20/13/352372013.db2.gz VISVJCYAWHDIRU-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000250521524 352373308 /nfs/dbraw/zinc/37/33/08/352373308.db2.gz LITFGCKVBFJIQI-FRRDWIJNSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262185128 352408951 /nfs/dbraw/zinc/40/89/51/352408951.db2.gz ZIEBTMPBRORPRD-NEPJUHHUSA-N 1 3 273.377 -0.423 20 0 CBADHO O=C(CN1CCN(CC2CC[NH2+]CC2)CC1)NC1CC1 ZINC000262283635 352414263 /nfs/dbraw/zinc/41/42/63/352414263.db2.gz VACLPMGNRUFGSA-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262313939 352415653 /nfs/dbraw/zinc/41/56/53/352415653.db2.gz BTHMZXBSOPMGRE-IJLUTSLNSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262367261 352418960 /nfs/dbraw/zinc/41/89/60/352418960.db2.gz JNGOSWBUICJCFQ-YVECIDJPSA-N 1 3 269.389 -0.054 20 0 CBADHO CC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000262638010 352429377 /nfs/dbraw/zinc/42/93/77/352429377.db2.gz IPGDXLJCMXQKCP-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN(C)C[C@@H](O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308646659 352754334 /nfs/dbraw/zinc/75/43/34/352754334.db2.gz GWYRCJMHSJYXFQ-ZDUSSCGKSA-N 1 3 273.421 -0.001 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311769965 352770438 /nfs/dbraw/zinc/77/04/38/352770438.db2.gz XAPVTSTVHSXFGF-GARJFASQSA-N 1 3 268.361 -0.238 20 0 CBADHO C[N@H+](C[C@H](O)CNCCN1CCC(O)CC1)C1CC1 ZINC000321279185 352782167 /nfs/dbraw/zinc/78/21/67/352782167.db2.gz HBYCQNSAHNBBKD-CQSZACIVSA-N 1 3 271.405 -0.512 20 0 CBADHO C[N@@H+](C[C@H](O)CNCCN1CCC(O)CC1)C1CC1 ZINC000321279185 352782170 /nfs/dbraw/zinc/78/21/70/352782170.db2.gz HBYCQNSAHNBBKD-CQSZACIVSA-N 1 3 271.405 -0.512 20 0 CBADHO CN(C[C@H](O)C[NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000321279185 352782175 /nfs/dbraw/zinc/78/21/75/352782175.db2.gz HBYCQNSAHNBBKD-CQSZACIVSA-N 1 3 271.405 -0.512 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000331472269 352917746 /nfs/dbraw/zinc/91/77/46/352917746.db2.gz OHUMQJUIQSVNAK-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1[NH3+] ZINC000331515461 352920706 /nfs/dbraw/zinc/92/07/06/352920706.db2.gz BYBNPHBTVUOGFS-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@@H]1[NH3+] ZINC000331579228 352925875 /nfs/dbraw/zinc/92/58/75/352925875.db2.gz LJUCQNJLYJSPFR-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332620042 352970743 /nfs/dbraw/zinc/97/07/43/352970743.db2.gz TYUYAQRXEJTZLR-UPJWGTAASA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332196666 352939536 /nfs/dbraw/zinc/93/95/36/352939536.db2.gz CMZOTCSBBMUUSY-YNEHKIRRSA-N 1 3 294.399 -0.498 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332192145 352939724 /nfs/dbraw/zinc/93/97/24/352939724.db2.gz BAZGVWYZZPZZPD-NWDGAFQWSA-N 1 3 280.372 -0.887 20 0 CBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332229513 352940058 /nfs/dbraw/zinc/94/00/58/352940058.db2.gz LSTXPURSNWXAEZ-YNEHKIRRSA-N 1 3 294.399 -0.369 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000332259181 352941272 /nfs/dbraw/zinc/94/12/72/352941272.db2.gz ALCKEIIBPHADGL-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578858 352968771 /nfs/dbraw/zinc/96/87/71/352968771.db2.gz AMSGJANYSAUXOS-YNEHKIRRSA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000333136892 352999990 /nfs/dbraw/zinc/99/99/90/352999990.db2.gz CMBWOBWILPHKJS-URBCHYCLSA-N 1 3 282.388 -0.414 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333912907 353013627 /nfs/dbraw/zinc/01/36/27/353013627.db2.gz FQPITZGTXBPKOS-RWMBFGLXSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333912907 353013629 /nfs/dbraw/zinc/01/36/29/353013629.db2.gz FQPITZGTXBPKOS-RWMBFGLXSA-N 1 3 282.388 -0.099 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(N)CCOCC1 ZINC000338137420 353086520 /nfs/dbraw/zinc/08/65/20/353086520.db2.gz BHGPVTISSROBKQ-GFCCVEGCSA-N 1 3 287.404 -0.033 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000339582983 353135736 /nfs/dbraw/zinc/13/57/36/353135736.db2.gz PXKVHRWTEMKLHK-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342102294 353219432 /nfs/dbraw/zinc/21/94/32/353219432.db2.gz LVOFPDASYGJJGR-SRVKXCTJSA-N 1 3 275.418 -0.015 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342695930 353228339 /nfs/dbraw/zinc/22/83/39/353228339.db2.gz GXMHMZMXYLDZHK-MNOVXSKESA-N 1 3 287.360 -0.896 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000342699728 353228427 /nfs/dbraw/zinc/22/84/27/353228427.db2.gz AOJBLRXJZWYOAD-RYUDHWBXSA-N 1 3 282.388 -0.878 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000342700603 353228432 /nfs/dbraw/zinc/22/84/32/353228432.db2.gz XQHZSWFHXZEHTQ-NSHDSACASA-N 1 3 271.361 -0.131 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342712393 353229133 /nfs/dbraw/zinc/22/91/33/353229133.db2.gz RMGZCUDXKZUYQT-ONGXEEELSA-N 1 3 271.361 -0.134 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342712393 353229135 /nfs/dbraw/zinc/22/91/35/353229135.db2.gz RMGZCUDXKZUYQT-ONGXEEELSA-N 1 3 271.361 -0.134 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000342737524 353230438 /nfs/dbraw/zinc/23/04/38/353230438.db2.gz NBELAMNFBYISQP-RYUDHWBXSA-N 1 3 283.372 -0.038 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000342736215 353230496 /nfs/dbraw/zinc/23/04/96/353230496.db2.gz MUQJAOTXUAIZIS-ZJUUUORDSA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000342737527 353230722 /nfs/dbraw/zinc/23/07/22/353230722.db2.gz NBELAMNFBYISQP-VXGBXAGGSA-N 1 3 283.372 -0.038 20 0 CBADHO C[C@]1(CNC(=O)CCOC2CNC2)CCC[NH2+]C1 ZINC000342752296 353231370 /nfs/dbraw/zinc/23/13/70/353231370.db2.gz HCOGZJLRMZNLBV-ZDUSSCGKSA-N 1 3 255.362 -0.129 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343216973 353259997 /nfs/dbraw/zinc/25/99/97/353259997.db2.gz KPMNBUIQJURYCY-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343216973 353259998 /nfs/dbraw/zinc/25/99/98/353259998.db2.gz KPMNBUIQJURYCY-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000343260451 353262147 /nfs/dbraw/zinc/26/21/47/353262147.db2.gz JKQURACCIKHWPC-CQSZACIVSA-N 1 3 280.416 -0.070 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCN(C)C1CC1)[N@H+](C)C1CC1 ZINC000343287204 353264140 /nfs/dbraw/zinc/26/41/40/353264140.db2.gz NNGXLDLTRLHQPM-LLVKDONJSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCN(C)C1CC1)[N@@H+](C)C1CC1 ZINC000343287204 353264142 /nfs/dbraw/zinc/26/41/42/353264142.db2.gz NNGXLDLTRLHQPM-LLVKDONJSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@@H+]1C ZINC000343298087 353265431 /nfs/dbraw/zinc/26/54/31/353265431.db2.gz NHJPMSDFJBRVFE-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@H+]1C ZINC000343298087 353265433 /nfs/dbraw/zinc/26/54/33/353265433.db2.gz NHJPMSDFJBRVFE-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419419936 295860553 /nfs/dbraw/zinc/86/05/53/295860553.db2.gz JJHUZCKUYZGBAR-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000346227794 353367211 /nfs/dbraw/zinc/36/72/11/353367211.db2.gz QSMCKZONDSNIDT-NWDGAFQWSA-N 1 3 254.378 -0.557 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000348986570 353443364 /nfs/dbraw/zinc/44/33/64/353443364.db2.gz BXXTUQOERXQBBM-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349905749 353466838 /nfs/dbraw/zinc/46/68/38/353466838.db2.gz MNKSVFDUJDWQLG-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[N@@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349905749 353466839 /nfs/dbraw/zinc/46/68/39/353466839.db2.gz MNKSVFDUJDWQLG-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000352806323 353506443 /nfs/dbraw/zinc/50/64/43/353506443.db2.gz PZQQYHOXRYNGTF-ILXRZTDVSA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000352806323 353506444 /nfs/dbraw/zinc/50/64/44/353506444.db2.gz PZQQYHOXRYNGTF-ILXRZTDVSA-N 1 3 292.427 -0.071 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000354709742 353579664 /nfs/dbraw/zinc/57/96/64/353579664.db2.gz KDDFOZVJNLYRRZ-JHJVBQTASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000354709745 353579690 /nfs/dbraw/zinc/57/96/90/353579690.db2.gz KDDFOZVJNLYRRZ-UPJWGTAASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000354748057 353582861 /nfs/dbraw/zinc/58/28/61/353582861.db2.gz BAFRZHYHFQYGMG-WOPDTQHZSA-N 1 3 282.388 -0.547 20 0 CBADHO CS(=O)(=O)N[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359222844 353652624 /nfs/dbraw/zinc/65/26/24/353652624.db2.gz QTZOCKQCABBPST-LBPRGKRZSA-N 1 3 275.418 0.000 20 0 CBADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000358097980 353626371 /nfs/dbraw/zinc/62/63/71/353626371.db2.gz OCVSPERBLQYKOO-ZIAGYGMSSA-N 1 3 280.416 -0.214 20 0 CBADHO CS(=O)(=O)N[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359222843 353652235 /nfs/dbraw/zinc/65/22/35/353652235.db2.gz QTZOCKQCABBPST-GFCCVEGCSA-N 1 3 275.418 0.000 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105693 353672797 /nfs/dbraw/zinc/67/27/97/353672797.db2.gz QKMZOZNJYHMRAW-JTLRNRKASA-N 1 3 253.346 -0.692 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1C1CC1 ZINC000365313102 353673446 /nfs/dbraw/zinc/67/34/46/353673446.db2.gz AKAPOVFZMYPARN-PKZYVASSSA-N 1 3 253.346 -0.549 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371226301 353697910 /nfs/dbraw/zinc/69/79/10/353697910.db2.gz QJUTWSUDWRUOBX-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371226301 353697912 /nfs/dbraw/zinc/69/79/12/353697912.db2.gz QJUTWSUDWRUOBX-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(N)CC3)CC2)C1 ZINC000372099320 353710474 /nfs/dbraw/zinc/71/04/74/353710474.db2.gz SYOFMWSARARNFY-GFCCVEGCSA-N 1 3 266.389 -0.284 20 0 CBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(N)CC3)CC2)C1 ZINC000372099320 353710479 /nfs/dbraw/zinc/71/04/79/353710479.db2.gz SYOFMWSARARNFY-GFCCVEGCSA-N 1 3 266.389 -0.284 20 0 CBADHO C[C@@H](C(N)=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370414 353715984 /nfs/dbraw/zinc/71/59/84/353715984.db2.gz RHZAOOBIHCVSNX-AAEUAGOBSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@](C[NH3+])(NC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000372571422 353719404 /nfs/dbraw/zinc/71/94/04/353719404.db2.gz MSGHJUCPNFOPMB-CYBMUJFWSA-N 1 3 263.345 -0.087 20 0 CBADHO COCCN(C)C[C@@H](O)C[NH2+]C(C)(C)CN(C)C ZINC000308637226 260392828 /nfs/dbraw/zinc/39/28/28/260392828.db2.gz PPVQEPAGZMRWCK-LBPRGKRZSA-N 1 3 261.410 -0.145 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378638237 353781168 /nfs/dbraw/zinc/78/11/68/353781168.db2.gz APNRJCZJASBFBV-CYBMUJFWSA-N 1 3 266.389 -0.556 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000400151963 353799947 /nfs/dbraw/zinc/79/99/47/353799947.db2.gz BWMBSXILQDQXSM-DCAQKATOSA-N 1 3 261.391 -0.263 20 0 CBADHO CC(C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000393188599 353792372 /nfs/dbraw/zinc/79/23/72/353792372.db2.gz VTZURRPHQIHWLR-LBPRGKRZSA-N 1 3 257.378 -0.195 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCOC2(CNC2)C1 ZINC000416805750 353972716 /nfs/dbraw/zinc/97/27/16/353972716.db2.gz YNGQQRRIVVFEIR-UHFFFAOYSA-N 1 3 270.377 -0.288 20 0 CBADHO CC1CCN(CCNC(=O)N(CC[NH3+])CCO)CC1 ZINC000417020098 353974826 /nfs/dbraw/zinc/97/48/26/353974826.db2.gz RPLOBOFQVNCIDS-UHFFFAOYSA-N 1 3 272.393 -0.319 20 0 CBADHO COCCN(C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417089041 353975505 /nfs/dbraw/zinc/97/55/05/353975505.db2.gz IPUAHQAGRBAQHE-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO CN(C(=O)CNC[C@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000417828020 353984082 /nfs/dbraw/zinc/98/40/82/353984082.db2.gz FAXRAHURRYYHTC-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCCN1C ZINC000417993287 353985713 /nfs/dbraw/zinc/98/57/13/353985713.db2.gz AKBFWVQZFMSHAN-WOPDTQHZSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCCN1C ZINC000418011595 353986516 /nfs/dbraw/zinc/98/65/16/353986516.db2.gz XBRSGUVTBIJWPY-RHYQMDGZSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@H]1NCCN(C(=O)NCCOCC[NH+](C)C)[C@H]1C ZINC000418073981 353987238 /nfs/dbraw/zinc/98/72/38/353987238.db2.gz XDYSOXCJULOVEU-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO CN(C)CCOCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000418067572 353987493 /nfs/dbraw/zinc/98/74/93/353987493.db2.gz MYRGEACYWZGNAC-UHFFFAOYSA-N 1 3 258.366 -0.304 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOCCN(C)C ZINC000418067261 353987540 /nfs/dbraw/zinc/98/75/40/353987540.db2.gz MLONFPVPYKQCMM-RYUDHWBXSA-N 1 3 272.393 -0.138 20 0 CBADHO C[NH2+]CCCNC(=O)NCCNc1ccncc1 ZINC000418279178 353989875 /nfs/dbraw/zinc/98/98/75/353989875.db2.gz OSRRARNKTFFTJR-UHFFFAOYSA-N 1 3 251.334 -0.176 20 0 CBADHO [NH3+]CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418315971 353992743 /nfs/dbraw/zinc/99/27/43/353992743.db2.gz WFBUFBZPXKHICH-UHFFFAOYSA-N 1 3 297.403 -0.715 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418362977 353995085 /nfs/dbraw/zinc/99/50/85/353995085.db2.gz BOEKQIJLNJJNCP-STQMWFEESA-N 1 3 286.420 -0.012 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418374363 353995095 /nfs/dbraw/zinc/99/50/95/353995095.db2.gz SJIKLWOLYCENSH-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418391746 353996138 /nfs/dbraw/zinc/99/61/38/353996138.db2.gz YVKRXUVKLQSHRV-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCC1 ZINC000419232953 354040467 /nfs/dbraw/zinc/04/04/67/354040467.db2.gz GMDBQFDFYNSNGH-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419231885 354040572 /nfs/dbraw/zinc/04/05/72/354040572.db2.gz DGTYHMBNKVTFGT-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](N)c1ccccc1 ZINC000418442355 353998121 /nfs/dbraw/zinc/99/81/21/353998121.db2.gz DPKFQJRGOXSREK-KGLIPLIRSA-N 1 3 291.399 -0.111 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000418442357 353998260 /nfs/dbraw/zinc/99/82/60/353998260.db2.gz DPKFQJRGOXSREK-ZIAGYGMSSA-N 1 3 291.399 -0.111 20 0 CBADHO CCC[NH2+]CCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000418481541 353998849 /nfs/dbraw/zinc/99/88/49/353998849.db2.gz TYEYQNVBUNKAOX-GFCCVEGCSA-N 1 3 260.382 -0.402 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)N[C@H]1CNCCC1(F)F ZINC000418491453 353998998 /nfs/dbraw/zinc/99/89/98/353998998.db2.gz OGTLITDSDRBSAZ-YUMQZZPRSA-N 1 3 250.293 -0.122 20 0 CBADHO COCC[NH2+]CCNC(=O)N(C)CCN(C)C1CC1 ZINC000418485151 353999459 /nfs/dbraw/zinc/99/94/59/353999459.db2.gz FBCNYQGYHLNRRU-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO [NH3+][C@H](CNC(=O)NCCNc1ccncc1)C1CC1 ZINC000418502982 354000181 /nfs/dbraw/zinc/00/01/81/354000181.db2.gz WEVKDKOERWBPOA-GFCCVEGCSA-N 1 3 263.345 -0.048 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418507584 354000543 /nfs/dbraw/zinc/00/05/43/354000543.db2.gz LCHKAVLAHWADBE-GHMZBOCLSA-N 1 3 258.366 -0.386 20 0 CBADHO C[C@@]1(CNC(=O)NC[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000418536142 354002505 /nfs/dbraw/zinc/00/25/05/354002505.db2.gz IKIRTFAGSQYWIR-WCQYABFASA-N 1 3 270.377 -0.336 20 0 CBADHO C[NH2+][C@@H](C)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418636489 354003866 /nfs/dbraw/zinc/00/38/66/354003866.db2.gz HLTRESZHOGCKRS-STQMWFEESA-N 1 3 286.420 -0.014 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418614687 354003941 /nfs/dbraw/zinc/00/39/41/354003941.db2.gz GIMGLLWQKOLZOQ-JSGCOSHPSA-N 1 3 284.404 -0.130 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCNc1ccncc1 ZINC000418704305 354006213 /nfs/dbraw/zinc/00/62/13/354006213.db2.gz RIFRPFHUSHXTCO-UWVGGRQHSA-N 1 3 251.334 -0.050 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418781567 354009059 /nfs/dbraw/zinc/00/90/59/354009059.db2.gz CRPFISFTUZMPBD-HZSPNIEDSA-N 1 3 298.431 -0.012 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](CN)C2CC2)CCCC1 ZINC000418839363 354011605 /nfs/dbraw/zinc/01/16/05/354011605.db2.gz WQFHZYYIINMAON-LBPRGKRZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419021374 354024305 /nfs/dbraw/zinc/02/43/05/354024305.db2.gz GZWPTELUEWBBJI-JHJVBQTASA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419024906 354024525 /nfs/dbraw/zinc/02/45/25/354024525.db2.gz LGUSZYKCAFWJGZ-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCN)C1 ZINC000419027965 354025054 /nfs/dbraw/zinc/02/50/54/354025054.db2.gz PLEBCMREQYVFOU-RYUDHWBXSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419029770 354025101 /nfs/dbraw/zinc/02/51/01/354025101.db2.gz SCFZYEXOAMEPKC-GRYCIOLGSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028416 354025375 /nfs/dbraw/zinc/02/53/75/354025375.db2.gz QHIRWTZKKBZAIB-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419029783 354025427 /nfs/dbraw/zinc/02/54/27/354025427.db2.gz SCFZYEXOAMEPKC-WOPDTQHZSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419029777 354025454 /nfs/dbraw/zinc/02/54/54/354025454.db2.gz SCFZYEXOAMEPKC-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419034440 354026253 /nfs/dbraw/zinc/02/62/53/354026253.db2.gz ZNRKALYWULQLBQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419081218 354027150 /nfs/dbraw/zinc/02/71/50/354027150.db2.gz RHTSMVBRUXSKOQ-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419107815 354028267 /nfs/dbraw/zinc/02/82/67/354028267.db2.gz QAFBHLHKIMBRNC-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419109426 354028551 /nfs/dbraw/zinc/02/85/51/354028551.db2.gz RHYINENKLYATCI-JQWIXIFHSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419126021 354029584 /nfs/dbraw/zinc/02/95/84/354029584.db2.gz VEVUYWDXTXZKOZ-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)CN)C1 ZINC000419150218 354032504 /nfs/dbraw/zinc/03/25/04/354032504.db2.gz KYBUXMJTZXKWKP-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)CN)C1 ZINC000419150218 354032509 /nfs/dbraw/zinc/03/25/09/354032509.db2.gz KYBUXMJTZXKWKP-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419278108 354043680 /nfs/dbraw/zinc/04/36/80/354043680.db2.gz AQDCNHCQADFUQO-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCCN)CC1 ZINC000419155473 354033812 /nfs/dbraw/zinc/03/38/12/354033812.db2.gz RNQNVAKEMOSCHY-UHFFFAOYSA-N 1 3 298.431 -0.064 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419156372 354034098 /nfs/dbraw/zinc/03/40/98/354034098.db2.gz JOLMWYFWLXAFBN-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419156371 354034276 /nfs/dbraw/zinc/03/42/76/354034276.db2.gz JOLMWYFWLXAFBN-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000419159500 354034573 /nfs/dbraw/zinc/03/45/73/354034573.db2.gz ZIUJQFPLIACHAX-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419583979 354063625 /nfs/dbraw/zinc/06/36/25/354063625.db2.gz KUJCEOURJARHRE-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419585202 354063923 /nfs/dbraw/zinc/06/39/23/354063923.db2.gz LSDGKCQJDZYOJD-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000419581506 354064269 /nfs/dbraw/zinc/06/42/69/354064269.db2.gz IIDNOYPUBZVXRR-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419586408 354065574 /nfs/dbraw/zinc/06/55/74/354065574.db2.gz MWIUAUHUNYADOT-PWSUYJOCSA-N 1 3 284.404 -0.315 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000419873629 354087932 /nfs/dbraw/zinc/08/79/32/354087932.db2.gz MWLYZQJQZGDTFX-TXEJJXNPSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419692821 354070565 /nfs/dbraw/zinc/07/05/65/354070565.db2.gz HRDGNIYUTXTDGN-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419700615 354071150 /nfs/dbraw/zinc/07/11/50/354071150.db2.gz XUDSSVAZZRNEHG-NWDGAFQWSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H](CCNC(=O)C(=O)NCCN)[NH+]1CCCCC1 ZINC000419716320 354071473 /nfs/dbraw/zinc/07/14/73/354071473.db2.gz QWHRZHOAIMNMPP-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419718898 354071922 /nfs/dbraw/zinc/07/19/22/354071922.db2.gz BPDWAJHYMLAUFX-LBPRGKRZSA-N 1 3 286.420 -0.066 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419718897 354071939 /nfs/dbraw/zinc/07/19/39/354071939.db2.gz BPDWAJHYMLAUFX-GFCCVEGCSA-N 1 3 286.420 -0.066 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419734153 354073802 /nfs/dbraw/zinc/07/38/02/354073802.db2.gz OVBCCOCCPRJREN-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419730069 354073964 /nfs/dbraw/zinc/07/39/64/354073964.db2.gz IZBKRTLPHUCGKD-NSHDSACASA-N 1 3 272.393 -0.584 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419732452 354074147 /nfs/dbraw/zinc/07/41/47/354074147.db2.gz MQUFARMWVMFZHA-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419775215 354077383 /nfs/dbraw/zinc/07/73/83/354077383.db2.gz KSJPGVHLBXIJCT-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)NCCN)CCCCC1 ZINC000419800433 354079468 /nfs/dbraw/zinc/07/94/68/354079468.db2.gz ADODKQXNSZUBPC-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419828357 354081213 /nfs/dbraw/zinc/08/12/13/354081213.db2.gz CPFRTNBOOOLTNL-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419828356 354081504 /nfs/dbraw/zinc/08/15/04/354081504.db2.gz CPFRTNBOOOLTNL-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419835978 354082290 /nfs/dbraw/zinc/08/22/90/354082290.db2.gz BAHCHIPOLCXIGU-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860413 354086262 /nfs/dbraw/zinc/08/62/62/354086262.db2.gz KRPYOZMWDMVQRC-VXGBXAGGSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419883329 354088790 /nfs/dbraw/zinc/08/87/90/354088790.db2.gz MWJJPCOUFHHCEY-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419291212 354044240 /nfs/dbraw/zinc/04/42/40/354044240.db2.gz WPEZEFCBEPOSDZ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419287771 354044276 /nfs/dbraw/zinc/04/42/76/354044276.db2.gz QMOUAAWOQUODME-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419291806 354044287 /nfs/dbraw/zinc/04/42/87/354044287.db2.gz XOAJKPKKQNZXPB-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419287258 354044479 /nfs/dbraw/zinc/04/44/79/354044479.db2.gz PQVRAXUCCYMKRJ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419290429 354044554 /nfs/dbraw/zinc/04/45/54/354044554.db2.gz VNIAZCGFHKZXDX-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419290895 354044837 /nfs/dbraw/zinc/04/48/37/354044837.db2.gz WGXOLEORPIXQCJ-UHFFFAOYSA-N 1 3 296.415 -0.130 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419292756 354044853 /nfs/dbraw/zinc/04/48/53/354044853.db2.gz ZLGWKOJMEMPSLV-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419333993 354046895 /nfs/dbraw/zinc/04/68/95/354046895.db2.gz MWLNWFQDTVTLSQ-WQAKAFBOSA-N 1 3 294.399 -0.561 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419410009 354052812 /nfs/dbraw/zinc/05/28/12/354052812.db2.gz NWTALLJIIPRYNG-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419417253 354053070 /nfs/dbraw/zinc/05/30/70/354053070.db2.gz XCMZCOUHIIJMLQ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419417093 354053249 /nfs/dbraw/zinc/05/32/49/354053249.db2.gz HTHHQTKOFFUVCO-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419417167 354053498 /nfs/dbraw/zinc/05/34/98/354053498.db2.gz WYMYWCAGPIMEGW-FRRDWIJNSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419417167 354053500 /nfs/dbraw/zinc/05/35/00/354053500.db2.gz WYMYWCAGPIMEGW-FRRDWIJNSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419415256 354053768 /nfs/dbraw/zinc/05/37/68/354053768.db2.gz VDHCPDYSCYPKCP-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419431252 354054434 /nfs/dbraw/zinc/05/44/34/354054434.db2.gz WYMYWCAGPIMEGW-UPJWGTAASA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419527549 354058571 /nfs/dbraw/zinc/05/85/71/354058571.db2.gz VJFBUZSWQSIFSJ-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000419526553 354058757 /nfs/dbraw/zinc/05/87/57/354058757.db2.gz UBXROEAKFXQKNI-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419530424 354059629 /nfs/dbraw/zinc/05/96/29/354059629.db2.gz ZHUNOYIBVWGHDM-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000419909107 354092582 /nfs/dbraw/zinc/09/25/82/354092582.db2.gz KNAZPZCEXHISIM-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000419936941 354094488 /nfs/dbraw/zinc/09/44/88/354094488.db2.gz MGWYUWKNUHQPNL-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419945098 354095317 /nfs/dbraw/zinc/09/53/17/354095317.db2.gz BZSJHJUEVXJNMT-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000419949436 354096624 /nfs/dbraw/zinc/09/66/24/354096624.db2.gz LGFSHFDELOCKSA-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419950195 354096713 /nfs/dbraw/zinc/09/67/13/354096713.db2.gz LXNBPGUCCHXZDC-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000419978167 354099040 /nfs/dbraw/zinc/09/90/40/354099040.db2.gz NUVZWBIOISDFON-SRVKXCTJSA-N 1 3 284.404 -0.633 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000419974543 354099590 /nfs/dbraw/zinc/09/95/90/354099590.db2.gz JPWBYUMABXRXNM-YNEHKIRRSA-N 1 3 298.431 -0.197 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011288 354102033 /nfs/dbraw/zinc/10/20/33/354102033.db2.gz YQJTXITZNLIWDO-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420022364 354102937 /nfs/dbraw/zinc/10/29/37/354102937.db2.gz VQMVCLUOYQIHBM-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420028507 354104338 /nfs/dbraw/zinc/10/43/38/354104338.db2.gz HHHAIDAHGFLMAO-OLZOCXBDSA-N 1 3 296.415 -0.219 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321575 354122255 /nfs/dbraw/zinc/12/22/55/354122255.db2.gz CXCCWKFAGZBLCU-OLZOCXBDSA-N 1 3 297.399 -0.013 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420317621 354122363 /nfs/dbraw/zinc/12/23/63/354122363.db2.gz ZQXVVDSGACSNAA-WDEREUQCSA-N 1 3 271.361 -0.323 20 0 CBADHO C[C@H]1CCN(CCC(=O)N2CCNCC2)[C@@H](C[NH3+])C1 ZINC000420333988 354124371 /nfs/dbraw/zinc/12/43/71/354124371.db2.gz KOXOQZAQMSYFEX-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)[C@@H](CN)C1 ZINC000420333988 354124373 /nfs/dbraw/zinc/12/43/73/354124373.db2.gz KOXOQZAQMSYFEX-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)[C@@H](CN)C1 ZINC000420333988 354124377 /nfs/dbraw/zinc/12/43/77/354124377.db2.gz KOXOQZAQMSYFEX-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398976 354126933 /nfs/dbraw/zinc/12/69/33/354126933.db2.gz HHVQUHWDNLEHDG-NWDGAFQWSA-N 1 3 285.388 -0.075 20 0 CBADHO CC1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]C1 ZINC000423373773 354172798 /nfs/dbraw/zinc/17/27/98/354172798.db2.gz JMKVURQBAHBPRK-UHFFFAOYSA-N 1 3 294.399 -0.638 20 0 CBADHO CCCN(CCN(CC)CC)C(=O)C(=O)N(C)CC[NH3+] ZINC000423409853 354175944 /nfs/dbraw/zinc/17/59/44/354175944.db2.gz CHNFUMGTMPTLGX-UHFFFAOYSA-N 1 3 286.420 -0.016 20 0 CBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN ZINC000423438366 354176331 /nfs/dbraw/zinc/17/63/31/354176331.db2.gz UXPBRURSBSBXQS-UHFFFAOYSA-N 1 3 284.404 -0.262 20 0 CBADHO COCCN(C)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422592116 354150494 /nfs/dbraw/zinc/15/04/94/354150494.db2.gz CWNFLZHXBBIKRK-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@@H]1C[C@H](C)N(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422561159 354150768 /nfs/dbraw/zinc/15/07/68/354150768.db2.gz JKLKQOUZNKWRFS-WOPDTQHZSA-N 1 3 294.399 -0.111 20 0 CBADHO C[C@H]1CCNC[C@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000422708318 354151647 /nfs/dbraw/zinc/15/16/47/354151647.db2.gz BOAHPLPKBFIMMW-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422967723 354158278 /nfs/dbraw/zinc/15/82/78/354158278.db2.gz CHNRPGCRAIEZDS-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000422976089 354158295 /nfs/dbraw/zinc/15/82/95/354158295.db2.gz UOEAJAOOHOKFST-VXGBXAGGSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422967722 354158421 /nfs/dbraw/zinc/15/84/21/354158421.db2.gz CHNRPGCRAIEZDS-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422977055 354159562 /nfs/dbraw/zinc/15/95/62/354159562.db2.gz WBCOCFUORWVVNV-RYUDHWBXSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422977053 354159652 /nfs/dbraw/zinc/15/96/52/354159652.db2.gz WBCOCFUORWVVNV-NWDGAFQWSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423586820 354181501 /nfs/dbraw/zinc/18/15/01/354181501.db2.gz BPLRGNHRGUXADJ-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000423586708 354181883 /nfs/dbraw/zinc/18/18/83/354181883.db2.gz DXMRRHRFWHQIBI-CHWSQXEVSA-N 1 3 296.415 -0.252 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423592506 354182981 /nfs/dbraw/zinc/18/29/81/354182981.db2.gz KVUKGFCJTCTIDD-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423636985 354187285 /nfs/dbraw/zinc/18/72/85/354187285.db2.gz BTRXOQPRBVTLPB-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000423729266 354195326 /nfs/dbraw/zinc/19/53/26/354195326.db2.gz UZEBNCUZLCLIOC-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423750579 354197091 /nfs/dbraw/zinc/19/70/91/354197091.db2.gz UGPHHPGWSVTRAG-CHWSQXEVSA-N 1 3 287.404 -0.081 20 0 CBADHO COCC[C@]1(C(=O)N2CCO[C@H](CN(C)C)C2)CC[NH2+]C1 ZINC000423755647 354197500 /nfs/dbraw/zinc/19/75/00/354197500.db2.gz KCWJXTMSWNSFEU-UKRRQHHQSA-N 1 3 299.415 -0.208 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954380 354206364 /nfs/dbraw/zinc/20/63/64/354206364.db2.gz MVKZEYWKJRNSTI-NWDGAFQWSA-N 1 3 298.431 -0.114 20 0 CBADHO COCCNCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156996 354211730 /nfs/dbraw/zinc/21/17/30/354211730.db2.gz QDYJRFKGJMGEBU-LLVKDONJSA-N 1 3 296.375 -0.832 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143335 354212535 /nfs/dbraw/zinc/21/25/35/354212535.db2.gz FYPRWKABFVUNHA-NEPJUHHUSA-N 1 3 282.388 -0.654 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423531673 354178448 /nfs/dbraw/zinc/17/84/48/354178448.db2.gz YKOMTKQMCDTPLQ-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO C[NH2+]CCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000435871947 354255399 /nfs/dbraw/zinc/25/53/99/354255399.db2.gz MLABILJNBUSXSU-UHFFFAOYSA-N 1 3 268.405 -0.164 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444262612 354266704 /nfs/dbraw/zinc/26/67/04/354266704.db2.gz BLDNGFXYIJWWJS-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO CC[NH2+]CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424471460 354225468 /nfs/dbraw/zinc/22/54/68/354225468.db2.gz CZDXBGIMIPDDOH-NWDGAFQWSA-N 1 3 280.376 -0.534 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446376778 354287409 /nfs/dbraw/zinc/28/74/09/354287409.db2.gz MFSXWZQPJBYWTQ-NWDGAFQWSA-N 1 3 272.368 -0.560 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447437102 354298516 /nfs/dbraw/zinc/29/85/16/354298516.db2.gz CCPPSVZQXWURNM-QWHCGFSZSA-N 1 3 286.420 -0.508 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000447435653 354298701 /nfs/dbraw/zinc/29/87/01/354298701.db2.gz QCJHSCTUCUNCJH-MNOVXSKESA-N 1 3 259.350 -0.813 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269046 354267828 /nfs/dbraw/zinc/26/78/28/354267828.db2.gz OXMZVCIHAWMQCY-HIFRSBDPSA-N 1 3 280.416 -0.260 20 0 CBADHO C[C@@H](CNC(=O)NCCOCC[NH+](C)C)N(C)C ZINC000458701692 354379501 /nfs/dbraw/zinc/37/95/01/354379501.db2.gz UWYPEQDYYXYIEG-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC1=O ZINC000457202398 354370246 /nfs/dbraw/zinc/37/02/46/354370246.db2.gz HJPDKTMEVJHNGO-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000471633559 354400579 /nfs/dbraw/zinc/40/05/79/354400579.db2.gz BROAIZSJPVQMAI-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CN1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471633339 354400614 /nfs/dbraw/zinc/40/06/14/354400614.db2.gz FOHFPEDXVLJRIS-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO CN(C)CCOCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000471643690 354401468 /nfs/dbraw/zinc/40/14/68/354401468.db2.gz KFAFXLJKIKYDOT-ZDUSSCGKSA-N 1 3 290.408 -0.824 20 0 CBADHO CN(C)CCN1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000491884734 354460973 /nfs/dbraw/zinc/46/09/73/354460973.db2.gz NCYIPMZWILDTCC-AATRIKPKSA-N 1 3 268.405 -0.190 20 0 CBADHO C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000493945103 354494764 /nfs/dbraw/zinc/49/47/64/354494764.db2.gz NQIKPRPWUPNDNR-AGIUHOORSA-N 1 3 270.421 -0.031 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514616221 354554816 /nfs/dbraw/zinc/55/48/16/354554816.db2.gz MTLVFVOKNUCJID-NAKRPEOUSA-N 1 3 268.361 -0.870 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519546214 354562282 /nfs/dbraw/zinc/56/22/82/354562282.db2.gz UFANQHZNHRGOOE-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[NH+](CC)CCCNC[C@H](O)CN1CCN(C)CC1 ZINC000519601092 354564343 /nfs/dbraw/zinc/56/43/43/354564343.db2.gz ZWQZHDNJLQBTRD-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000519609348 354564773 /nfs/dbraw/zinc/56/47/73/354564773.db2.gz NYHYNPULNIASLS-NXEZZACHSA-N 1 3 259.350 -0.244 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C1CC1 ZINC000534266058 354596196 /nfs/dbraw/zinc/59/61/96/354596196.db2.gz GGRNFZVKNHOWTA-KBPBESRZSA-N 1 3 280.416 -0.167 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000547296321 354657061 /nfs/dbraw/zinc/65/70/61/354657061.db2.gz XIDABEJPAWDJOR-IPYPFGDCSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000547296321 354657065 /nfs/dbraw/zinc/65/70/65/354657065.db2.gz XIDABEJPAWDJOR-IPYPFGDCSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000547296322 354657451 /nfs/dbraw/zinc/65/74/51/354657451.db2.gz XIDABEJPAWDJOR-NFAWXSAZSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000547296322 354657455 /nfs/dbraw/zinc/65/74/55/354657455.db2.gz XIDABEJPAWDJOR-NFAWXSAZSA-N 1 3 296.415 -0.021 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)CN1CCN(C)CC1 ZINC000563077521 354694607 /nfs/dbraw/zinc/69/46/07/354694607.db2.gz IFCOPMKZNINIDW-RDBSUJKOSA-N 1 3 282.432 -0.016 20 0 CBADHO CN1CCC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563198272 354702043 /nfs/dbraw/zinc/70/20/43/354702043.db2.gz NEOXQXSRUSPDGZ-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563956369 354707760 /nfs/dbraw/zinc/70/77/60/354707760.db2.gz NXDRDWNCZSMAPE-UONOGXRCSA-N 1 3 296.415 -0.739 20 0 CBADHO N[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956483 354708043 /nfs/dbraw/zinc/70/80/43/354708043.db2.gz SSOMDUOGJMYAFX-CHWSQXEVSA-N 1 3 266.389 -0.380 20 0 CBADHO CN(CC[C@@H]1CC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000564988092 354724469 /nfs/dbraw/zinc/72/44/69/354724469.db2.gz FSEFRKLWZRPNNA-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000564989359 354724533 /nfs/dbraw/zinc/72/45/33/354724533.db2.gz MUISKBCAAAGCNT-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000564989221 354724622 /nfs/dbraw/zinc/72/46/22/354724622.db2.gz BYUNEPVPAYDTAU-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH3+])CCC1 ZINC000564993066 354724969 /nfs/dbraw/zinc/72/49/69/354724969.db2.gz MVDLWJDHSUQSIQ-JTQLQIEISA-N 1 3 256.350 -0.917 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000564989873 354724995 /nfs/dbraw/zinc/72/49/95/354724995.db2.gz WABYEXPAIRKBOP-MNOVXSKESA-N 1 3 271.361 -0.323 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000573967353 334981345 /nfs/dbraw/zinc/98/13/45/334981345.db2.gz VDTVUJWWCFWGGM-JQWIXIFHSA-N 1 3 270.377 -0.704 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000565823155 354746919 /nfs/dbraw/zinc/74/69/19/354746919.db2.gz LDOOAHIBKUENAS-GFCCVEGCSA-N 1 3 280.372 -0.839 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000565892329 354747858 /nfs/dbraw/zinc/74/78/58/354747858.db2.gz CKVJLMYYNUAYEP-PWSUYJOCSA-N 1 3 270.377 -0.718 20 0 CBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000566180097 354755087 /nfs/dbraw/zinc/75/50/87/354755087.db2.gz SAWLGMMKJXSQJQ-UONOGXRCSA-N 1 3 299.415 -0.426 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOC2CNC2)CC1 ZINC000566210940 354757370 /nfs/dbraw/zinc/75/73/70/354757370.db2.gz AFMPQJWTXQPFMJ-HIFRSBDPSA-N 1 3 297.399 -0.280 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CC[NH3+])CC1 ZINC000566406098 354765396 /nfs/dbraw/zinc/76/53/96/354765396.db2.gz HSANGMSQEAROFG-ZDUSSCGKSA-N 1 3 284.404 -0.327 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000567604783 354791835 /nfs/dbraw/zinc/79/18/35/354791835.db2.gz BRQIDQDQXGNRAM-CABZTGNLSA-N 1 3 264.329 -0.190 20 0 CBADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566689753 354773752 /nfs/dbraw/zinc/77/37/52/354773752.db2.gz SAWMJRCKEZVBMD-LBPRGKRZSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@H](CN)C1 ZINC000567031378 354779860 /nfs/dbraw/zinc/77/98/60/354779860.db2.gz KDJSPWLUTZKZMY-CHWSQXEVSA-N 1 3 283.420 -0.212 20 0 CBADHO N[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCC1 ZINC000567267593 354784678 /nfs/dbraw/zinc/78/46/78/354784678.db2.gz FPZFXWUQAHHBHM-RYUDHWBXSA-N 1 3 282.388 -0.573 20 0 CBADHO C[C@H](NC(=O)C[C@@H]1CNCCO1)[C@H]1CCC[NH2+]C1 ZINC000567267810 354784859 /nfs/dbraw/zinc/78/48/59/354784859.db2.gz QCRGFHOKFILCFQ-SDDRHHMPSA-N 1 3 255.362 -0.131 20 0 CBADHO CN1CCC[C@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567504150 354789280 /nfs/dbraw/zinc/78/92/80/354789280.db2.gz CWEKQRBXXVNBPU-LLVKDONJSA-N 1 3 280.376 -0.302 20 0 CBADHO C[NH2+]C[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000565599312 354742313 /nfs/dbraw/zinc/74/23/13/354742313.db2.gz YSTHXGJUQKBDCN-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO CC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567587622 354790423 /nfs/dbraw/zinc/79/04/23/354790423.db2.gz XQVWYGIBEUVCSQ-GHMZBOCLSA-N 1 3 255.362 -0.062 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000567822641 354798922 /nfs/dbraw/zinc/79/89/22/354798922.db2.gz HFNSUEPQVIXBCH-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567834684 354799812 /nfs/dbraw/zinc/79/98/12/354799812.db2.gz XIIISVDXQWBPSC-NEPJUHHUSA-N 1 3 284.404 -0.327 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000567834823 354800075 /nfs/dbraw/zinc/80/00/75/354800075.db2.gz HMQMAXUUUOQLKV-GFCCVEGCSA-N 1 3 293.371 -0.207 20 0 CBADHO Cn1cc(C[C@H](CO)CNC[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874707 354802634 /nfs/dbraw/zinc/80/26/34/354802634.db2.gz UKFPOTQQYDTIOQ-DZGCQCFKSA-N 1 3 296.415 -0.384 20 0 CBADHO Cn1cc(C[C@H](CO)CNC[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874707 354802636 /nfs/dbraw/zinc/80/26/36/354802636.db2.gz UKFPOTQQYDTIOQ-DZGCQCFKSA-N 1 3 296.415 -0.384 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Cn1cccn1 ZINC000567875761 354802763 /nfs/dbraw/zinc/80/27/63/354802763.db2.gz KUUKSGXUUTYTNF-QWHCGFSZSA-N 1 3 268.361 -0.710 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@@H](CO)CN1CCCC1)C1CC1 ZINC000567874438 354802774 /nfs/dbraw/zinc/80/27/74/354802774.db2.gz NQLGCIYXCDVRNL-TZMCWYRMSA-N 1 3 271.405 -0.512 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@@H](CO)CN1CCCC1)C1CC1 ZINC000567874438 354802775 /nfs/dbraw/zinc/80/27/75/354802775.db2.gz NQLGCIYXCDVRNL-TZMCWYRMSA-N 1 3 271.405 -0.512 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@@H](CO)C1CCOCC1 ZINC000568166733 354812338 /nfs/dbraw/zinc/81/23/38/354812338.db2.gz RPOZAGVCACTOOQ-OLZOCXBDSA-N 1 3 260.378 -0.324 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](CO)C1CCOCC1 ZINC000568166733 354812340 /nfs/dbraw/zinc/81/23/40/354812340.db2.gz RPOZAGVCACTOOQ-OLZOCXBDSA-N 1 3 260.378 -0.324 20 0 CBADHO C[NH2+]C[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000568270105 354819555 /nfs/dbraw/zinc/81/95/55/354819555.db2.gz PFQHLVFBZGLVKW-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO CN(CCC[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000568287762 354820529 /nfs/dbraw/zinc/82/05/29/354820529.db2.gz JMKVQVDZPYWWPP-MRVPVSSYSA-N 1 3 250.293 -0.026 20 0 CBADHO COC[C@]1(CNC(=O)C[C@H]2CSCCN2)CCC[NH2+]1 ZINC000568381338 354822820 /nfs/dbraw/zinc/82/28/20/354822820.db2.gz HNAFQRLNVFUECJ-WCQYABFASA-N 1 3 287.429 -0.034 20 0 CBADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1=CCN(C)CC1 ZINC000567711016 354794403 /nfs/dbraw/zinc/79/44/03/354794403.db2.gz XNYPIWFSLKGQPA-UKRRQHHQSA-N 1 3 283.416 -0.081 20 0 CBADHO CCCCN(C)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000570676723 354867144 /nfs/dbraw/zinc/86/71/44/354867144.db2.gz VZTRHJBIWZVQRR-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO CCCC[N@H+](C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000570676723 354867149 /nfs/dbraw/zinc/86/71/49/354867149.db2.gz VZTRHJBIWZVQRR-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO CCCC[N@@H+](C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000570676723 354867153 /nfs/dbraw/zinc/86/71/53/354867153.db2.gz VZTRHJBIWZVQRR-HNNXBMFYSA-N 1 3 286.464 -0.084 20 0 CBADHO C[NH2+]C[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000570716402 354867671 /nfs/dbraw/zinc/86/76/71/354867671.db2.gz JJZTWLLDYVJFEJ-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570698890 354867745 /nfs/dbraw/zinc/86/77/45/354867745.db2.gz JZTFHNWABFHMIE-WOPDTQHZSA-N 1 3 297.403 -0.687 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1(C[NH3+])CCCC1 ZINC000570843657 354870485 /nfs/dbraw/zinc/87/04/85/354870485.db2.gz PLZHJGKQKBWKOI-NSHDSACASA-N 1 3 270.377 -0.526 20 0 CBADHO CC1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[NH2+]C1 ZINC000570962832 354873717 /nfs/dbraw/zinc/87/37/17/354873717.db2.gz JKEHNBASGGELSB-LLVKDONJSA-N 1 3 278.360 -0.490 20 0 CBADHO C[C@@H]1CN(C(=O)N2CCN(C)C[C@@H]2CN)C[C@@]1(C)C[NH3+] ZINC000571062861 354875858 /nfs/dbraw/zinc/87/58/58/354875858.db2.gz ABKAURJWWXKMKY-MBNYWOFBSA-N 1 3 283.420 -0.402 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000571047358 354875990 /nfs/dbraw/zinc/87/59/90/354875990.db2.gz VAFLOCMOXHSTNJ-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO CN(C[C@H]1CCCN(CCOCC[NH3+])C1)S(C)(=O)=O ZINC000569811290 354847354 /nfs/dbraw/zinc/84/73/54/354847354.db2.gz QLTRMGHLFFDNJL-GFCCVEGCSA-N 1 3 293.433 -0.435 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569809891 354847399 /nfs/dbraw/zinc/84/73/99/354847399.db2.gz BFVFLFRMDFFICA-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569912952 354849487 /nfs/dbraw/zinc/84/94/87/354849487.db2.gz HWVRRXLCJCXACZ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000570147394 354855543 /nfs/dbraw/zinc/85/55/43/354855543.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 1 3 285.436 -0.001 20 0 CBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000570147394 354855546 /nfs/dbraw/zinc/85/55/46/354855546.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 1 3 285.436 -0.001 20 0 CBADHO [NH3+]C[C@H](C(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000570395287 354860347 /nfs/dbraw/zinc/86/03/47/354860347.db2.gz JAQXIWGNTNWYFQ-OLZOCXBDSA-N 1 3 263.341 -0.167 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCC(=O)OC ZINC000570449383 354862163 /nfs/dbraw/zinc/86/21/63/354862163.db2.gz ZSRPEMUZNXLPKY-VHSXEESVSA-N 1 3 259.350 -0.099 20 0 CBADHO CN1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000570568703 354865000 /nfs/dbraw/zinc/86/50/00/354865000.db2.gz DWTTZWXEWQXIGO-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO CO[C@H](CN)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000572241506 354889012 /nfs/dbraw/zinc/88/90/12/354889012.db2.gz YNORWINXSXNQPS-GFCCVEGCSA-N 1 3 266.345 -0.349 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000572494541 354892518 /nfs/dbraw/zinc/89/25/18/354892518.db2.gz YQLYEMSPDLFIGK-UTUOFQBUSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000572494541 354892521 /nfs/dbraw/zinc/89/25/21/354892521.db2.gz YQLYEMSPDLFIGK-UTUOFQBUSA-N 1 3 257.378 -0.067 20 0 CBADHO COC[C@@]1(CNC(=O)[C@H](N)C2CCC2)CCC[NH2+]1 ZINC000572760515 354897153 /nfs/dbraw/zinc/89/71/53/354897153.db2.gz UAFYDFVSYZSJRB-YPMHNXCESA-N 1 3 255.362 -0.001 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000572977060 354902280 /nfs/dbraw/zinc/90/22/80/354902280.db2.gz AOXKWYIZQWVUAM-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](COCCOC)C1 ZINC000573126259 354905601 /nfs/dbraw/zinc/90/56/01/354905601.db2.gz MOMTZZWQKLPUKI-CHWSQXEVSA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000573126259 354905602 /nfs/dbraw/zinc/90/56/02/354905602.db2.gz MOMTZZWQKLPUKI-CHWSQXEVSA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](COCCOC)C1 ZINC000573126259 354905603 /nfs/dbraw/zinc/90/56/03/354905603.db2.gz MOMTZZWQKLPUKI-CHWSQXEVSA-N 1 3 260.378 -0.058 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573743666 354920976 /nfs/dbraw/zinc/92/09/76/354920976.db2.gz XJQWQXRIPOZEAQ-QWRGUYRKSA-N 1 3 256.350 -0.632 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578227295 354941579 /nfs/dbraw/zinc/94/15/79/354941579.db2.gz VNJKIRRQWZLIGA-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578454283 354947109 /nfs/dbraw/zinc/94/71/09/354947109.db2.gz VSYARZLHBSRSSU-GRYCIOLGSA-N 1 3 297.403 -0.543 20 0 CBADHO CNC[C@@](C)(O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000579117161 354961861 /nfs/dbraw/zinc/96/18/61/354961861.db2.gz NASDBEZRBLLSHW-CYBMUJFWSA-N 1 3 267.377 -0.040 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627949 354950474 /nfs/dbraw/zinc/95/04/74/354950474.db2.gz SRYNVPNWEBBSND-AAEUAGOBSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627949 354950475 /nfs/dbraw/zinc/95/04/75/354950475.db2.gz SRYNVPNWEBBSND-AAEUAGOBSA-N 1 3 267.373 -0.083 20 0 CBADHO CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578668886 354952971 /nfs/dbraw/zinc/95/29/71/354952971.db2.gz SZQSHPZNNNGSRG-GHMZBOCLSA-N 1 3 254.378 -0.382 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000573684875 354918477 /nfs/dbraw/zinc/91/84/77/354918477.db2.gz PXLZZELUGDCNOT-BXKDBHETSA-N 1 3 257.334 -0.490 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000579105936 354962204 /nfs/dbraw/zinc/96/22/04/354962204.db2.gz KEBFAMPCMXKVPV-UPJWGTAASA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(C)CC1 ZINC000579122741 354963388 /nfs/dbraw/zinc/96/33/88/354963388.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122741 354963390 /nfs/dbraw/zinc/96/33/90/354963390.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122741 354963392 /nfs/dbraw/zinc/96/33/92/354963392.db2.gz KTXVMFDBACACNZ-QWHCGFSZSA-N 1 3 268.405 -0.180 20 0 CBADHO CN(CCNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000579946300 354982737 /nfs/dbraw/zinc/98/27/37/354982737.db2.gz HMSJANAKZDCELX-UHFFFAOYSA-N 1 3 266.349 -0.549 20 0 CBADHO CO[C@H]1CCN(C(=O)CCOC2CNC2)[C@@H](C[NH3+])C1 ZINC000579946028 354983231 /nfs/dbraw/zinc/98/32/31/354983231.db2.gz MENYVISKJPQQSH-MNOVXSKESA-N 1 3 271.361 -0.670 20 0 CBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000580174232 354989069 /nfs/dbraw/zinc/98/90/69/354989069.db2.gz XLHUTUPBXDANQI-NWDGAFQWSA-N 1 3 280.372 -0.854 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](CN)C1 ZINC000580299703 354991502 /nfs/dbraw/zinc/99/15/02/354991502.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 1 3 295.431 -0.103 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](CN)C1 ZINC000580299703 354991505 /nfs/dbraw/zinc/99/15/05/354991505.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 1 3 295.431 -0.103 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](CN)C1 ZINC000580299704 354991826 /nfs/dbraw/zinc/99/18/26/354991826.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 1 3 295.431 -0.103 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](CN)C1 ZINC000580299704 354991828 /nfs/dbraw/zinc/99/18/28/354991828.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 1 3 295.431 -0.103 20 0 CBADHO CN(C)CCOCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000580951116 355001616 /nfs/dbraw/zinc/00/16/16/355001616.db2.gz VCYMOSMSZSWAQW-YPMHNXCESA-N 1 3 255.362 -0.320 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000584466796 355029896 /nfs/dbraw/zinc/02/98/96/355029896.db2.gz LYSRTRHHYHKRMY-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000584350117 355029980 /nfs/dbraw/zinc/02/99/80/355029980.db2.gz OZMMKSLBGDIXBG-UWVGGRQHSA-N 1 3 257.334 -0.523 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031386 /nfs/dbraw/zinc/03/13/86/355031386.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 1 3 281.404 -0.493 20 0 CBADHO C[N@H+](C[C@H](O)CNCCC1(O)CCOCC1)C1CC1 ZINC000584586602 355032201 /nfs/dbraw/zinc/03/22/01/355032201.db2.gz LNQIERDXZHHOQO-CYBMUJFWSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@@H+](C[C@H](O)CNCCC1(O)CCOCC1)C1CC1 ZINC000584586602 355032202 /nfs/dbraw/zinc/03/22/02/355032202.db2.gz LNQIERDXZHHOQO-CYBMUJFWSA-N 1 3 272.389 -0.037 20 0 CBADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)[C@@H](C)C[NH2+]1 ZINC000582062567 355006633 /nfs/dbraw/zinc/00/66/33/355006633.db2.gz OWSSRWMQDUEHGG-FRRDWIJNSA-N 1 3 268.405 -0.134 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240782 355011767 /nfs/dbraw/zinc/01/17/67/355011767.db2.gz LTFBQRKKAOPRAX-WMINBDIOSA-N 1 3 279.384 -0.147 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000583565404 355020324 /nfs/dbraw/zinc/02/03/24/355020324.db2.gz KFCQDXKIJQYSLK-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000584052468 355028643 /nfs/dbraw/zinc/02/86/43/355028643.db2.gz LLFGHCPRNMEMEJ-VIFPVBQESA-N 1 3 294.321 -0.180 20 0 CBADHO CSC[C@@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734985 355112243 /nfs/dbraw/zinc/11/22/43/355112243.db2.gz FYAOQXGFEHITEZ-RYUDHWBXSA-N 1 3 289.445 -0.113 20 0 CBADHO CSC[C@@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734985 355112245 /nfs/dbraw/zinc/11/22/45/355112245.db2.gz FYAOQXGFEHITEZ-RYUDHWBXSA-N 1 3 289.445 -0.113 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135925 355133148 /nfs/dbraw/zinc/13/31/48/355133148.db2.gz YKNUGSXOLJMUBO-VXGBXAGGSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135925 355133152 /nfs/dbraw/zinc/13/31/52/355133152.db2.gz YKNUGSXOLJMUBO-VXGBXAGGSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592293095 355146404 /nfs/dbraw/zinc/14/64/04/355146404.db2.gz QZDKYUWMWYBWTE-ZJUUUORDSA-N 1 3 257.334 -0.475 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000592343046 355149275 /nfs/dbraw/zinc/14/92/75/355149275.db2.gz DDNABKUXRZUKNF-OPRDCNLKSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000592471535 355155366 /nfs/dbraw/zinc/15/53/66/355155366.db2.gz YDWADRDPFPONDJ-JTQLQIEISA-N 1 3 257.334 -0.712 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000592471024 355155715 /nfs/dbraw/zinc/15/57/15/355155715.db2.gz KNWORFDVUTWENP-DCAQKATOSA-N 1 3 271.361 -0.147 20 0 CBADHO COC(=O)c1cn(C2CCN(CCOCC[NH3+])CC2)nn1 ZINC000592495531 355158496 /nfs/dbraw/zinc/15/84/96/355158496.db2.gz LCEHRWYDYVSXLN-UHFFFAOYSA-N 1 3 297.359 -0.323 20 0 CBADHO Cn1cncc1CCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903263 355316681 /nfs/dbraw/zinc/31/66/81/355316681.db2.gz QDPKCVNQFHRFQT-CHWSQXEVSA-N 1 3 277.372 -0.404 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1CC2CC1(CN)C2 ZINC000595903089 355316918 /nfs/dbraw/zinc/31/69/18/355316918.db2.gz ITVZMRXKLFVPPO-UHFFFAOYSA-N 1 3 269.345 -0.569 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1CC2CC1(CN)C2 ZINC000595903089 355316919 /nfs/dbraw/zinc/31/69/19/355316919.db2.gz ITVZMRXKLFVPPO-UHFFFAOYSA-N 1 3 269.345 -0.569 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939180 355321340 /nfs/dbraw/zinc/32/13/40/355321340.db2.gz GJRYLFTZLYNESY-ZJUUUORDSA-N 1 3 259.350 -0.277 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595266060 355276105 /nfs/dbraw/zinc/27/61/05/355276105.db2.gz YDAHJMNPYMGRFV-USZNOCQGSA-N 1 3 295.387 -0.920 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]1 ZINC000595264650 355276675 /nfs/dbraw/zinc/27/66/75/355276675.db2.gz DSNNNZZMXZPLMC-WYUUTHIRSA-N 1 3 295.387 -0.920 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000420312010 291065471 /nfs/dbraw/zinc/06/54/71/291065471.db2.gz HNDHMEXANOBMEY-WDEREUQCSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000420312010 291065474 /nfs/dbraw/zinc/06/54/74/291065474.db2.gz HNDHMEXANOBMEY-WDEREUQCSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420312010 291065477 /nfs/dbraw/zinc/06/54/77/291065477.db2.gz HNDHMEXANOBMEY-WDEREUQCSA-N 1 3 271.361 -0.323 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000599933166 355519352 /nfs/dbraw/zinc/51/93/52/355519352.db2.gz CZRWUXZNPQQTRZ-WHOHXGKFSA-N 1 3 295.387 -0.920 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N(C)C ZINC000600761396 355564910 /nfs/dbraw/zinc/56/49/10/355564910.db2.gz PKYQCULZLHZJPA-GMTAPVOTSA-N 1 3 268.361 -0.903 20 0 CBADHO C[N@H+](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CC(C)(C)C ZINC000602523805 355657314 /nfs/dbraw/zinc/65/73/14/355657314.db2.gz IGEGCZURTXTLRE-RYUDHWBXSA-N 1 3 296.415 -0.265 20 0 CBADHO C[N@@H+](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CC(C)(C)C ZINC000602523805 355657317 /nfs/dbraw/zinc/65/73/17/355657317.db2.gz IGEGCZURTXTLRE-RYUDHWBXSA-N 1 3 296.415 -0.265 20 0 CBADHO C[N@H+](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CC(C)(C)C ZINC000602523799 355657663 /nfs/dbraw/zinc/65/76/63/355657663.db2.gz IGEGCZURTXTLRE-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO C[N@@H+](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CC(C)(C)C ZINC000602523799 355657665 /nfs/dbraw/zinc/65/76/65/355657665.db2.gz IGEGCZURTXTLRE-NEPJUHHUSA-N 1 3 296.415 -0.265 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000602605578 355664911 /nfs/dbraw/zinc/66/49/11/355664911.db2.gz WZZNFHVBQZEIET-SRVKXCTJSA-N 1 3 283.372 -0.133 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)CCN2C1=O ZINC000601974076 355623772 /nfs/dbraw/zinc/62/37/72/355623772.db2.gz LIIPCVHFLXKQMK-OHTBPHCPSA-N 1 3 292.383 -0.854 20 0 CBADHO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602875948 355679685 /nfs/dbraw/zinc/67/96/85/355679685.db2.gz CEYNMKQJMIHTHG-QWHCGFSZSA-N 1 3 274.361 -0.701 20 0 CBADHO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602875948 355679687 /nfs/dbraw/zinc/67/96/87/355679687.db2.gz CEYNMKQJMIHTHG-QWHCGFSZSA-N 1 3 274.361 -0.701 20 0 CBADHO CN(C)CCOCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612905294 355855989 /nfs/dbraw/zinc/85/59/89/355855989.db2.gz RSGYBMHIQOQONN-GFCCVEGCSA-N 1 3 258.366 -0.384 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974513 355858485 /nfs/dbraw/zinc/85/84/85/355858485.db2.gz HRXPMVSACLVHCD-WCQYABFASA-N 1 3 284.404 -0.260 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612979882 355858739 /nfs/dbraw/zinc/85/87/39/355858739.db2.gz KGQPABIKCCKETF-GFCCVEGCSA-N 1 3 284.404 -0.258 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614854791 355991920 /nfs/dbraw/zinc/99/19/20/355991920.db2.gz SJYICNHTJBHCSB-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614854791 355991924 /nfs/dbraw/zinc/99/19/24/355991924.db2.gz SJYICNHTJBHCSB-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000617752081 356154414 /nfs/dbraw/zinc/15/44/14/356154414.db2.gz JBCVQJAFNYEPTB-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CC1CN(C)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000618194271 356179582 /nfs/dbraw/zinc/17/95/82/356179582.db2.gz XOCHZKUPHUPTGD-ZDUSSCGKSA-N 1 3 296.415 -0.584 20 0 CBADHO CC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503554 356139661 /nfs/dbraw/zinc/13/96/61/356139661.db2.gz OFTKDFAHZJTVQQ-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503554 356139663 /nfs/dbraw/zinc/13/96/63/356139663.db2.gz OFTKDFAHZJTVQQ-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN(C)C1=O ZINC000617507038 356139683 /nfs/dbraw/zinc/13/96/83/356139683.db2.gz GAIFGFSPTQFYIJ-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN(C)C1=O ZINC000617507038 356139686 /nfs/dbraw/zinc/13/96/86/356139686.db2.gz GAIFGFSPTQFYIJ-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)C1CC1 ZINC000617504704 356139902 /nfs/dbraw/zinc/13/99/02/356139902.db2.gz GTKMRWKTKUGMAM-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)C1CC1 ZINC000617504704 356139907 /nfs/dbraw/zinc/13/99/07/356139907.db2.gz GTKMRWKTKUGMAM-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000619898072 356229895 /nfs/dbraw/zinc/22/98/95/356229895.db2.gz QFRSMCCAHRWQOY-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000619898072 356229897 /nfs/dbraw/zinc/22/98/97/356229897.db2.gz QFRSMCCAHRWQOY-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000621665118 356279959 /nfs/dbraw/zinc/27/99/59/356279959.db2.gz QVQRBGAZXBMAIW-RYUDHWBXSA-N 1 3 255.362 -0.129 20 0 CBADHO [NH3+][C@]12CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C2 ZINC000621784308 356284596 /nfs/dbraw/zinc/28/45/96/356284596.db2.gz MTNPEGMWXYHPTC-OCCSQVGLSA-N 1 3 266.389 -0.379 20 0 CBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621839032 356288950 /nfs/dbraw/zinc/28/89/50/356288950.db2.gz MWLGLXLBHQYBGL-XHDPSFHLSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H]1C[N@H+](CCCNc2nc(N)nc(N)n2)CCCO1 ZINC000624158546 356399804 /nfs/dbraw/zinc/39/98/04/356399804.db2.gz DTQBZCNHPDCDIW-SECBINFHSA-N 1 3 281.364 -0.969 20 0 CBADHO C[C@@H]1C[N@@H+](CCCNc2nc(N)nc(N)n2)CCCO1 ZINC000624158546 356399809 /nfs/dbraw/zinc/39/98/09/356399809.db2.gz DTQBZCNHPDCDIW-SECBINFHSA-N 1 3 281.364 -0.969 20 0 CBADHO C[NH+](C)[C@H](CNc1nc(N)nc(N)n1)c1cccs1 ZINC000623798493 356376692 /nfs/dbraw/zinc/37/66/92/356376692.db2.gz XCGBILXYNJNKBJ-SSDOTTSWSA-N 1 3 279.373 -0.105 20 0 CBADHO CC(C)[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623810329 356377025 /nfs/dbraw/zinc/37/70/25/356377025.db2.gz TVISCYUHIABLLY-UHFFFAOYSA-N 1 3 251.338 -0.597 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623907944 356381560 /nfs/dbraw/zinc/38/15/60/356381560.db2.gz JNQKDBLPIZVZGL-SECBINFHSA-N 1 3 265.365 -0.349 20 0 CBADHO CC(C)[N@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623907944 356381562 /nfs/dbraw/zinc/38/15/62/356381562.db2.gz JNQKDBLPIZVZGL-SECBINFHSA-N 1 3 265.365 -0.349 20 0 CBADHO CC[N@@H+]1CC[C@H](N(C)c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623991414 356386242 /nfs/dbraw/zinc/38/62/42/356386242.db2.gz HCAOEBNALRBSSK-BDAKNGLRSA-N 1 3 265.365 -0.137 20 0 CBADHO CC[N@H+]1CC[C@H](N(C)c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623991414 356386246 /nfs/dbraw/zinc/38/62/46/356386246.db2.gz HCAOEBNALRBSSK-BDAKNGLRSA-N 1 3 265.365 -0.137 20 0 CBADHO CC[N@@H+]1CC[C@@H](N(C)c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623991415 356386325 /nfs/dbraw/zinc/38/63/25/356386325.db2.gz HCAOEBNALRBSSK-DTWKUNHWSA-N 1 3 265.365 -0.137 20 0 CBADHO CC[N@H+]1CC[C@@H](N(C)c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623991415 356386327 /nfs/dbraw/zinc/38/63/27/356386327.db2.gz HCAOEBNALRBSSK-DTWKUNHWSA-N 1 3 265.365 -0.137 20 0 CBADHO CCC[N@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624005567 356388350 /nfs/dbraw/zinc/38/83/50/356388350.db2.gz UZCKYJXWFAZLTK-VIFPVBQESA-N 1 3 265.365 -0.135 20 0 CBADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624005567 356388352 /nfs/dbraw/zinc/38/83/52/356388352.db2.gz UZCKYJXWFAZLTK-VIFPVBQESA-N 1 3 265.365 -0.135 20 0 CBADHO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624011737 356389066 /nfs/dbraw/zinc/38/90/66/356389066.db2.gz HPYKJQVPLOCWPQ-JTQLQIEISA-N 1 3 277.376 -0.135 20 0 CBADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624011737 356389068 /nfs/dbraw/zinc/38/90/68/356389068.db2.gz HPYKJQVPLOCWPQ-JTQLQIEISA-N 1 3 277.376 -0.135 20 0 CBADHO CCCN(CCC[NH+](C)C)c1nc(N)nc(N)n1 ZINC000624150444 356399513 /nfs/dbraw/zinc/39/95/13/356399513.db2.gz IPZOGILVNVJVEN-UHFFFAOYSA-N 1 3 253.354 -0.135 20 0 CBADHO CC(C)(C)[N@@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624384298 356416062 /nfs/dbraw/zinc/41/60/62/356416062.db2.gz MPMUYGXNIFRUCB-MRVPVSSYSA-N 1 3 265.365 -0.349 20 0 CBADHO CC(C)(C)[N@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624384298 356416064 /nfs/dbraw/zinc/41/60/64/356416064.db2.gz MPMUYGXNIFRUCB-MRVPVSSYSA-N 1 3 265.365 -0.349 20 0 CBADHO Nc1nc(N)nc(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000624266892 356408441 /nfs/dbraw/zinc/40/84/41/356408441.db2.gz XIUWJRGBKYUVNP-UHFFFAOYSA-N 1 3 293.375 -0.972 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000626946074 356558499 /nfs/dbraw/zinc/55/84/99/356558499.db2.gz QZADBSQPQCLOJU-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000626946073 356558585 /nfs/dbraw/zinc/55/85/85/356558585.db2.gz QZADBSQPQCLOJU-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000626950442 356558743 /nfs/dbraw/zinc/55/87/43/356558743.db2.gz RFOZNJXWWLLGJH-LLVKDONJSA-N 1 3 258.366 -0.303 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626950230 356558822 /nfs/dbraw/zinc/55/88/22/356558822.db2.gz NIAQDXRICWTMDL-LLVKDONJSA-N 1 3 258.366 -0.255 20 0 CBADHO COCCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626950792 356559231 /nfs/dbraw/zinc/55/92/31/356559231.db2.gz BFACUJXUGQLVOH-GFCCVEGCSA-N 1 3 270.377 -0.242 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626949573 356559313 /nfs/dbraw/zinc/55/93/13/356559313.db2.gz FLUMRIIMBANAAV-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)NCCN(C)C1CC1 ZINC000626976484 356561669 /nfs/dbraw/zinc/56/16/69/356561669.db2.gz YQOQNCITDITSIT-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)CN(C)C ZINC000627035691 356569003 /nfs/dbraw/zinc/56/90/03/356569003.db2.gz JVIKDJKVMMTSID-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000626982528 356563230 /nfs/dbraw/zinc/56/32/30/356563230.db2.gz KDODHRZXXWUNHT-LBPRGKRZSA-N 1 3 288.392 -0.758 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1 ZINC000627134720 356587779 /nfs/dbraw/zinc/58/77/79/356587779.db2.gz AYULDCRHBKZQEE-TUAOUCFPSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1 ZINC000627134718 356587797 /nfs/dbraw/zinc/58/77/97/356587797.db2.gz AYULDCRHBKZQEE-QJPTWQEYSA-N 1 3 270.377 -0.162 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627135062 356587942 /nfs/dbraw/zinc/58/79/42/356587942.db2.gz MJIROZUILFDCIQ-NEPJUHHUSA-N 1 3 270.377 -0.160 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN(CC)CCO ZINC000627163506 356591897 /nfs/dbraw/zinc/59/18/97/356591897.db2.gz MOQOZFILRLHNIN-NWDGAFQWSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(O)CCN(C)CC1 ZINC000627240500 356610106 /nfs/dbraw/zinc/61/01/06/356610106.db2.gz YLMJZWNTTIPOCM-WDEREUQCSA-N 1 3 270.377 -0.507 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000627245099 356610950 /nfs/dbraw/zinc/61/09/50/356610950.db2.gz LEUDEJWCVZWURB-GARJFASQSA-N 1 3 255.366 -0.979 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000627177419 356595032 /nfs/dbraw/zinc/59/50/32/356595032.db2.gz HRIYOSYGQSHECR-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204243 356604660 /nfs/dbraw/zinc/60/46/60/356604660.db2.gz CFJNOVKVVVXLFM-NEPJUHHUSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)N2CCOC3(CNC3)C2)C[NH2+]1 ZINC000627210984 356606048 /nfs/dbraw/zinc/60/60/48/356606048.db2.gz YUORTGATFPCLRQ-GHMZBOCLSA-N 1 3 268.361 -0.489 20 0 CBADHO [NH3+]CCCOCCNC(=O)NCCNc1ccncc1 ZINC000627214171 356606969 /nfs/dbraw/zinc/60/69/69/356606969.db2.gz XRBHRRSEIRAGEW-UHFFFAOYSA-N 1 3 281.360 -0.420 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000627357636 356631483 /nfs/dbraw/zinc/63/14/83/356631483.db2.gz LMCDVSNDTPCORH-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000627354945 356631791 /nfs/dbraw/zinc/63/17/91/356631791.db2.gz SEBGMPFFSZRPLX-YHWZYXNKSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000627354945 356631795 /nfs/dbraw/zinc/63/17/95/356631795.db2.gz SEBGMPFFSZRPLX-YHWZYXNKSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000627365407 356633340 /nfs/dbraw/zinc/63/33/40/356633340.db2.gz NWLPAHHAHBCSAB-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1=CCN(C)CC1 ZINC000627376408 356635195 /nfs/dbraw/zinc/63/51/95/356635195.db2.gz ARZVQZJFTMOBER-CMPLNLGQSA-N 1 3 280.372 -0.769 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(CC)CC1 ZINC000627293579 356621015 /nfs/dbraw/zinc/62/10/15/356621015.db2.gz WYUZLRLPDUKINP-QWHCGFSZSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627293323 356621023 /nfs/dbraw/zinc/62/10/23/356621023.db2.gz QEWVEECMSVHPST-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[NH2+]1 ZINC000627304764 356622593 /nfs/dbraw/zinc/62/25/93/356622593.db2.gz DZEJIAVPZJILGW-XQHKEYJVSA-N 1 3 296.415 -0.158 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627428962 356645207 /nfs/dbraw/zinc/64/52/07/356645207.db2.gz TWGPGXVXDZJOKC-AVGNSLFASA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627378971 356636347 /nfs/dbraw/zinc/63/63/47/356636347.db2.gz ZHRBWTVMSQSPEM-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000627378971 356636351 /nfs/dbraw/zinc/63/63/51/356636351.db2.gz ZHRBWTVMSQSPEM-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507514 356661658 /nfs/dbraw/zinc/66/16/58/356661658.db2.gz WEIXUFZCDUCGMY-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478476 356653936 /nfs/dbraw/zinc/65/39/36/356653936.db2.gz NKKLEVUOPMKCTN-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000627503459 356659660 /nfs/dbraw/zinc/65/96/60/356659660.db2.gz NJSDCRKEELQFQV-SDDRHHMPSA-N 1 3 296.415 -0.158 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504266 356660098 /nfs/dbraw/zinc/66/00/98/356660098.db2.gz FYGOPRUOYFEYIN-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@H]21 ZINC000627653366 356667437 /nfs/dbraw/zinc/66/74/37/356667437.db2.gz MPRMKSRZIXNXKZ-RQJABVFESA-N 1 3 278.400 -0.605 20 0 CBADHO C[NH2+]CCOCCN(C)[C@H](C)CN1CCOCC1 ZINC000629572542 356781205 /nfs/dbraw/zinc/78/12/05/356781205.db2.gz WMWOJJIQFUZZJF-CYBMUJFWSA-N 1 3 259.394 -0.125 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629560605 356779586 /nfs/dbraw/zinc/77/95/86/356779586.db2.gz LUXRITSGVHPACX-LSDHHAIUSA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629560605 356779589 /nfs/dbraw/zinc/77/95/89/356779589.db2.gz LUXRITSGVHPACX-LSDHHAIUSA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CN(C)CCO1 ZINC000629570109 356781024 /nfs/dbraw/zinc/78/10/24/356781024.db2.gz IASHRCNDFGAHPO-MJBXVCDLSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)[C@@H]1CN(C)CCO1 ZINC000629570109 356781026 /nfs/dbraw/zinc/78/10/26/356781026.db2.gz IASHRCNDFGAHPO-MJBXVCDLSA-N 1 3 271.405 -0.248 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000629512183 356775819 /nfs/dbraw/zinc/77/58/19/356775819.db2.gz BKLNIQPWLYAJDQ-TUAOUCFPSA-N 1 3 254.378 -0.204 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000629512183 356775821 /nfs/dbraw/zinc/77/58/21/356775821.db2.gz BKLNIQPWLYAJDQ-TUAOUCFPSA-N 1 3 254.378 -0.204 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000629653101 356789340 /nfs/dbraw/zinc/78/93/40/356789340.db2.gz NBKFQMJAETVFQE-WCBMZHEXSA-N 1 3 251.334 -0.272 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629787749 356792400 /nfs/dbraw/zinc/79/24/00/356792400.db2.gz HKQCGDQALXCBFF-GASCZTMLSA-N 1 3 296.415 -0.536 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000629788474 356792567 /nfs/dbraw/zinc/79/25/67/356792567.db2.gz PYOQFZMZLSVGLL-UHFFFAOYSA-N 1 3 258.366 -0.796 20 0 CBADHO O=S1(=O)CCC[C@@H](NCCN2CC[NH2+]CC2)C1 ZINC000630343680 356835435 /nfs/dbraw/zinc/83/54/35/356835435.db2.gz JBFRGTJRPNFJFJ-LLVKDONJSA-N 1 3 261.391 -0.942 20 0 CBADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000629981681 356813042 /nfs/dbraw/zinc/81/30/42/356813042.db2.gz NZNBXUHCSDGGNT-CYBMUJFWSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000629981681 356813044 /nfs/dbraw/zinc/81/30/44/356813044.db2.gz NZNBXUHCSDGGNT-CYBMUJFWSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000629981683 356813239 /nfs/dbraw/zinc/81/32/39/356813239.db2.gz NZNBXUHCSDGGNT-ZDUSSCGKSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000629981683 356813241 /nfs/dbraw/zinc/81/32/41/356813241.db2.gz NZNBXUHCSDGGNT-ZDUSSCGKSA-N 1 3 255.362 -0.347 20 0 CBADHO O=C1CCC[C@H](C[NH2+]C[C@H](O)CN2CCCC2)N1 ZINC000629579431 356782523 /nfs/dbraw/zinc/78/25/23/356782523.db2.gz NHHVMZYKXJMGMB-NEPJUHHUSA-N 1 3 255.362 -0.299 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CCC(=O)N1CCNCC1)C2 ZINC000629592344 356783980 /nfs/dbraw/zinc/78/39/80/356783980.db2.gz ANYGKDLQZNZCNE-GASCZTMLSA-N 1 3 280.416 -0.260 20 0 CBADHO OCC[C@@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583742 356784325 /nfs/dbraw/zinc/78/43/25/356784325.db2.gz DNUHQFDLDMDPHQ-KGLIPLIRSA-N 1 3 272.389 -0.178 20 0 CBADHO OCC1(CNC[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000629583622 356784329 /nfs/dbraw/zinc/78/43/29/356784329.db2.gz GKNMJUGJNBPNBQ-CYBMUJFWSA-N 1 3 272.389 -0.178 20 0 CBADHO OC[C@@H](CN1CCCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596026 356785205 /nfs/dbraw/zinc/78/52/05/356785205.db2.gz QADQRNGGCSXGER-HUUCEWRRSA-N 1 3 285.432 -0.121 20 0 CBADHO CO[C@H]1CN(S(=O)(=O)CCCN(C)C)[C@](C)(C[NH3+])C1 ZINC000630369253 356839644 /nfs/dbraw/zinc/83/96/44/356839644.db2.gz WEWMQBAVIBLYEB-NEPJUHHUSA-N 1 3 293.433 -0.294 20 0 CBADHO c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CNCCO1 ZINC000630616303 356855124 /nfs/dbraw/zinc/85/51/24/356855124.db2.gz IDKWQYMSMOSRGX-WCQYABFASA-N 1 3 265.361 -0.191 20 0 CBADHO CN(C)CCCS(=O)(=O)NCC1CC[NH2+]CC1 ZINC000631900523 356917511 /nfs/dbraw/zinc/91/75/11/356917511.db2.gz CZVJLLHEVFFWDB-UHFFFAOYSA-N 1 3 263.407 -0.143 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000631901364 356918186 /nfs/dbraw/zinc/91/81/86/356918186.db2.gz AFAZPFPCIRINOK-LLVKDONJSA-N 1 3 263.407 -0.143 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631931550 356925333 /nfs/dbraw/zinc/92/53/33/356925333.db2.gz KZWDVPCDVDCIRC-NWDGAFQWSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631931551 356925444 /nfs/dbraw/zinc/92/54/44/356925444.db2.gz KZWDVPCDVDCIRC-RYUDHWBXSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000631945191 356930959 /nfs/dbraw/zinc/93/09/59/356930959.db2.gz QWYKIIAUDAKPHM-LLVKDONJSA-N 1 3 279.406 -0.683 20 0 CBADHO CCO[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@H]1C[NH3+] ZINC000631948050 356931288 /nfs/dbraw/zinc/93/12/88/356931288.db2.gz UZHHQXIBKHQFEU-VXGBXAGGSA-N 1 3 293.433 -0.437 20 0 CBADHO [NH3+]CCCOCCNS(=O)(=O)CCCN1CCCC1 ZINC000631955410 356934887 /nfs/dbraw/zinc/93/48/87/356934887.db2.gz JQVLVVZFXRGQOK-UHFFFAOYSA-N 1 3 293.433 -0.243 20 0 CBADHO CC1(OCC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)CNC1 ZINC000632862681 357028912 /nfs/dbraw/zinc/02/89/12/357028912.db2.gz UOLRNTYMBIRZDT-NWDGAFQWSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632878304 357029928 /nfs/dbraw/zinc/02/99/28/357029928.db2.gz OUZSTXYOGZYSOF-WCQYABFASA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632878303 357029990 /nfs/dbraw/zinc/02/99/90/357029990.db2.gz OUZSTXYOGZYSOF-DGCLKSJQSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C[NH3+] ZINC000633086602 357041445 /nfs/dbraw/zinc/04/14/45/357041445.db2.gz XWVIBFQTVXHCDD-CHWSQXEVSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633089673 357042557 /nfs/dbraw/zinc/04/25/57/357042557.db2.gz ZYVVSTOLAJJVOT-SRVKXCTJSA-N 1 3 280.372 -0.888 20 0 CBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095597 357044675 /nfs/dbraw/zinc/04/46/75/357044675.db2.gz XLGHTZLCOAMJGT-MROQNXINSA-N 1 3 294.399 -0.642 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633103545 357046317 /nfs/dbraw/zinc/04/63/17/357046317.db2.gz PZCLUACPUKGMOF-AVGNSLFASA-N 1 3 294.399 -0.500 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000633116121 357049747 /nfs/dbraw/zinc/04/97/47/357049747.db2.gz PFSBXIBAOJFHTC-GRYCIOLGSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000633117998 357050117 /nfs/dbraw/zinc/05/01/17/357050117.db2.gz HEBFYGFMVRZXEQ-WRWGMCAJSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000633116746 357050375 /nfs/dbraw/zinc/05/03/75/357050375.db2.gz WZWLINKEKLXDTQ-JHJVBQTASA-N 1 3 294.399 -0.369 20 0 CBADHO COC1(C(=O)N2C[C@@H](C)NC[C@@H]2C)CC[NH2+]CC1 ZINC000634275975 357114675 /nfs/dbraw/zinc/11/46/75/357114675.db2.gz RMBIGZFGTFVGST-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)C[NH+]1CCCC1 ZINC000419823625 295941309 /nfs/dbraw/zinc/94/13/09/295941309.db2.gz MDPVEDGTRGZHBB-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CN1CCNCC1)C2 ZINC000634740635 357131567 /nfs/dbraw/zinc/13/15/67/357131567.db2.gz CULDCPFTVNKPDH-OKILXGFUSA-N 1 3 266.389 -0.650 20 0 CBADHO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CNCCOC1 ZINC000634769172 357134295 /nfs/dbraw/zinc/13/42/95/357134295.db2.gz ORQNPPGTABMZSH-WZRBSPASSA-N 1 3 253.346 -0.519 20 0 CBADHO C[NH2+]C[C@@H](O)CNC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719887 357129236 /nfs/dbraw/zinc/12/92/36/357129236.db2.gz AXNGGKZWSARGQH-HZPDHXFCSA-N 1 3 293.411 -0.207 20 0 CBADHO C[C@@](O)(CO)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719840 357129455 /nfs/dbraw/zinc/12/94/55/357129455.db2.gz AIEJRTRGRALUPN-JKSUJKDBSA-N 1 3 294.395 -0.044 20 0 CBADHO C[C@@](O)(CO)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719840 357129457 /nfs/dbraw/zinc/12/94/57/357129457.db2.gz AIEJRTRGRALUPN-JKSUJKDBSA-N 1 3 294.395 -0.044 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634733897 357130934 /nfs/dbraw/zinc/13/09/34/357130934.db2.gz QSXXSZQSYGFLJZ-GUTXKFCHSA-N 1 3 280.416 -0.085 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635801219 357210085 /nfs/dbraw/zinc/21/00/85/357210085.db2.gz HHLNZCGMWCJLMR-DGCLKSJQSA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635801219 357210086 /nfs/dbraw/zinc/21/00/86/357210086.db2.gz HHLNZCGMWCJLMR-DGCLKSJQSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636287645 357276821 /nfs/dbraw/zinc/27/68/21/357276821.db2.gz KORUXUYCCISLCK-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636287645 357276823 /nfs/dbraw/zinc/27/68/23/357276823.db2.gz KORUXUYCCISLCK-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@@H](NC(=O)CN1CCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000637821061 357370277 /nfs/dbraw/zinc/37/02/77/357370277.db2.gz RTXUVXVITFUOBS-VXGBXAGGSA-N 1 3 254.378 -0.604 20 0 CBADHO C[C@@H](NC(=O)CN1CCNCC1)[C@H]1CCC[NH2+]C1 ZINC000637820958 357370881 /nfs/dbraw/zinc/37/08/81/357370881.db2.gz RTXUVXVITFUOBS-NEPJUHHUSA-N 1 3 254.378 -0.604 20 0 CBADHO CN(C(=O)[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000637837325 357373685 /nfs/dbraw/zinc/37/36/85/357373685.db2.gz DIBHPZLUNYKSQP-TUAOUCFPSA-N 1 3 253.346 -0.330 20 0 CBADHO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N(C)C ZINC000354700565 295944961 /nfs/dbraw/zinc/94/49/61/295944961.db2.gz WYIUIMRODNYGPP-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923886 357312516 /nfs/dbraw/zinc/31/25/16/357312516.db2.gz ZUEWBNAACWXYMG-MRVWCRGKSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923886 357312520 /nfs/dbraw/zinc/31/25/20/357312520.db2.gz ZUEWBNAACWXYMG-MRVWCRGKSA-N 1 3 296.415 -0.165 20 0 CBADHO CN(C)CCn1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cn1 ZINC000637838406 357374553 /nfs/dbraw/zinc/37/45/53/357374553.db2.gz WJGXCUWZKQEFSW-GFCCVEGCSA-N 1 3 265.361 -0.121 20 0 CBADHO C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@H](C)N1 ZINC000637841145 357375514 /nfs/dbraw/zinc/37/55/14/357375514.db2.gz RAYPTJMQRPQSNB-LOWVWBTDSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1CCCN(C(=O)CN2CCNCC2)[C@H]1C[NH3+] ZINC000637848543 357376166 /nfs/dbraw/zinc/37/61/66/357376166.db2.gz UBRTZIJTXCFRAV-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCCN1CCCO ZINC000637347601 357339601 /nfs/dbraw/zinc/33/96/01/357339601.db2.gz IAYYQVPSHKIQNJ-ZDUSSCGKSA-N 1 3 284.404 -0.116 20 0 CBADHO CN(C)CCn1c2cc(C(=O)NCC[NH3+])ccc2[nH]c1=O ZINC000637798292 357365155 /nfs/dbraw/zinc/36/51/55/357365155.db2.gz VOPPKNIOUHKRTF-UHFFFAOYSA-N 1 3 291.355 -0.008 20 0 CBADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCNCC1 ZINC000637800389 357365376 /nfs/dbraw/zinc/36/53/76/357365376.db2.gz DIZKCOIYAXRHMS-AWEZNQCLSA-N 1 3 276.384 -0.123 20 0 CBADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCNCC1 ZINC000637800389 357365379 /nfs/dbraw/zinc/36/53/79/357365379.db2.gz DIZKCOIYAXRHMS-AWEZNQCLSA-N 1 3 276.384 -0.123 20 0 CBADHO C[NH2+]CCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000637805029 357366642 /nfs/dbraw/zinc/36/66/42/357366642.db2.gz DASLFXHOWIETFG-UHFFFAOYSA-N 1 3 253.350 -0.216 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637806395 357368019 /nfs/dbraw/zinc/36/80/19/357368019.db2.gz RVBTTWBCXJVUBM-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO CN(CC(=O)NCCN1CC[NH2+]CC1)CC(C)(C)C ZINC000637810048 357368754 /nfs/dbraw/zinc/36/87/54/357368754.db2.gz BKPZMKLLNZBPTC-UHFFFAOYSA-N 1 3 270.421 -0.014 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638234602 357441161 /nfs/dbraw/zinc/44/11/61/357441161.db2.gz OIHDINUTIILZJC-MDZLAQPJSA-N 1 3 253.346 -0.295 20 0 CBADHO CCN[C@@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638236954 357441471 /nfs/dbraw/zinc/44/14/71/357441471.db2.gz MMVXMERAPIZRGL-NWDGAFQWSA-N 1 3 254.378 -0.510 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638248415 357443997 /nfs/dbraw/zinc/44/39/97/357443997.db2.gz SHMZKCXWUHJNGN-NEPJUHHUSA-N 1 3 252.362 -0.898 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000638243032 357441904 /nfs/dbraw/zinc/44/19/04/357441904.db2.gz JQKLFJTYOBKZIN-GCHJQGSQSA-N 1 3 251.330 -0.816 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN(C)CC2)C1 ZINC000638049882 357406046 /nfs/dbraw/zinc/40/60/46/357406046.db2.gz HVMGNTDPXYCLCL-AAEUAGOBSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638050973 357406751 /nfs/dbraw/zinc/40/67/51/357406751.db2.gz WLMRXZMTXAAOKZ-ZDUSSCGKSA-N 1 3 255.362 -0.048 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCCN2C)C1 ZINC000638077366 357412607 /nfs/dbraw/zinc/41/26/07/357412607.db2.gz RRFNEXPLKSGVJO-NTZNESFSSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCN1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638077866 357412609 /nfs/dbraw/zinc/41/26/09/357412609.db2.gz CCPKRPOWQPQDNV-UHFFFAOYSA-N 1 3 284.404 -0.881 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638101830 357417201 /nfs/dbraw/zinc/41/72/01/357417201.db2.gz RETJVVIQMZDXJQ-RYUDHWBXSA-N 1 3 253.346 -0.129 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137348 357423620 /nfs/dbraw/zinc/42/36/20/357423620.db2.gz IWPOLAJQYKSCQC-CQSZACIVSA-N 1 3 297.447 -0.966 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136825 357424400 /nfs/dbraw/zinc/42/44/00/357424400.db2.gz BNJFVHAUEHVUGM-HZSPNIEDSA-N 1 3 298.431 -0.508 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638132940 357424442 /nfs/dbraw/zinc/42/44/42/357424442.db2.gz XVMGHGPUQXRJNK-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638132940 357424443 /nfs/dbraw/zinc/42/44/43/357424443.db2.gz XVMGHGPUQXRJNK-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638137786 357424481 /nfs/dbraw/zinc/42/44/81/357424481.db2.gz NMIMBRACLBGVRZ-UKRRQHHQSA-N 1 3 298.431 -0.493 20 0 CBADHO O=C(CN1CCNCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141019 357425374 /nfs/dbraw/zinc/42/53/74/357425374.db2.gz DIIGJQWYJRAXJR-CQSZACIVSA-N 1 3 280.416 -0.118 20 0 CBADHO [NH3+][C@H](CNC(=O)[C@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000638154819 357427249 /nfs/dbraw/zinc/42/72/49/357427249.db2.gz RHSWJNNTIWQZTI-QJPTWQEYSA-N 1 3 253.346 -0.297 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)c1cnn(CCN(C)C)c1 ZINC000638152722 357427619 /nfs/dbraw/zinc/42/76/19/357427619.db2.gz BKYRXACWJGQELY-SNVBAGLBSA-N 1 3 253.350 -0.088 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000638164887 357428908 /nfs/dbraw/zinc/42/89/08/357428908.db2.gz MVCIVVOBECIEOX-HGCLJGPKSA-N 1 3 253.346 -0.312 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638169604 357430366 /nfs/dbraw/zinc/43/03/66/357430366.db2.gz HWBGVHPEWSFNAM-CYBMUJFWSA-N 1 3 252.362 -0.896 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000638245572 357443460 /nfs/dbraw/zinc/44/34/60/357443460.db2.gz PTOKABHGJWLVFG-GDNZZTSVSA-N 1 3 263.345 -0.608 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638198942 357434396 /nfs/dbraw/zinc/43/43/96/357434396.db2.gz ACHNKEAYUIHRTD-VXGBXAGGSA-N 1 3 252.362 -0.898 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN1CCNCC1 ZINC000637864669 357379593 /nfs/dbraw/zinc/37/95/93/357379593.db2.gz PGJAUZCDLCOYOI-GFCCVEGCSA-N 1 3 256.394 -0.277 20 0 CBADHO C[NH2+]CCOCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000638575445 357496562 /nfs/dbraw/zinc/49/65/62/357496562.db2.gz OGVSHKLXRRHADJ-UHFFFAOYSA-N 1 3 283.376 -0.590 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579085 357498034 /nfs/dbraw/zinc/49/80/34/357498034.db2.gz LZCMAWQLHGYSPL-SMDDNHRTSA-N 1 3 287.404 -0.129 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C[C@H]1CNCCO1 ZINC000638585964 357498569 /nfs/dbraw/zinc/49/85/69/357498569.db2.gz DDRBLNMEQGAMTN-NSHDSACASA-N 1 3 259.350 -0.941 20 0 CBADHO C[NH2+]CCOCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000638584181 357498844 /nfs/dbraw/zinc/49/88/44/357498844.db2.gz OQCARXQLARRAFQ-UHFFFAOYSA-N 1 3 277.368 -0.165 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C[C@H]1CSCCN1 ZINC000638592936 357499467 /nfs/dbraw/zinc/49/94/67/357499467.db2.gz WEPZRKMEECPJNE-NSHDSACASA-N 1 3 275.418 -0.224 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@]1(COC)CCCCN1 ZINC000638595141 357500082 /nfs/dbraw/zinc/50/00/82/357500082.db2.gz YASIRLCLLHPQOZ-CQSZACIVSA-N 1 3 287.404 -0.161 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249850 357444526 /nfs/dbraw/zinc/44/45/26/357444526.db2.gz XXZARHYXGXJFKI-BETUJISGSA-N 1 3 266.389 -0.650 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN1CCNCC1 ZINC000638261311 357445426 /nfs/dbraw/zinc/44/54/26/357445426.db2.gz DPWITCHODULHEU-NSHDSACASA-N 1 3 254.378 -0.604 20 0 CBADHO COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCCN1 ZINC000638263754 357446311 /nfs/dbraw/zinc/44/63/11/357446311.db2.gz CMWIZGRVWKWRCT-GXTWGEPZSA-N 1 3 285.388 -0.360 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCNC(C)(C)C2)C1 ZINC000638270289 357447504 /nfs/dbraw/zinc/44/75/04/357447504.db2.gz GIPHYZPSMONCKG-GWCFXTLKSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC000638312408 357454730 /nfs/dbraw/zinc/45/47/30/357454730.db2.gz FTHAMKOWSCOHSN-STQMWFEESA-N 1 3 266.389 -0.556 20 0 CBADHO [NH3+]C[C@@H](NC(=O)CN1CCNCC1)C1CCCC1 ZINC000638326626 357458834 /nfs/dbraw/zinc/45/88/34/357458834.db2.gz NJCXPQLLVZFYHD-GFCCVEGCSA-N 1 3 254.378 -0.475 20 0 CBADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000638338162 357459032 /nfs/dbraw/zinc/45/90/32/357459032.db2.gz SIVLVBMYGASLEG-KBPBESRZSA-N 1 3 293.367 -0.330 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC[NH3+] ZINC000638343052 357460100 /nfs/dbraw/zinc/46/01/00/357460100.db2.gz JWZHZLLMEGXZNW-ZDUSSCGKSA-N 1 3 264.373 -0.137 20 0 CBADHO C[C@@H]1C[C@@H](C)N(C(=O)CN2CCNCC2)C[C@H]1C[NH3+] ZINC000638356756 357462750 /nfs/dbraw/zinc/46/27/50/357462750.db2.gz GLROTWNVVIVWJM-JHJVBQTASA-N 1 3 268.405 -0.277 20 0 CBADHO NC[C@H]1c2ccccc2CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638374197 357463434 /nfs/dbraw/zinc/46/34/34/357463434.db2.gz XXGVKDRUWIZXMG-HNNXBMFYSA-N 1 3 288.395 -0.024 20 0 CBADHO C[C@]1(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000638439855 357477638 /nfs/dbraw/zinc/47/76/38/357477638.db2.gz LHOTXPHUTJLECZ-WZRBSPASSA-N 1 3 253.346 -0.282 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CC[NH2+]C23CCC3)CNC1 ZINC000638507200 357491118 /nfs/dbraw/zinc/49/11/18/357491118.db2.gz BUSOXQSDXBOWTA-SNVBAGLBSA-N 1 3 253.346 -0.234 20 0 CBADHO O=C(CCOC1CNC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510977 357492230 /nfs/dbraw/zinc/49/22/30/357492230.db2.gz YRHSFHJLLJCDSW-LLVKDONJSA-N 1 3 253.346 -0.234 20 0 CBADHO [NH3+]C1(CNC(=O)C[C@H]2CSCCN2)CCOCC1 ZINC000638540277 357493311 /nfs/dbraw/zinc/49/33/11/357493311.db2.gz LZNCNYLYSDBIQX-JTQLQIEISA-N 1 3 273.402 -0.294 20 0 CBADHO CN(C)CCn1cc(C(=O)N(C)CCOCC[NH3+])cn1 ZINC000638673808 357519342 /nfs/dbraw/zinc/51/93/42/357519342.db2.gz OSOQHFLDDGKVJU-UHFFFAOYSA-N 1 3 283.376 -0.508 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)CCOC2CNC2)CC1 ZINC000638968051 357547410 /nfs/dbraw/zinc/54/74/10/357547410.db2.gz OVAOWSRWCXXVPD-XYPYZODXSA-N 1 3 255.362 -0.001 20 0 CBADHO CC1(OCC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CNC1 ZINC000638966564 357547467 /nfs/dbraw/zinc/54/74/67/357547467.db2.gz DNFSABSSSAELCJ-XYPYZODXSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1CNCCO1 ZINC000638987285 357549127 /nfs/dbraw/zinc/54/91/27/357549127.db2.gz OKWCWMQMDYBHDP-LBPRGKRZSA-N 1 3 291.355 -0.582 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020176 357552906 /nfs/dbraw/zinc/55/29/06/357552906.db2.gz DHPIFDLQDGNBMD-SCRDCRAPSA-N 1 3 296.415 -0.314 20 0 CBADHO CN1CC[C@](O)(C[NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000639049605 357555761 /nfs/dbraw/zinc/55/57/61/357555761.db2.gz VXEMXZCKLNDKKO-HNNXBMFYSA-N 1 3 285.432 -0.122 20 0 CBADHO CNS(=O)(=O)CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639086982 357556533 /nfs/dbraw/zinc/55/65/33/357556533.db2.gz BWMIOEZBYCYKAA-UHFFFAOYSA-N 1 3 293.433 -0.640 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cnc(N)nc2N)C1 ZINC000639313609 357566490 /nfs/dbraw/zinc/56/64/90/357566490.db2.gz ZBMIFSYBZMEWHU-WAAGHKOSSA-N 1 3 250.350 -0.268 20 0 CBADHO CN(C)CCc1cn(C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641222740 357682994 /nfs/dbraw/zinc/68/29/94/357682994.db2.gz CXMLQHNFBCLKOM-ZDUSSCGKSA-N 1 3 267.377 -0.163 20 0 CBADHO CN(C)CCc1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641222740 357682997 /nfs/dbraw/zinc/68/29/97/357682997.db2.gz CXMLQHNFBCLKOM-ZDUSSCGKSA-N 1 3 267.377 -0.163 20 0 CBADHO CC[NH2+]CC1CCN(CCCS(N)(=O)=O)CC1 ZINC000641797120 357742351 /nfs/dbraw/zinc/74/23/51/357742351.db2.gz UZRMQSQPPXKFOB-UHFFFAOYSA-N 1 3 263.407 -0.014 20 0 CBADHO C[NH2+]CCC1CCN(CCCS(N)(=O)=O)CC1 ZINC000641797544 357742363 /nfs/dbraw/zinc/74/23/63/357742363.db2.gz FGSBFTDNRDIONT-UHFFFAOYSA-N 1 3 263.407 -0.014 20 0 CBADHO CN(CCc1cncn1C)CCN1CC[NH2+]CC1 ZINC000641797249 357742656 /nfs/dbraw/zinc/74/26/56/357742656.db2.gz ZETXEPMSGLZJTI-UHFFFAOYSA-N 1 3 251.378 -0.200 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000642439369 357753963 /nfs/dbraw/zinc/75/39/63/357753963.db2.gz CZYVPHKLXKNOGA-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000642403976 357754588 /nfs/dbraw/zinc/75/45/88/357754588.db2.gz PXFCAMOSWPOWOA-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642439561 357755161 /nfs/dbraw/zinc/75/51/61/357755161.db2.gz MCKAZWPGZUHHQP-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642439937 357755531 /nfs/dbraw/zinc/75/55/31/357755531.db2.gz SIBRXZKRYVRAPY-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000642439532 357755647 /nfs/dbraw/zinc/75/56/47/357755647.db2.gz KYPIPZUOVIINMT-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000642439514 357755654 /nfs/dbraw/zinc/75/56/54/357755654.db2.gz KFIKFNYNNYEPOJ-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642732144 357760364 /nfs/dbraw/zinc/76/03/64/357760364.db2.gz GPHUHTGMBOLNMD-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642732135 357760434 /nfs/dbraw/zinc/76/04/34/357760434.db2.gz DYACQPPGSGSDOZ-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785658 357762700 /nfs/dbraw/zinc/76/27/00/357762700.db2.gz BWYCHDRDYUOSHP-QWHCGFSZSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642786016 357762723 /nfs/dbraw/zinc/76/27/23/357762723.db2.gz XFOIRNLKUPPLSV-OLZOCXBDSA-N 1 3 294.399 -0.593 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785664 357762754 /nfs/dbraw/zinc/76/27/54/357762754.db2.gz CJQYMWLIZDVBLC-CHWSQXEVSA-N 1 3 294.399 -0.463 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902727 357765262 /nfs/dbraw/zinc/76/52/62/357765262.db2.gz YSYNODDTCNHAIR-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000642961144 357773810 /nfs/dbraw/zinc/77/38/10/357773810.db2.gz QBTRAEBUKGVTOR-QWHCGFSZSA-N 1 3 296.415 -0.171 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)C[C@@H]21 ZINC000643589969 357791514 /nfs/dbraw/zinc/79/15/14/357791514.db2.gz CVWMGSSIHQRKRU-WOPDTQHZSA-N 1 3 280.372 -0.901 20 0 CBADHO CN1CCN(C(=O)CN[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643472255 357784091 /nfs/dbraw/zinc/78/40/91/357784091.db2.gz MQNMNNDQBHVUIL-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CN1C1CC1 ZINC000346124554 291131253 /nfs/dbraw/zinc/13/12/53/291131253.db2.gz XPEZNIFTIYESMT-RYUDHWBXSA-N 1 3 296.415 -0.252 20 0 CBADHO CCN1CCN(CCC[NH2+][C@H](C)CC(N)=O)CC1 ZINC000341966941 216170112 /nfs/dbraw/zinc/17/01/12/216170112.db2.gz MOWBRCBVGUORKK-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494415 541320528 /nfs/dbraw/zinc/32/05/28/541320528.db2.gz OQVWBSMMRBSRLB-DYEKYZERSA-N 1 3 261.373 -0.024 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]1 ZINC000370093025 288559267 /nfs/dbraw/zinc/55/92/67/288559267.db2.gz HOLUFFMEUJQSGB-BDAKNGLRSA-N 1 3 263.345 -0.074 20 0 CBADHO CCN(CC)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552208583 283978610 /nfs/dbraw/zinc/97/86/10/283978610.db2.gz SNFRUARZDDNIAU-CQSZACIVSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288656 335007186 /nfs/dbraw/zinc/00/71/86/335007186.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 1 3 271.405 -0.296 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288656 335007187 /nfs/dbraw/zinc/00/71/87/335007187.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 1 3 271.405 -0.296 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288659 335007213 /nfs/dbraw/zinc/00/72/13/335007213.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 1 3 271.405 -0.296 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288659 335007214 /nfs/dbraw/zinc/00/72/14/335007214.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 1 3 271.405 -0.296 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288658 335007356 /nfs/dbraw/zinc/00/73/56/335007356.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 1 3 271.405 -0.296 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288658 335007357 /nfs/dbraw/zinc/00/73/57/335007357.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 1 3 271.405 -0.296 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000576585166 335222535 /nfs/dbraw/zinc/22/25/35/335222535.db2.gz RQGZPTVXZGUNJW-GJZGRUSLSA-N 1 3 285.432 -0.122 20 0 CBADHO COCCCN(C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344443891 217191941 /nfs/dbraw/zinc/19/19/41/217191941.db2.gz PVXKPMSHJDMJAT-UHFFFAOYSA-N 1 3 287.404 -0.174 20 0 CBADHO COC[C@@]1(CNC(=O)C(N)C(F)(F)F)CCC[NH2+]1 ZINC000353426620 220076247 /nfs/dbraw/zinc/07/62/47/220076247.db2.gz JXKPOHZBOLZCGA-CBAPKCEASA-N 1 3 269.267 -0.239 20 0 CBADHO C[C@@H](C(=O)N(C)C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648003 372838703 /nfs/dbraw/zinc/83/87/03/372838703.db2.gz SBEHYUKOSAJRTE-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](CN)OC ZINC000353463449 220097640 /nfs/dbraw/zinc/09/76/40/220097640.db2.gz VMKZGSCCTQVZBF-GHMZBOCLSA-N 1 3 261.366 -0.567 20 0 CBADHO CC(C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000253195195 372899399 /nfs/dbraw/zinc/89/93/99/372899399.db2.gz RFMRFMCDPMEALL-KXUCPTDWSA-N 1 3 262.375 -0.137 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000333294648 373009389 /nfs/dbraw/zinc/00/93/89/373009389.db2.gz IDSAWHMVLODELS-MDZLAQPJSA-N 1 3 282.388 -0.019 20 0 CBADHO C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000333773901 373014488 /nfs/dbraw/zinc/01/44/88/373014488.db2.gz CLXHNRKLOYRCOK-NEPJUHHUSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184889 373039385 /nfs/dbraw/zinc/03/93/85/373039385.db2.gz KNASLZRKJKEMSK-VHSXEESVSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184889 373039393 /nfs/dbraw/zinc/03/93/93/373039393.db2.gz KNASLZRKJKEMSK-VHSXEESVSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648999 373069170 /nfs/dbraw/zinc/06/91/70/373069170.db2.gz GIBSPJTZIBINHW-VHSXEESVSA-N 1 3 266.345 -0.747 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)CN1C1CC1 ZINC000346124547 373066505 /nfs/dbraw/zinc/06/65/05/373066505.db2.gz XPEZNIFTIYESMT-NEPJUHHUSA-N 1 3 296.415 -0.252 20 0 CBADHO C[N@H+](C[C@H](O)CN1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357424 373103913 /nfs/dbraw/zinc/10/39/13/373103913.db2.gz MZOCZSGHJUPFEW-AAEUAGOBSA-N 1 3 255.362 -0.361 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357424 373103920 /nfs/dbraw/zinc/10/39/20/373103920.db2.gz MZOCZSGHJUPFEW-AAEUAGOBSA-N 1 3 255.362 -0.361 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000353581237 220171383 /nfs/dbraw/zinc/17/13/83/220171383.db2.gz NJKDIMSOWOEYBI-MNOVXSKESA-N 1 3 275.418 -0.096 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000361710345 373327667 /nfs/dbraw/zinc/32/76/67/373327667.db2.gz IMQWSYLLCCPCDI-GFCCVEGCSA-N 1 3 261.341 -0.228 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000361710345 373327674 /nfs/dbraw/zinc/32/76/74/373327674.db2.gz IMQWSYLLCCPCDI-GFCCVEGCSA-N 1 3 261.341 -0.228 20 0 CBADHO CCC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600701 220182962 /nfs/dbraw/zinc/18/29/62/220182962.db2.gz XNXIUCFRTHEVBV-VXGBXAGGSA-N 1 3 284.404 -0.183 20 0 CBADHO CCC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600701 220182966 /nfs/dbraw/zinc/18/29/66/220182966.db2.gz XNXIUCFRTHEVBV-VXGBXAGGSA-N 1 3 284.404 -0.183 20 0 CBADHO NC1(C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000364160477 373521570 /nfs/dbraw/zinc/52/15/70/373521570.db2.gz KPPXXPPYAOWYBY-CYBMUJFWSA-N 1 3 275.352 -0.331 20 0 CBADHO CN1CCN([C@H]2CCCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000367828489 373539657 /nfs/dbraw/zinc/53/96/57/373539657.db2.gz UUFLUMLACDPIBT-AWEZNQCLSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000370772012 373550621 /nfs/dbraw/zinc/55/06/21/373550621.db2.gz JCPRZSZGSWHTDS-JSGCOSHPSA-N 1 3 286.395 -0.312 20 0 CBADHO O=C([C@H]1CCCCN1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377563716 373576330 /nfs/dbraw/zinc/57/63/30/373576330.db2.gz MDLIOXPBSHQIBS-QWHCGFSZSA-N 1 3 266.389 -0.365 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000417099424 373628410 /nfs/dbraw/zinc/62/84/10/373628410.db2.gz ZXLVDEAEGYJKCX-LLVKDONJSA-N 1 3 260.382 -0.009 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417096217 373628866 /nfs/dbraw/zinc/62/88/66/373628866.db2.gz VTKXABMMWKTQOD-WDEREUQCSA-N 1 3 260.382 -0.010 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417439996 373628963 /nfs/dbraw/zinc/62/89/63/373628963.db2.gz NHENESGDAQYCGW-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417439022 373629082 /nfs/dbraw/zinc/62/90/82/373629082.db2.gz KOSQHDHZVVTGHX-NSHDSACASA-N 1 3 260.382 -0.153 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417442539 373629626 /nfs/dbraw/zinc/62/96/26/373629626.db2.gz VAMXFOBKNDYTIY-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417442539 373629631 /nfs/dbraw/zinc/62/96/31/373629631.db2.gz VAMXFOBKNDYTIY-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO [NH3+][C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C1CC1 ZINC000418494364 373632416 /nfs/dbraw/zinc/63/24/16/373632416.db2.gz XSZZPDNRPRICAU-QWHCGFSZSA-N 1 3 284.404 -0.130 20 0 CBADHO C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)[C@H](C)[NH3+] ZINC000418699114 373633356 /nfs/dbraw/zinc/63/33/56/373633356.db2.gz NSWWBSQLXWVKON-QJPTWQEYSA-N 1 3 272.393 -0.132 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419165023 373635368 /nfs/dbraw/zinc/63/53/68/373635368.db2.gz ZYHFMHXQZABCFQ-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418781569 373635628 /nfs/dbraw/zinc/63/56/28/373635628.db2.gz CRPFISFTUZMPBD-MGPQQGTHSA-N 1 3 298.431 -0.012 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000419502247 373638053 /nfs/dbraw/zinc/63/80/53/373638053.db2.gz CLYLYFYVGBLMKZ-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419993826 373647240 /nfs/dbraw/zinc/64/72/40/373647240.db2.gz KRVIEHDFDSFJNZ-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO O=C(CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCNCC1 ZINC000420392691 373651544 /nfs/dbraw/zinc/65/15/44/373651544.db2.gz JDMQOVYKTCLCPZ-BETUJISGSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CC[N@H+]1C[C@H]2CCC[C@@H](C1)N2)N1CCNCC1 ZINC000420392691 373651551 /nfs/dbraw/zinc/65/15/51/373651551.db2.gz JDMQOVYKTCLCPZ-BETUJISGSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)N1CCNCC1 ZINC000420392691 373651558 /nfs/dbraw/zinc/65/15/58/373651558.db2.gz JDMQOVYKTCLCPZ-BETUJISGSA-N 1 3 266.389 -0.365 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163704 373664835 /nfs/dbraw/zinc/66/48/35/373664835.db2.gz XYZUYELZIYUMHX-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430886525 373675130 /nfs/dbraw/zinc/67/51/30/373675130.db2.gz AOTGVWZHVJYUJO-QWRGUYRKSA-N 1 3 270.377 -0.573 20 0 CBADHO CC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430886525 373675137 /nfs/dbraw/zinc/67/51/37/373675137.db2.gz AOTGVWZHVJYUJO-QWRGUYRKSA-N 1 3 270.377 -0.573 20 0 CBADHO CN(C)C/C=C/C(=O)N(C)CCNC(=O)/C=C\C[NH+](C)C ZINC000493781344 373729650 /nfs/dbraw/zinc/72/96/50/373729650.db2.gz FGYMPHDIMQWMPU-MKKAVFGOSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C/C=C\C(=O)NCCN(C)C(=O)/C=C/C[NH+](C)C ZINC000493781344 373729654 /nfs/dbraw/zinc/72/96/54/373729654.db2.gz FGYMPHDIMQWMPU-MKKAVFGOSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000514605197 373758026 /nfs/dbraw/zinc/75/80/26/373758026.db2.gz JQJQVXHWCSPTHR-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCCN(C)C ZINC000516490628 373814773 /nfs/dbraw/zinc/81/47/73/373814773.db2.gz LHHOZJJIKJQYID-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCCN(C)C ZINC000516490628 373814780 /nfs/dbraw/zinc/81/47/80/373814780.db2.gz LHHOZJJIKJQYID-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1[NH3+] ZINC000516650514 373818274 /nfs/dbraw/zinc/81/82/74/373818274.db2.gz ORGDCSPGAOGKFN-GRYCIOLGSA-N 1 3 254.378 -0.537 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000520226251 373829758 /nfs/dbraw/zinc/82/97/58/373829758.db2.gz FGMPSEUVZQOQEX-GHMZBOCLSA-N 1 3 272.393 -0.132 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000520232092 373830894 /nfs/dbraw/zinc/83/08/94/373830894.db2.gz RQNROKSAAMCOLK-HBNTYKKESA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000515302451 373781797 /nfs/dbraw/zinc/78/17/97/373781797.db2.gz UXBBQYFJWQVWBS-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000515302451 373781808 /nfs/dbraw/zinc/78/18/08/373781808.db2.gz UXBBQYFJWQVWBS-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO CN1CCN(C[C@@H](O)CNCCC[NH+]2CCCC2)CC1 ZINC000515347203 373783954 /nfs/dbraw/zinc/78/39/54/373783954.db2.gz WSRMKTWLALHSCH-HNNXBMFYSA-N 1 3 284.448 -0.330 20 0 CBADHO C[C@@H]1C[NH2+]CCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000515845429 373797163 /nfs/dbraw/zinc/79/71/63/373797163.db2.gz GEHYDSYKLKVFDC-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]1CN(CCN2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846086 373797747 /nfs/dbraw/zinc/79/77/47/373797747.db2.gz CDQFDVVYCQRZID-UONOGXRCSA-N 1 3 298.431 -0.506 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000515847946 373797891 /nfs/dbraw/zinc/79/78/91/373797891.db2.gz VGHAVYJVXOAPSE-QWRGUYRKSA-N 1 3 271.361 -0.003 20 0 CBADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC2CNC2)CC1 ZINC000521986597 373855684 /nfs/dbraw/zinc/85/56/84/373855684.db2.gz VSJNEBPBVBRFIY-UHFFFAOYSA-N 1 3 282.388 -0.689 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000521997564 373856797 /nfs/dbraw/zinc/85/67/97/373856797.db2.gz NHZBSHSYYRLANZ-GFCCVEGCSA-N 1 3 283.372 -0.260 20 0 CBADHO CC(=O)NCC(=O)N1CCCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530231707 374069272 /nfs/dbraw/zinc/06/92/72/374069272.db2.gz KYUWVRLTBUDHCV-AWEZNQCLSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@H]1CCC[N@H+](CCNCCC(=O)NC(N)=O)C1 ZINC000548832087 374218663 /nfs/dbraw/zinc/21/86/63/374218663.db2.gz BHWMFBVAGLAMDN-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)NC(N)=O)C1 ZINC000548832087 374218668 /nfs/dbraw/zinc/21/86/68/374218668.db2.gz BHWMFBVAGLAMDN-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000583264195 374359021 /nfs/dbraw/zinc/35/90/21/374359021.db2.gz GOQOLLZBQOMIKC-IUCAKERBSA-N 1 3 259.350 -0.244 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@H]2C1 ZINC000583320410 374362059 /nfs/dbraw/zinc/36/20/59/374362059.db2.gz SJDHNZUCBGZMQR-AAEUAGOBSA-N 1 3 267.373 -0.083 20 0 CBADHO CNCC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000577952979 374346112 /nfs/dbraw/zinc/34/61/12/374346112.db2.gz LJGCRYLSICPALH-UHFFFAOYSA-N 1 3 286.357 -0.919 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000577964492 374346940 /nfs/dbraw/zinc/34/69/40/374346940.db2.gz NTJRVMNONSAZDV-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964061 374347285 /nfs/dbraw/zinc/34/72/85/374347285.db2.gz XHWFZLYOZQOBRW-IRCOFANPSA-N 1 3 280.372 -0.726 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000577955507 374347299 /nfs/dbraw/zinc/34/72/99/374347299.db2.gz WATSDRFDFQQDKK-WDEREUQCSA-N 1 3 271.361 -0.275 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000577955507 374347303 /nfs/dbraw/zinc/34/73/03/374347303.db2.gz WATSDRFDFQQDKK-WDEREUQCSA-N 1 3 271.361 -0.275 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000578069538 374350363 /nfs/dbraw/zinc/35/03/63/374350363.db2.gz IBUXUORHQWSAST-TUAOUCFPSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@H](CNC(=O)NC[C@H]1CNCCO1)[N@H+](C)C1CC1 ZINC000578051316 374350554 /nfs/dbraw/zinc/35/05/54/374350554.db2.gz MDHAVEFYLSMQSO-ZYHUDNBSSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@H](CNC(=O)NC[C@H]1CNCCO1)[N@@H+](C)C1CC1 ZINC000578051316 374350560 /nfs/dbraw/zinc/35/05/60/374350560.db2.gz MDHAVEFYLSMQSO-ZYHUDNBSSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@H](CNC(=O)NC[C@@H]1CNCCO1)[N@H+](C)C1CC1 ZINC000578051315 374350860 /nfs/dbraw/zinc/35/08/60/374350860.db2.gz MDHAVEFYLSMQSO-PWSUYJOCSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@H](CNC(=O)NC[C@@H]1CNCCO1)[N@@H+](C)C1CC1 ZINC000578051315 374350866 /nfs/dbraw/zinc/35/08/66/374350866.db2.gz MDHAVEFYLSMQSO-PWSUYJOCSA-N 1 3 270.377 -0.243 20 0 CBADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)CC1 ZINC000643775537 374411603 /nfs/dbraw/zinc/41/16/03/374411603.db2.gz ZBLHZZIUQMBSNH-KGLIPLIRSA-N 1 3 280.416 -0.180 20 0 CBADHO COC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]C1 ZINC000644141982 374492276 /nfs/dbraw/zinc/49/22/76/374492276.db2.gz XIGXLQWQPJQUDB-JBLDHEPKSA-N 1 3 259.325 -0.571 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141892 374492733 /nfs/dbraw/zinc/49/27/33/374492733.db2.gz JTKAKMJYNBDTQP-GARJFASQSA-N 1 3 259.325 -0.429 20 0 CBADHO C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000644669152 374608304 /nfs/dbraw/zinc/60/83/04/374608304.db2.gz MRPCCHWALQJRHP-CYBMUJFWSA-N 1 3 271.405 -0.247 20 0 CBADHO CN1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645684666 374692184 /nfs/dbraw/zinc/69/21/84/374692184.db2.gz DGWFTLKNJORMQV-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000646190299 374752864 /nfs/dbraw/zinc/75/28/64/374752864.db2.gz LCVGSXSNOBMWTC-CYBMUJFWSA-N 1 3 286.420 -0.649 20 0 CBADHO C[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646003031 374724853 /nfs/dbraw/zinc/72/48/53/374724853.db2.gz OGFIVRHDPYCLJQ-NEPJUHHUSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003031 374724860 /nfs/dbraw/zinc/72/48/60/374724860.db2.gz OGFIVRHDPYCLJQ-NEPJUHHUSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)[C@@H]1C[NH3+] ZINC000646771603 374811139 /nfs/dbraw/zinc/81/11/39/374811139.db2.gz YXMFUZYGGNPMIL-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)([NH3+])CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803538 374817623 /nfs/dbraw/zinc/81/76/23/374817623.db2.gz CJAZXBUMFXUELO-UHFFFAOYSA-N 1 3 267.337 -0.720 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336389 374771014 /nfs/dbraw/zinc/77/10/14/374771014.db2.gz QTMWYAPVIQIYGP-IJLUTSLNSA-N 1 3 253.346 -0.425 20 0 CBADHO NC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000646350365 374772650 /nfs/dbraw/zinc/77/26/50/374772650.db2.gz ZYHIZWIKGWHBAZ-NSHDSACASA-N 1 3 252.362 -0.626 20 0 CBADHO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N(C)C ZINC000646427272 374777978 /nfs/dbraw/zinc/77/79/78/374777978.db2.gz XLCJCPFFEPYMSG-GHMZBOCLSA-N 1 3 280.376 -0.290 20 0 CBADHO CC1(C)C[NH2+][C@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000646411978 374778044 /nfs/dbraw/zinc/77/80/44/374778044.db2.gz QFTWELLUFRSADO-LBPRGKRZSA-N 1 3 269.389 -0.053 20 0 CBADHO CN(C)CCN(Cc1ccccn1)C(=O)COCC[NH3+] ZINC000646433360 374779388 /nfs/dbraw/zinc/77/93/88/374779388.db2.gz SCYBUMDTWYBFMA-UHFFFAOYSA-N 1 3 280.372 -0.053 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647083815 374882412 /nfs/dbraw/zinc/88/24/12/374882412.db2.gz SBICTJSFGFCUGX-WOPDTQHZSA-N 1 3 253.346 -0.425 20 0 CBADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CNCCO1 ZINC000647086476 374883847 /nfs/dbraw/zinc/88/38/47/374883847.db2.gz QBKMAUNNPAVOPG-SDDRHHMPSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C([C@H]1CNCCC1(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113494 374887165 /nfs/dbraw/zinc/88/71/65/374887165.db2.gz HLHFJGXDIARSMZ-KXUCPTDWSA-N 1 3 259.300 -0.091 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC000646972397 374854240 /nfs/dbraw/zinc/85/42/40/374854240.db2.gz VLJYLAMVHSWOKO-WDMOLILDSA-N 1 3 285.388 -0.295 20 0 CBADHO CC[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000647014958 374860159 /nfs/dbraw/zinc/86/01/59/374860159.db2.gz DINMLCLKSRADJN-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000647022844 374863148 /nfs/dbraw/zinc/86/31/48/374863148.db2.gz HZZKPHINZKRLJE-DCJFZGGZSA-N 1 3 255.362 -0.018 20 0 CBADHO C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000574569217 335030082 /nfs/dbraw/zinc/03/00/82/335030082.db2.gz LFEMCNSJFHCQMS-VWYCJHECSA-N 1 3 268.361 -0.937 20 0 CBADHO COCCN(C)CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356312072 248232688 /nfs/dbraw/zinc/23/26/88/248232688.db2.gz OXPHRSMIOOYCLM-UHFFFAOYSA-N 1 3 295.387 -0.207 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)CN1 ZINC000356397576 248246558 /nfs/dbraw/zinc/24/65/58/248246558.db2.gz XXYVYPRYAPUTKJ-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)CN1 ZINC000356397577 248247533 /nfs/dbraw/zinc/24/75/33/248247533.db2.gz XXYVYPRYAPUTKJ-UPJWGTAASA-N 1 3 296.415 -0.395 20 0 CBADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000356964394 248305081 /nfs/dbraw/zinc/30/50/81/248305081.db2.gz YFJKJBUQSYCYPT-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000357242038 248337282 /nfs/dbraw/zinc/33/72/82/248337282.db2.gz LPWGWQGYVVTOMI-LBPRGKRZSA-N 1 3 282.388 -0.652 20 0 CBADHO C[C@@H](C[NH3+])C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000357240726 248337012 /nfs/dbraw/zinc/33/70/12/248337012.db2.gz KAXQGDYMXKQJMR-JTQLQIEISA-N 1 3 296.375 -0.906 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419720510 284626495 /nfs/dbraw/zinc/62/64/95/284626495.db2.gz FOWXXPCMRPQFPG-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO Cn1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346851426 218035778 /nfs/dbraw/zinc/03/57/78/218035778.db2.gz JUNJJHXPTQSRIZ-WCQGTBRESA-N 1 3 278.356 -0.747 20 0 CBADHO CCNS(=O)(=O)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000346969037 218073248 /nfs/dbraw/zinc/07/32/48/218073248.db2.gz KBPUHPRIUKKVOI-GFCCVEGCSA-N 1 3 275.418 0.000 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000347186998 218150383 /nfs/dbraw/zinc/15/03/83/218150383.db2.gz FTIMUSCBQGIDQV-LBPRGKRZSA-N 1 3 274.409 -0.060 20 0 CBADHO COCCN(C)CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278651439 194083999 /nfs/dbraw/zinc/08/39/99/194083999.db2.gz ALWDCQJETDCZCG-LLVKDONJSA-N 1 3 295.387 -0.205 20 0 CBADHO CN(C(=O)CCOC1C[NH2+]C1)C1CCN(C)CC1 ZINC000347647999 218306060 /nfs/dbraw/zinc/30/60/60/218306060.db2.gz FXHRUXTVHGQZBV-UHFFFAOYSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000193376354 207466730 /nfs/dbraw/zinc/46/67/30/207466730.db2.gz NFKJJJYSYDBCQI-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817640 207564132 /nfs/dbraw/zinc/56/41/32/207564132.db2.gz VFATUMFIHASLET-OLZOCXBDSA-N 1 3 268.405 -0.214 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418557844 207596812 /nfs/dbraw/zinc/59/68/12/207596812.db2.gz OZJIGZVHNWPOJV-LLVKDONJSA-N 1 3 260.382 -0.057 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000262823024 285020315 /nfs/dbraw/zinc/02/03/15/285020315.db2.gz GZZHSGBVDVILDM-VXGBXAGGSA-N 1 3 273.377 -0.423 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417570841 285023778 /nfs/dbraw/zinc/02/37/78/285023778.db2.gz SGQICAOHTGHGHV-LLVKDONJSA-N 1 3 258.366 -0.255 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419577374 207711459 /nfs/dbraw/zinc/71/14/59/207711459.db2.gz CYVCPKRDYVBXMC-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423704681 207928264 /nfs/dbraw/zinc/92/82/64/207928264.db2.gz MWGSLQDAWYKDFX-NSHDSACASA-N 1 3 284.404 -0.265 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000428194031 208081869 /nfs/dbraw/zinc/08/18/69/208081869.db2.gz JAYXNTXPYGOZAJ-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000428437673 208087746 /nfs/dbraw/zinc/08/77/46/208087746.db2.gz FUOKGTXNKCFTSJ-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000428437672 208087822 /nfs/dbraw/zinc/08/78/22/208087822.db2.gz FUOKGTXNKCFTSJ-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN1CCN(CCC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000428645995 208094773 /nfs/dbraw/zinc/09/47/73/208094773.db2.gz UXJSVHDZFVMYRD-UHFFFAOYSA-N 1 3 297.447 -0.965 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[C@H]1[NH3+] ZINC000429166133 208111161 /nfs/dbraw/zinc/11/11/61/208111161.db2.gz UGCZKEIEPHMTBY-JHJVBQTASA-N 1 3 296.415 -0.408 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430636473 208169553 /nfs/dbraw/zinc/16/95/53/208169553.db2.gz JGNZRFZRUAMROK-YPMHNXCESA-N 1 3 294.399 -0.463 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430755153 208179082 /nfs/dbraw/zinc/17/90/82/208179082.db2.gz PKJHFORUNXSEBR-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)COC2CNC2)CC1 ZINC000430764968 208179204 /nfs/dbraw/zinc/17/92/04/208179204.db2.gz HQMXSHAPTOSUDL-UHFFFAOYSA-N 1 3 284.404 -0.883 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000430751926 208179647 /nfs/dbraw/zinc/17/96/47/208179647.db2.gz DCBOCBZZCVWKKE-NSHDSACASA-N 1 3 257.378 -0.195 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)C[C@H]2CNCCO2)CC1 ZINC000430776885 208182361 /nfs/dbraw/zinc/18/23/61/208182361.db2.gz LGSGTBKVFBROSR-AWEZNQCLSA-N 1 3 298.431 -0.493 20 0 CBADHO CCC[NH+]1CCC(NC(=O)COC2CNC2)CC1 ZINC000430852831 208183863 /nfs/dbraw/zinc/18/38/63/208183863.db2.gz FUNCYDNBRLHGST-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(COC1CNC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000430813879 208185095 /nfs/dbraw/zinc/18/50/95/208185095.db2.gz GKWKLYWAUJBWSE-LBPRGKRZSA-N 1 3 267.373 -0.081 20 0 CBADHO CC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000430926147 208191730 /nfs/dbraw/zinc/19/17/30/208191730.db2.gz NJDNTHZRFCBZCO-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]([NH3+])CCSC)CC1 ZINC000431003602 208197010 /nfs/dbraw/zinc/19/70/10/208197010.db2.gz PMLWTVJMFWUTHW-GFCCVEGCSA-N 1 3 288.461 -0.180 20 0 CBADHO O=C1CNC(=O)N1CCN1CCC2(CC[NH2+]C2)CC1 ZINC000431033143 208201227 /nfs/dbraw/zinc/20/12/27/208201227.db2.gz NIQOENQCISUXLH-UHFFFAOYSA-N 1 3 266.345 -0.386 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000431031448 208202355 /nfs/dbraw/zinc/20/23/55/208202355.db2.gz ZPAFDVMANSWBIP-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431027773 208202699 /nfs/dbraw/zinc/20/26/99/208202699.db2.gz KVVFKDTYXCBGLH-ZIAGYGMSSA-N 1 3 298.431 -0.493 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000434698201 208265248 /nfs/dbraw/zinc/26/52/48/208265248.db2.gz DDFHLMAJRGVRSW-NHCYSSNCSA-N 1 3 270.377 -0.705 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000434698198 208265833 /nfs/dbraw/zinc/26/58/33/208265833.db2.gz DDFHLMAJRGVRSW-FOGDFJRCSA-N 1 3 270.377 -0.705 20 0 CBADHO C[C@@H]1NCCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H]1C ZINC000434711619 208268635 /nfs/dbraw/zinc/26/86/35/208268635.db2.gz QGMMCRWMZHYDFN-SDDRHHMPSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1CCCN(C(=O)CCOC2CNC2)[C@@H]1C[NH3+] ZINC000349026742 296368305 /nfs/dbraw/zinc/36/83/05/296368305.db2.gz KSKPWLHJHRGCGS-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCOCC1 ZINC000442765400 208366003 /nfs/dbraw/zinc/36/60/03/208366003.db2.gz JLPXHNKAQGRYDQ-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765400 208366009 /nfs/dbraw/zinc/36/60/09/208366009.db2.gz JLPXHNKAQGRYDQ-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765400 208366010 /nfs/dbraw/zinc/36/60/10/208366010.db2.gz JLPXHNKAQGRYDQ-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO O=C(NC1CNC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000574863204 335052999 /nfs/dbraw/zinc/05/29/99/335052999.db2.gz GSWUBTVBFSYDAY-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419576786 285202813 /nfs/dbraw/zinc/20/28/13/285202813.db2.gz CHEVZSIFOQPHFU-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088876 285256126 /nfs/dbraw/zinc/25/61/26/285256126.db2.gz ISRVSXMEKVDAJU-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)NC ZINC000355976447 285275720 /nfs/dbraw/zinc/27/57/20/285275720.db2.gz AODSKXUNYVSGEZ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)NC ZINC000355976447 285275723 /nfs/dbraw/zinc/27/57/23/285275723.db2.gz AODSKXUNYVSGEZ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236882192 285318192 /nfs/dbraw/zinc/31/81/92/285318192.db2.gz LMSLUGXWRHVLFJ-UONOGXRCSA-N 1 3 282.432 -0.014 20 0 CBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)CNC[C@@H]2CCCO2)C1 ZINC000575058746 335060429 /nfs/dbraw/zinc/06/04/29/335060429.db2.gz SFKOBZBLVCKOJR-WOPDTQHZSA-N 1 3 255.362 -0.001 20 0 CBADHO C[N@H+](C[C@H](O)CNC[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117399 335068301 /nfs/dbraw/zinc/06/83/01/335068301.db2.gz MPOQBOJRCHRMGN-DGCLKSJQSA-N 1 3 255.362 -0.300 20 0 CBADHO C[N@@H+](C[C@H](O)CNC[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117399 335068302 /nfs/dbraw/zinc/06/83/02/335068302.db2.gz MPOQBOJRCHRMGN-DGCLKSJQSA-N 1 3 255.362 -0.300 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887920 289368511 /nfs/dbraw/zinc/36/85/11/289368511.db2.gz JSMLUWPRCQNNQW-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662747174 413991779 /nfs/dbraw/zinc/99/17/79/413991779.db2.gz UMGFQEZKQDMJQG-GRYCIOLGSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000419410952 287348717 /nfs/dbraw/zinc/34/87/17/287348717.db2.gz PFYJULKTKWFRGK-LLVKDONJSA-N 1 3 270.377 -0.701 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000089701089 544438019 /nfs/dbraw/zinc/43/80/19/544438019.db2.gz NMLSEFGMWIRYLN-JTQLQIEISA-N 1 3 266.349 -0.597 20 0 CBADHO [NH3+]CCn1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)nn1 ZINC000089709155 544438303 /nfs/dbraw/zinc/43/83/03/544438303.db2.gz QRCVHZNHSVBLMQ-GFCCVEGCSA-N 1 3 292.387 -0.063 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000092955652 544440679 /nfs/dbraw/zinc/44/06/79/544440679.db2.gz GTEJOTJXJKMDJJ-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000227333992 544494522 /nfs/dbraw/zinc/49/45/22/544494522.db2.gz DTYIEBBCLNODOJ-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000227333992 544494525 /nfs/dbraw/zinc/49/45/25/544494525.db2.gz DTYIEBBCLNODOJ-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)COC1(C)CNC1 ZINC000161166827 544475114 /nfs/dbraw/zinc/47/51/14/544475114.db2.gz NVDYAEBOTOYRJC-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCNCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322460615 544530479 /nfs/dbraw/zinc/53/04/79/544530479.db2.gz XNLGZYHBZCBQAW-YOGCLGLASA-N 1 3 255.362 -0.036 20 0 CBADHO COCCNCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322460615 544530483 /nfs/dbraw/zinc/53/04/83/544530483.db2.gz XNLGZYHBZCBQAW-YOGCLGLASA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)[C@H](CNC(=O)CC[NH3+])N1CCN(C)CC1 ZINC000040770530 419416756 /nfs/dbraw/zinc/41/67/56/419416756.db2.gz PNXHQNYESOLOPE-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO CNCc1cn(CCN(C)CCC[NH+](C)C)nn1 ZINC000111150037 419486710 /nfs/dbraw/zinc/48/67/10/419486710.db2.gz IJEPXRVAXBBXAG-UHFFFAOYSA-N 1 3 254.382 -0.119 20 0 CBADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)N1CCOCC1 ZINC000124065415 419490379 /nfs/dbraw/zinc/49/03/79/419490379.db2.gz JKOIOXFCQYTGNU-CYBMUJFWSA-N 1 3 285.388 -0.718 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CCC([NH+](C)C)CC1 ZINC000388778736 544576678 /nfs/dbraw/zinc/57/66/78/544576678.db2.gz MUFNISUSOSEDGD-CQSZACIVSA-N 1 3 273.421 -0.049 20 0 CBADHO CN(C)C(=O)CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662147742 419552162 /nfs/dbraw/zinc/55/21/62/419552162.db2.gz FYZCSNZBGHOBRK-CYBMUJFWSA-N 1 3 269.389 -0.004 20 0 CBADHO COC[C@](C)(CCO)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662259188 419568561 /nfs/dbraw/zinc/56/85/61/419568561.db2.gz RNJCSCNMDSJBIC-NEPJUHHUSA-N 1 3 258.362 -0.116 20 0 CBADHO O=C1NCCN1[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253712 419563099 /nfs/dbraw/zinc/56/30/99/419563099.db2.gz JZTTVTJLKAPNFK-CHWSQXEVSA-N 1 3 294.399 -0.003 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)C1 ZINC000389757150 544577806 /nfs/dbraw/zinc/57/78/06/544577806.db2.gz RRNGXKRQBURMGT-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)C1 ZINC000389757150 544577808 /nfs/dbraw/zinc/57/78/08/544577808.db2.gz RRNGXKRQBURMGT-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000389757152 544577919 /nfs/dbraw/zinc/57/79/19/544577919.db2.gz RRNGXKRQBURMGT-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000389757152 544577922 /nfs/dbraw/zinc/57/79/22/544577922.db2.gz RRNGXKRQBURMGT-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO Cn1ccnc1[C@H]1CNCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662274301 419566588 /nfs/dbraw/zinc/56/65/88/419566588.db2.gz UPMPNHAJVSQHCI-QWHCGFSZSA-N 1 3 291.399 -0.113 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261645 419566757 /nfs/dbraw/zinc/56/67/57/419566757.db2.gz LNWSBMRQFDGVGA-CQSZACIVSA-N 1 3 296.415 -0.785 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CN1C1CC1 ZINC000662539654 419632516 /nfs/dbraw/zinc/63/25/16/419632516.db2.gz GWAOCUOFAWPTBB-ZJUUUORDSA-N 1 3 278.360 -0.408 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000647723897 419638225 /nfs/dbraw/zinc/63/82/25/419638225.db2.gz AAUYWHAIBDONAN-MDZLAQPJSA-N 1 3 284.404 -0.410 20 0 CBADHO CN1CCC[C@@H](N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277527 419574707 /nfs/dbraw/zinc/57/47/07/419574707.db2.gz VODMYMPWKOBIHS-QWHCGFSZSA-N 1 3 266.389 -0.413 20 0 CBADHO OCC1([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CCNCC1 ZINC000662284093 419575884 /nfs/dbraw/zinc/57/58/84/419575884.db2.gz LFJXDMSXBBDKTR-BETUJISGSA-N 1 3 269.389 -0.446 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317747 419583929 /nfs/dbraw/zinc/58/39/29/419583929.db2.gz RPCPONRKGOQLBL-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317747 419583935 /nfs/dbraw/zinc/58/39/35/419583935.db2.gz RPCPONRKGOQLBL-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)[C@@H]1CCC[NH3+] ZINC000662314105 419584655 /nfs/dbraw/zinc/58/46/55/419584655.db2.gz MPHWTTOYAGEDSJ-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)C(=O)N(C)[C@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC000662316217 419586848 /nfs/dbraw/zinc/58/68/48/419586848.db2.gz JHWOSFVDMOIDTM-ZDUSSCGKSA-N 1 3 283.420 -0.421 20 0 CBADHO C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662314323 419586898 /nfs/dbraw/zinc/58/68/98/419586898.db2.gz DVPHOPQOMHBKAK-PWSUYJOCSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662314323 419586904 /nfs/dbraw/zinc/58/69/04/419586904.db2.gz DVPHOPQOMHBKAK-PWSUYJOCSA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237937971 419588200 /nfs/dbraw/zinc/58/82/00/419588200.db2.gz BZVSVOGRNTYCCG-NWDGAFQWSA-N 1 3 282.388 -0.558 20 0 CBADHO N[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000662414226 419598460 /nfs/dbraw/zinc/59/84/60/419598460.db2.gz WUHXQXVOLFISTL-LLVKDONJSA-N 1 3 274.328 -0.333 20 0 CBADHO O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000647517590 419598363 /nfs/dbraw/zinc/59/83/63/419598363.db2.gz ZDDZHXTVRGEKEB-CHWSQXEVSA-N 1 3 285.388 -0.984 20 0 CBADHO COCCN(C)CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662439975 419607272 /nfs/dbraw/zinc/60/72/72/419607272.db2.gz UMEIJVKUMGCODP-LLVKDONJSA-N 1 3 295.387 -0.205 20 0 CBADHO [NH3+]CCn1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)nn1 ZINC000662450602 419611747 /nfs/dbraw/zinc/61/17/47/419611747.db2.gz AFIJSAABNNFSIQ-NSHDSACASA-N 1 3 278.360 -0.549 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662461831 419613900 /nfs/dbraw/zinc/61/39/00/419613900.db2.gz FFYTUKIIMXIUNO-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO COC[C@@]1(C(=O)NC2CCN(C)CC2)CC[NH2+]C1 ZINC000310846014 419618093 /nfs/dbraw/zinc/61/80/93/419618093.db2.gz NIYBGFKIYJJDJC-CYBMUJFWSA-N 1 3 255.362 -0.177 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000647640508 419625777 /nfs/dbraw/zinc/62/57/77/419625777.db2.gz OBBCSTZMYCSFMT-QWRGUYRKSA-N 1 3 268.361 -0.806 20 0 CBADHO C[C@@H]1CCCN(C(=O)COC2(C)CNC2)[C@@H]1C[NH3+] ZINC000647820899 419661199 /nfs/dbraw/zinc/66/11/99/419661199.db2.gz LEFNQLKLLFYPBI-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000662640051 419661733 /nfs/dbraw/zinc/66/17/33/419661733.db2.gz LPCZAFWPOFAKNT-KWBADKCTSA-N 1 3 255.362 -0.003 20 0 CBADHO CC1(C)CNCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000647841362 419667802 /nfs/dbraw/zinc/66/78/02/419667802.db2.gz NDUCCHOEGHJSAH-LLVKDONJSA-N 1 3 292.387 -0.146 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662662099 419672786 /nfs/dbraw/zinc/67/27/86/419672786.db2.gz ZHTRIPDFOQEYJL-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000662659983 419673169 /nfs/dbraw/zinc/67/31/69/419673169.db2.gz RLBMWJFFYGSWJW-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000662699067 419689282 /nfs/dbraw/zinc/68/92/82/419689282.db2.gz WCABJOCWIVMPRY-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000414699239 544590691 /nfs/dbraw/zinc/59/06/91/544590691.db2.gz DQMCLEUCEWUAHQ-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1([NH3+])CC1 ZINC000662710397 419693377 /nfs/dbraw/zinc/69/33/77/419693377.db2.gz IHBIHLHAOBBHBY-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC1([NH3+])CC1 ZINC000662710396 419694812 /nfs/dbraw/zinc/69/48/12/419694812.db2.gz IHBIHLHAOBBHBY-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662712125 419699611 /nfs/dbraw/zinc/69/96/11/419699611.db2.gz RHFLVSKMGCRNRA-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000662719494 419702031 /nfs/dbraw/zinc/70/20/31/419702031.db2.gz DFYIUVHJIPFPES-AVGNSLFASA-N 1 3 267.373 -0.049 20 0 CBADHO CC1(C)CN(C(=O)c2cn(CC[NH3+])nn2)CCN1 ZINC000662574373 419642735 /nfs/dbraw/zinc/64/27/35/419642735.db2.gz YVQLZWMFNUDTKA-UHFFFAOYSA-N 1 3 252.322 -0.939 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CCN1 ZINC000662770232 419713812 /nfs/dbraw/zinc/71/38/12/419713812.db2.gz NGJHSKCOYTUOSC-QJPTWQEYSA-N 1 3 255.362 -0.193 20 0 CBADHO CC(C)C[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770013 419652685 /nfs/dbraw/zinc/65/26/85/419652685.db2.gz UCHNECWHVFZOGP-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)C(N)C(F)(F)F ZINC000647777233 419654376 /nfs/dbraw/zinc/65/43/76/419654376.db2.gz GELZLLLBGUJYEW-QMMMGPOBSA-N 1 3 268.283 -0.760 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)C1CCC1 ZINC000647779045 419655376 /nfs/dbraw/zinc/65/53/76/419655376.db2.gz NIWKPYXQPNEIOG-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C1(N)CCC1 ZINC000662632074 419656986 /nfs/dbraw/zinc/65/69/86/419656986.db2.gz LSRMRAVSESZSMN-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H](N)CC(F)F ZINC000662632859 419660458 /nfs/dbraw/zinc/66/04/58/419660458.db2.gz VAXSQQZZIIJCIO-SNVBAGLBSA-N 1 3 280.363 -0.031 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H]1CNCCC1(F)F ZINC000648106183 419732126 /nfs/dbraw/zinc/73/21/26/419732126.db2.gz JUWXSDJOOAGIJX-SECBINFHSA-N 1 3 265.304 -0.417 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)C1([NH2+]C2CC2)CCC1 ZINC000662812395 419732698 /nfs/dbraw/zinc/73/26/98/419732698.db2.gz BARAIDWLEYXFRL-NSHDSACASA-N 1 3 253.346 -0.234 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000648110747 419736484 /nfs/dbraw/zinc/73/64/84/419736484.db2.gz MDQJCWRQBQAISD-BDAKNGLRSA-N 1 3 263.288 -0.583 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813548 419736951 /nfs/dbraw/zinc/73/69/51/419736951.db2.gz KMEYWUNOULSNJY-WPRPVWTQSA-N 1 3 281.278 -0.367 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813546 419737046 /nfs/dbraw/zinc/73/70/46/419737046.db2.gz KMEYWUNOULSNJY-SCZZXKLOSA-N 1 3 281.278 -0.367 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000648121953 419739636 /nfs/dbraw/zinc/73/96/36/419739636.db2.gz CIXUFSNGQFFDRC-FOGDFJRCSA-N 1 3 270.377 -0.528 20 0 CBADHO CC[C@@H]1CN(C(=O)COC2(C)CNC2)CC[C@@H]1[NH3+] ZINC000648126509 419741779 /nfs/dbraw/zinc/74/17/79/419741779.db2.gz LLZOKKMQPTTWOC-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(OCC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CNC1 ZINC000648124144 419742418 /nfs/dbraw/zinc/74/24/18/419742418.db2.gz RUSAGDMMXGYBOW-WDEREUQCSA-N 1 3 253.346 -0.425 20 0 CBADHO CN1CC[C@](N)(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124346 419742858 /nfs/dbraw/zinc/74/28/58/419742858.db2.gz XWPRABGMAWEYST-NTZNESFSSA-N 1 3 252.362 -0.770 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662940681 419786666 /nfs/dbraw/zinc/78/66/66/419786666.db2.gz OCJJIIQIXHAFAQ-UHFFFAOYSA-N 1 3 286.420 -0.019 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140124 419752947 /nfs/dbraw/zinc/75/29/47/419752947.db2.gz DWHBHLUFXWNTKV-PWSUYJOCSA-N 1 3 282.388 -0.656 20 0 CBADHO CN(C(=O)CN1CCCC[C@@H](N)C1=O)C1(C[NH3+])CCC1 ZINC000648147433 419754543 /nfs/dbraw/zinc/75/45/43/419754543.db2.gz YLXAPLSTWAQHGI-LLVKDONJSA-N 1 3 282.388 -0.334 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000648153524 419760046 /nfs/dbraw/zinc/76/00/46/419760046.db2.gz ZNMRXCFONHBAOH-UHFFFAOYSA-N 1 3 298.431 -0.539 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000430726386 544593382 /nfs/dbraw/zinc/59/33/82/544593382.db2.gz VRQFCHKJHDMKEL-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](N)CC(F)F ZINC000662872545 419760878 /nfs/dbraw/zinc/76/08/78/419760878.db2.gz CBQDFMBAJOJHDC-VIFPVBQESA-N 1 3 294.346 -0.553 20 0 CBADHO C[NH+](C)CCOCCNC(=O)[C@H]1CNCCC1(F)F ZINC000648159718 419761869 /nfs/dbraw/zinc/76/18/69/419761869.db2.gz BGMCIOMZDFPQQB-SNVBAGLBSA-N 1 3 279.331 -0.074 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@@H]2C1 ZINC000648168924 419762200 /nfs/dbraw/zinc/76/22/00/419762200.db2.gz HOVKURKJIYRRJO-NWDGAFQWSA-N 1 3 267.373 -0.083 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662913645 419770739 /nfs/dbraw/zinc/77/07/39/419770739.db2.gz RXGHKTAJYRMPJG-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662913647 419773166 /nfs/dbraw/zinc/77/31/66/419773166.db2.gz RXGHKTAJYRMPJG-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662922603 419779103 /nfs/dbraw/zinc/77/91/03/419779103.db2.gz LMXLCHLFNXMMIR-AVERBVTBSA-N 1 3 294.399 -0.735 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662930605 419782076 /nfs/dbraw/zinc/78/20/76/419782076.db2.gz SECKZTYGPWBRPN-UHFFFAOYSA-N 1 3 294.399 -0.510 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000662930838 419782804 /nfs/dbraw/zinc/78/28/04/419782804.db2.gz WKKOUTHNAMMYFU-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000662937743 419783925 /nfs/dbraw/zinc/78/39/25/419783925.db2.gz KJXXYUKGOXGKEC-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO CN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662778367 419720121 /nfs/dbraw/zinc/72/01/21/419720121.db2.gz GXABJFYMQOOMAQ-NSHDSACASA-N 1 3 280.376 -0.116 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663011339 419809098 /nfs/dbraw/zinc/80/90/98/419809098.db2.gz PQZFUDDWKJMPJL-AWEZNQCLSA-N 1 3 268.405 -0.118 20 0 CBADHO CCN1CCN(CCC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663011340 419810545 /nfs/dbraw/zinc/81/05/45/419810545.db2.gz PQZFUDDWKJMPJL-CQSZACIVSA-N 1 3 268.405 -0.118 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000649274451 419859088 /nfs/dbraw/zinc/85/90/88/419859088.db2.gz LUCWPRGHRVJWLB-UPJWGTAASA-N 1 3 268.405 -0.040 20 0 CBADHO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663218064 419829710 /nfs/dbraw/zinc/82/97/10/419829710.db2.gz YJHOCHLFCVOBLL-ZYHUDNBSSA-N 1 3 251.330 -0.813 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000649069671 419833420 /nfs/dbraw/zinc/83/34/20/419833420.db2.gz XNBUCAWOIIMEQN-JHJVBQTASA-N 1 3 296.415 -0.095 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000649069671 419833428 /nfs/dbraw/zinc/83/34/28/419833428.db2.gz XNBUCAWOIIMEQN-JHJVBQTASA-N 1 3 296.415 -0.095 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000649074529 419835150 /nfs/dbraw/zinc/83/51/50/419835150.db2.gz LDAPQYOZMUCFDJ-GFCCVEGCSA-N 1 3 296.415 -0.093 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCOC2(CNC2)C1 ZINC000663491170 419842685 /nfs/dbraw/zinc/84/26/85/419842685.db2.gz DCAPHKXRSTYGLQ-WDEREUQCSA-N 1 3 253.346 -0.295 20 0 CBADHO O=C([C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1)N1CCNCC1 ZINC000663496860 419843740 /nfs/dbraw/zinc/84/37/40/419843740.db2.gz ZZPOITZGIACLBO-FMKPAKJESA-N 1 3 292.427 -0.260 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681279 419855190 /nfs/dbraw/zinc/85/51/90/419855190.db2.gz JRIKHPRROZJRSY-CRWXNKLISA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000663681279 419855198 /nfs/dbraw/zinc/85/51/98/419855198.db2.gz JRIKHPRROZJRSY-CRWXNKLISA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000663718183 419857550 /nfs/dbraw/zinc/85/75/50/419857550.db2.gz ZMHXQTQYWBKDEK-CRWXNKLISA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000663718183 419857556 /nfs/dbraw/zinc/85/75/56/419857556.db2.gz ZMHXQTQYWBKDEK-CRWXNKLISA-N 1 3 296.415 -0.071 20 0 CBADHO CC[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]1 ZINC000662946678 419790691 /nfs/dbraw/zinc/79/06/91/419790691.db2.gz XJURFGZMJHPGMW-CYBMUJFWSA-N 1 3 279.344 -0.211 20 0 CBADHO C[N@@H+]1CC[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC000649298176 419868154 /nfs/dbraw/zinc/86/81/54/419868154.db2.gz XKEFJWFXWQOGDY-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC000649298176 419868164 /nfs/dbraw/zinc/86/81/64/419868164.db2.gz XKEFJWFXWQOGDY-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CC1(OCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CNC1 ZINC000649322897 419882076 /nfs/dbraw/zinc/88/20/76/419882076.db2.gz UYMVWDDHPMPNNL-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO CC1(OCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CNC1 ZINC000649322897 419882083 /nfs/dbraw/zinc/88/20/83/419882083.db2.gz UYMVWDDHPMPNNL-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000664219553 419889095 /nfs/dbraw/zinc/88/90/95/419889095.db2.gz RPXWAOMUQYKLFE-NDBYEHHHSA-N 1 3 284.404 -0.215 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000664219553 419889098 /nfs/dbraw/zinc/88/90/98/419889098.db2.gz RPXWAOMUQYKLFE-NDBYEHHHSA-N 1 3 284.404 -0.215 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663849838 419863524 /nfs/dbraw/zinc/86/35/24/419863524.db2.gz MXJJTCPQHZYSNC-SRVKXCTJSA-N 1 3 272.393 -0.357 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000666920290 544649376 /nfs/dbraw/zinc/64/93/76/544649376.db2.gz REJUJLOUUVLRID-HZSPNIEDSA-N 1 3 296.415 -0.069 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000666920290 544649380 /nfs/dbraw/zinc/64/93/80/544649380.db2.gz REJUJLOUUVLRID-HZSPNIEDSA-N 1 3 296.415 -0.069 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000358517042 419900824 /nfs/dbraw/zinc/90/08/24/419900824.db2.gz CCIUYQSIMXPMCT-LLVKDONJSA-N 1 3 260.382 -0.450 20 0 CBADHO CCN1CCN(CCC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000358545695 419902581 /nfs/dbraw/zinc/90/25/81/419902581.db2.gz ZPFBGMNFEFXSKD-CYBMUJFWSA-N 1 3 284.404 -0.800 20 0 CBADHO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664384012 419902867 /nfs/dbraw/zinc/90/28/67/419902867.db2.gz AEQAPUBFFYPWHC-VOAKCMCISA-N 1 3 284.404 -0.357 20 0 CBADHO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664384012 419902874 /nfs/dbraw/zinc/90/28/74/419902874.db2.gz AEQAPUBFFYPWHC-VOAKCMCISA-N 1 3 284.404 -0.357 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351271 419904838 /nfs/dbraw/zinc/90/48/38/419904838.db2.gz FTIUJDNERKUMSR-BYNSBNAKSA-N 1 3 294.443 -0.158 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350653 419905023 /nfs/dbraw/zinc/90/50/23/419905023.db2.gz WMXVNYAAUVHWBD-MCIONIFRSA-N 1 3 280.416 -0.119 20 0 CBADHO CCN1CCC(NC(=O)CN2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410848 419908944 /nfs/dbraw/zinc/90/89/44/419908944.db2.gz YIJXFNLNDHOOJR-TZMCWYRMSA-N 1 3 298.431 -0.365 20 0 CBADHO [NH3+]CCOCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000649412461 419909407 /nfs/dbraw/zinc/90/94/07/419909407.db2.gz NINSSIGCKURCEL-QWHCGFSZSA-N 1 3 257.378 -0.507 20 0 CBADHO CCN1CCC(NC(=O)CN2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000649419761 419909814 /nfs/dbraw/zinc/90/98/14/419909814.db2.gz AZUDEKXAWSRZCN-DGCLKSJQSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358679871 419911415 /nfs/dbraw/zinc/91/14/15/419911415.db2.gz AZDZMGHPRMVKBR-AAEUAGOBSA-N 1 3 272.393 -0.308 20 0 CBADHO O=C(N1CCOC2(CNC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000664725432 419913395 /nfs/dbraw/zinc/91/33/95/419913395.db2.gz AQZYXWZMEUMUDM-LLVKDONJSA-N 1 3 293.289 -0.271 20 0 CBADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000664727396 419913873 /nfs/dbraw/zinc/91/38/73/419913873.db2.gz HLTYRHYMLWBYTI-JTQLQIEISA-N 1 3 253.346 -0.425 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1O ZINC000664721877 419914891 /nfs/dbraw/zinc/91/48/91/419914891.db2.gz VKHYHVQNCRZKIY-RYUDHWBXSA-N 1 3 284.404 -0.213 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000669403091 544749120 /nfs/dbraw/zinc/74/91/20/544749120.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 1 3 269.393 -0.635 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCN(CC2CC2)C1 ZINC000669491298 544750642 /nfs/dbraw/zinc/75/06/42/544750642.db2.gz UBMOLMXIDFQNDA-AWEZNQCLSA-N 1 3 295.431 -0.325 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCN(CC2CC2)C1 ZINC000669491277 544750834 /nfs/dbraw/zinc/75/08/34/544750834.db2.gz SGTYAHPBYGOLSM-WUHRBBMRSA-N 1 3 264.373 -0.012 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H](CN)C1 ZINC000669512653 544750898 /nfs/dbraw/zinc/75/08/98/544750898.db2.gz WQGKARFDVLZHFQ-RWMBFGLXSA-N 1 3 268.405 -0.005 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNCC1(C)C ZINC000669512342 544751094 /nfs/dbraw/zinc/75/10/94/544751094.db2.gz FXAPVXOOTSQGAE-NSHDSACASA-N 1 3 270.377 -0.704 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](CN)C1 ZINC000669512559 544751126 /nfs/dbraw/zinc/75/11/26/544751126.db2.gz AFKIIJIWRHTUBC-UTUOFQBUSA-N 1 3 254.378 -0.395 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOC2(CNC2)C1 ZINC000669491258 544751824 /nfs/dbraw/zinc/75/18/24/544751824.db2.gz RXIUNHQLHXGDPN-CYBMUJFWSA-N 1 3 294.399 -0.146 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCOC2(CNC2)C1 ZINC000669491258 544751828 /nfs/dbraw/zinc/75/18/28/544751828.db2.gz RXIUNHQLHXGDPN-CYBMUJFWSA-N 1 3 294.399 -0.146 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C1CC[NH+](C)CC1 ZINC000672010703 544837810 /nfs/dbraw/zinc/83/78/10/544837810.db2.gz OOWSNIHDBXCBKI-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665295019 419937122 /nfs/dbraw/zinc/93/71/22/419937122.db2.gz ZRNZEDWNKYYWBZ-SCZZXKLOSA-N 1 3 251.334 -0.142 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]1CN)S(C)(=O)=O ZINC000665230989 419937567 /nfs/dbraw/zinc/93/75/67/419937567.db2.gz ZVPYGCBQMDKENE-GHMZBOCLSA-N 1 3 263.407 -0.015 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000359284239 419957372 /nfs/dbraw/zinc/95/73/72/419957372.db2.gz ZLYKDCDAKCBYSR-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000359284239 419957374 /nfs/dbraw/zinc/95/73/74/419957374.db2.gz ZLYKDCDAKCBYSR-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359428802 419963165 /nfs/dbraw/zinc/96/31/65/419963165.db2.gz HVIISBGSSRVHED-ZIAGYGMSSA-N 1 3 280.416 -0.308 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359428800 419964014 /nfs/dbraw/zinc/96/40/14/419964014.db2.gz HVIISBGSSRVHED-OKILXGFUSA-N 1 3 280.416 -0.308 20 0 CBADHO C[N@H+](CCNC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000364220478 420031050 /nfs/dbraw/zinc/03/10/50/420031050.db2.gz MEIAAJMKBCHZKN-UHFFFAOYSA-N 1 3 263.345 -0.121 20 0 CBADHO C[N@@H+](CCNC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000364220478 420031054 /nfs/dbraw/zinc/03/10/54/420031054.db2.gz MEIAAJMKBCHZKN-UHFFFAOYSA-N 1 3 263.345 -0.121 20 0 CBADHO CN(C)CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364231777 420033941 /nfs/dbraw/zinc/03/39/41/420033941.db2.gz QTCCOKWVSJOAGR-GFCCVEGCSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(C)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231777 420033943 /nfs/dbraw/zinc/03/39/43/420033943.db2.gz QTCCOKWVSJOAGR-GFCCVEGCSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231777 420033948 /nfs/dbraw/zinc/03/39/48/420033948.db2.gz QTCCOKWVSJOAGR-GFCCVEGCSA-N 1 3 268.405 -0.167 20 0 CBADHO CCN(CCO)CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652319266 420057737 /nfs/dbraw/zinc/05/77/37/420057737.db2.gz SEUNWEXKQSUWMU-UHFFFAOYSA-N 1 3 286.420 -0.011 20 0 CBADHO CCO[C@@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652356015 420059268 /nfs/dbraw/zinc/05/92/68/420059268.db2.gz QCNKPAKQQGWOTQ-ZIAGYGMSSA-N 1 3 298.431 -0.554 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112587 420116658 /nfs/dbraw/zinc/11/66/58/420116658.db2.gz CLKDGBLJAFYSMI-WDMOLILDSA-N 1 3 265.357 -0.425 20 0 CBADHO O=C(NC1CCN(C2CC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653107489 420116807 /nfs/dbraw/zinc/11/68/07/420116807.db2.gz LVRFAPPJJUFVFG-NHYWBVRUSA-N 1 3 279.384 -0.035 20 0 CBADHO C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000367824989 420117295 /nfs/dbraw/zinc/11/72/95/420117295.db2.gz QRDOREMOHZRZCH-GFCCVEGCSA-N 1 3 280.416 -0.167 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)NCCN1CCCCC1 ZINC000653106980 420117514 /nfs/dbraw/zinc/11/75/14/420117514.db2.gz SVGFMTRKZPTCLD-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC000653119802 420120740 /nfs/dbraw/zinc/12/07/40/420120740.db2.gz WWNLOMZPAOWVRQ-CZXHOFHRSA-N 1 3 267.373 -0.179 20 0 CBADHO C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N(C)C1CC1 ZINC000653116708 420120773 /nfs/dbraw/zinc/12/07/73/420120773.db2.gz PLPJSUFOPJTFJB-PWSUYJOCSA-N 1 3 256.394 -0.136 20 0 CBADHO CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1 ZINC000653148391 420123087 /nfs/dbraw/zinc/12/30/87/420123087.db2.gz ZIPJPRXKNKNKQQ-GWCFXTLKSA-N 1 3 253.346 -0.567 20 0 CBADHO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000368324124 420128832 /nfs/dbraw/zinc/12/88/32/420128832.db2.gz MZJZGIBJLJAGLG-GFCCVEGCSA-N 1 3 268.405 -0.167 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000653244127 420129753 /nfs/dbraw/zinc/12/97/53/420129753.db2.gz XYOLTNYUAYFSCJ-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)C[C@H]1C[NH3+] ZINC000653247801 420129886 /nfs/dbraw/zinc/12/98/86/420129886.db2.gz RQYCIAWBUSRLOO-IJLUTSLNSA-N 1 3 287.429 -0.096 20 0 CBADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000653243998 420130389 /nfs/dbraw/zinc/13/03/89/420130389.db2.gz UHAOGIOFBWVFOZ-IJLUTSLNSA-N 1 3 271.361 -0.813 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCCC1CC[NH2+]CC1 ZINC000653268670 420134773 /nfs/dbraw/zinc/13/47/73/420134773.db2.gz ZMBCHMYVXUIENR-GFCCVEGCSA-N 1 3 255.362 -0.129 20 0 CBADHO CN(C)CCN1C(=O)C[C@@H](NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000653285114 420138176 /nfs/dbraw/zinc/13/81/76/420138176.db2.gz DFNKTIYDEQQAKA-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN1C(=O)C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285114 420138180 /nfs/dbraw/zinc/13/81/80/420138180.db2.gz DFNKTIYDEQQAKA-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC[NH3+] ZINC000652693848 420071617 /nfs/dbraw/zinc/07/16/17/420071617.db2.gz GTUOCXHNCGKHES-UHFFFAOYSA-N 1 3 270.377 -0.604 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652699229 420073594 /nfs/dbraw/zinc/07/35/94/420073594.db2.gz SQYCQVIVHIBCJQ-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652731311 420080002 /nfs/dbraw/zinc/08/00/02/420080002.db2.gz HITPNZFYOBCBSA-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000652731274 420080421 /nfs/dbraw/zinc/08/04/21/420080421.db2.gz GNPXRHPPIPUIMM-ZDUSSCGKSA-N 1 3 296.415 -0.262 20 0 CBADHO C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000370772007 420186821 /nfs/dbraw/zinc/18/68/21/420186821.db2.gz JCPRZSZGSWHTDS-GXTWGEPZSA-N 1 3 286.395 -0.312 20 0 CBADHO CC[C@@H](N)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776457 420204067 /nfs/dbraw/zinc/20/40/67/420204067.db2.gz MPJAQGATCMHSNM-GHMZBOCLSA-N 1 3 271.365 -0.373 20 0 CBADHO CC[C@@H](N)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776457 420204071 /nfs/dbraw/zinc/20/40/71/420204071.db2.gz MPJAQGATCMHSNM-GHMZBOCLSA-N 1 3 271.365 -0.373 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C[C@H]2CNCCO2)C1 ZINC000388502743 420206102 /nfs/dbraw/zinc/20/61/02/420206102.db2.gz HPACNBVQCDCKHO-VXGBXAGGSA-N 1 3 291.417 -0.669 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649582 420154609 /nfs/dbraw/zinc/15/46/09/420154609.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649582 420154611 /nfs/dbraw/zinc/15/46/11/420154611.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000653663792 420156409 /nfs/dbraw/zinc/15/64/09/420156409.db2.gz KAMLTAXHXFWGKZ-WDEREUQCSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000653663792 420156413 /nfs/dbraw/zinc/15/64/13/420156413.db2.gz KAMLTAXHXFWGKZ-WDEREUQCSA-N 1 3 257.378 -0.054 20 0 CBADHO COCCN(C)C[C@@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405075882 420227324 /nfs/dbraw/zinc/22/73/24/420227324.db2.gz JPABICXJVCOPKO-CHWSQXEVSA-N 1 3 297.403 -0.316 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297239 420241401 /nfs/dbraw/zinc/24/14/01/420241401.db2.gz HNZRODMFNKKUQR-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000419582144 420245758 /nfs/dbraw/zinc/24/57/58/420245758.db2.gz JEFWNJCXPONDRB-UTUOFQBUSA-N 1 3 296.415 -0.029 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000419242831 420246220 /nfs/dbraw/zinc/24/62/20/420246220.db2.gz RQXBNLBUNASTJD-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000655419324 420247578 /nfs/dbraw/zinc/24/75/78/420247578.db2.gz SICKEUWJYVCADS-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000655449777 420249739 /nfs/dbraw/zinc/24/97/39/420249739.db2.gz OLJXQXDUBBBDIZ-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422961632 420256112 /nfs/dbraw/zinc/25/61/12/420256112.db2.gz CPJAOUSKMQCGQS-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1C(=O)CNC1=O ZINC000427854445 420267698 /nfs/dbraw/zinc/26/76/98/420267698.db2.gz AVXBAKIMWCOKGH-NXEZZACHSA-N 1 3 254.334 -0.532 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1C(=O)CNC1=O ZINC000427854445 420267699 /nfs/dbraw/zinc/26/76/99/420267699.db2.gz AVXBAKIMWCOKGH-NXEZZACHSA-N 1 3 254.334 -0.532 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963020 420283612 /nfs/dbraw/zinc/28/36/12/420283612.db2.gz FFXRFKYZWZQNCA-QJPTWQEYSA-N 1 3 270.377 -0.570 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968090 420284059 /nfs/dbraw/zinc/28/40/59/420284059.db2.gz MCDWOASKZYETJM-CHWFTXMASA-N 1 3 256.350 -0.818 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965095 420284282 /nfs/dbraw/zinc/28/42/82/420284282.db2.gz NENJSEXZVOZOCD-OUAUKWLOSA-N 1 3 256.350 -0.816 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967023 420285149 /nfs/dbraw/zinc/28/51/49/420285149.db2.gz KRMQVCHBISJGBI-MROQNXINSA-N 1 3 282.388 -0.413 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968129 420285724 /nfs/dbraw/zinc/28/57/24/420285724.db2.gz NDBKFQMQBWVTRX-GARJFASQSA-N 1 3 256.350 -0.816 20 0 CBADHO [NH3+]C[C@@H](O)CCc1cn(CCCN2CCSCC2)nn1 ZINC000656450226 420309673 /nfs/dbraw/zinc/30/96/73/420309673.db2.gz OCJOYYMJTXSRAI-ZDUSSCGKSA-N 1 3 299.444 -0.031 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019143 420291978 /nfs/dbraw/zinc/29/19/78/420291978.db2.gz AEVXZHQANGMXRE-NEPJUHHUSA-N 1 3 282.388 -0.416 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000656024768 420293129 /nfs/dbraw/zinc/29/31/29/420293129.db2.gz QFQFHGWOUUOMHR-ADEWGFFLSA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022118 420293278 /nfs/dbraw/zinc/29/32/78/420293278.db2.gz BYNNOMFIQOONJA-JHJVBQTASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656021999 420293665 /nfs/dbraw/zinc/29/36/65/420293665.db2.gz RHBDHGWGYHAGJZ-SDDRHHMPSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022701 420294186 /nfs/dbraw/zinc/29/41/86/420294186.db2.gz KLABPLRMZHZSOI-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028501 420294642 /nfs/dbraw/zinc/29/46/42/420294642.db2.gz LXEKPCQESZATBP-AVGNSLFASA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656028454 420294737 /nfs/dbraw/zinc/29/47/37/420294737.db2.gz LFUWPVUAOZWIRU-UPJWGTAASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656028452 420295118 /nfs/dbraw/zinc/29/51/18/420295118.db2.gz LFUWPVUAOZWIRU-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656028057 420295332 /nfs/dbraw/zinc/29/53/32/420295332.db2.gz IBGQHDGKBNBTEI-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](CNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000519387563 420381364 /nfs/dbraw/zinc/38/13/64/420381364.db2.gz LMKXLTWVFVUWFN-DGAVXFQQSA-N 1 3 273.421 -0.004 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000518715802 420381598 /nfs/dbraw/zinc/38/15/98/420381598.db2.gz VEEMYIPRVZDVFU-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000519654820 420385530 /nfs/dbraw/zinc/38/55/30/420385530.db2.gz VWRQQBMAUMHLLX-VXGBXAGGSA-N 1 3 253.346 -0.282 20 0 CBADHO Cn1ccnc1[C@H]1CNCCN1CCN1CC[NH2+]CC1 ZINC000516927414 420366426 /nfs/dbraw/zinc/36/64/26/420366426.db2.gz LYMHMPGKLAYLQG-CYBMUJFWSA-N 1 3 278.404 -0.728 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](NC[C@@H]2CCCCO2)C1=O ZINC000516935308 420367376 /nfs/dbraw/zinc/36/73/76/420367376.db2.gz SCMFGFWYJNOXSZ-RYUDHWBXSA-N 1 3 283.372 -0.166 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000659458819 420421592 /nfs/dbraw/zinc/42/15/92/420421592.db2.gz UKDKQTPXHQDNEL-QWRGUYRKSA-N 1 3 258.366 -0.386 20 0 CBADHO CN(C)CCOCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659483957 420423230 /nfs/dbraw/zinc/42/32/30/420423230.db2.gz DHXKCJNZLQAHLN-UHFFFAOYSA-N 1 3 260.382 -0.057 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000659358450 420414206 /nfs/dbraw/zinc/41/42/06/420414206.db2.gz QNCDEJSJMRHIHT-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000681112578 545043959 /nfs/dbraw/zinc/04/39/59/545043959.db2.gz DXMKHGILPDTUCS-LBPRGKRZSA-N 1 3 272.393 -0.306 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000681112578 545043960 /nfs/dbraw/zinc/04/39/60/545043960.db2.gz DXMKHGILPDTUCS-LBPRGKRZSA-N 1 3 272.393 -0.306 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000659504434 420424676 /nfs/dbraw/zinc/42/46/76/420424676.db2.gz CVFIFHYFQCWJPN-UHFFFAOYSA-N 1 3 299.419 -0.600 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659519531 420427520 /nfs/dbraw/zinc/42/75/20/420427520.db2.gz RPTYBYCVFKOYCZ-LBPRGKRZSA-N 1 3 299.419 -0.615 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659518232 420427696 /nfs/dbraw/zinc/42/76/96/420427696.db2.gz WWDLOQZVSCGXPC-LBPRGKRZSA-N 1 3 299.419 -0.600 20 0 CBADHO CCCN1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000659546472 420431693 /nfs/dbraw/zinc/43/16/93/420431693.db2.gz CHLGBDFGNMTJMA-WYUUTHIRSA-N 1 3 252.362 -0.012 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cn(C)nn1 ZINC000679972863 545034941 /nfs/dbraw/zinc/03/49/41/545034941.db2.gz IRYQHCIZTACBRH-UHFFFAOYSA-N 1 3 297.407 -0.550 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834143 545040703 /nfs/dbraw/zinc/04/07/03/545040703.db2.gz BJKJNZPJAMNHAZ-UKRRQHHQSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834143 545040704 /nfs/dbraw/zinc/04/07/04/545040704.db2.gz BJKJNZPJAMNHAZ-UKRRQHHQSA-N 1 3 296.415 -0.164 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000659753945 420467962 /nfs/dbraw/zinc/46/79/62/420467962.db2.gz OHVGFYCMAAKPSL-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000659753979 420468013 /nfs/dbraw/zinc/46/80/13/420468013.db2.gz CADWBCFTWJQWAR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000659754287 420468348 /nfs/dbraw/zinc/46/83/48/420468348.db2.gz DFQFLOVGUYQTPZ-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000659754321 420468402 /nfs/dbraw/zinc/46/84/02/420468402.db2.gz DUYKXEORLKTDNG-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000659758028 420468877 /nfs/dbraw/zinc/46/88/77/420468877.db2.gz XFVPZUROGADKLP-GFCCVEGCSA-N 1 3 286.420 -0.243 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000659757506 420468901 /nfs/dbraw/zinc/46/89/01/420468901.db2.gz YXAOWHIHNYFUBQ-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000659757509 420469314 /nfs/dbraw/zinc/46/93/14/420469314.db2.gz YXAOWHIHNYFUBQ-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO O=C(NC[C@@H]1CCCCN1CCO)NCC12CC(C1)C[NH2+]2 ZINC000659613846 420437767 /nfs/dbraw/zinc/43/77/67/420437767.db2.gz MYCWJXUAGBQFSN-OWYJLGKBSA-N 1 3 296.415 -0.116 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659615161 420438963 /nfs/dbraw/zinc/43/89/63/420438963.db2.gz HUXFKVUMLUDKHV-GDKBPFBDSA-N 1 3 268.361 -0.896 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCCNc1ccncc1 ZINC000659635210 420439855 /nfs/dbraw/zinc/43/98/55/420439855.db2.gz BIJSSUCQURDJAI-SNVBAGLBSA-N 1 3 251.334 -0.178 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659636248 420442354 /nfs/dbraw/zinc/44/23/54/420442354.db2.gz OHVUOWUDKAZLPP-NSHDSACASA-N 1 3 287.408 -0.744 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000659643271 420443068 /nfs/dbraw/zinc/44/30/68/420443068.db2.gz PTUQGCNHGKIWGR-NEPJUHHUSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000659674561 420446582 /nfs/dbraw/zinc/44/65/82/420446582.db2.gz UEQRKDZQRQHVSY-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659679564 420447307 /nfs/dbraw/zinc/44/73/07/420447307.db2.gz ZLLLFECZEJJACO-NGWKBDRKSA-N 1 3 294.399 -0.547 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000659677523 420447593 /nfs/dbraw/zinc/44/75/93/420447593.db2.gz DMLJJLTZWBRJII-GARJFASQSA-N 1 3 270.377 -0.691 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659685805 420448761 /nfs/dbraw/zinc/44/87/61/420448761.db2.gz PHYYOABTHRQDMG-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCC1 ZINC000659695096 420450857 /nfs/dbraw/zinc/45/08/57/420450857.db2.gz VHOZIHWPWUPXNH-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659699954 420451594 /nfs/dbraw/zinc/45/15/94/420451594.db2.gz XXZSFLBFRYCIEX-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000659701817 420451895 /nfs/dbraw/zinc/45/18/95/420451895.db2.gz JUPGWOXHVVEIAE-GHMZBOCLSA-N 1 3 282.388 -0.523 20 0 CBADHO C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1=CCN(C)CC1 ZINC000659701424 420452134 /nfs/dbraw/zinc/45/21/34/420452134.db2.gz DRBVEDPPNHHAMH-NSHDSACASA-N 1 3 296.415 -0.051 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698186 420452188 /nfs/dbraw/zinc/45/21/88/420452188.db2.gz AGFDMGRNGPUWSW-XIKARTHZSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000659702556 420453395 /nfs/dbraw/zinc/45/33/95/420453395.db2.gz PVFYUKSFLNTGCR-NXEZZACHSA-N 1 3 270.377 -0.691 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709570 420454423 /nfs/dbraw/zinc/45/44/23/420454423.db2.gz JEWTXDXCOPENKQ-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000659710529 420455374 /nfs/dbraw/zinc/45/53/74/420455374.db2.gz RTHCRAGCIXEFAZ-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(CCC)C1 ZINC000659712119 420455997 /nfs/dbraw/zinc/45/59/97/420455997.db2.gz IAVZUCZCYZPFAP-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659726261 420460239 /nfs/dbraw/zinc/46/02/39/420460239.db2.gz IQABSBFBGSKMLD-YNEHKIRRSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000659738861 420463441 /nfs/dbraw/zinc/46/34/41/420463441.db2.gz JGSBJANWGPKUDG-IUODEOHRSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000659738278 420463493 /nfs/dbraw/zinc/46/34/93/420463493.db2.gz DGKIDVFMPMNNHF-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000659738157 420463553 /nfs/dbraw/zinc/46/35/53/420463553.db2.gz AUBZCPZFUVHQLZ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738508 420463598 /nfs/dbraw/zinc/46/35/98/420463598.db2.gz FGAMJZCUDBYXJR-AVERBVTBSA-N 1 3 294.399 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000659739304 420464534 /nfs/dbraw/zinc/46/45/34/420464534.db2.gz QMSGXKYVNMDCIF-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659739238 420464553 /nfs/dbraw/zinc/46/45/53/420464553.db2.gz OKRJTRNHIMGKDB-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659739046 420464642 /nfs/dbraw/zinc/46/46/42/420464642.db2.gz MAAIDTMFSGNZQF-XQQFMLRXSA-N 1 3 294.399 -0.735 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739301 420465089 /nfs/dbraw/zinc/46/50/89/420465089.db2.gz QLBPHKAIAZTFRO-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000659739305 420465304 /nfs/dbraw/zinc/46/53/04/420465304.db2.gz QMSGXKYVNMDCIF-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000659749507 420466379 /nfs/dbraw/zinc/46/63/79/420466379.db2.gz IFQWVFJXTAFNCN-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000659750242 420466977 /nfs/dbraw/zinc/46/69/77/420466977.db2.gz FNSYVYAUILYXKU-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517338036 260148514 /nfs/dbraw/zinc/14/85/14/260148514.db2.gz BEYFXGUMXGYHNI-MRVWCRGKSA-N 1 3 295.431 -0.328 20 0 CBADHO [NH3+][C@@H]1C[C@H]2CN(CC[C@H]3CCOC3)CCN2C1=O ZINC000521646512 260198731 /nfs/dbraw/zinc/19/87/31/260198731.db2.gz VYAKQBQTBKGTLG-SDDRHHMPSA-N 1 3 253.346 -0.343 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000518941569 265234766 /nfs/dbraw/zinc/23/47/66/265234766.db2.gz KJQHLRZFEZDMOF-MNOVXSKESA-N 1 3 255.366 -0.977 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH+](C)C)CC1=O ZINC000080976251 269565682 /nfs/dbraw/zinc/56/56/82/269565682.db2.gz LLNQFSRIMQZDAA-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262073054 276322164 /nfs/dbraw/zinc/32/21/64/276322164.db2.gz PLTMKMKGZWLDRM-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420066186 276779518 /nfs/dbraw/zinc/77/95/18/276779518.db2.gz QSKCUMCUJXPVHR-VXGBXAGGSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000262672942 287926329 /nfs/dbraw/zinc/92/63/29/287926329.db2.gz PLIDHKGTOREKEZ-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO CNC(=O)C[C@@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175640 277001323 /nfs/dbraw/zinc/00/13/23/277001323.db2.gz QLBJJBCQLPLBCO-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)C[C@@H](C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361175640 277001324 /nfs/dbraw/zinc/00/13/24/277001324.db2.gz QLBJJBCQLPLBCO-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698140 277268889 /nfs/dbraw/zinc/26/88/89/277268889.db2.gz SBSODBUPJPYDRC-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000365105205 277301244 /nfs/dbraw/zinc/30/12/44/277301244.db2.gz NKEJSYXJZBKSRJ-FTYKPCCVSA-N 1 3 267.373 -0.038 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262041247 277903977 /nfs/dbraw/zinc/90/39/77/277903977.db2.gz HQDHMZXNPGVPQU-WZRBSPASSA-N 1 3 284.404 -0.280 20 0 CBADHO C[C@@H]1NCCN(C(=O)NCCN2CC[NH2+]CC2)[C@H]1C ZINC000333839613 278049857 /nfs/dbraw/zinc/04/98/57/278049857.db2.gz NZXOEAVLHDOXEH-RYUDHWBXSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@@]1(C(N)=O)CC[N@@H+](CCCN2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120965 /nfs/dbraw/zinc/12/09/65/278120965.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 1 3 296.415 -0.229 20 0 CBADHO C[C@@]1(C(N)=O)CC[N@H+](CCCN2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120967 /nfs/dbraw/zinc/12/09/67/278120967.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 1 3 296.415 -0.229 20 0 CBADHO C[C@@]1(C(N)=O)CCN(CCC[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120968 /nfs/dbraw/zinc/12/09/68/278120968.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 1 3 296.415 -0.229 20 0 CBADHO C[C@@]1(C(N)=O)CCN(CCC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565847 278120969 /nfs/dbraw/zinc/12/09/69/278120969.db2.gz QQKXXULVEQLPSU-GASCZTMLSA-N 1 3 296.415 -0.229 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424330404 278142692 /nfs/dbraw/zinc/14/26/92/278142692.db2.gz HUOYAYYHDCAZKA-MGPQQGTHSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000419591546 278196407 /nfs/dbraw/zinc/19/64/07/278196407.db2.gz RHNVJQGHGIJQJS-GHMZBOCLSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2COC[C@@H]2O)CC1 ZINC000361293835 278289387 /nfs/dbraw/zinc/28/93/87/278289387.db2.gz AQLJPSWFSMFTMK-UBHSHLNASA-N 1 3 272.389 -0.229 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343616067 278994160 /nfs/dbraw/zinc/99/41/60/278994160.db2.gz KAOAVXFIXFXDME-QWHCGFSZSA-N 1 3 268.405 -0.134 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000419526552 279189583 /nfs/dbraw/zinc/18/95/83/279189583.db2.gz UBXROEAKFXQKNI-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419587176 279268239 /nfs/dbraw/zinc/26/82/39/279268239.db2.gz NMKOPTHZAWGCKI-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419586302 279268342 /nfs/dbraw/zinc/26/83/42/279268342.db2.gz MTCCJHYHFBRRMK-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419593076 279279197 /nfs/dbraw/zinc/27/91/97/279279197.db2.gz SNFPWNKUGGDGOI-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333637600 279285451 /nfs/dbraw/zinc/28/54/51/279285451.db2.gz HPLATQGEEIRBCO-UHFFFAOYSA-N 1 3 283.420 -0.371 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357932603 288122001 /nfs/dbraw/zinc/12/20/01/288122001.db2.gz QKMZOZNJYHMRAW-YJQGPUDQSA-N 1 3 253.346 -0.692 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419980818 279331749 /nfs/dbraw/zinc/33/17/49/279331749.db2.gz RJZFNJBXEATJNW-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912765 288131550 /nfs/dbraw/zinc/13/15/50/288131550.db2.gz QKMZOZNJYHMRAW-SASUGWTJSA-N 1 3 253.346 -0.692 20 0 CBADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180269 /nfs/dbraw/zinc/18/02/69/288180269.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180272 /nfs/dbraw/zinc/18/02/72/288180272.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180273 /nfs/dbraw/zinc/18/02/73/288180273.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351774909 288180275 /nfs/dbraw/zinc/18/02/75/288180275.db2.gz PHAYFZWVNWIYNU-XJFOESAGSA-N 1 3 272.389 -0.372 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422534785 280273875 /nfs/dbraw/zinc/27/38/75/280273875.db2.gz BNVBCKNYHAQBSH-BYNQJWBRSA-N 1 3 298.431 -0.082 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[NH3+])CC1 ZINC000418315902 281820700 /nfs/dbraw/zinc/82/07/00/281820700.db2.gz WBIUXXOJNYKZQQ-LBPRGKRZSA-N 1 3 272.393 -0.273 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000430776886 289067467 /nfs/dbraw/zinc/06/74/67/289067467.db2.gz LGSGTBKVFBROSR-CQSZACIVSA-N 1 3 298.431 -0.493 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)CC1=O ZINC000428532394 289158406 /nfs/dbraw/zinc/15/84/06/289158406.db2.gz LWDYNDYCKYMMHJ-QWHCGFSZSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC(C)(C)C[NH3+])CC1=O ZINC000262520744 289158788 /nfs/dbraw/zinc/15/87/88/289158788.db2.gz WGUNIDWFZMMVRE-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420080968 289290571 /nfs/dbraw/zinc/29/05/71/289290571.db2.gz SKJGCHSBQBPUOJ-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000357938306 289360013 /nfs/dbraw/zinc/36/00/13/289360013.db2.gz XVNSRKWZIMMUCS-KKUMJFAQSA-N 1 3 291.395 -0.002 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000516316014 289368525 /nfs/dbraw/zinc/36/85/25/289368525.db2.gz YHSOBOAUIXWUOA-QWRGUYRKSA-N 1 3 268.361 -0.983 20 0 CBADHO CNC(=O)NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431024006 290489134 /nfs/dbraw/zinc/48/91/34/290489134.db2.gz JVNTWGZYSXWGLQ-SNVBAGLBSA-N 1 3 268.361 -0.094 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)[NH3+] ZINC000581546459 336099716 /nfs/dbraw/zinc/09/97/16/336099716.db2.gz QGQYUNHMQYVPFB-UHFFFAOYSA-N 1 3 256.394 -0.180 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@H]2N)cn1 ZINC000333606400 294281152 /nfs/dbraw/zinc/28/11/52/294281152.db2.gz REVWTIFQQYWPIW-RWMBFGLXSA-N 1 3 292.387 -0.392 20 0 CBADHO NS(=O)(=O)[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000261648189 295285888 /nfs/dbraw/zinc/28/58/88/295285888.db2.gz ATUZSNMSACHPDO-LLVKDONJSA-N 1 3 261.391 -0.261 20 0 CBADHO CC(C(=O)NC[C@@]1(C)CCC[NH2+]C1)S(C)(=O)=O ZINC000125643039 298160829 /nfs/dbraw/zinc/16/08/29/298160829.db2.gz BJAJYYBPMHCYIQ-KOLCDFICSA-N 1 3 262.375 -0.075 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419018910 298538251 /nfs/dbraw/zinc/53/82/51/298538251.db2.gz CVUSIUXPAPZSSG-FDYHWXHSSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@H]1CCN[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817642 300004705 /nfs/dbraw/zinc/00/47/05/300004705.db2.gz VFATUMFIHASLET-STQMWFEESA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000417841852 300819381 /nfs/dbraw/zinc/81/93/81/300819381.db2.gz PGHOVNXSRSHAFS-WZRBSPASSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCC1 ZINC000515814665 303357148 /nfs/dbraw/zinc/35/71/48/303357148.db2.gz PWUBFDSIKCVXBL-GFCCVEGCSA-N 1 3 294.399 -0.319 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419836516 303378763 /nfs/dbraw/zinc/37/87/63/303378763.db2.gz XXHRFDPRDAIZAG-GFCCVEGCSA-N 1 3 282.388 -0.462 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567817160 327901837 /nfs/dbraw/zinc/90/18/37/327901837.db2.gz UUTWASZUDMCZLK-QWRGUYRKSA-N 1 3 253.346 -0.567 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000563093047 327922261 /nfs/dbraw/zinc/92/22/61/327922261.db2.gz XNVJFYQGOUYLIE-AAEUAGOBSA-N 1 3 269.389 -0.053 20 0 CBADHO [NH3+]CCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000563269708 328005543 /nfs/dbraw/zinc/00/55/43/328005543.db2.gz OSWWEWNARKITIT-LBPRGKRZSA-N 1 3 270.377 -0.255 20 0 CBADHO [NH3+]CCC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000563269707 328005566 /nfs/dbraw/zinc/00/55/66/328005566.db2.gz OSWWEWNARKITIT-GFCCVEGCSA-N 1 3 270.377 -0.255 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563620809 328077626 /nfs/dbraw/zinc/07/76/26/328077626.db2.gz NEHRTVDCWJNEKH-DGCLKSJQSA-N 1 3 253.346 -0.423 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563620808 328077670 /nfs/dbraw/zinc/07/76/70/328077670.db2.gz NEHRTVDCWJNEKH-AAEUAGOBSA-N 1 3 253.346 -0.423 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000571288022 328098311 /nfs/dbraw/zinc/09/83/11/328098311.db2.gz YQNWBHUYRQVJBM-QJPTWQEYSA-N 1 3 292.387 -0.148 20 0 CBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000571325269 328106045 /nfs/dbraw/zinc/10/60/45/328106045.db2.gz PCRCDFVKUKXRDV-KBPBESRZSA-N 1 3 299.415 -0.116 20 0 CBADHO COCCN1CCC(NC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000571320710 328105122 /nfs/dbraw/zinc/10/51/22/328105122.db2.gz NXFIPDMNDSEIBG-OAHLLOKOSA-N 1 3 299.415 -0.161 20 0 CBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000571325271 328106006 /nfs/dbraw/zinc/10/60/06/328106006.db2.gz PCRCDFVKUKXRDV-UONOGXRCSA-N 1 3 299.415 -0.116 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000571396131 328118499 /nfs/dbraw/zinc/11/84/99/328118499.db2.gz GLOYMDPYBSDLRU-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)N2CCCC2)C1 ZINC000161068093 328124127 /nfs/dbraw/zinc/12/41/27/328124127.db2.gz SBCLZFHJXJIPJZ-SDDRHHMPSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C2CCOCC2)CCO1 ZINC000571523317 328131544 /nfs/dbraw/zinc/13/15/44/328131544.db2.gz VBDXWVURXUUGBN-ZIAGYGMSSA-N 1 3 297.399 -0.184 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000582545090 329104872 /nfs/dbraw/zinc/10/48/72/329104872.db2.gz LSTJBQRKIKBRHB-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490204 328304134 /nfs/dbraw/zinc/30/41/34/328304134.db2.gz DAAJNVYZNPMYNZ-PHIMTYICSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000557382064 327003525 /nfs/dbraw/zinc/00/35/25/327003525.db2.gz RWNDIWFOPDLHLE-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CO[C@H](CN)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000576104319 327017012 /nfs/dbraw/zinc/01/70/12/327017012.db2.gz BEDAPRUEPPRPRU-ZIAGYGMSSA-N 1 3 298.431 -0.411 20 0 CBADHO CO[C@H](CN)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000576104319 327017013 /nfs/dbraw/zinc/01/70/13/327017013.db2.gz BEDAPRUEPPRPRU-ZIAGYGMSSA-N 1 3 298.431 -0.411 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000568877021 327021826 /nfs/dbraw/zinc/02/18/26/327021826.db2.gz MOLHPCAJKCFOTM-RYUDHWBXSA-N 1 3 283.372 -0.036 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1 ZINC000584181225 327060890 /nfs/dbraw/zinc/06/08/90/327060890.db2.gz RYPLNNOLDXLIME-QWHCGFSZSA-N 1 3 287.404 -0.664 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1 ZINC000584181225 327060892 /nfs/dbraw/zinc/06/08/92/327060892.db2.gz RYPLNNOLDXLIME-QWHCGFSZSA-N 1 3 287.404 -0.664 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569240040 327070148 /nfs/dbraw/zinc/07/01/48/327070148.db2.gz GIHKBTINJIYRLC-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CCN1C ZINC000558207334 327078618 /nfs/dbraw/zinc/07/86/18/327078618.db2.gz BIUCICWZPKVIHH-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000564450568 327099409 /nfs/dbraw/zinc/09/94/09/327099409.db2.gz KELXESQTEMAFIQ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000569344475 327102568 /nfs/dbraw/zinc/10/25/68/327102568.db2.gz NKEJSYXJZBKSRJ-SQNXGDPESA-N 1 3 267.373 -0.038 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H](C)CN1 ZINC000564931328 327160560 /nfs/dbraw/zinc/16/05/60/327160560.db2.gz GAYBFRAGGQZHEB-MNOVXSKESA-N 1 3 280.376 -0.161 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569456446 327179771 /nfs/dbraw/zinc/17/97/71/327179771.db2.gz ZJAXLECODBMGNK-AAEUAGOBSA-N 1 3 266.389 -0.367 20 0 CBADHO O=C(CCN1CC[C@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC000569455940 327180273 /nfs/dbraw/zinc/18/02/73/327180273.db2.gz FDJHOVOXPQTLCG-AWEZNQCLSA-N 1 3 266.389 -0.506 20 0 CBADHO CSCC[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000569482703 327184175 /nfs/dbraw/zinc/18/41/75/327184175.db2.gz QXFBLXREOROIFS-LLVKDONJSA-N 1 3 274.434 -0.522 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000569481685 327184332 /nfs/dbraw/zinc/18/43/32/327184332.db2.gz OEWGXNJTYATQPQ-CYBMUJFWSA-N 1 3 270.421 -0.062 20 0 CBADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000564937699 327196044 /nfs/dbraw/zinc/19/60/44/327196044.db2.gz MPAMJTVPEPXDOH-CYBMUJFWSA-N 1 3 278.356 -0.067 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC[C@@H](O)CN1CCN(C)CC1 ZINC000584286632 327218438 /nfs/dbraw/zinc/21/84/38/327218438.db2.gz AHMORNLHKDLWMG-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC)[C@H](C)C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000584286632 327218440 /nfs/dbraw/zinc/21/84/40/327218440.db2.gz AHMORNLHKDLWMG-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COC3CNC3)C[C@@H]21 ZINC000564950497 327256249 /nfs/dbraw/zinc/25/62/49/327256249.db2.gz FIEQQWAVOFIRPB-ZMLRMANQSA-N 1 3 253.346 -0.439 20 0 CBADHO C[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)C[C@H](C)[NH2+]1 ZINC000564969597 327290225 /nfs/dbraw/zinc/29/02/25/327290225.db2.gz VEHYTKCJDCSYDA-FRRDWIJNSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000560635206 327332946 /nfs/dbraw/zinc/33/29/46/327332946.db2.gz CLOOCTQDTIOJQP-CYDGBPFRSA-N 1 3 269.389 -0.150 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000560635206 327332947 /nfs/dbraw/zinc/33/29/47/327332947.db2.gz CLOOCTQDTIOJQP-CYDGBPFRSA-N 1 3 269.389 -0.150 20 0 CBADHO C[C@]1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC[NH2+]C1 ZINC000574636203 327358966 /nfs/dbraw/zinc/35/89/66/327358966.db2.gz LMHOHHWBOJDPEA-LBPRGKRZSA-N 1 3 279.348 -0.848 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000561239563 327378259 /nfs/dbraw/zinc/37/82/59/327378259.db2.gz XCNFYNKGJJNNGP-UHFFFAOYSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565040360 327409105 /nfs/dbraw/zinc/40/91/05/327409105.db2.gz RFUZRXMHWDNJIN-UPJWGTAASA-N 1 3 268.405 -0.134 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566984604 327514968 /nfs/dbraw/zinc/51/49/68/327514968.db2.gz MYIJZEGZOZHICR-HBNTYKKESA-N 1 3 280.372 -0.855 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569912954 327555527 /nfs/dbraw/zinc/55/55/27/327555527.db2.gz HWVRRXLCJCXACZ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570398196 327588739 /nfs/dbraw/zinc/58/87/39/327588739.db2.gz QYTBEDXCZVTPAG-LOWVWBTDSA-N 1 3 282.388 -0.704 20 0 CBADHO O=C(COC1CNC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584347718 328628281 /nfs/dbraw/zinc/62/82/81/328628281.db2.gz GDOBYWZFELCGER-ZDUSSCGKSA-N 1 3 267.373 -0.035 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582252999 328851032 /nfs/dbraw/zinc/85/10/32/328851032.db2.gz YQXKOVDHARHQKQ-NWDGAFQWSA-N 1 3 292.383 -0.615 20 0 CBADHO C[C@@H](CNCCC(=O)NC(N)=O)C[NH+]1CCCC1 ZINC000582541243 329108877 /nfs/dbraw/zinc/10/88/77/329108877.db2.gz DYACIUUDRPTANK-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO C[C@@H](C[NH2+]CCC(=O)NC(N)=O)CN1CCCC1 ZINC000582541243 329108879 /nfs/dbraw/zinc/10/88/79/329108879.db2.gz DYACIUUDRPTANK-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO C[NH2+]CCCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000582784910 329194121 /nfs/dbraw/zinc/19/41/21/329194121.db2.gz WRYUTGIZYLXHFX-UHFFFAOYSA-N 1 3 267.337 -0.848 20 0 CBADHO CN1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000397488699 329356623 /nfs/dbraw/zinc/35/66/23/329356623.db2.gz GCPITMWKDAPRJH-NSHDSACASA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CCC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000397488699 329356625 /nfs/dbraw/zinc/35/66/25/329356625.db2.gz GCPITMWKDAPRJH-NSHDSACASA-N 1 3 255.362 -0.489 20 0 CBADHO CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583764174 329476178 /nfs/dbraw/zinc/47/61/78/329476178.db2.gz ZHGXCUCTXTZNCM-SDDRHHMPSA-N 1 3 254.378 -0.396 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000580432366 330131880 /nfs/dbraw/zinc/13/18/80/330131880.db2.gz CHXSHPIWUHGVFQ-WPRPVWTQSA-N 1 3 292.330 -0.801 20 0 CBADHO CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580450695 330138042 /nfs/dbraw/zinc/13/80/42/330138042.db2.gz OJNPWANTPRDSNX-MNOVXSKESA-N 1 3 268.361 -0.855 20 0 CBADHO CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580450696 330138190 /nfs/dbraw/zinc/13/81/90/330138190.db2.gz OJNPWANTPRDSNX-QWRGUYRKSA-N 1 3 268.361 -0.855 20 0 CBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CNC1)CC(C)C ZINC000580533491 335107796 /nfs/dbraw/zinc/10/77/96/335107796.db2.gz QQDXQJRAZVIPNA-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO NC1(C(=O)NCCC[NH+]2CCC(O)CC2)CCC1 ZINC000566192906 334634955 /nfs/dbraw/zinc/63/49/55/334634955.db2.gz FGVNODGJDASNNY-UHFFFAOYSA-N 1 3 255.362 -0.169 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000575869638 335126521 /nfs/dbraw/zinc/12/65/21/335126521.db2.gz FGTRKUGRIVIEJY-YPMHNXCESA-N 1 3 284.404 -0.266 20 0 CBADHO NC1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000576225058 335173396 /nfs/dbraw/zinc/17/33/96/335173396.db2.gz RZBQPOMCFCQUQI-LLVKDONJSA-N 1 3 252.362 -0.626 20 0 CBADHO NC1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000576225059 335173602 /nfs/dbraw/zinc/17/36/02/335173602.db2.gz RZBQPOMCFCQUQI-NSHDSACASA-N 1 3 252.362 -0.626 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC[C@H](O)CN1CCN(C)CC1 ZINC000576220065 335172479 /nfs/dbraw/zinc/17/24/79/335172479.db2.gz BRYZDSNVPWBRIL-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC)C[C@@H](C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000576220065 335172480 /nfs/dbraw/zinc/17/24/80/335172480.db2.gz BRYZDSNVPWBRIL-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N(C)C1CC1 ZINC000553370513 334381197 /nfs/dbraw/zinc/38/11/97/334381197.db2.gz YLZAISYYLMBHQD-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1CCN1 ZINC000564837550 334523285 /nfs/dbraw/zinc/52/32/85/334523285.db2.gz VAIIQHRHCMYTKW-LLVKDONJSA-N 1 3 261.329 -0.208 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000565000052 334533817 /nfs/dbraw/zinc/53/38/17/334533817.db2.gz IOZPEJWHQVCAIM-AWEZNQCLSA-N 1 3 292.383 -0.139 20 0 CBADHO CCCN(C(=O)[C@H](N)CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC000566237184 334637620 /nfs/dbraw/zinc/63/76/20/334637620.db2.gz MJTDNSNZQCCVSQ-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566236621 334637777 /nfs/dbraw/zinc/63/77/77/334637777.db2.gz HQHGRAZXGBPEEN-QWRGUYRKSA-N 1 3 272.393 -0.314 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000566511843 334653811 /nfs/dbraw/zinc/65/38/11/334653811.db2.gz CBLDVXSKMRGESC-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CNCCC1(F)F ZINC000567845316 334767514 /nfs/dbraw/zinc/76/75/14/334767514.db2.gz SQVSXAVMMHNKJD-JGVFFNPUSA-N 1 3 251.277 -0.536 20 0 CBADHO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN2CCC1CC2 ZINC000567822727 334764642 /nfs/dbraw/zinc/76/46/42/334764642.db2.gz OGMCFTUYHKUKIJ-GFCCVEGCSA-N 1 3 253.346 -0.329 20 0 CBADHO CC1(CNC(=O)C[C@@H]2CNCCO2)CC[NH2+]CC1 ZINC000567839076 334766833 /nfs/dbraw/zinc/76/68/33/334766833.db2.gz VMPJDGGVCWFOLB-LLVKDONJSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(CCOC1CNC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569102828 334855249 /nfs/dbraw/zinc/85/52/49/334855249.db2.gz WPVFZVCXFMRXGN-QWHCGFSZSA-N 1 3 267.373 -0.131 20 0 CBADHO CCS(=O)(=O)NCCC[N@H+](C)C1CCNCC1 ZINC000576346769 335192518 /nfs/dbraw/zinc/19/25/18/335192518.db2.gz YWJMXNXDLBPAHY-UHFFFAOYSA-N 1 3 263.407 0.000 20 0 CBADHO CCS(=O)(=O)NCCC[N@@H+](C)C1CCNCC1 ZINC000576346769 335192519 /nfs/dbraw/zinc/19/25/19/335192519.db2.gz YWJMXNXDLBPAHY-UHFFFAOYSA-N 1 3 263.407 0.000 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576359434 335194494 /nfs/dbraw/zinc/19/44/94/335194494.db2.gz AZUGUBBFICACJQ-RWMBFGLXSA-N 1 3 294.399 -0.369 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576359434 335194495 /nfs/dbraw/zinc/19/44/95/335194495.db2.gz AZUGUBBFICACJQ-RWMBFGLXSA-N 1 3 294.399 -0.369 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CC([NH3+])C1 ZINC000576827047 335252920 /nfs/dbraw/zinc/25/29/20/335252920.db2.gz YAWCKZNMWRNHKH-AMUVOQDHSA-N 1 3 256.350 -0.966 20 0 CBADHO NC(C(=O)NCCCN1CC[NH2+]CC1)C(F)(F)F ZINC000580562642 335278924 /nfs/dbraw/zinc/27/89/24/335278924.db2.gz VACVKTJSZRUWOQ-QMMMGPOBSA-N 1 3 268.283 -0.713 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000577374983 335344343 /nfs/dbraw/zinc/34/43/43/335344343.db2.gz NYWUSSAQCQDDHW-LLVKDONJSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000577508506 335362132 /nfs/dbraw/zinc/36/21/32/335362132.db2.gz JEMLOFHIZWDFDB-OLZOCXBDSA-N 1 3 283.420 -0.327 20 0 CBADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000577509812 335362613 /nfs/dbraw/zinc/36/26/13/335362613.db2.gz UDBBQGRPVCLKCV-NWDGAFQWSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000577509812 335362614 /nfs/dbraw/zinc/36/26/14/335362614.db2.gz UDBBQGRPVCLKCV-NWDGAFQWSA-N 1 3 295.387 -0.966 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577727955 335393039 /nfs/dbraw/zinc/39/30/39/335393039.db2.gz JXTWAUGAEFCDHQ-ZJUUUORDSA-N 1 3 257.334 -0.475 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000577740971 335395181 /nfs/dbraw/zinc/39/51/81/335395181.db2.gz LOUMVFYLQIESON-IJLUTSLNSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000577740971 335395183 /nfs/dbraw/zinc/39/51/83/335395183.db2.gz LOUMVFYLQIESON-IJLUTSLNSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000578352322 335617899 /nfs/dbraw/zinc/61/78/99/335617899.db2.gz SJVJDNMYVFAEQL-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551984 335649072 /nfs/dbraw/zinc/64/90/72/335649072.db2.gz VCSSHZDDGUWGMN-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CNC3)C2)CC1 ZINC000578972223 335694254 /nfs/dbraw/zinc/69/42/54/335694254.db2.gz VVVCCBMBXVBVTN-GFCCVEGCSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000578988904 335696416 /nfs/dbraw/zinc/69/64/16/335696416.db2.gz REWDJEXUWMNMFG-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000380604504 336004138 /nfs/dbraw/zinc/00/41/38/336004138.db2.gz FOGFWZLKLDNICT-OAHLLOKOSA-N 1 3 285.432 -0.047 20 0 CBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000380604504 336004140 /nfs/dbraw/zinc/00/41/40/336004140.db2.gz FOGFWZLKLDNICT-OAHLLOKOSA-N 1 3 285.432 -0.047 20 0 CBADHO CN(C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000581259699 336033530 /nfs/dbraw/zinc/03/35/30/336033530.db2.gz RKMYMVCYLAMCNR-UHFFFAOYSA-N 1 3 253.350 -0.264 20 0 CBADHO COCCNCCNC(=O)c1csc(CC[NH3+])n1 ZINC000194841262 336039311 /nfs/dbraw/zinc/03/93/11/336039311.db2.gz POZJTAINMKLRRU-UHFFFAOYSA-N 1 3 272.374 -0.390 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)CC[NH+]1CCCC1 ZINC000382468437 336091272 /nfs/dbraw/zinc/09/12/72/336091272.db2.gz AWDNTHRFLATABN-AWEZNQCLSA-N 1 3 273.421 -0.047 20 0 CBADHO CNC(=O)C(C)(C)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000386145232 336167106 /nfs/dbraw/zinc/16/71/06/336167106.db2.gz OFQLLSKLOOZELV-LLVKDONJSA-N 1 3 257.378 -0.197 20 0 CBADHO CNC(=O)C(C)(C)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386145232 336167108 /nfs/dbraw/zinc/16/71/08/336167108.db2.gz OFQLLSKLOOZELV-LLVKDONJSA-N 1 3 257.378 -0.197 20 0 CBADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000581998026 336187723 /nfs/dbraw/zinc/18/77/23/336187723.db2.gz PLJUPRHRPXTCTR-JKSUJKDBSA-N 1 3 298.475 -0.084 20 0 CBADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000581998026 336187724 /nfs/dbraw/zinc/18/77/24/336187724.db2.gz PLJUPRHRPXTCTR-JKSUJKDBSA-N 1 3 298.475 -0.084 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000044513628 526609751 /nfs/dbraw/zinc/60/97/51/526609751.db2.gz FJKQPWGGVIHMSC-UHFFFAOYSA-N 1 3 282.388 -0.652 20 0 CBADHO O=C(CN1CC[NH2+]CC1)NCCN1CCCCC1 ZINC000049575477 526787049 /nfs/dbraw/zinc/78/70/49/526787049.db2.gz JLDSWNLMPADGGT-UHFFFAOYSA-N 1 3 254.378 -0.506 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357229898 535738861 /nfs/dbraw/zinc/73/88/61/535738861.db2.gz WHIJOWCRNWPARA-VXGBXAGGSA-N 1 3 256.394 -0.277 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)CN1CCNCC1 ZINC000230712050 582129602 /nfs/dbraw/zinc/12/96/02/582129602.db2.gz NUDCSSYOCKCBLE-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO COCCC[N@H+](C)CCNC(=S)NCCN(C)C ZINC000741506528 582270177 /nfs/dbraw/zinc/27/01/77/582270177.db2.gz HPLGSPNTGALBOQ-UHFFFAOYSA-N 1 3 276.450 -0.020 20 0 CBADHO COCCC[N@@H+](C)CCNC(=S)NCCN(C)C ZINC000741506528 582270178 /nfs/dbraw/zinc/27/01/78/582270178.db2.gz HPLGSPNTGALBOQ-UHFFFAOYSA-N 1 3 276.450 -0.020 20 0 CBADHO CN1CCN(CCCNC(=S)NCC[NH+](C)C)CC1 ZINC000747740776 582286790 /nfs/dbraw/zinc/28/67/90/582286790.db2.gz XDLILWGYLIHMGK-UHFFFAOYSA-N 1 3 287.477 -0.350 20 0 CBADHO OC[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528816 582369088 /nfs/dbraw/zinc/36/90/88/582369088.db2.gz FUFREQIRGUBLKP-KBPBESRZSA-N 1 3 272.389 -0.180 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000783919014 582373127 /nfs/dbraw/zinc/37/31/27/582373127.db2.gz WSHLJMNXNLEOMV-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000783919014 582373128 /nfs/dbraw/zinc/37/31/28/582373128.db2.gz WSHLJMNXNLEOMV-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(C[C@H](O)C[NH+]1CCCC1)C1(CO)CCOCC1 ZINC000792408824 582395489 /nfs/dbraw/zinc/39/54/89/582395489.db2.gz JMZFKGSMRNBRJF-ZDUSSCGKSA-N 1 3 272.389 -0.084 20 0 CBADHO CN(CCNC(=O)CN1CCCC1)C(=O)C[NH+]1CCCC1 ZINC000822290732 582630725 /nfs/dbraw/zinc/63/07/25/582630725.db2.gz GESWKNUKJDRALP-UHFFFAOYSA-N 1 3 296.415 -0.247 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000827290407 582809428 /nfs/dbraw/zinc/80/94/28/582809428.db2.gz TWYIXBDNJNLTBR-RBSFLKMASA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000827290407 582809430 /nfs/dbraw/zinc/80/94/30/582809430.db2.gz TWYIXBDNJNLTBR-RBSFLKMASA-N 1 3 292.427 -0.071 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000827936147 582836371 /nfs/dbraw/zinc/83/63/71/582836371.db2.gz FPENSSYOQOXLJD-RGCMKSIDSA-N 1 3 279.384 -0.035 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC000829715557 582896059 /nfs/dbraw/zinc/89/60/59/582896059.db2.gz OTKAFWIGWYMRBK-XQQFMLRXSA-N 1 3 266.389 -0.428 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CCC1CC[NH2+]CC1 ZINC000830391596 582932139 /nfs/dbraw/zinc/93/21/39/582932139.db2.gz HYCDAURMMZZTQW-SECBINFHSA-N 1 3 275.374 -0.217 20 0 CBADHO CN1CCN(C(=O)NCCCCCC[NH3+])[C@@H](CN)C1 ZINC000831291404 582974703 /nfs/dbraw/zinc/97/47/03/582974703.db2.gz MWPUZDCPPWOFTL-LBPRGKRZSA-N 1 3 271.409 -0.210 20 0 CBADHO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@]1(F)CCNC1 ZINC000831683658 582993710 /nfs/dbraw/zinc/99/37/10/582993710.db2.gz XUBQQBRMAVYYPQ-WCQYABFASA-N 1 3 270.352 -0.806 20 0 CBADHO CCO[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000831737121 582999800 /nfs/dbraw/zinc/99/98/00/582999800.db2.gz CPYCBASAEAFCAE-ZIAGYGMSSA-N 1 3 298.431 -0.541 20 0 CBADHO C[NH+](C)CCOCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000831992581 583010245 /nfs/dbraw/zinc/01/02/45/583010245.db2.gz HKHXDUPMRKDGSB-UHFFFAOYSA-N 1 3 281.360 -0.637 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CNCC2 ZINC000832828506 583049425 /nfs/dbraw/zinc/04/94/25/583049425.db2.gz DDOBNBSLHVFBEM-VIFPVBQESA-N 1 3 263.345 -0.121 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)c1[nH]nc2c1CNCC2)C(F)F ZINC000834831951 583137134 /nfs/dbraw/zinc/13/71/34/583137134.db2.gz UGPDGILTKUQXHJ-MRVPVSSYSA-N 1 3 273.287 -0.232 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841790826 583174595 /nfs/dbraw/zinc/17/45/95/583174595.db2.gz KSGOXHPYIKRGJG-YNEHKIRRSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841790821 583174709 /nfs/dbraw/zinc/17/47/09/583174709.db2.gz KSGOXHPYIKRGJG-AVGNSLFASA-N 1 3 282.388 -0.099 20 0 CBADHO COC[C@]1(CNC(=O)[C@@]2(F)CCNC2)CCC[NH2+]1 ZINC000841851433 583175265 /nfs/dbraw/zinc/17/52/65/583175265.db2.gz QBONKVVVIUSAIA-VXGBXAGGSA-N 1 3 259.325 -0.427 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@@H](C)N1 ZINC000841854708 583175369 /nfs/dbraw/zinc/17/53/69/583175369.db2.gz GJYMTPMDRQDKQY-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC000841854707 583175399 /nfs/dbraw/zinc/17/53/99/583175399.db2.gz GJYMTPMDRQDKQY-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000842015192 583177861 /nfs/dbraw/zinc/17/78/61/583177861.db2.gz HOEDOAXLLQGMFR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842014584 583177894 /nfs/dbraw/zinc/17/78/94/583177894.db2.gz CSYCAIRVVOGHFE-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N1CCCCC1 ZINC000842016039 583178085 /nfs/dbraw/zinc/17/80/85/583178085.db2.gz QUBCLSDYRMQXHQ-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CS(=O)(=O)CC[NH2+]CCCCN1CCC[C@H]1CO ZINC000843073218 583199844 /nfs/dbraw/zinc/19/98/44/583199844.db2.gz OMQFLVXAWHVKAT-LBPRGKRZSA-N 1 3 278.418 -0.143 20 0 CBADHO CN1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844166872 583255636 /nfs/dbraw/zinc/25/56/36/583255636.db2.gz UPMQHMHWNQQQGK-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(CO[C@H]1CCC[NH2+]C1)NCCN1CCCC1 ZINC000844166697 583255795 /nfs/dbraw/zinc/25/57/95/583255795.db2.gz QBECISFEQVZAFE-LBPRGKRZSA-N 1 3 255.362 -0.033 20 0 CBADHO COCCN(C)CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844172691 583256717 /nfs/dbraw/zinc/25/67/17/583256717.db2.gz GHUAEPFDBXVEEJ-ZDUSSCGKSA-N 1 3 287.404 -0.161 20 0 CBADHO CN1CCC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844174875 583257374 /nfs/dbraw/zinc/25/73/74/583257374.db2.gz HBLKCPZDLDESBX-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000844179005 583257694 /nfs/dbraw/zinc/25/76/94/583257694.db2.gz CLHONJJPYASAEF-MJBXVCDLSA-N 1 3 297.399 -0.266 20 0 CBADHO COCCCN(C)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844185002 583259390 /nfs/dbraw/zinc/25/93/90/583259390.db2.gz BVWMBLROPBIFQK-CYBMUJFWSA-N 1 3 287.404 -0.161 20 0 CBADHO CCN1CCN(CCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192466 583260631 /nfs/dbraw/zinc/26/06/31/583260631.db2.gz TVJOQPPBQQREQD-AWEZNQCLSA-N 1 3 298.431 -0.491 20 0 CBADHO CN(C)CCN1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000844377958 583269362 /nfs/dbraw/zinc/26/93/62/583269362.db2.gz IZFBULWXNAOURM-AWEZNQCLSA-N 1 3 298.431 -0.851 20 0 CBADHO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848605197 583451850 /nfs/dbraw/zinc/45/18/50/583451850.db2.gz KIXVFYYLJCYBGV-STQMWFEESA-N 1 3 284.404 -0.034 20 0 CBADHO C[NH+](C)CCNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650732 583453675 /nfs/dbraw/zinc/45/36/75/583453675.db2.gz TZWWKMPPXPUXAA-WDEREUQCSA-N 1 3 272.418 -0.827 20 0 CBADHO CS(=O)(=O)CCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000848717647 583456396 /nfs/dbraw/zinc/45/63/96/583456396.db2.gz CNLKPSZVUOALPA-MNOVXSKESA-N 1 3 264.391 -0.093 20 0 CBADHO CN1CC[NH+]=C1NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849040707 583471196 /nfs/dbraw/zinc/47/11/96/583471196.db2.gz CLTFYBBWJNPCLT-UHFFFAOYSA-N 1 3 295.431 -0.326 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655925 583517987 /nfs/dbraw/zinc/51/79/87/583517987.db2.gz CRAMTENYEWFRCZ-QJPTWQEYSA-N 1 3 268.361 -0.489 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000851689425 583521901 /nfs/dbraw/zinc/52/19/01/583521901.db2.gz OXYUBMGHTAHWCQ-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CN1CCN(C(=O)C=C2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000852798258 583553239 /nfs/dbraw/zinc/55/32/39/583553239.db2.gz HSUPODPVHZWNQT-LBPRGKRZSA-N 1 3 252.362 -0.603 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852854679 583561182 /nfs/dbraw/zinc/56/11/82/583561182.db2.gz MTPALBMAYUDFRR-JTQLQIEISA-N 1 3 256.350 -0.062 20 0 CBADHO C[NH+]1CCC(CCNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852863314 583563399 /nfs/dbraw/zinc/56/33/99/583563399.db2.gz SZTLKCHIMSRQOT-NSHDSACASA-N 1 3 268.361 -0.062 20 0 CBADHO CCCC[N@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852863844 583563428 /nfs/dbraw/zinc/56/34/28/583563428.db2.gz SDJJLNFLLIQOJZ-SNVBAGLBSA-N 1 3 256.350 -0.062 20 0 CBADHO CCCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852863844 583563430 /nfs/dbraw/zinc/56/34/30/583563430.db2.gz SDJJLNFLLIQOJZ-SNVBAGLBSA-N 1 3 256.350 -0.062 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865622 583563981 /nfs/dbraw/zinc/56/39/81/583563981.db2.gz JZUCHMBUROYGQY-WDEREUQCSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865622 583563983 /nfs/dbraw/zinc/56/39/83/583563983.db2.gz JZUCHMBUROYGQY-WDEREUQCSA-N 1 3 266.345 -0.310 20 0 CBADHO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000852865417 583564120 /nfs/dbraw/zinc/56/41/20/583564120.db2.gz BVAVKELATLHRIE-QWRGUYRKSA-N 1 3 266.345 -0.215 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](CN)C2)CC[N@@H+]1C ZINC000852868817 583564710 /nfs/dbraw/zinc/56/47/10/583564710.db2.gz VKXHEEYWWGLGEI-BBBLOLIVSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](CN)C2)CC[N@H+]1C ZINC000852868817 583564711 /nfs/dbraw/zinc/56/47/11/583564711.db2.gz VKXHEEYWWGLGEI-BBBLOLIVSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870798 583565163 /nfs/dbraw/zinc/56/51/63/583565163.db2.gz YEIWPSDZRNOVNG-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870798 583565165 /nfs/dbraw/zinc/56/51/65/583565165.db2.gz YEIWPSDZRNOVNG-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCN(c3cc[nH+]cc3)CC2)=NO1 ZINC000852873518 583565532 /nfs/dbraw/zinc/56/55/32/583565532.db2.gz XILBIPCRQMDFFM-GFCCVEGCSA-N 1 3 289.339 -0.166 20 0 CBADHO NC[C@H]1CC(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)=NO1 ZINC000852873916 583565536 /nfs/dbraw/zinc/56/55/36/583565536.db2.gz DMKMFWXXYYWDDS-GXSJLCMTSA-N 1 3 289.339 -0.060 20 0 CBADHO NC[C@@H]1CC(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)=NO1 ZINC000852873917 583565643 /nfs/dbraw/zinc/56/56/43/583565643.db2.gz DMKMFWXXYYWDDS-KOLCDFICSA-N 1 3 289.339 -0.060 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1=NO[C@H](CN)C1 ZINC000852878012 583566485 /nfs/dbraw/zinc/56/64/85/583566485.db2.gz LFWWCZIDONQVFG-CIUDSAMLSA-N 1 3 258.297 -0.752 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852880604 583566781 /nfs/dbraw/zinc/56/67/81/583566781.db2.gz NVIJTQZBYGPQCJ-NWDGAFQWSA-N 1 3 280.372 -0.062 20 0 CBADHO NC[C@H]1CC(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)=NO1 ZINC000852881173 583566887 /nfs/dbraw/zinc/56/68/87/583566887.db2.gz RWSVYMXWQZUQOI-GMTAPVOTSA-N 1 3 268.361 -0.029 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852882249 583567445 /nfs/dbraw/zinc/56/74/45/583567445.db2.gz AZIKXVGIVOECTI-WPRPVWTQSA-N 1 3 254.334 -0.406 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H](CC[NH3+])C(F)(F)F)=NO1 ZINC000852883288 583567756 /nfs/dbraw/zinc/56/77/56/583567756.db2.gz XGAPKZNLFMVXQI-CAHLUQPWSA-N 1 3 268.239 -0.514 20 0 CBADHO [NH3+]C[C@H]1CC(C(=O)N2CCN3CCC2CC3)=NO1 ZINC000852884812 583568383 /nfs/dbraw/zinc/56/83/83/583568383.db2.gz KXVXUZPDFPGNDP-SNVBAGLBSA-N 1 3 252.318 -0.603 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852884886 583568390 /nfs/dbraw/zinc/56/83/90/583568390.db2.gz PTJLBMKANLVDQB-CKYFFXLPSA-N 1 3 268.361 -0.111 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852884886 583568392 /nfs/dbraw/zinc/56/83/92/583568392.db2.gz PTJLBMKANLVDQB-CKYFFXLPSA-N 1 3 268.361 -0.111 20 0 CBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@@]1(C)C[NH3+] ZINC000852889514 583569779 /nfs/dbraw/zinc/56/97/79/583569779.db2.gz FBTQUCHFKWYCIG-KBVBSXBZSA-N 1 3 254.334 -0.467 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@H](CN)C2)C[C@@H]1C[NH3+] ZINC000852892578 583570430 /nfs/dbraw/zinc/57/04/30/583570430.db2.gz IDCPNABABOAERO-RCWTZXSCSA-N 1 3 268.361 -0.078 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852895478 583570932 /nfs/dbraw/zinc/57/09/32/583570932.db2.gz CLXXBMJLDAFBIC-NSHDSACASA-N 1 3 284.360 -0.683 20 0 CBADHO NC[C@H]1CC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)=NO1 ZINC000852896000 583571231 /nfs/dbraw/zinc/57/12/31/583571231.db2.gz PLXXLJORNPYKTP-CWSCBRNRSA-N 1 3 266.345 -0.323 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852898436 583572105 /nfs/dbraw/zinc/57/21/05/583572105.db2.gz YTTRACOZOFXEBL-AEJSXWLSSA-N 1 3 254.334 -0.454 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852924828 583575169 /nfs/dbraw/zinc/57/51/69/583575169.db2.gz UZSMXECLAWSIQD-RYUDHWBXSA-N 1 3 298.387 -0.341 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COC(=O)N1 ZINC000859223342 583711522 /nfs/dbraw/zinc/71/15/22/583711522.db2.gz VDVYLHSLRUHOOK-JTQLQIEISA-N 1 3 272.349 -0.953 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861744212 583783367 /nfs/dbraw/zinc/78/33/67/583783367.db2.gz USKBGKQPECFBSC-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000861763373 583785007 /nfs/dbraw/zinc/78/50/07/583785007.db2.gz WGVFGVGOLIHSHQ-QWRGUYRKSA-N 1 3 282.388 -0.441 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000861763367 583785148 /nfs/dbraw/zinc/78/51/48/583785148.db2.gz WGVFGVGOLIHSHQ-GHMZBOCLSA-N 1 3 282.388 -0.441 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861769735 583785421 /nfs/dbraw/zinc/78/54/21/583785421.db2.gz BVRLLABPLMNFCV-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CS(=O)(=O)CCOCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000863551510 583846355 /nfs/dbraw/zinc/84/63/55/583846355.db2.gz GKCLAVVFJWNQMT-LBPRGKRZSA-N 1 3 294.417 -0.906 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000863749885 583852434 /nfs/dbraw/zinc/85/24/34/583852434.db2.gz DYGHQFKCLRVPNJ-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863754357 583852908 /nfs/dbraw/zinc/85/29/08/583852908.db2.gz QRFCWMZQRMTMKB-LBPRGKRZSA-N 1 3 284.404 -0.265 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863767489 583855203 /nfs/dbraw/zinc/85/52/03/583855203.db2.gz QKYLSDTXRNSOQR-UPJWGTAASA-N 1 3 296.415 -0.123 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)CN(C)C1CCC1 ZINC000863905563 583860568 /nfs/dbraw/zinc/86/05/68/583860568.db2.gz MULOASODMIOXAZ-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)CN(C)C1CCC1 ZINC000863905563 583860570 /nfs/dbraw/zinc/86/05/70/583860570.db2.gz MULOASODMIOXAZ-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO C[C@H](CNC(=O)[C@@H](F)C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000864827188 583890317 /nfs/dbraw/zinc/89/03/17/583890317.db2.gz CNEBXGAZBSXGQT-JGPRNRPPSA-N 1 3 290.383 -0.543 20 0 CBADHO C[C@H](CNC(=O)[C@@H](F)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000864827188 583890319 /nfs/dbraw/zinc/89/03/19/583890319.db2.gz CNEBXGAZBSXGQT-JGPRNRPPSA-N 1 3 290.383 -0.543 20 0 CBADHO Cn1nnnc1CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000866661211 583926202 /nfs/dbraw/zinc/92/62/02/583926202.db2.gz QFIKGPYJUSCNME-DCAQKATOSA-N 1 3 250.350 -0.188 20 0 CBADHO C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@H](O)CN ZINC000866666973 583926607 /nfs/dbraw/zinc/92/66/07/583926607.db2.gz YDWWMXGANZHHKA-GFCCVEGCSA-N 1 3 251.330 -0.421 20 0 CBADHO C[N@@H+](CCc1ccc(C(N)=O)cc1)C[C@H](O)CN ZINC000866666973 583926608 /nfs/dbraw/zinc/92/66/08/583926608.db2.gz YDWWMXGANZHHKA-GFCCVEGCSA-N 1 3 251.330 -0.421 20 0 CBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000866708172 583928103 /nfs/dbraw/zinc/92/81/03/583928103.db2.gz DCDWEKNLFHJSSB-ZDEQEGDKSA-N 1 3 281.356 -0.110 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868406161 583977887 /nfs/dbraw/zinc/97/78/87/583977887.db2.gz MDPQEZDDDFWJHL-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868421461 583979150 /nfs/dbraw/zinc/97/91/50/583979150.db2.gz LNMTYHBEXDIKCQ-RYUDHWBXSA-N 1 3 282.388 -0.641 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000869777556 584004081 /nfs/dbraw/zinc/00/40/81/584004081.db2.gz QITWVELIRUMFAC-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000869777556 584004083 /nfs/dbraw/zinc/00/40/83/584004083.db2.gz QITWVELIRUMFAC-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CNCCO1 ZINC000870947248 584022796 /nfs/dbraw/zinc/02/27/96/584022796.db2.gz YGFHGJVJPBLVFP-QWKFWESOSA-N 1 3 253.346 -0.377 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980905 584023886 /nfs/dbraw/zinc/02/38/86/584023886.db2.gz DSHGDHRCOLVZLF-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980905 584023888 /nfs/dbraw/zinc/02/38/88/584023888.db2.gz DSHGDHRCOLVZLF-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CNCCO3)CC[C@H]21 ZINC000870981244 584023976 /nfs/dbraw/zinc/02/39/76/584023976.db2.gz GTMYURWLSKUALF-FRRDWIJNSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CNCCO3)CC[C@H]21 ZINC000870981244 584023977 /nfs/dbraw/zinc/02/39/77/584023977.db2.gz GTMYURWLSKUALF-FRRDWIJNSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC[C@]12COC(=O)N1CCOC2 ZINC000873248366 584069197 /nfs/dbraw/zinc/06/91/97/584069197.db2.gz DPRTVZJAOHXFBX-UMNHJUIQSA-N 1 3 257.334 -0.077 20 0 CBADHO CN1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000876542066 584132528 /nfs/dbraw/zinc/13/25/28/584132528.db2.gz LAMZSFPQDWFQBU-HBNTYKKESA-N 1 3 258.341 -0.965 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000876743674 584141600 /nfs/dbraw/zinc/14/16/00/584141600.db2.gz HHHVDRZUUARRLO-COMQUAJESA-N 1 3 297.399 -0.267 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000876743676 584141702 /nfs/dbraw/zinc/14/17/02/584141702.db2.gz HHHVDRZUUARRLO-OSFYFWSMSA-N 1 3 297.399 -0.267 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876771153 584143625 /nfs/dbraw/zinc/14/36/25/584143625.db2.gz NNZHDNPYKWODED-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000876772700 584143692 /nfs/dbraw/zinc/14/36/92/584143692.db2.gz RAOXUJABDSDGCN-UTUOFQBUSA-N 1 3 256.394 -0.184 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000876772700 584143694 /nfs/dbraw/zinc/14/36/94/584143694.db2.gz RAOXUJABDSDGCN-UTUOFQBUSA-N 1 3 256.394 -0.184 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876775461 584143777 /nfs/dbraw/zinc/14/37/77/584143777.db2.gz WFZOVBHYPTVZKM-RYUDHWBXSA-N 1 3 256.394 -0.325 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876775461 584143778 /nfs/dbraw/zinc/14/37/78/584143778.db2.gz WFZOVBHYPTVZKM-RYUDHWBXSA-N 1 3 256.394 -0.325 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782651 584144168 /nfs/dbraw/zinc/14/41/68/584144168.db2.gz YBDHTMOIIYIZIK-STQMWFEESA-N 1 3 285.436 -0.983 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876786865 584144531 /nfs/dbraw/zinc/14/45/31/584144531.db2.gz QDXNCQDJHHXHGE-QWHCGFSZSA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787554 584144539 /nfs/dbraw/zinc/14/45/39/584144539.db2.gz VEVJMRDMNABVMQ-AVGNSLFASA-N 1 3 268.405 -0.134 20 0 CBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNCCOC ZINC000876792885 584145059 /nfs/dbraw/zinc/14/50/59/584145059.db2.gz XRSFGVPIVKVPRJ-BLDJZWNYSA-N 1 3 255.362 -0.250 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000876799610 584145605 /nfs/dbraw/zinc/14/56/05/584145605.db2.gz IHIPEHKBYDMRSL-YFKTTZPYSA-N 1 3 254.378 -0.539 20 0 CBADHO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C[C@H]1C[NH3+] ZINC000876927851 584156196 /nfs/dbraw/zinc/15/61/96/584156196.db2.gz NIWGAUAKVPWCNA-KKOKHZNYSA-N 1 3 256.394 -0.293 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C[C@@H]1C[NH3+] ZINC000876927853 584156226 /nfs/dbraw/zinc/15/62/26/584156226.db2.gz NIWGAUAKVPWCNA-RHYQMDGZSA-N 1 3 256.394 -0.293 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876925561 584156247 /nfs/dbraw/zinc/15/62/47/584156247.db2.gz LHUQYICFNCOYST-NEPJUHHUSA-N 1 3 262.357 -0.208 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876939170 584157021 /nfs/dbraw/zinc/15/70/21/584157021.db2.gz TVLNXENKNBQTHL-LBPRGKRZSA-N 1 3 250.346 -0.350 20 0 CBADHO C[NH2+]CCOCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000877025240 584162173 /nfs/dbraw/zinc/16/21/73/584162173.db2.gz DOYXCHVHUDNXQW-UHFFFAOYSA-N 1 3 267.333 -0.979 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CNCC3)C[NH2+]1 ZINC000877052937 584164259 /nfs/dbraw/zinc/16/42/59/584164259.db2.gz YSTIYZPXVIVANY-RKDXNWHRSA-N 1 3 263.345 -0.074 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000877107993 584166535 /nfs/dbraw/zinc/16/65/35/584166535.db2.gz NUELWWFJIBPGBE-SNVBAGLBSA-N 1 3 253.350 -0.136 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000877248577 584172367 /nfs/dbraw/zinc/17/23/67/584172367.db2.gz BQXAYBQIZHPFBV-OLZOCXBDSA-N 1 3 266.389 -0.556 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000877248577 584172368 /nfs/dbraw/zinc/17/23/68/584172368.db2.gz BQXAYBQIZHPFBV-OLZOCXBDSA-N 1 3 266.389 -0.556 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250959 584172701 /nfs/dbraw/zinc/17/27/01/584172701.db2.gz UZRGNTNTUSPQKW-SDDRHHMPSA-N 1 3 254.378 -0.572 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250959 584172704 /nfs/dbraw/zinc/17/27/04/584172704.db2.gz UZRGNTNTUSPQKW-SDDRHHMPSA-N 1 3 254.378 -0.572 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CC[C@H]21 ZINC000877251117 584172969 /nfs/dbraw/zinc/17/29/69/584172969.db2.gz YOSYHDGZOOWJQG-WRWGMCAJSA-N 1 3 253.346 -0.345 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CC[C@H]21 ZINC000877251117 584172970 /nfs/dbraw/zinc/17/29/70/584172970.db2.gz YOSYHDGZOOWJQG-WRWGMCAJSA-N 1 3 253.346 -0.345 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877253435 584173435 /nfs/dbraw/zinc/17/34/35/584173435.db2.gz XQAJIMFFAYAPPM-MFKMUULPSA-N 1 3 284.404 -0.410 20 0 CBADHO C[C@H](NC(=O)CN1CCNCC1)C1CC[NH2+]CC1 ZINC000877253715 584173441 /nfs/dbraw/zinc/17/34/41/584173441.db2.gz FNFUXSHTRADNAH-NSHDSACASA-N 1 3 254.378 -0.604 20 0 CBADHO CCNCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336536 584179098 /nfs/dbraw/zinc/17/90/98/584179098.db2.gz KIAFJHCYRMMFNM-NSHDSACASA-N 1 3 255.362 -0.129 20 0 CBADHO CC[C@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877339159 584179175 /nfs/dbraw/zinc/17/91/75/584179175.db2.gz TVTAXFRTNDAFFN-MNOVXSKESA-N 1 3 255.362 -0.001 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373888 584180107 /nfs/dbraw/zinc/18/01/07/584180107.db2.gz NUUBAMQODHMWNO-OPQQBVKSSA-N 1 3 269.345 -0.665 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390095 584180565 /nfs/dbraw/zinc/18/05/65/584180565.db2.gz HUROBEAVRCJPCB-KWBADKCTSA-N 1 3 269.345 -0.332 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000877451531 584182234 /nfs/dbraw/zinc/18/22/34/584182234.db2.gz QJRXJUWDGZOOSH-DYEKYZERSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000877451531 584182236 /nfs/dbraw/zinc/18/22/36/584182236.db2.gz QJRXJUWDGZOOSH-DYEKYZERSA-N 1 3 296.415 -0.219 20 0 CBADHO COCC[C@@]1(NCC(=O)NC2CC[NH+](C)CC2)CCOC1 ZINC000878520197 584206632 /nfs/dbraw/zinc/20/66/32/584206632.db2.gz DCRZTTAXVKWWDF-OAHLLOKOSA-N 1 3 299.415 -0.018 20 0 CBADHO CN1CC[C@]2(CC[N@H+](CCc3nnnn3C)C2)C1 ZINC000878646221 584211822 /nfs/dbraw/zinc/21/18/22/584211822.db2.gz XJHBSCSZSAGHHK-LBPRGKRZSA-N 1 3 250.350 -0.220 20 0 CBADHO CN1CC[C@]2(CC[N@@H+](CCc3nnnn3C)C2)C1 ZINC000878646221 584211824 /nfs/dbraw/zinc/21/18/24/584211824.db2.gz XJHBSCSZSAGHHK-LBPRGKRZSA-N 1 3 250.350 -0.220 20 0 CBADHO CN1CC[C@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574009 584241842 /nfs/dbraw/zinc/24/18/42/584241842.db2.gz VQGTUMWRXQQLHL-WDEREUQCSA-N 1 3 268.361 -0.013 20 0 CBADHO CN1CC[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574009 584241843 /nfs/dbraw/zinc/24/18/43/584241843.db2.gz VQGTUMWRXQQLHL-WDEREUQCSA-N 1 3 268.361 -0.013 20 0 CBADHO CN1CC[C@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574008 584242027 /nfs/dbraw/zinc/24/20/27/584242027.db2.gz VQGTUMWRXQQLHL-QWRGUYRKSA-N 1 3 268.361 -0.013 20 0 CBADHO CN1CC[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@@H]21 ZINC000879574008 584242029 /nfs/dbraw/zinc/24/20/29/584242029.db2.gz VQGTUMWRXQQLHL-QWRGUYRKSA-N 1 3 268.361 -0.013 20 0 CBADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880073134 584261360 /nfs/dbraw/zinc/26/13/60/584261360.db2.gz SYKFLKFHQVJHSS-ZNMIVQPWSA-N 1 3 285.432 -0.172 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880073134 584261362 /nfs/dbraw/zinc/26/13/62/584261362.db2.gz 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/nfs/dbraw/zinc/35/54/50/584355450.db2.gz HAWUALDDYZPEIV-CYBMUJFWSA-N 1 3 289.383 -0.075 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)CC1CC1 ZINC000884027804 584356455 /nfs/dbraw/zinc/35/64/55/584356455.db2.gz NSGKLNCCNYJHHX-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](CN)C1 ZINC000884042056 584357244 /nfs/dbraw/zinc/35/72/44/584357244.db2.gz PACLUCAXMMAICB-MNOVXSKESA-N 1 3 254.378 -0.667 20 0 CBADHO COCC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884213163 584367846 /nfs/dbraw/zinc/36/78/46/584367846.db2.gz UXZBEYMQQDAZKQ-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO COCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213163 584367849 /nfs/dbraw/zinc/36/78/49/584367849.db2.gz UXZBEYMQQDAZKQ-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000884316175 584373599 /nfs/dbraw/zinc/37/35/99/584373599.db2.gz LOUMVFYLQIESON-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000884316175 584373602 /nfs/dbraw/zinc/37/36/02/584373602.db2.gz LOUMVFYLQIESON-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)C[C@H]2N)cn1 ZINC000884371670 584377284 /nfs/dbraw/zinc/37/72/84/584377284.db2.gz TZBSGWOZTPOQBJ-YNEHKIRRSA-N 1 3 291.399 -0.081 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884469655 584383446 /nfs/dbraw/zinc/38/34/46/584383446.db2.gz QPBXQALAZXYPMP-BJHJDKERSA-N 1 3 289.383 -0.042 20 0 CBADHO CCN(C(=O)C(=O)NCC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000884529851 584386899 /nfs/dbraw/zinc/38/68/99/584386899.db2.gz XTYMJXPEIUBXDH-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N(C)C1CC1 ZINC000884618261 584391105 /nfs/dbraw/zinc/39/11/05/584391105.db2.gz ZMODKRUYYMCTSI-SNVBAGLBSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C1CC1 ZINC000884617817 584391267 /nfs/dbraw/zinc/39/12/67/584391267.db2.gz SRDXUPPZTXEFSU-UTUOFQBUSA-N 1 3 294.399 -0.452 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626890 584391623 /nfs/dbraw/zinc/39/16/23/584391623.db2.gz YNKLDJFLNVMEBF-JHJVBQTASA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626890 584391625 /nfs/dbraw/zinc/39/16/25/584391625.db2.gz YNKLDJFLNVMEBF-JHJVBQTASA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1=CCN(C)CC1 ZINC000884623801 584391765 /nfs/dbraw/zinc/39/17/65/584391765.db2.gz PACYOCKNHNFHIT-WCQYABFASA-N 1 3 294.399 -0.297 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884650662 584392495 /nfs/dbraw/zinc/39/24/95/584392495.db2.gz QXPCJCBLLVLPQY-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884650233 584392537 /nfs/dbraw/zinc/39/25/37/584392537.db2.gz CEJJQXBSAVXKIW-VXGBXAGGSA-N 1 3 284.404 -0.502 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670273 584394049 /nfs/dbraw/zinc/39/40/49/584394049.db2.gz UJIWPUCHGMWWNV-UPJWGTAASA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670273 584394051 /nfs/dbraw/zinc/39/40/51/584394051.db2.gz UJIWPUCHGMWWNV-UPJWGTAASA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000884673201 584394206 /nfs/dbraw/zinc/39/42/06/584394206.db2.gz QDHJSHBZXUWESW-NSHDSACASA-N 1 3 291.355 -0.806 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884684821 584395889 /nfs/dbraw/zinc/39/58/89/584395889.db2.gz PXJFTLGBNUHQHT-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884686306 584396106 /nfs/dbraw/zinc/39/61/06/584396106.db2.gz DVTDCJIMKCRXRL-UHFFFAOYSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884704686 584399198 /nfs/dbraw/zinc/39/91/98/584399198.db2.gz PFJVQKYSFISWNM-GMTAPVOTSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884704686 584399199 /nfs/dbraw/zinc/39/91/99/584399199.db2.gz PFJVQKYSFISWNM-GMTAPVOTSA-N 1 3 268.361 -0.998 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@H]21 ZINC000884706676 584399546 /nfs/dbraw/zinc/39/95/46/584399546.db2.gz KQMHIJNHBAGJEC-FRRDWIJNSA-N 1 3 294.399 -0.608 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@H]21 ZINC000884706676 584399549 /nfs/dbraw/zinc/39/95/49/584399549.db2.gz KQMHIJNHBAGJEC-FRRDWIJNSA-N 1 3 294.399 -0.608 20 0 CBADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000885205070 584410233 /nfs/dbraw/zinc/41/02/33/584410233.db2.gz WOPMCXKBOIMQGE-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000886571703 584443027 /nfs/dbraw/zinc/44/30/27/584443027.db2.gz FIAPLIKCTPBGDD-YUTCNCBUSA-N 1 3 281.400 -0.101 20 0 CBADHO CN(CCO)CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000887828895 584474836 /nfs/dbraw/zinc/47/48/36/584474836.db2.gz DXFUJFMLLAQCIV-UHFFFAOYSA-N 1 3 298.391 -0.510 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000889042030 584515635 /nfs/dbraw/zinc/51/56/35/584515635.db2.gz YWVPHQXPKROXKU-RYUDHWBXSA-N 1 3 299.419 -0.302 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891492193 584582450 /nfs/dbraw/zinc/58/24/50/584582450.db2.gz GJZMZZYRQFHRSY-GXTWGEPZSA-N 1 3 284.404 -0.185 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891492073 584582499 /nfs/dbraw/zinc/58/24/99/584582499.db2.gz DOMPQSMIZXFWSQ-PHIMTYICSA-N 1 3 258.366 -0.399 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000891514650 584583357 /nfs/dbraw/zinc/58/33/57/584583357.db2.gz WDVKOUHNKADCON-AGIUHOORSA-N 1 3 282.388 -0.018 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891514717 584583388 /nfs/dbraw/zinc/58/33/88/584583388.db2.gz YEBXPKLSAJFCBO-MROQNXINSA-N 1 3 282.388 -0.019 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891536739 584584304 /nfs/dbraw/zinc/58/43/04/584584304.db2.gz GTHGECNTHRXEBL-XQQFMLRXSA-N 1 3 282.388 -0.147 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891575064 584586505 /nfs/dbraw/zinc/58/65/05/584586505.db2.gz DFCBQLHOFUVMQB-SRVKXCTJSA-N 1 3 270.377 -0.256 20 0 CBADHO C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891604220 584587757 /nfs/dbraw/zinc/58/77/57/584587757.db2.gz WLGWMKRLMKCOPU-MCIONIFRSA-N 1 3 297.447 -0.094 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004244 584598617 /nfs/dbraw/zinc/59/86/17/584598617.db2.gz CDTSUDFYXACZSO-NEPJUHHUSA-N 1 3 284.404 -0.117 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000892024128 584599408 /nfs/dbraw/zinc/59/94/08/584599408.db2.gz OCMDUPBAIJJFDD-NWDGAFQWSA-N 1 3 284.404 -0.132 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000892049144 584601209 /nfs/dbraw/zinc/60/12/09/584601209.db2.gz SCWNDDIGYDWVIJ-RYUDHWBXSA-N 1 3 284.404 -0.132 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892055623 584602369 /nfs/dbraw/zinc/60/23/69/584602369.db2.gz KQFAUTFYXLZDQO-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CNCCO1)C2 ZINC000892183244 584608175 /nfs/dbraw/zinc/60/81/75/584608175.db2.gz DRWDWJAGOQVFAB-GMXVVIOVSA-N 1 3 268.361 -0.774 20 0 CBADHO CCC1([NH3+])CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000892187732 584608517 /nfs/dbraw/zinc/60/85/17/584608517.db2.gz CEYPHMCNRTZLHJ-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO CN1CCN(C(=O)NCCC(C)(C)[NH3+])[C@@H](CN)C1 ZINC000892852028 584628506 /nfs/dbraw/zinc/62/85/06/584628506.db2.gz YQSZHMNWLZWMHP-JTQLQIEISA-N 1 3 257.382 -0.602 20 0 CBADHO CCC1([NH3+])CCN(C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000892933918 584630087 /nfs/dbraw/zinc/63/00/87/584630087.db2.gz TWIWIIFDTDJEOU-LBPRGKRZSA-N 1 3 283.420 -0.116 20 0 CBADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCCOCC[NH+](C)C)C1 ZINC000894366651 584656830 /nfs/dbraw/zinc/65/68/30/584656830.db2.gz MVQCWXXZNLCBRK-STQMWFEESA-N 1 3 284.404 -0.090 20 0 CBADHO COC(=O)[C@@]1(O)CC[N@H+](CC2CCN(C)CC2)C1 ZINC000896035253 584691136 /nfs/dbraw/zinc/69/11/36/584691136.db2.gz QUNGTBMALIMQOX-CYBMUJFWSA-N 1 3 256.346 -0.062 20 0 CBADHO COC(=O)[C@@]1(O)CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000896035253 584691138 /nfs/dbraw/zinc/69/11/38/584691138.db2.gz QUNGTBMALIMQOX-CYBMUJFWSA-N 1 3 256.346 -0.062 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000897446650 584716645 /nfs/dbraw/zinc/71/66/45/584716645.db2.gz XKQWRCQWCSQIFF-TZMCWYRMSA-N 1 3 284.404 -0.306 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000897446650 584716646 /nfs/dbraw/zinc/71/66/46/584716646.db2.gz XKQWRCQWCSQIFF-TZMCWYRMSA-N 1 3 284.404 -0.306 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000897514384 584719244 /nfs/dbraw/zinc/71/92/44/584719244.db2.gz PIBXXCMOPOGHAX-HZSPNIEDSA-N 1 3 296.415 -0.069 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000897514384 584719245 /nfs/dbraw/zinc/71/92/45/584719245.db2.gz PIBXXCMOPOGHAX-HZSPNIEDSA-N 1 3 296.415 -0.069 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCO)CC[N@@H+]1C ZINC000899737755 584777994 /nfs/dbraw/zinc/77/79/94/584777994.db2.gz NQTRDVKHNIPZBS-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCO)CC[N@H+]1C ZINC000899737755 584777996 /nfs/dbraw/zinc/77/79/96/584777996.db2.gz NQTRDVKHNIPZBS-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)N(C)C ZINC000900164148 584793700 /nfs/dbraw/zinc/79/37/00/584793700.db2.gz WXASEZSGHKHCMS-AAEUAGOBSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)N(C)C ZINC000900164148 584793702 /nfs/dbraw/zinc/79/37/02/584793702.db2.gz WXASEZSGHKHCMS-AAEUAGOBSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C[C@@]1(O)CCCN(C)C1)[NH+](C)C ZINC000900164148 584793704 /nfs/dbraw/zinc/79/37/04/584793704.db2.gz WXASEZSGHKHCMS-AAEUAGOBSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CC(=O)N1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430962 584890319 /nfs/dbraw/zinc/89/03/19/584890319.db2.gz ANEMASKQNXLGAE-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO COCCNC(=O)CN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441469 584890465 /nfs/dbraw/zinc/89/04/65/584890465.db2.gz UAUREUAYYPCITQ-KGLIPLIRSA-N 1 3 298.431 -0.506 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(N)=O)C2 ZINC000903492446 584891601 /nfs/dbraw/zinc/89/16/01/584891601.db2.gz DSVPHPJCAJJIIY-UOKLYIGXSA-N 1 3 255.318 -0.928 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NC1CC1)C2 ZINC000903493125 584891754 /nfs/dbraw/zinc/89/17/54/584891754.db2.gz UPGOTQBHCXEELN-ZVXAKGHKSA-N 1 3 295.383 -0.134 20 0 CBADHO [NH3+]C1(CNS(=O)(=O)CCCN2CCCC2)CC1 ZINC000903524275 584892454 /nfs/dbraw/zinc/89/24/54/584892454.db2.gz ISNWFZZCEJYIPK-UHFFFAOYSA-N 1 3 261.391 -0.117 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)[C@H]1CCCNC1 ZINC000903583925 584893938 /nfs/dbraw/zinc/89/39/38/584893938.db2.gz HXNGLANRWOLVFI-GRYCIOLGSA-N 1 3 273.402 -0.119 20 0 CBADHO O=S(=O)([C@H]1CCCNC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591599 584894119 /nfs/dbraw/zinc/89/41/19/584894119.db2.gz GPLNFGDGANJMKU-RYUDHWBXSA-N 1 3 273.402 -0.104 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000903610040 584894929 /nfs/dbraw/zinc/89/49/29/584894929.db2.gz WZTPZMHFZFFRIZ-RYUDHWBXSA-N 1 3 275.418 0.000 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903731494 584896235 /nfs/dbraw/zinc/89/62/35/584896235.db2.gz HULQOWAWNDMNCL-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903749720 584897342 /nfs/dbraw/zinc/89/73/42/584897342.db2.gz PKEAYMHUTZKBTA-KCQAQPDRSA-N 1 3 297.399 -0.408 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903760880 584897766 /nfs/dbraw/zinc/89/77/66/584897766.db2.gz WMCSZUCQPXCFCT-GFCCVEGCSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1C[NH3+] ZINC000903788159 584899703 /nfs/dbraw/zinc/89/97/03/584899703.db2.gz CZCPNLGTPUJFST-NEPJUHHUSA-N 1 3 275.418 -0.061 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826311 584900945 /nfs/dbraw/zinc/90/09/45/584900945.db2.gz HWXHCRMEXDGZIE-WYUUTHIRSA-N 1 3 275.418 -0.302 20 0 CBADHO C[C@](Cn1cccn1)(NCC[C@H]1CC[NH2+]C1)C(N)=O ZINC000903829580 584901225 /nfs/dbraw/zinc/90/12/25/584901225.db2.gz HYVDHLHKLFFEFE-DGCLKSJQSA-N 1 3 265.361 -0.284 20 0 CBADHO COC[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000903880487 584903725 /nfs/dbraw/zinc/90/37/25/584903725.db2.gz JHOMJGKLFQLZOW-NWDGAFQWSA-N 1 3 255.362 -0.572 20 0 CBADHO COCCNCCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919672 584904823 /nfs/dbraw/zinc/90/48/23/584904823.db2.gz PLYWMMWWEWJPPC-LBPRGKRZSA-N 1 3 282.392 -0.472 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968645417 614340033 /nfs/dbraw/zinc/34/00/33/614340033.db2.gz ZEDGALVAFFQQRI-VXGBXAGGSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968645417 614340034 /nfs/dbraw/zinc/34/00/34/614340034.db2.gz ZEDGALVAFFQQRI-VXGBXAGGSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968915699 614356130 /nfs/dbraw/zinc/35/61/30/614356130.db2.gz NUYFYMKAWKUYCH-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968915699 614356132 /nfs/dbraw/zinc/35/61/32/614356132.db2.gz NUYFYMKAWKUYCH-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC000969989255 615375033 /nfs/dbraw/zinc/37/50/33/615375033.db2.gz JSSDKTBMGZOCKM-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC000969077560 615602604 /nfs/dbraw/zinc/60/26/04/615602604.db2.gz WNZGOMIFFLKNMF-QJPTWQEYSA-N 1 3 257.378 -0.102 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC000968907390 615841147 /nfs/dbraw/zinc/84/11/47/615841147.db2.gz LHACQOKTKXANIS-NEPJUHHUSA-N 1 3 294.399 -0.450 20 0 CBADHO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)C1CC1 ZINC000968912779 615972208 /nfs/dbraw/zinc/97/22/08/615972208.db2.gz ROSRRQJIMZXUEX-ZYHUDNBSSA-N 1 3 268.361 -0.998 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000968915261 615972339 /nfs/dbraw/zinc/97/23/39/615972339.db2.gz FUGDDFZGCBWXSG-VXGBXAGGSA-N 1 3 255.362 -0.491 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968967503 616195237 /nfs/dbraw/zinc/19/52/37/616195237.db2.gz RSXCSZRDSSAXSB-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968967503 616195238 /nfs/dbraw/zinc/19/52/38/616195238.db2.gz RSXCSZRDSSAXSB-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO COC(=O)N(C)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000701589961 656179425 /nfs/dbraw/zinc/17/94/25/656179425.db2.gz BCBAPIXSYPDENY-NSHDSACASA-N 1 3 259.350 -0.269 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715579877 656220415 /nfs/dbraw/zinc/22/04/15/656220415.db2.gz RPFXPEGQROWMEQ-TUAOUCFPSA-N 1 3 256.394 -0.136 20 0 CBADHO COC(=O)CCNC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923484833 658304558 /nfs/dbraw/zinc/30/45/58/658304558.db2.gz OIBCOQNEZHYFHM-SNVBAGLBSA-N 1 3 257.334 -0.664 20 0 CBADHO C[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923564063 658329522 /nfs/dbraw/zinc/32/95/22/658329522.db2.gz RVBQFDIKOJMPLF-LLVKDONJSA-N 1 3 276.406 -0.932 20 0 CBADHO C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618203 658354617 /nfs/dbraw/zinc/35/46/17/658354617.db2.gz KINRBIOOLXKRQU-NWDGAFQWSA-N 1 3 290.433 -0.592 20 0 CBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618202 658355469 /nfs/dbraw/zinc/35/54/69/658355469.db2.gz KINRBIOOLXKRQU-NEPJUHHUSA-N 1 3 290.433 -0.592 20 0 CBADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C1CNC1 ZINC000923622400 658357282 /nfs/dbraw/zinc/35/72/82/658357282.db2.gz XOWFGOBFVVEDFQ-QWRGUYRKSA-N 1 3 273.402 -0.153 20 0 CBADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C1CNC1 ZINC000923622400 658357296 /nfs/dbraw/zinc/35/72/96/658357296.db2.gz XOWFGOBFVVEDFQ-QWRGUYRKSA-N 1 3 273.402 -0.153 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)C3CNC3)C[C@H]21 ZINC000923637826 658367954 /nfs/dbraw/zinc/36/79/54/658367954.db2.gz UQDPYVNHHCIWEQ-JMJZKYOTSA-N 1 3 259.375 -0.653 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923636513 658368975 /nfs/dbraw/zinc/36/89/75/658368975.db2.gz MUACSINQQJTYGB-GFCCVEGCSA-N 1 3 273.402 -0.248 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923636514 658369218 /nfs/dbraw/zinc/36/92/18/658369218.db2.gz MUACSINQQJTYGB-LBPRGKRZSA-N 1 3 273.402 -0.248 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923642629 658370922 /nfs/dbraw/zinc/37/09/22/658370922.db2.gz GAOCTFQBCJMMIX-LLVKDONJSA-N 1 3 259.375 -0.637 20 0 CBADHO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923641877 658371147 /nfs/dbraw/zinc/37/11/47/658371147.db2.gz PWFXBUNSEYUENT-VIFPVBQESA-N 1 3 264.395 -0.901 20 0 CBADHO CN(CCO)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000925004003 658740697 /nfs/dbraw/zinc/74/06/97/658740697.db2.gz FTFAXZHYQXVHPK-UHFFFAOYSA-N 1 3 283.376 -0.901 20 0 CBADHO CNC(NCCCN1CCC[C@H]1C(=O)N(C)C)=[NH+]C ZINC000066246644 656036160 /nfs/dbraw/zinc/03/61/60/656036160.db2.gz DILXSWKESQTFFN-NSHDSACASA-N 1 3 269.393 -0.276 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000091668347 656058813 /nfs/dbraw/zinc/05/88/13/656058813.db2.gz PZKHANZTGZKQJC-IJLUTSLNSA-N 1 3 253.346 -0.282 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178874286 656089215 /nfs/dbraw/zinc/08/92/15/656089215.db2.gz WOMJKVRABLFIHT-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000250521508 656121987 /nfs/dbraw/zinc/12/19/87/656121987.db2.gz LITFGCKVBFJIQI-AGIUHOORSA-N 1 3 267.373 -0.035 20 0 CBADHO COC[C@]1(C(=O)NCCN2CCCC2)CC[NH2+]C1 ZINC000261567901 656124575 /nfs/dbraw/zinc/12/45/75/656124575.db2.gz IUZOMTUUSYECDV-ZDUSSCGKSA-N 1 3 255.362 -0.176 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262135215 656129502 /nfs/dbraw/zinc/12/95/02/656129502.db2.gz OGDKCVVEEKTNBN-LOWVWBTDSA-N 1 3 284.404 -0.186 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000702420711 656180589 /nfs/dbraw/zinc/18/05/89/656180589.db2.gz NCVHPOWNISWCIF-WOPDTQHZSA-N 1 3 254.378 -0.430 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000702420711 656180592 /nfs/dbraw/zinc/18/05/92/656180592.db2.gz NCVHPOWNISWCIF-WOPDTQHZSA-N 1 3 254.378 -0.430 20 0 CBADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)C)C[NH+]1CCCC1 ZINC000702418350 656180871 /nfs/dbraw/zinc/18/08/71/656180871.db2.gz BLOZLLDZMPPVIH-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000703612572 656183526 /nfs/dbraw/zinc/18/35/26/656183526.db2.gz VXHVRVIMJTWQQZ-USZNOCQGSA-N 1 3 253.346 -0.297 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000710128314 656197107 /nfs/dbraw/zinc/19/71/07/656197107.db2.gz PEUSHDNCMFPIRT-QJPTWQEYSA-N 1 3 267.373 -0.036 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000715528907 656220108 /nfs/dbraw/zinc/22/01/08/656220108.db2.gz BYGKXNVHWAGOKX-VXGBXAGGSA-N 1 3 290.433 -0.401 20 0 CBADHO Cn1ncc(C[NH3+])c1C(=O)NCCN1CCCC1 ZINC000719188689 656234476 /nfs/dbraw/zinc/23/44/76/656234476.db2.gz CTRWVIHIQXZNKA-UHFFFAOYSA-N 1 3 251.334 -0.296 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000719192304 656234748 /nfs/dbraw/zinc/23/47/48/656234748.db2.gz NIIBIEYAIZOZND-SNVBAGLBSA-N 1 3 251.334 -0.297 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC(C)(C)[NH+](C)C ZINC000719255112 656234788 /nfs/dbraw/zinc/23/47/88/656234788.db2.gz BAONTCCSLJYBDS-UHFFFAOYSA-N 1 3 253.350 -0.051 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000884787632 656254910 /nfs/dbraw/zinc/25/49/10/656254910.db2.gz XTBDIICQPRWXJC-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)C1 ZINC000884787051 656255158 /nfs/dbraw/zinc/25/51/58/656255158.db2.gz FJDHHAAOQPWVPU-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884787561 656255210 /nfs/dbraw/zinc/25/52/10/656255210.db2.gz VOFXGBJJECVHFP-SRVKXCTJSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897465848 656293873 /nfs/dbraw/zinc/29/38/73/656293873.db2.gz JEIPQRKVTYRTSF-HZSPNIEDSA-N 1 3 296.415 -0.211 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897465848 656293877 /nfs/dbraw/zinc/29/38/77/656293877.db2.gz JEIPQRKVTYRTSF-HZSPNIEDSA-N 1 3 296.415 -0.211 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904972554 656331151 /nfs/dbraw/zinc/33/11/51/656331151.db2.gz LNIFAGJNQNZCQC-SWLSCSKDSA-N 1 3 296.415 -0.264 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905016343 656334413 /nfs/dbraw/zinc/33/44/13/656334413.db2.gz ZLVBZBRQOSUKJX-AWEZNQCLSA-N 1 3 282.388 -0.639 20 0 CBADHO CC[NH+]1CCC(NC[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905028892 656335256 /nfs/dbraw/zinc/33/52/56/656335256.db2.gz WPNLZRJAUKGTFL-UONOGXRCSA-N 1 3 272.389 -0.037 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)C[C@]1(O)CCOC1 ZINC000905108940 656339212 /nfs/dbraw/zinc/33/92/12/656339212.db2.gz AINKDISGBRAHAM-FRRDWIJNSA-N 1 3 260.378 -0.181 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)C1(O)CCCC1)CN1CCCC1 ZINC000905346412 656351207 /nfs/dbraw/zinc/35/12/07/656351207.db2.gz QEZMJVMQCLWXES-OLZOCXBDSA-N 1 3 272.389 -0.301 20 0 CBADHO C[NH+](C)C[C@H](O)CNC[C@@H](O)CC1(CO)CCCC1 ZINC000905345533 656351213 /nfs/dbraw/zinc/35/12/13/656351213.db2.gz NLSQVERHYSUXKD-QWHCGFSZSA-N 1 3 274.405 -0.198 20 0 CBADHO Cn1nnc2c1C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631927 656364481 /nfs/dbraw/zinc/36/44/81/656364481.db2.gz CRCZSMQOOMTXIF-JQWIXIFHSA-N 1 3 279.388 -0.283 20 0 CBADHO Cn1nnc2c1C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631927 656364483 /nfs/dbraw/zinc/36/44/83/656364483.db2.gz CRCZSMQOOMTXIF-JQWIXIFHSA-N 1 3 279.388 -0.283 20 0 CBADHO CN1CCN(C[C@@H](O)C[NH2+]CCN2CCC(C)(C)C2)CC1 ZINC000905678952 656365619 /nfs/dbraw/zinc/36/56/19/656365619.db2.gz NQIJWTOMMNSMLB-HNNXBMFYSA-N 1 3 298.475 -0.084 20 0 CBADHO CC(C)[C@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000996250783 656405248 /nfs/dbraw/zinc/40/52/48/656405248.db2.gz XVHQGEWXAGZKOP-DGCLKSJQSA-N 1 3 298.431 -0.116 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517083 656417940 /nfs/dbraw/zinc/41/79/40/656417940.db2.gz DEFOMPVJKWXMER-NWDGAFQWSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517083 656417951 /nfs/dbraw/zinc/41/79/51/656417951.db2.gz DEFOMPVJKWXMER-NWDGAFQWSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614399 656447726 /nfs/dbraw/zinc/44/77/26/656447726.db2.gz NCBVPEOCHISPKC-QWRGUYRKSA-N 1 3 282.388 -0.750 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614399 656447728 /nfs/dbraw/zinc/44/77/28/656447728.db2.gz NCBVPEOCHISPKC-QWRGUYRKSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679115 656451559 /nfs/dbraw/zinc/45/15/59/656451559.db2.gz PXWQTQWEJCNNHI-ZWNOBZJWSA-N 1 3 296.415 -0.219 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000996712650 656454349 /nfs/dbraw/zinc/45/43/49/656454349.db2.gz RDQVUSAPUZKHSU-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997040292 656464104 /nfs/dbraw/zinc/46/41/04/656464104.db2.gz FPDCBMATIBJXSI-UHFFFAOYSA-N 1 3 265.317 -0.982 20 0 CBADHO CC1CCN(CC(=O)N2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC000997116337 656467672 /nfs/dbraw/zinc/46/76/72/656467672.db2.gz WOVYLSMIAQURLC-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC000997306303 656472530 /nfs/dbraw/zinc/47/25/30/656472530.db2.gz CDXKJIDBAKRUFE-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999350075 656625650 /nfs/dbraw/zinc/62/56/50/656625650.db2.gz WQMRBMZRQSBLJP-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999350077 656626036 /nfs/dbraw/zinc/62/60/36/656626036.db2.gz WQMRBMZRQSBLJP-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+](C)C ZINC000999435332 656629489 /nfs/dbraw/zinc/62/94/89/656629489.db2.gz RRTRBOZRJUZMDK-AAEUAGOBSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+](C)C ZINC000999435340 656629914 /nfs/dbraw/zinc/62/99/14/656629914.db2.gz RRTRBOZRJUZMDK-YPMHNXCESA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)N(C)C ZINC000999488790 656631237 /nfs/dbraw/zinc/63/12/37/656631237.db2.gz HFPKIEYKGWMCDI-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCO)C1 ZINC000999832780 656655590 /nfs/dbraw/zinc/65/55/90/656655590.db2.gz IIDVMCYNKKHNQL-UHFFFAOYSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001000020858 656680040 /nfs/dbraw/zinc/68/00/40/656680040.db2.gz QREWMDMEJYTBSJ-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001000020858 656680048 /nfs/dbraw/zinc/68/00/48/656680048.db2.gz QREWMDMEJYTBSJ-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000198845 656703495 /nfs/dbraw/zinc/70/34/95/656703495.db2.gz LMPNWRUUTBKYSX-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000531040 656732002 /nfs/dbraw/zinc/73/20/02/656732002.db2.gz JOHFAMSTCBJVDA-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001001007441 656785106 /nfs/dbraw/zinc/78/51/06/656785106.db2.gz KMYIJFGCAWWGRX-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001151135 656801040 /nfs/dbraw/zinc/80/10/40/656801040.db2.gz LCWZJFCRQMWWHM-OCCSQVGLSA-N 1 3 281.400 -0.075 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001151135 656801041 /nfs/dbraw/zinc/80/10/41/656801041.db2.gz LCWZJFCRQMWWHM-OCCSQVGLSA-N 1 3 281.400 -0.075 20 0 CBADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627993 656865716 /nfs/dbraw/zinc/86/57/16/656865716.db2.gz LIDCSXSNWUBWOL-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911163805 656968303 /nfs/dbraw/zinc/96/83/03/656968303.db2.gz ZIRAQWUJYJIDRL-JOCQHMNTSA-N 1 3 296.415 -0.312 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000911282456 657010107 /nfs/dbraw/zinc/01/01/07/657010107.db2.gz QUUIYEXJDDNYHI-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911298357 657014013 /nfs/dbraw/zinc/01/40/13/657014013.db2.gz QGXKYWDBVHITED-UHFFFAOYSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911331972 657021179 /nfs/dbraw/zinc/02/11/79/657021179.db2.gz MEZWHOQZRPSEED-LBPRGKRZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911331971 657021375 /nfs/dbraw/zinc/02/13/75/657021375.db2.gz MEZWHOQZRPSEED-GFCCVEGCSA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911338122 657023304 /nfs/dbraw/zinc/02/33/04/657023304.db2.gz YEJIBDFDMGGFTG-AGIUHOORSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911339694 657024010 /nfs/dbraw/zinc/02/40/10/657024010.db2.gz WUIXMBDTEVZOJT-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000911375169 657031016 /nfs/dbraw/zinc/03/10/16/657031016.db2.gz QSLQHRATDZTGRS-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000911381306 657033346 /nfs/dbraw/zinc/03/33/46/657033346.db2.gz XYLNKCZHSXMAGM-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000911383805 657034425 /nfs/dbraw/zinc/03/44/25/657034425.db2.gz UKYNGLSMXFGOJM-NEPJUHHUSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486280 657054586 /nfs/dbraw/zinc/05/45/86/657054586.db2.gz ADCAEVOVRBDHSP-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488396 657055633 /nfs/dbraw/zinc/05/56/33/657055633.db2.gz YRCQYHWFYGUEHG-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911519824 657064918 /nfs/dbraw/zinc/06/49/18/657064918.db2.gz KZQILDLRMMSUSX-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911531547 657068297 /nfs/dbraw/zinc/06/82/97/657068297.db2.gz HUROCAVSLOIYDZ-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000911531476 657068325 /nfs/dbraw/zinc/06/83/25/657068325.db2.gz HIMRNVWBDCACEM-LBPRGKRZSA-N 1 3 296.415 -0.358 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911534622 657069398 /nfs/dbraw/zinc/06/93/98/657069398.db2.gz VPNHPXBXPNVRGX-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911533188 657069648 /nfs/dbraw/zinc/06/96/48/657069648.db2.gz NUKIQRYVVKZMQC-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911533067 657070372 /nfs/dbraw/zinc/07/03/72/657070372.db2.gz NBNVOIXIYJQXLV-HAQNSBGRSA-N 1 3 296.415 -0.312 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911540898 657073717 /nfs/dbraw/zinc/07/37/17/657073717.db2.gz BHQXFIPIWGIZPQ-CYZMBNFOSA-N 1 3 294.399 -0.452 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000911547683 657074941 /nfs/dbraw/zinc/07/49/41/657074941.db2.gz YYICXWMYCFPBKY-LBPRGKRZSA-N 1 3 294.399 -0.339 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911564174 657080358 /nfs/dbraw/zinc/08/03/58/657080358.db2.gz XBIGSIUGKPEKSB-JOCQHMNTSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911633292 657090808 /nfs/dbraw/zinc/09/08/08/657090808.db2.gz GOARKKSTLZKYQS-NWDGAFQWSA-N 1 3 254.378 -0.652 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CNCCN1C ZINC000911870776 657150836 /nfs/dbraw/zinc/15/08/36/657150836.db2.gz OUORNGLNSGYQQL-VXGBXAGGSA-N 1 3 256.394 -0.278 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000911753801 657123082 /nfs/dbraw/zinc/12/30/82/657123082.db2.gz QRBDVKPXKXDHTJ-CMPLNLGQSA-N 1 3 254.378 -0.524 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911827375 657141941 /nfs/dbraw/zinc/14/19/41/657141941.db2.gz WZGZASGSXSIFQI-SRVKXCTJSA-N 1 3 254.378 -0.524 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842479 657144218 /nfs/dbraw/zinc/14/42/18/657144218.db2.gz XVVNIMOTYIXFEL-AWEZNQCLSA-N 1 3 280.416 -0.119 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000911861027 657149097 /nfs/dbraw/zinc/14/90/97/657149097.db2.gz AWOAQDBWGHTGOF-CYBMUJFWSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCCCN1C ZINC000912607427 657296624 /nfs/dbraw/zinc/29/66/24/657296624.db2.gz UTRPXKXWTCYPQX-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCCN1C ZINC000912607427 657296634 /nfs/dbraw/zinc/29/66/34/657296634.db2.gz UTRPXKXWTCYPQX-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN(C)CCO)[NH+](C)C ZINC000912606677 657295761 /nfs/dbraw/zinc/29/57/61/657295761.db2.gz JXTCEAYWJSABIN-LBPRGKRZSA-N 1 3 259.394 -0.045 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)CC[N@@H+]1C ZINC001014481994 657363293 /nfs/dbraw/zinc/36/32/93/657363293.db2.gz BUPYXFCVFGEMLS-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)CC[N@H+]1C ZINC001014481994 657363297 /nfs/dbraw/zinc/36/32/97/657363297.db2.gz BUPYXFCVFGEMLS-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@@H+]1CCC[C@](O)(CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000913351628 657444517 /nfs/dbraw/zinc/44/45/17/657444517.db2.gz JHGUZFLGPWLRST-JSGCOSHPSA-N 1 3 285.388 -0.984 20 0 CBADHO C[N@H+]1CCC[C@](O)(CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000913351628 657444522 /nfs/dbraw/zinc/44/45/22/657444522.db2.gz JHGUZFLGPWLRST-JSGCOSHPSA-N 1 3 285.388 -0.984 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001015997457 657626998 /nfs/dbraw/zinc/62/69/98/657626998.db2.gz CNJRUUVFOWUZJA-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001015997457 657627008 /nfs/dbraw/zinc/62/70/08/657627008.db2.gz CNJRUUVFOWUZJA-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001015997667 657628633 /nfs/dbraw/zinc/62/86/33/657628633.db2.gz FRXVQVASELTKPX-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001015997667 657628639 /nfs/dbraw/zinc/62/86/39/657628639.db2.gz FRXVQVASELTKPX-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@H](O)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004496 657631797 /nfs/dbraw/zinc/63/17/97/657631797.db2.gz XYOLBWXPZXXQMH-NWDGAFQWSA-N 1 3 267.373 -0.347 20 0 CBADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(CCn2cncn2)C1 ZINC001016252814 657671960 /nfs/dbraw/zinc/67/19/60/657671960.db2.gz VCBMDTXDDAXLQU-ZDUSSCGKSA-N 1 3 292.387 -0.436 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000916332811 657771677 /nfs/dbraw/zinc/77/16/77/657771677.db2.gz ZKIGGXVOFBWXDG-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000916332811 657771688 /nfs/dbraw/zinc/77/16/88/657771688.db2.gz ZKIGGXVOFBWXDG-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001019035033 657858565 /nfs/dbraw/zinc/85/85/65/657858565.db2.gz WQWICSMGCJRAEF-SDDRHHMPSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019326098 657886015 /nfs/dbraw/zinc/88/60/15/657886015.db2.gz AUOXGHLPIXUNSP-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019380651 657891624 /nfs/dbraw/zinc/89/16/24/657891624.db2.gz IEAUDZSGOPOCLK-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019380651 657891627 /nfs/dbraw/zinc/89/16/27/657891627.db2.gz IEAUDZSGOPOCLK-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001019397183 657892696 /nfs/dbraw/zinc/89/26/96/657892696.db2.gz NCVNEOCIKBBMTI-XQQFMLRXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001019394628 657893250 /nfs/dbraw/zinc/89/32/50/657893250.db2.gz LANRRYMPFWGQQT-VWYCJHECSA-N 1 3 270.377 -0.609 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001019394308 657893356 /nfs/dbraw/zinc/89/33/56/657893356.db2.gz FANLVGJIIJWUMC-XQQFMLRXSA-N 1 3 296.415 -0.252 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001019469912 657897642 /nfs/dbraw/zinc/89/76/42/657897642.db2.gz UJMFUKSRKFBVOG-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019469930 657897854 /nfs/dbraw/zinc/89/78/54/657897854.db2.gz VHBVBNVCBNHJPR-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019771542 657938871 /nfs/dbraw/zinc/93/88/71/657938871.db2.gz RMZVBROKJHZKBX-STQMWFEESA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019771542 657938884 /nfs/dbraw/zinc/93/88/84/657938884.db2.gz RMZVBROKJHZKBX-STQMWFEESA-N 1 3 294.399 -0.639 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019775868 657939101 /nfs/dbraw/zinc/93/91/01/657939101.db2.gz KGUJPRSLKANTEQ-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO Cn1nncc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001020026172 657985831 /nfs/dbraw/zinc/98/58/31/657985831.db2.gz JOBLXINGKZYVOS-GVXVVHGQSA-N 1 3 292.387 -0.354 20 0 CBADHO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406921 658047660 /nfs/dbraw/zinc/04/76/60/658047660.db2.gz GDCAPIOKBXUHBX-XWRJPITESA-N 1 3 295.383 -0.921 20 0 CBADHO O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406922 658048069 /nfs/dbraw/zinc/04/80/69/658048069.db2.gz GDCAPIOKBXUHBX-YGFYLSKRSA-N 1 3 295.383 -0.921 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)C(N)=O ZINC001020587858 658076238 /nfs/dbraw/zinc/07/62/38/658076238.db2.gz XIXZKVLBCXZPQZ-ZDEQEGDKSA-N 1 3 296.415 -0.029 20 0 CBADHO CC(C)[C@@](C)(C[NH3+])NCCN1C(=O)CN(C)C1=O ZINC000923296161 658195542 /nfs/dbraw/zinc/19/55/42/658195542.db2.gz ODVPWXQHWMBZEI-GFCCVEGCSA-N 1 3 256.350 -0.157 20 0 CBADHO COCCN(CCOC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299943 658200109 /nfs/dbraw/zinc/20/01/09/658200109.db2.gz JXFJOAOBAHBOPZ-LBPRGKRZSA-N 1 3 258.362 -0.040 20 0 CBADHO O=C1NCCN1[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309161 658204193 /nfs/dbraw/zinc/20/41/93/658204193.db2.gz SUNWDJRPLNLFCJ-QWHCGFSZSA-N 1 3 294.399 -0.146 20 0 CBADHO Cn1nc(C(F)(F)F)cc1CNC(CN)C[NH3+] ZINC000923356365 658228803 /nfs/dbraw/zinc/22/88/03/658228803.db2.gz MCWQVRRZNVUDHT-UHFFFAOYSA-N 1 3 251.256 -0.186 20 0 CBADHO Cc1cc(C)cc(OC[C@H](O)CNC(CN)C[NH3+])c1 ZINC000923356913 658230598 /nfs/dbraw/zinc/23/05/98/658230598.db2.gz QPEQXBFDHOAELX-CYBMUJFWSA-N 1 3 267.373 -0.081 20 0 CBADHO CC(=O)N[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386235 658249975 /nfs/dbraw/zinc/24/99/75/658249975.db2.gz LQBZEYJJHHFNBD-VXGBXAGGSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413866 658268371 /nfs/dbraw/zinc/26/83/71/658268371.db2.gz JBWFIVRWCSVRIR-YTWAJWBKSA-N 1 3 255.318 -0.766 20 0 CBADHO COC(=O)N[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923428970 658274618 /nfs/dbraw/zinc/27/46/18/658274618.db2.gz UXPNXABLDZEFEL-WDEREUQCSA-N 1 3 269.345 -0.205 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923503461 658310298 /nfs/dbraw/zinc/31/02/98/658310298.db2.gz IUWCJDSCKHZBIO-GXTWGEPZSA-N 1 3 296.415 -0.406 20 0 CBADHO O[C@@H](Cn1cccn1)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516533 658313350 /nfs/dbraw/zinc/31/33/50/658313350.db2.gz JDGXOEWZVVAKPY-YNEHKIRRSA-N 1 3 250.346 -0.215 20 0 CBADHO CCC(CC)(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923569583 658330818 /nfs/dbraw/zinc/33/08/18/658330818.db2.gz PLKVPTPODYWKOT-UHFFFAOYSA-N 1 3 264.395 -0.757 20 0 CBADHO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNCC1 ZINC000923568160 658332776 /nfs/dbraw/zinc/33/27/76/658332776.db2.gz YWSWHIFXUOKHRR-ZACCUICWSA-N 1 3 274.390 -0.991 20 0 CBADHO CCCN(C1CC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923575395 658336259 /nfs/dbraw/zinc/33/62/59/658336259.db2.gz CMCVFGGITZAXFJ-UHFFFAOYSA-N 1 3 261.391 -0.248 20 0 CBADHO C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@@H]1C[NH3+] ZINC000923573803 658336660 /nfs/dbraw/zinc/33/66/60/658336660.db2.gz RQTXLLUIDGXRJS-WDEREUQCSA-N 1 3 276.406 -0.804 20 0 CBADHO CC[NH2+]CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923573434 658337185 /nfs/dbraw/zinc/33/71/85/658337185.db2.gz NAWPYDKSPVWJAF-UHFFFAOYSA-N 1 3 290.433 -0.542 20 0 CBADHO CN(C)C[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923612121 658352001 /nfs/dbraw/zinc/35/20/01/658352001.db2.gz MQTPHOCWXJTGEN-RYUDHWBXSA-N 1 3 291.417 -0.669 20 0 CBADHO C[C@H](NS(=O)(=O)N1CCNCC1)C(C)(C)C[NH+](C)C ZINC000923625491 658360626 /nfs/dbraw/zinc/36/06/26/658360626.db2.gz PKYBQMCQQQBKCH-NSHDSACASA-N 1 3 292.449 -0.298 20 0 CBADHO C[C@@H](NS(=O)(=O)N1CCNCC1)C(C)(C)C[NH+](C)C ZINC000923625490 658362143 /nfs/dbraw/zinc/36/21/43/658362143.db2.gz PKYBQMCQQQBKCH-LLVKDONJSA-N 1 3 292.449 -0.298 20 0 CBADHO C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923647575 658374443 /nfs/dbraw/zinc/37/44/43/658374443.db2.gz NDDBNTQEPNFLOG-GHMZBOCLSA-N 1 3 276.406 -0.947 20 0 CBADHO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)N1CCNCC1 ZINC000923659148 658383463 /nfs/dbraw/zinc/38/34/63/658383463.db2.gz GERYQQZNWRAUSS-SNVBAGLBSA-N 1 3 274.390 -0.989 20 0 CBADHO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CNC1 ZINC000923672058 658391251 /nfs/dbraw/zinc/39/12/51/658391251.db2.gz AKZMKGTYQWGABU-SNVBAGLBSA-N 1 3 289.401 -0.964 20 0 CBADHO CN(CCCCCC[NH3+])S(=O)(=O)N1CCNCC1 ZINC000923670420 658391394 /nfs/dbraw/zinc/39/13/94/658391394.db2.gz DJTFWPUYKUYTQJ-UHFFFAOYSA-N 1 3 278.422 -0.413 20 0 CBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1C(F)(F)F ZINC000923670167 658391473 /nfs/dbraw/zinc/39/14/73/658391473.db2.gz IHMOJSNCSUMUAM-HTRCEHHLSA-N 1 3 287.307 -0.643 20 0 CBADHO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CNC1 ZINC000923672056 658392040 /nfs/dbraw/zinc/39/20/40/658392040.db2.gz AKZMKGTYQWGABU-JTQLQIEISA-N 1 3 289.401 -0.964 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)C2CNC2)CCN1c1cc[nH+]cc1 ZINC000923671573 658393152 /nfs/dbraw/zinc/39/31/52/658393152.db2.gz MGEUUGFEAYVKQB-LLVKDONJSA-N 1 3 296.396 -0.106 20 0 CBADHO [NH3+]C[C@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1C(F)(F)F ZINC000923670171 658393328 /nfs/dbraw/zinc/39/33/28/658393328.db2.gz IHMOJSNCSUMUAM-POYBYMJQSA-N 1 3 287.307 -0.643 20 0 CBADHO O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214926 658590158 /nfs/dbraw/zinc/59/01/58/658590158.db2.gz OSSVGURRCJMOGM-CHWSQXEVSA-N 1 3 297.399 -0.984 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000924592499 658614183 /nfs/dbraw/zinc/61/41/83/658614183.db2.gz RSCHYGDMOZDKED-NEPJUHHUSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000924592499 658614195 /nfs/dbraw/zinc/61/41/95/658614195.db2.gz RSCHYGDMOZDKED-NEPJUHHUSA-N 1 3 280.372 -0.047 20 0 CBADHO C[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582189 658615379 /nfs/dbraw/zinc/61/53/79/658615379.db2.gz JBUVLFYQRNHPEN-ONGXEEELSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582189 658615391 /nfs/dbraw/zinc/61/53/91/658615391.db2.gz JBUVLFYQRNHPEN-ONGXEEELSA-N 1 3 268.361 -0.049 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000924973936 658678187 /nfs/dbraw/zinc/67/81/87/658678187.db2.gz YYFHTIUOYGIIQM-OUAUKWLOSA-N 1 3 268.361 -0.191 20 0 CBADHO CN1C[C@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990501 658712843 /nfs/dbraw/zinc/71/28/43/658712843.db2.gz GVTKARSVFGUOBK-SCRDCRAPSA-N 1 3 285.388 -0.986 20 0 CBADHO CN1C[C@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990501 658712860 /nfs/dbraw/zinc/71/28/60/658712860.db2.gz GVTKARSVFGUOBK-SCRDCRAPSA-N 1 3 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C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN1CCCC1 ZINC000989798843 659614716 /nfs/dbraw/zinc/61/47/16/659614716.db2.gz GQBCWFTWVQGIDY-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC000990278439 659711820 /nfs/dbraw/zinc/71/18/20/659711820.db2.gz SFKBNHMEISGYNF-STQMWFEESA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC000990278437 659711852 /nfs/dbraw/zinc/71/18/52/659711852.db2.gz SFKBNHMEISGYNF-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(N)=O ZINC000939256400 659884966 /nfs/dbraw/zinc/88/49/66/659884966.db2.gz BYXDXQXBYDIXJU-DGCLKSJQSA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000132994946 790389295 /nfs/dbraw/zinc/38/92/95/790389295.db2.gz URTUDPXVMDARGZ-NSHDSACASA-N 1 3 258.366 -0.696 20 0 CBADHO [NH3+]C[C@H]1CCCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000382181655 790524621 /nfs/dbraw/zinc/52/46/21/790524621.db2.gz 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C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001022714527 791042379 /nfs/dbraw/zinc/04/23/79/791042379.db2.gz WFBQWJIXQBHJQS-KXNHARMFSA-N 1 3 282.388 -0.561 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)C(N)=O ZINC001022712674 791040805 /nfs/dbraw/zinc/04/08/05/791040805.db2.gz XIXZKVLBCXZPQZ-FVCCEPFGSA-N 1 3 296.415 -0.029 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022715975 791041973 /nfs/dbraw/zinc/04/19/73/791041973.db2.gz OZQFXYJTPGIYSB-QNWHQSFQSA-N 1 3 269.389 -0.054 20 0 CBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022716851 791042277 /nfs/dbraw/zinc/04/22/77/791042277.db2.gz KGAPJKMELSVMTL-PHIMTYICSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001078006189 805821888 /nfs/dbraw/zinc/82/18/88/805821888.db2.gz VINQNQMYVNGBEV-BFHYXJOUSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001078006189 805821896 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CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001082589176 806186838 /nfs/dbraw/zinc/18/68/38/806186838.db2.gz MKQXAFWKTPHYJL-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H](O)CN1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275785 806245837 /nfs/dbraw/zinc/24/58/37/806245837.db2.gz WUSCUNOUZWKIQR-MELADBBJSA-N 1 3 297.399 -0.625 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085421895 806555529 /nfs/dbraw/zinc/55/55/29/806555529.db2.gz AMJPHHBUQJOSJX-QJPTWQEYSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085421895 806555534 /nfs/dbraw/zinc/55/55/34/806555534.db2.gz AMJPHHBUQJOSJX-QJPTWQEYSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085421894 806555897 /nfs/dbraw/zinc/55/58/97/806555897.db2.gz AMJPHHBUQJOSJX-IJLUTSLNSA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085421894 806555901 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/nfs/dbraw/zinc/12/30/42/799123042.db2.gz BATJQNGOLJGEMI-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001028318636 799123044 /nfs/dbraw/zinc/12/30/44/799123044.db2.gz BATJQNGOLJGEMI-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186027 799590215 /nfs/dbraw/zinc/59/02/15/799590215.db2.gz GLQXCKKAIBONRT-PWSUYJOCSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186027 799590221 /nfs/dbraw/zinc/59/02/21/799590221.db2.gz GLQXCKKAIBONRT-PWSUYJOCSA-N 1 3 255.362 -0.633 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001032185830 799591087 /nfs/dbraw/zinc/59/10/87/799591087.db2.gz CWHYALKDGPPXBG-GFCCVEGCSA-N 1 3 255.362 -0.632 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001032185830 799591088 /nfs/dbraw/zinc/59/10/88/799591088.db2.gz CWHYALKDGPPXBG-GFCCVEGCSA-N 1 3 255.362 -0.632 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001033091929 799714960 /nfs/dbraw/zinc/71/49/60/799714960.db2.gz OBYCQPLZPDZEIA-JHJVBQTASA-N 1 3 269.389 -0.148 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001033091929 799714969 /nfs/dbraw/zinc/71/49/69/799714969.db2.gz OBYCQPLZPDZEIA-JHJVBQTASA-N 1 3 269.389 -0.148 20 0 CBADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCO)C1 ZINC001033083115 799715081 /nfs/dbraw/zinc/71/50/81/799715081.db2.gz VUAOCKAVBKKHAM-KBPBESRZSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCO)C1 ZINC001033083122 799715435 /nfs/dbraw/zinc/71/54/35/799715435.db2.gz VUAOCKAVBKKHAM-UONOGXRCSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001033663175 799778912 /nfs/dbraw/zinc/77/89/12/799778912.db2.gz UNGUNFMIBJSGNH-RYUDHWBXSA-N 1 3 255.362 -0.537 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001033663175 799778916 /nfs/dbraw/zinc/77/89/16/799778916.db2.gz UNGUNFMIBJSGNH-RYUDHWBXSA-N 1 3 255.362 -0.537 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035014636 799863865 /nfs/dbraw/zinc/86/38/65/799863865.db2.gz ZQPYBAWJKMSZHF-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001035052898 799867145 /nfs/dbraw/zinc/86/71/45/799867145.db2.gz XVPLHOFMRATVDP-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036064046 799976470 /nfs/dbraw/zinc/97/64/70/799976470.db2.gz LJSZPKQVCSSBLB-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001038628112 801230779 /nfs/dbraw/zinc/23/07/79/801230779.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001038628112 801230782 /nfs/dbraw/zinc/23/07/82/801230782.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CCCO)C1 ZINC001038628112 801230788 /nfs/dbraw/zinc/23/07/88/801230788.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CCCO)C1 ZINC001038628112 801230792 /nfs/dbraw/zinc/23/07/92/801230792.db2.gz NDPJRFBTIHLCPY-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863947 801976449 /nfs/dbraw/zinc/97/64/49/801976449.db2.gz QOWVOZKDGOLDLC-HZSPNIEDSA-N 1 3 281.400 -0.291 20 0 CBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863947 801976453 /nfs/dbraw/zinc/97/64/53/801976453.db2.gz QOWVOZKDGOLDLC-HZSPNIEDSA-N 1 3 281.400 -0.291 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049056933 801995653 /nfs/dbraw/zinc/99/56/53/801995653.db2.gz DSHBFEJSSZRWOE-MCIONIFRSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049056933 801995659 /nfs/dbraw/zinc/99/56/59/801995659.db2.gz DSHBFEJSSZRWOE-MCIONIFRSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCO ZINC001054734980 802366225 /nfs/dbraw/zinc/36/62/25/802366225.db2.gz HCUNUUWSUACATA-RYUDHWBXSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCO ZINC001054734977 802367001 /nfs/dbraw/zinc/36/70/01/802367001.db2.gz HCUNUUWSUACATA-NWDGAFQWSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCO ZINC001054734150 802367176 /nfs/dbraw/zinc/36/71/76/802367176.db2.gz ASXOYZMGWGZGOJ-YPMHNXCESA-N 1 3 269.389 -0.101 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121928590 813091720 /nfs/dbraw/zinc/09/17/20/813091720.db2.gz RCNXKVRMYWIMAZ-UONOGXRCSA-N 1 3 297.447 -0.968 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001122367752 813154655 /nfs/dbraw/zinc/15/46/55/813154655.db2.gz BUKDQBBXEHKADQ-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001129356203 813837874 /nfs/dbraw/zinc/83/78/74/813837874.db2.gz DIUHCEAYPSEGOO-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291675 814237480 /nfs/dbraw/zinc/23/74/80/814237480.db2.gz VUIMBSLLVWIWMG-GFCCVEGCSA-N 1 3 286.420 -0.195 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294341 814237595 /nfs/dbraw/zinc/23/75/95/814237595.db2.gz DLSDUQJRKGTJPE-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294394 814238022 /nfs/dbraw/zinc/23/80/22/814238022.db2.gz HFJDZBCJYOFHQZ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133345366 814246100 /nfs/dbraw/zinc/24/61/00/814246100.db2.gz BFMAEMXEOUSFCU-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N(C)C)C1 ZINC001133845429 814305379 /nfs/dbraw/zinc/30/53/79/814305379.db2.gz FSCXKZSTQHXWON-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N(C)C)C1 ZINC001133845429 814305388 /nfs/dbraw/zinc/30/53/88/814305388.db2.gz FSCXKZSTQHXWON-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])C(=O)CCN1CCCCC1 ZINC001142916756 814740447 /nfs/dbraw/zinc/74/04/47/814740447.db2.gz WEJWKEFFHXJOPI-UHFFFAOYSA-N 1 3 277.390 -0.391 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CCC(N)=O ZINC001142961583 814746486 /nfs/dbraw/zinc/74/64/86/814746486.db2.gz RMNQEWKVJYQWLX-UHFFFAOYSA-N 1 3 257.338 -0.684 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365214 814941414 /nfs/dbraw/zinc/94/14/14/814941414.db2.gz LEJVBRGDUKZBJT-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(N)=O ZINC001148573588 814950604 /nfs/dbraw/zinc/95/06/04/814950604.db2.gz VUQSSUREPTVUPF-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(N)=O ZINC001148573588 814950607 /nfs/dbraw/zinc/95/06/07/814950607.db2.gz VUQSSUREPTVUPF-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)CC ZINC001148571042 814951725 /nfs/dbraw/zinc/95/17/25/814951725.db2.gz SYMJZPLGMFBGON-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)CC ZINC001148571042 814951729 /nfs/dbraw/zinc/95/17/29/814951729.db2.gz SYMJZPLGMFBGON-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001148656317 814956678 /nfs/dbraw/zinc/95/66/78/814956678.db2.gz ZAHCHTGEJFGGMP-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001322568076 803911066 /nfs/dbraw/zinc/91/10/66/803911066.db2.gz DIWUDCDLLUIWCE-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO NC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461302 815624841 /nfs/dbraw/zinc/62/48/41/815624841.db2.gz MSXMBGURSVGLOO-NEPJUHHUSA-N 1 3 254.378 -0.251 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)C1=CNN2C=CNC=C12 ZINC001149461423 814994303 /nfs/dbraw/zinc/99/43/03/814994303.db2.gz ZSIJVSWKZKOQRT-UHFFFAOYSA-N 1 3 277.332 -0.933 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC001325386474 804283357 /nfs/dbraw/zinc/28/33/57/804283357.db2.gz QEVVZLUXULDMJZ-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049035 815052093 /nfs/dbraw/zinc/05/20/93/815052093.db2.gz HVGQUMNFQQEQDF-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049035 815052099 /nfs/dbraw/zinc/05/20/99/815052099.db2.gz HVGQUMNFQQEQDF-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048585 815052151 /nfs/dbraw/zinc/05/21/51/815052151.db2.gz CBZQQIIIUOCYMD-NSHDSACASA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048585 815052156 /nfs/dbraw/zinc/05/21/56/815052156.db2.gz CBZQQIIIUOCYMD-NSHDSACASA-N 1 3 270.377 -0.832 20 0 CBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049039 815053330 /nfs/dbraw/zinc/05/33/30/815053330.db2.gz IDUYWYZJUGJHKV-GFCCVEGCSA-N 1 3 279.388 -0.114 20 0 CBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049039 815053337 /nfs/dbraw/zinc/05/33/37/815053337.db2.gz IDUYWYZJUGJHKV-GFCCVEGCSA-N 1 3 279.388 -0.114 20 0 CBADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064647 815053929 /nfs/dbraw/zinc/05/39/29/815053929.db2.gz CNYZYWSBIWBBSZ-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064647 815053934 /nfs/dbraw/zinc/05/39/34/815053934.db2.gz CNYZYWSBIWBBSZ-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151055992 815055249 /nfs/dbraw/zinc/05/52/49/815055249.db2.gz JTBPRGYJUWFOCC-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151055992 815055256 /nfs/dbraw/zinc/05/52/56/815055256.db2.gz JTBPRGYJUWFOCC-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065646 815056172 /nfs/dbraw/zinc/05/61/72/815056172.db2.gz LUVMBIZMXCWEGO-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065646 815056179 /nfs/dbraw/zinc/05/61/79/815056179.db2.gz LUVMBIZMXCWEGO-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)C1CC1 ZINC001072814394 805337516 /nfs/dbraw/zinc/33/75/16/805337516.db2.gz CHVOBAAYFDWTRX-CYBMUJFWSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C1CC1 ZINC001072814394 805337525 /nfs/dbraw/zinc/33/75/25/805337525.db2.gz CHVOBAAYFDWTRX-CYBMUJFWSA-N 1 3 281.400 -0.147 20 0 CBADHO O=C(CCC[NH+]1CCCCC1)NCCN[C@@H]1CCNC1=O ZINC001151361981 815072863 /nfs/dbraw/zinc/07/28/63/815072863.db2.gz RJAQCBUHJJXRHV-CYBMUJFWSA-N 1 3 296.415 -0.153 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C)N(C)C ZINC001074709716 805467145 /nfs/dbraw/zinc/46/71/45/805467145.db2.gz NTRRVHAYRXLFEL-NOOOWODRSA-N 1 3 284.404 -0.221 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C)N(C)C ZINC001074885647 805476111 /nfs/dbraw/zinc/47/61/11/805476111.db2.gz PYGWHATYDVANFW-RVMXOQNASA-N 1 3 296.415 -0.206 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C)N(C)C ZINC001074885386 805476704 /nfs/dbraw/zinc/47/67/04/805476704.db2.gz APBRCDOTAUMKGN-SRVKXCTJSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(N)=O ZINC001075108763 805483424 /nfs/dbraw/zinc/48/34/24/805483424.db2.gz KIHIJZKRNQUYDX-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001152138104 815106725 /nfs/dbraw/zinc/10/67/25/815106725.db2.gz RMNBJYHDOCSUDH-BETUJISGSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001152138104 815106727 /nfs/dbraw/zinc/10/67/27/815106727.db2.gz RMNBJYHDOCSUDH-BETUJISGSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152138136 815107033 /nfs/dbraw/zinc/10/70/33/815107033.db2.gz SGJUTCVHSLKHDP-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340034 815117201 /nfs/dbraw/zinc/11/72/01/815117201.db2.gz FDUDPWRSNGFBGG-UHFFFAOYSA-N 1 3 256.350 -0.947 20 0 CBADHO C[C@H](NCCNC(=O)c1ccccc1C[NH+](C)C)C(N)=O ZINC001152384648 815119346 /nfs/dbraw/zinc/11/93/46/815119346.db2.gz VVXWOWDAKNAZQE-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001152427377 815120827 /nfs/dbraw/zinc/12/08/27/815120827.db2.gz YDWRTMCTIYYKLU-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001152452046 815122419 /nfs/dbraw/zinc/12/24/19/815122419.db2.gz QUZQOYLQATYMJR-OLZOCXBDSA-N 1 3 287.404 -0.426 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001152452048 815122836 /nfs/dbraw/zinc/12/28/36/815122836.db2.gz QUZQOYLQATYMJR-STQMWFEESA-N 1 3 287.404 -0.426 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152458759 815124566 /nfs/dbraw/zinc/12/45/66/815124566.db2.gz SNXKCTGYWKPUFM-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc2ncnn21 ZINC001152891660 815140420 /nfs/dbraw/zinc/14/04/20/815140420.db2.gz QXVNNFINXACISO-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO C[C@@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001153299909 815157078 /nfs/dbraw/zinc/15/70/78/815157078.db2.gz FNYSPJNOUUQBAE-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001160580765 815641084 /nfs/dbraw/zinc/64/10/84/815641084.db2.gz AKIUWYVZFHRMPX-WDEREUQCSA-N 1 3 271.361 -0.003 20 0 CBADHO Cn1nc2c(c1C(=O)N(CCCC[NH3+])C(=N)N)CCC2 ZINC001154842225 815244705 /nfs/dbraw/zinc/24/47/05/815244705.db2.gz UCOKJSVULJQQTM-UHFFFAOYSA-N 1 3 278.360 -0.017 20 0 CBADHO COC(=O)[C@H](N)C1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001155153328 815266906 /nfs/dbraw/zinc/26/69/06/815266906.db2.gz PQLIRJPMLUCAHZ-GFCCVEGCSA-N 1 3 291.355 -0.204 20 0 CBADHO c1nc(N[C@H]2COCCC23C[NH2+]C3)nc2c1CNCC2 ZINC001155462724 815285754 /nfs/dbraw/zinc/28/57/54/815285754.db2.gz SNOFROZCHMJDBE-LBPRGKRZSA-N 1 3 275.356 -0.087 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc2nncn21 ZINC001156070921 815336944 /nfs/dbraw/zinc/33/69/44/815336944.db2.gz XWSJIEJLTMFPDY-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO COC(=O)C1(Nc2cc3c(nn2)CCNC3)CC[NH2+]CC1 ZINC001156535945 815364277 /nfs/dbraw/zinc/36/42/77/815364277.db2.gz LSOUXXLXORWFPE-UHFFFAOYSA-N 1 3 291.355 -0.171 20 0 CBADHO O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731122 810560316 /nfs/dbraw/zinc/56/03/16/810560316.db2.gz PQWLWTMOTVIYOB-CHWSQXEVSA-N 1 3 297.399 -0.984 20 0 CBADHO NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001095007286 810736971 /nfs/dbraw/zinc/73/69/71/810736971.db2.gz LXRSBDRYKTVIHY-NHCYSSNCSA-N 1 3 291.355 -0.593 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098450592 810846037 /nfs/dbraw/zinc/84/60/37/810846037.db2.gz CCWYBIBJSXUYCA-CQSZACIVSA-N 1 3 299.415 -0.642 20 0 CBADHO N=C(NCCCC[NH3+])Nc1ncccc1C(N)=O ZINC001157093494 815403675 /nfs/dbraw/zinc/40/36/75/815403675.db2.gz CQUQNYUZOJNXMV-UHFFFAOYSA-N 1 3 250.306 -0.144 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874186 810960341 /nfs/dbraw/zinc/96/03/41/810960341.db2.gz HIJMWXJTNWCECQ-QWHCGFSZSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874186 810960344 /nfs/dbraw/zinc/96/03/44/810960344.db2.gz HIJMWXJTNWCECQ-QWHCGFSZSA-N 1 3 299.415 -0.596 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001099971413 810980512 /nfs/dbraw/zinc/98/05/12/810980512.db2.gz HJXKKYGRLFSAHD-QWHCGFSZSA-N 1 3 299.415 -0.738 20 0 CBADHO CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973341 810981239 /nfs/dbraw/zinc/98/12/39/810981239.db2.gz BIYJNKXTLONVPX-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001099986547 810985518 /nfs/dbraw/zinc/98/55/18/810985518.db2.gz MIASNROBTANLOA-VXGBXAGGSA-N 1 3 275.368 -0.151 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CC)C[C@H]1O ZINC001100041770 811001764 /nfs/dbraw/zinc/00/17/64/811001764.db2.gz NZAGXPXCCKCXSV-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100041770 811001768 /nfs/dbraw/zinc/00/17/68/811001768.db2.gz NZAGXPXCCKCXSV-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100042117 811005133 /nfs/dbraw/zinc/00/51/33/811005133.db2.gz UBATWEDIAYTSGO-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100042117 811005139 /nfs/dbraw/zinc/00/51/39/811005139.db2.gz UBATWEDIAYTSGO-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100080958 811016027 /nfs/dbraw/zinc/01/60/27/811016027.db2.gz OEQZRSULCYZNJU-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100080958 811016038 /nfs/dbraw/zinc/01/60/38/811016038.db2.gz OEQZRSULCYZNJU-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100080956 811017878 /nfs/dbraw/zinc/01/78/78/811017878.db2.gz OEQZRSULCYZNJU-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100080956 811017886 /nfs/dbraw/zinc/01/78/86/811017886.db2.gz OEQZRSULCYZNJU-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCO)C1)C1CC1 ZINC001100407711 811056890 /nfs/dbraw/zinc/05/68/90/811056890.db2.gz GTPCRKMESRYPLA-GDKBPFBDSA-N 1 3 269.389 -0.197 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407597 811057126 /nfs/dbraw/zinc/05/71/26/811057126.db2.gz BSDCHOQGXYGMOO-OVGLSYRBSA-N 1 3 296.415 -0.443 20 0 CBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001100442790 811058228 /nfs/dbraw/zinc/05/82/28/811058228.db2.gz WDAPDYAVGCFWAD-WXRRBKDZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100769461 811078701 /nfs/dbraw/zinc/07/87/01/811078701.db2.gz LGHXIYUDZDYBAV-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100769348 811078994 /nfs/dbraw/zinc/07/89/94/811078994.db2.gz GCJIQQZSIDVJDJ-UNXYVOJBSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C(C)C ZINC001157323514 815423444 /nfs/dbraw/zinc/42/34/44/815423444.db2.gz SUKPBDIOABNMAV-UWVGGRQHSA-N 1 3 258.366 -0.671 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC001157336946 815424903 /nfs/dbraw/zinc/42/49/03/815424903.db2.gz QXLRKYGOKGVVOC-BQBZGAKWSA-N 1 3 284.282 -0.764 20 0 CBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319075 811152326 /nfs/dbraw/zinc/15/23/26/811152326.db2.gz XSYBLMSHTKKMNL-GRYCIOLGSA-N 1 3 284.404 -0.504 20 0 CBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318645 811153164 /nfs/dbraw/zinc/15/31/64/811153164.db2.gz CMPVAKTYJSLTFN-JHJVBQTASA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722665 811186091 /nfs/dbraw/zinc/18/60/91/811186091.db2.gz YQRQODAJPFLUKJ-CHWSQXEVSA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722665 811186094 /nfs/dbraw/zinc/18/60/94/811186094.db2.gz YQRQODAJPFLUKJ-CHWSQXEVSA-N 1 3 296.415 -0.358 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001104690289 811210141 /nfs/dbraw/zinc/21/01/41/811210141.db2.gz CJQNYMUQUFMMGD-UPJWGTAASA-N 1 3 298.431 -0.114 20 0 CBADHO Cn1ccnc1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157423302 815432819 /nfs/dbraw/zinc/43/28/19/815432819.db2.gz RFYNCVSJIQSIHZ-LBPRGKRZSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1ccnc1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157423302 815432822 /nfs/dbraw/zinc/43/28/22/815432822.db2.gz RFYNCVSJIQSIHZ-LBPRGKRZSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1ccnc1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001157423287 815432965 /nfs/dbraw/zinc/43/29/65/815432965.db2.gz QSTCETAHSJPDSU-JTQLQIEISA-N 1 3 253.350 -0.465 20 0 CBADHO Cc1cc(N(C(=N)N)C(=O)[C@@H](N)CCCC[NH3+])n[nH]1 ZINC001157439850 815433907 /nfs/dbraw/zinc/43/39/07/815433907.db2.gz NKQJCYMRLSPGHL-QMMMGPOBSA-N 1 3 267.337 -0.599 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106246583 811304040 /nfs/dbraw/zinc/30/40/40/811304040.db2.gz PCFSQTHRUSKEHA-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001106705199 811315125 /nfs/dbraw/zinc/31/51/25/811315125.db2.gz WHBWDLNRXCGATB-OUAUKWLOSA-N 1 3 293.371 -0.490 20 0 CBADHO CNC(=O)C1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001157494837 815439205 /nfs/dbraw/zinc/43/92/05/815439205.db2.gz BWGAZZKTWFOMFQ-LBPRGKRZSA-N 1 3 282.388 -0.702 20 0 CBADHO COC(=O)N1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001157508292 815439800 /nfs/dbraw/zinc/43/98/00/815439800.db2.gz RTWMYZLJHTZIJC-NSHDSACASA-N 1 3 284.360 -0.776 20 0 CBADHO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157535642 815442149 /nfs/dbraw/zinc/44/21/49/815442149.db2.gz DGRJATVKMCNYJO-UTLUCORTSA-N 1 3 289.351 -0.186 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CCSC23C[NH2+]C3)C[C@H]1F ZINC001157536415 815442383 /nfs/dbraw/zinc/44/23/83/815442383.db2.gz LYVYGFNSAPLWHG-YIZRAAEISA-N 1 3 259.350 -0.411 20 0 CBADHO N[C@H]1CN(C(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)C[C@H]1F ZINC001157535548 815442405 /nfs/dbraw/zinc/44/24/05/815442405.db2.gz BTODHMUWJNPJPR-UNQZSWDGSA-N 1 3 257.309 -0.739 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(N2CC(F)C2)C1 ZINC001157529097 815442688 /nfs/dbraw/zinc/44/26/88/815442688.db2.gz XFJDYZZENALKQF-ZDUSSCGKSA-N 1 3 296.390 -0.275 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(N2CC(F)C2)C1 ZINC001157529097 815442690 /nfs/dbraw/zinc/44/26/90/815442690.db2.gz XFJDYZZENALKQF-ZDUSSCGKSA-N 1 3 296.390 -0.275 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CCSC23C[NH2+]C3)C[C@H]1F ZINC001157536414 815442845 /nfs/dbraw/zinc/44/28/45/815442845.db2.gz LYVYGFNSAPLWHG-HLTSFMKQSA-N 1 3 259.350 -0.411 20 0 CBADHO CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157538837 815443456 /nfs/dbraw/zinc/44/34/56/815443456.db2.gz TUVNRVVYHMYXGB-OUAUKWLOSA-N 1 3 272.368 -0.434 20 0 CBADHO CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157538837 815443458 /nfs/dbraw/zinc/44/34/58/815443458.db2.gz TUVNRVVYHMYXGB-OUAUKWLOSA-N 1 3 272.368 -0.434 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1F ZINC001157537148 815443655 /nfs/dbraw/zinc/44/36/55/815443655.db2.gz ZHSUGWWMEUSQCU-VWYCJHECSA-N 1 3 271.336 -0.347 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545699 815445044 /nfs/dbraw/zinc/44/50/44/815445044.db2.gz YZHUUCSEPJYZEQ-QNWHQSFQSA-N 1 3 284.379 -0.290 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)CC1CC[NH2+]CC1 ZINC001157715218 815455468 /nfs/dbraw/zinc/45/54/68/815455468.db2.gz CLIQUCIJXPFAQM-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@@H]2CNCCO2)C1 ZINC001157716671 815455567 /nfs/dbraw/zinc/45/55/67/815455567.db2.gz QNIAYXNNILVNPL-GRYCIOLGSA-N 1 3 255.362 -0.179 20 0 CBADHO N[C@H](C(=O)N1Cc2cncnc2C1)C1CC[NH2+]CC1 ZINC001157716522 815455414 /nfs/dbraw/zinc/45/54/14/815455414.db2.gz OYWHFGSYSBNINT-LBPRGKRZSA-N 1 3 261.329 -0.354 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708058 815455769 /nfs/dbraw/zinc/45/57/69/815455769.db2.gz HEJWFRJPJYEYTI-QMMMGPOBSA-N 1 3 251.277 -0.453 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2cncnc2C1 ZINC001157708020 815455818 /nfs/dbraw/zinc/45/58/18/815455818.db2.gz FUMKDVJFWNUSPI-SNVBAGLBSA-N 1 3 259.313 -0.872 20 0 CBADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277366 811544155 /nfs/dbraw/zinc/54/41/55/811544155.db2.gz OFDRQHNCMSIRQO-DGAVXFQQSA-N 1 3 299.415 -0.333 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@H]1CNCCO1 ZINC001157717334 815456555 /nfs/dbraw/zinc/45/65/55/815456555.db2.gz ZMBYRKGQNRDHSR-TUAOUCFPSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001157717166 815456745 /nfs/dbraw/zinc/45/67/45/815456745.db2.gz XMPOLQKADONZLZ-VXGBXAGGSA-N 1 3 287.404 -0.034 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001157720220 815456917 /nfs/dbraw/zinc/45/69/17/815456917.db2.gz CUHGDTPHYDDQOK-HBNTYKKESA-N 1 3 259.325 -0.619 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157717332 815456923 /nfs/dbraw/zinc/45/69/23/815456923.db2.gz ZMBYRKGQNRDHSR-SDDRHHMPSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)CCCCNC(N)=[NH2+] ZINC001157721008 815457088 /nfs/dbraw/zinc/45/70/88/815457088.db2.gz RKMXAOUUDVFOGM-JTQLQIEISA-N 1 3 271.365 -0.913 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720253 815457251 /nfs/dbraw/zinc/45/72/51/815457251.db2.gz DPDAIGOVZPPLDU-CHWSQXEVSA-N 1 3 298.431 -0.495 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720253 815457254 /nfs/dbraw/zinc/45/72/54/815457254.db2.gz DPDAIGOVZPPLDU-CHWSQXEVSA-N 1 3 298.431 -0.495 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@@H](F)C(=O)C1)C1CC[NH2+]CC1 ZINC001157729656 815458314 /nfs/dbraw/zinc/45/83/14/815458314.db2.gz CTSCARQBWVLJTP-ZYHUDNBSSA-N 1 3 271.336 -0.157 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(F)(F)CC[C@H]1CO ZINC001157730036 815458403 /nfs/dbraw/zinc/45/84/03/815458403.db2.gz GYWINQOGCYVAML-VHSXEESVSA-N 1 3 289.326 -0.586 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157748802 815461695 /nfs/dbraw/zinc/46/16/95/815461695.db2.gz YTYATSXMHPEDPU-KFHAODIQSA-N 1 3 293.408 -0.238 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739114 815460422 /nfs/dbraw/zinc/46/04/22/815460422.db2.gz FPRDINBUISRJDI-SKDRFNHKSA-N 1 3 261.341 -0.236 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780414 815466023 /nfs/dbraw/zinc/46/60/23/815466023.db2.gz FICHUDMXYQLTAV-JQWIXIFHSA-N 1 3 261.341 -0.234 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799637 815468530 /nfs/dbraw/zinc/46/85/30/815468530.db2.gz OXXPWHCFTYGLPI-WOPDTQHZSA-N 1 3 284.404 -0.328 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CC[S@](C)=O ZINC001157843794 815470667 /nfs/dbraw/zinc/47/06/67/815470667.db2.gz SWSJSBGTVCSZQC-ACQVZOFHSA-N 1 3 275.418 -0.332 20 0 CBADHO N[C@@H](C(=O)N1CCCC(=O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157854444 815473874 /nfs/dbraw/zinc/47/38/74/815473874.db2.gz DKRWFHLGSOQBKM-ZYHUDNBSSA-N 1 3 271.336 -0.157 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C[C@@H]1F ZINC001157899581 815477625 /nfs/dbraw/zinc/47/76/25/815477625.db2.gz AAVSJJFOHLDZQU-DMDPSCGWSA-N 1 3 273.352 -0.365 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900446 815477749 /nfs/dbraw/zinc/47/77/49/815477749.db2.gz JLOCGLSRBNDYMS-UWVGGRQHSA-N 1 3 289.326 -0.729 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937658 815488484 /nfs/dbraw/zinc/48/84/84/815488484.db2.gz ZBTAYOOJKRDMKE-VIFPVBQESA-N 1 3 264.320 -0.490 20 0 CBADHO CN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CC[C@H](O)CC1 ZINC001157997118 815496190 /nfs/dbraw/zinc/49/61/90/815496190.db2.gz IGWNMEPQDMYMOX-DCAQKATOSA-N 1 3 275.418 -0.233 20 0 CBADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159827 815507301 /nfs/dbraw/zinc/50/73/01/815507301.db2.gz FWTJSMIDDWCRDY-TZMCWYRMSA-N 1 3 294.399 -0.939 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114998222 812171799 /nfs/dbraw/zinc/17/17/99/812171799.db2.gz PZYQWIHGTPSVEX-CXTNEJHOSA-N 1 3 299.415 -0.618 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114998222 812171801 /nfs/dbraw/zinc/17/18/01/812171801.db2.gz PZYQWIHGTPSVEX-CXTNEJHOSA-N 1 3 299.415 -0.618 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115159106 812183639 /nfs/dbraw/zinc/18/36/39/812183639.db2.gz DAESSBACSHYCDO-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115159106 812183644 /nfs/dbraw/zinc/18/36/44/812183644.db2.gz DAESSBACSHYCDO-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304496 812190789 /nfs/dbraw/zinc/19/07/89/812190789.db2.gz RUZZRBFOLKLZDP-RMRHIDDWSA-N 1 3 299.415 -0.620 20 0 CBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304496 812190795 /nfs/dbraw/zinc/19/07/95/812190795.db2.gz RUZZRBFOLKLZDP-RMRHIDDWSA-N 1 3 299.415 -0.620 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180090 815510422 /nfs/dbraw/zinc/51/04/22/815510422.db2.gz TUGPSBSGDCFUQJ-FRRDWIJNSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2(C1)CCCO2 ZINC001158236057 815514854 /nfs/dbraw/zinc/51/48/54/815514854.db2.gz WOVKAZZUADVWOG-JTQLQIEISA-N 1 3 251.330 -0.813 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327865 815520594 /nfs/dbraw/zinc/52/05/94/815520594.db2.gz PMNPTUSCLAYIRE-KWCYVHTRSA-N 1 3 275.352 -0.206 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158414264 815527276 /nfs/dbraw/zinc/52/72/76/815527276.db2.gz FFIQJUOCQSIZSK-QJPTWQEYSA-N 1 3 263.345 -0.747 20 0 CBADHO CCN1CCC([NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001118085516 812467769 /nfs/dbraw/zinc/46/77/69/812467769.db2.gz GMTFLWWLPIKYMX-OAHLLOKOSA-N 1 3 284.448 -0.331 20 0 CBADHO Cc1nccn1CCC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001118089024 812469365 /nfs/dbraw/zinc/46/93/65/812469365.db2.gz RNMWCHGOPNHAQJ-HNNXBMFYSA-N 1 3 295.431 -0.220 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422340 815528125 /nfs/dbraw/zinc/52/81/25/815528125.db2.gz KGNDHURDEJXGAD-RVMXOQNASA-N 1 3 296.415 -0.173 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)C1=O ZINC001158424904 815528316 /nfs/dbraw/zinc/52/83/16/815528316.db2.gz URTJFFFRFXZFBQ-SDDRHHMPSA-N 1 3 280.372 -0.711 20 0 CBADHO CCC[C@H](N)C(=O)N1[C@H](C(=O)OCC)C[C@H]2C[NH2+]C[C@H]21 ZINC001158496544 815535415 /nfs/dbraw/zinc/53/54/15/815535415.db2.gz RTRQFXQWKHZDNT-FIQHERPVSA-N 1 3 283.372 -0.134 20 0 CBADHO [NH3+]CCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118389642 812543557 /nfs/dbraw/zinc/54/35/57/812543557.db2.gz OEQMGXGFTYZZNJ-WDEREUQCSA-N 1 3 256.350 -0.814 20 0 CBADHO O=C(NC1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118390595 812544216 /nfs/dbraw/zinc/54/42/16/812544216.db2.gz VZVXJZNFBLFGMM-NWDGAFQWSA-N 1 3 268.361 -0.801 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@H]1CCC[NH2+]C1 ZINC001118557511 812575871 /nfs/dbraw/zinc/57/58/71/812575871.db2.gz GGOVERCPTROLSP-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(CC(C)(C)C[NH3+])C(=O)c1c(CN)cnn1C ZINC001119296422 812745398 /nfs/dbraw/zinc/74/53/98/812745398.db2.gz ZFQRBJPAPHLLDF-UHFFFAOYSA-N 1 3 253.350 -0.064 20 0 CBADHO COCC[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001119297445 812747274 /nfs/dbraw/zinc/74/72/74/812747274.db2.gz NIYYIUVEHJDCBM-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCCCC1 ZINC001119342918 812761354 /nfs/dbraw/zinc/76/13/54/812761354.db2.gz ZDGACJNBXHTHQL-RWMBFGLXSA-N 1 3 296.415 -0.170 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001119355507 812763635 /nfs/dbraw/zinc/76/36/35/812763635.db2.gz UHFNWOCVSLFKFP-VIFPVBQESA-N 1 3 255.322 -0.643 20 0 CBADHO CO[C@@H](CN)C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001119359305 812765336 /nfs/dbraw/zinc/76/53/36/812765336.db2.gz RGJQNBJTNVLTCH-ZETCQYMHSA-N 1 3 257.256 -0.300 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427643 812783150 /nfs/dbraw/zinc/78/31/50/812783150.db2.gz SIXDERXRTGXFGT-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH+](C)C[C@H](O)CNC[C@@H](O)CCC1(O)CCC1 ZINC001120273859 812946729 /nfs/dbraw/zinc/94/67/29/812946729.db2.gz UDUSGPMFUVRKSD-NWDGAFQWSA-N 1 3 260.378 -0.445 20 0 CBADHO CCn1cnnc1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC001120488694 812974083 /nfs/dbraw/zinc/97/40/83/812974083.db2.gz IOKMGQMMGNWPNS-LBPRGKRZSA-N 1 3 267.377 -0.113 20 0 CBADHO CCn1cnnc1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC001120488693 812974353 /nfs/dbraw/zinc/97/43/53/812974353.db2.gz IOKMGQMMGNWPNS-GFCCVEGCSA-N 1 3 267.377 -0.113 20 0 CBADHO N[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[C@H]1F ZINC001120578556 812995696 /nfs/dbraw/zinc/99/56/96/812995696.db2.gz DQDBGYYPBMEMOP-MVCUBJFGSA-N 1 3 256.325 -0.040 20 0 CBADHO CCN1CC[C@@]2(CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]2C)C1=O ZINC001159316598 815568868 /nfs/dbraw/zinc/56/88/68/815568868.db2.gz JWXPKGUPVZDHBA-ZOWXZIJZSA-N 1 3 296.415 -0.231 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@@H]1CNCCO1 ZINC001120633135 813002822 /nfs/dbraw/zinc/00/28/22/813002822.db2.gz HHGUJKKIHDXQKO-NTZNESFSSA-N 1 3 268.361 -0.502 20 0 CBADHO NCc1cc(NCCOCCOCC[NH3+])ncn1 ZINC001159444324 815574006 /nfs/dbraw/zinc/57/40/06/815574006.db2.gz GQWMCFGPMDACRV-UHFFFAOYSA-N 1 3 255.322 -0.661 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121928588 813090645 /nfs/dbraw/zinc/09/06/45/813090645.db2.gz RCNXKVRMYWIMAZ-KBPBESRZSA-N 1 3 297.447 -0.968 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001121938784 813093426 /nfs/dbraw/zinc/09/34/26/813093426.db2.gz DORPGRXADJMYAP-LBPRGKRZSA-N 1 3 266.389 -0.508 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001121997045 813102156 /nfs/dbraw/zinc/10/21/56/813102156.db2.gz RZSFLEROJSRJQL-KXNHARMFSA-N 1 3 255.362 -0.336 20 0 CBADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)CC1 ZINC001122063589 813109989 /nfs/dbraw/zinc/10/99/89/813109989.db2.gz MUOGAQWZWAXZSC-OUAUKWLOSA-N 1 3 253.346 -0.249 20 0 CBADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1COC2(CNC2)C1 ZINC001122063496 813110746 /nfs/dbraw/zinc/11/07/46/813110746.db2.gz LCNNDUVKCAWJFK-MNOVXSKESA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1COC2(CNC2)C1 ZINC001122142490 813123627 /nfs/dbraw/zinc/12/36/27/813123627.db2.gz RWCLNERHGJKSEV-WDEREUQCSA-N 1 3 253.346 -0.234 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC001122295169 813142207 /nfs/dbraw/zinc/14/22/07/813142207.db2.gz FELSNFNQTBJSIR-WOPDTQHZSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001122535922 813174583 /nfs/dbraw/zinc/17/45/83/813174583.db2.gz LSZNZNBAMPLOTM-IJLUTSLNSA-N 1 3 255.362 -0.219 20 0 CBADHO CN(CC1CC[NH2+]CC1)C(=O)c1c(CN)cnn1C ZINC001122564280 813175650 /nfs/dbraw/zinc/17/56/50/813175650.db2.gz QFSCJHCXQAMQEH-UHFFFAOYSA-N 1 3 265.361 -0.050 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cnnn2C)CCC1 ZINC001159853638 815599622 /nfs/dbraw/zinc/59/96/22/815599622.db2.gz GHDCRCUPLYRIKM-UHFFFAOYSA-N 1 3 294.403 -0.105 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCC2)CCC1 ZINC001159845381 815599989 /nfs/dbraw/zinc/59/99/89/815599989.db2.gz BBVXQIQNTCLKFJ-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853665 815600155 /nfs/dbraw/zinc/60/01/55/815600155.db2.gz HARWAVAZWLSKLS-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159863321 815601201 /nfs/dbraw/zinc/60/12/01/815601201.db2.gz RPNUIZVCOCXSRZ-NWDGAFQWSA-N 1 3 296.415 -0.231 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1cc2c(nn1)CCNC2 ZINC001159864913 815603230 /nfs/dbraw/zinc/60/32/30/815603230.db2.gz PTEATIHXHFPYQX-UHFFFAOYSA-N 1 3 279.344 -0.550 20 0 CBADHO CN(CC(=O)N1CC[C@](O)(C[NH+](C)C)C1)C1CCC1 ZINC001123859593 813282006 /nfs/dbraw/zinc/28/20/06/813282006.db2.gz HBWGYTICKJWCLP-AWEZNQCLSA-N 1 3 269.389 -0.004 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866941 813490160 /nfs/dbraw/zinc/49/01/60/813490160.db2.gz NZZMIHBSHQCGCL-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124867487 813491689 /nfs/dbraw/zinc/49/16/89/813491689.db2.gz WIQSMNXSHJVVBA-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124867485 813492752 /nfs/dbraw/zinc/49/27/52/813492752.db2.gz WIQSMNXSHJVVBA-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001127066391 813709603 /nfs/dbraw/zinc/70/96/03/813709603.db2.gz NFIHIIDQENQKBX-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001127066391 813709609 /nfs/dbraw/zinc/70/96/09/813709609.db2.gz NFIHIIDQENQKBX-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127077670 813711397 /nfs/dbraw/zinc/71/13/97/813711397.db2.gz GVQTUYGUYHQQJP-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127077670 813711404 /nfs/dbraw/zinc/71/14/04/813711404.db2.gz GVQTUYGUYHQQJP-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357482 813725788 /nfs/dbraw/zinc/72/57/88/813725788.db2.gz ZDVQMRVUFABRPT-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357482 813725791 /nfs/dbraw/zinc/72/57/91/813725791.db2.gz ZDVQMRVUFABRPT-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475573 813731695 /nfs/dbraw/zinc/73/16/95/813731695.db2.gz VXZYRZIUPCEEDE-ZDUSSCGKSA-N 1 3 296.415 -0.440 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480471 813732935 /nfs/dbraw/zinc/73/29/35/813732935.db2.gz KKVVVFAQVXTESW-QWHCGFSZSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)C)CC[N@@H+]1C ZINC001127638457 813740308 /nfs/dbraw/zinc/74/03/08/813740308.db2.gz JVHGARFRBIFVBJ-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)C)CC[N@H+]1C ZINC001127638457 813740313 /nfs/dbraw/zinc/74/03/13/813740313.db2.gz JVHGARFRBIFVBJ-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO O=C(NCCNCCF)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779564 813748605 /nfs/dbraw/zinc/74/86/05/813748605.db2.gz OEWKQWQIMHKBSL-MNOVXSKESA-N 1 3 259.325 -0.475 20 0 CBADHO O=C(NCCNCCF)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779564 813748609 /nfs/dbraw/zinc/74/86/09/813748609.db2.gz OEWKQWQIMHKBSL-MNOVXSKESA-N 1 3 259.325 -0.475 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001128774126 813796296 /nfs/dbraw/zinc/79/62/96/813796296.db2.gz MJMRKCNCRNARHD-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001128774126 813796301 /nfs/dbraw/zinc/79/63/01/813796301.db2.gz MJMRKCNCRNARHD-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC ZINC001128773910 813796919 /nfs/dbraw/zinc/79/69/19/813796919.db2.gz IHUGXKQIEOHABG-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC ZINC001128773910 813796926 /nfs/dbraw/zinc/79/69/26/813796926.db2.gz IHUGXKQIEOHABG-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001128778145 813797674 /nfs/dbraw/zinc/79/76/74/813797674.db2.gz BNTXZWOQPDOWOI-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001128778145 813797680 /nfs/dbraw/zinc/79/76/80/813797680.db2.gz BNTXZWOQPDOWOI-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001128779159 813798729 /nfs/dbraw/zinc/79/87/29/813798729.db2.gz PTIRJBATCUXYDB-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001128779159 813798738 /nfs/dbraw/zinc/79/87/38/813798738.db2.gz PTIRJBATCUXYDB-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC ZINC001128783866 813799427 /nfs/dbraw/zinc/79/94/27/813799427.db2.gz JLDXVUUHCCJBFP-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC ZINC001128783866 813799433 /nfs/dbraw/zinc/79/94/33/813799433.db2.gz JLDXVUUHCCJBFP-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001128786133 813799696 /nfs/dbraw/zinc/79/96/96/813799696.db2.gz RTDFJCBUKPRIDG-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001128786133 813799702 /nfs/dbraw/zinc/79/97/02/813799702.db2.gz RTDFJCBUKPRIDG-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+]CCN2CCNC2=O)CCC1 ZINC001129356833 813836042 /nfs/dbraw/zinc/83/60/42/813836042.db2.gz IWRMKTSHVRQMJF-UHFFFAOYSA-N 1 3 297.403 -0.798 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(N)=O ZINC001129415778 813839933 /nfs/dbraw/zinc/83/99/33/813839933.db2.gz CMEWTXMQVPPLFH-LLVKDONJSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(N)=O ZINC001129415778 813839936 /nfs/dbraw/zinc/83/99/36/813839936.db2.gz CMEWTXMQVPPLFH-LLVKDONJSA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)N1CCCC1)C1CC1 ZINC001129435153 813841210 /nfs/dbraw/zinc/84/12/10/813841210.db2.gz CFNFYLOPEUBXOF-CQSZACIVSA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129436535 813841260 /nfs/dbraw/zinc/84/12/60/813841260.db2.gz QSIGKLFEJIMJML-NWDGAFQWSA-N 1 3 273.377 -0.960 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436713 813842895 /nfs/dbraw/zinc/84/28/95/813842895.db2.gz RUQKKJCBZVYMRR-BXUZGUMPSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001129532163 813848673 /nfs/dbraw/zinc/84/86/73/813848673.db2.gz SYKQKTLDGPFBMI-LLVKDONJSA-N 1 3 268.361 -0.935 20 0 CBADHO CCN1CC[C@H]([NH2+]CCNC(=O)CN(C)C2CCC2)C1=O ZINC001129531626 813850641 /nfs/dbraw/zinc/85/06/41/813850641.db2.gz CHPJNXLQMLDENT-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001129535402 813851187 /nfs/dbraw/zinc/85/11/87/813851187.db2.gz PWLJXPODUIHGGN-NSHDSACASA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839951 813870772 /nfs/dbraw/zinc/87/07/72/813870772.db2.gz CLEPXVCPQQIMAM-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129839951 813870782 /nfs/dbraw/zinc/87/07/82/813870782.db2.gz CLEPXVCPQQIMAM-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001129854976 813871041 /nfs/dbraw/zinc/87/10/41/813871041.db2.gz AQIZYGLXUVNGMT-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001129854976 813871050 /nfs/dbraw/zinc/87/10/50/813871050.db2.gz AQIZYGLXUVNGMT-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(N)=O ZINC001129856663 813871921 /nfs/dbraw/zinc/87/19/21/813871921.db2.gz VJAKMCWHSULPOY-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(N)=O ZINC001129856663 813871930 /nfs/dbraw/zinc/87/19/30/813871930.db2.gz VJAKMCWHSULPOY-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001129949409 813881835 /nfs/dbraw/zinc/88/18/35/813881835.db2.gz CLYIXEPZBVZASD-NEPJUHHUSA-N 1 3 284.404 -0.491 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001129949919 813881901 /nfs/dbraw/zinc/88/19/01/813881901.db2.gz KDOLIFGSDNSUJO-LBPRGKRZSA-N 1 3 299.419 -0.696 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001130205032 813918694 /nfs/dbraw/zinc/91/86/94/813918694.db2.gz DXUAXONQZCTOGT-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001130205436 813919188 /nfs/dbraw/zinc/91/91/88/813919188.db2.gz LJHMLWGSWSWXTB-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[C@H](NCCNC(=O)C(C)(C)[N@H+](C)CC)C(N)=O ZINC001130427595 813937944 /nfs/dbraw/zinc/93/79/44/813937944.db2.gz NVWWZSNYKPBROI-JTQLQIEISA-N 1 3 272.393 -0.314 20 0 CBADHO CC[C@H](NCCNC(=O)C(C)(C)[N@@H+](C)CC)C(N)=O ZINC001130427595 813937951 /nfs/dbraw/zinc/93/79/51/813937951.db2.gz NVWWZSNYKPBROI-JTQLQIEISA-N 1 3 272.393 -0.314 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(N)=O ZINC001130421766 813938901 /nfs/dbraw/zinc/93/89/01/813938901.db2.gz IVZWUWYXFZGSTF-SECBINFHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(N)=O ZINC001130421766 813938906 /nfs/dbraw/zinc/93/89/06/813938906.db2.gz IVZWUWYXFZGSTF-SECBINFHSA-N 1 3 258.366 -0.704 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001130425423 813939456 /nfs/dbraw/zinc/93/94/56/813939456.db2.gz YOJIUMYGFJGLJT-NSHDSACASA-N 1 3 275.393 -0.570 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419332 813939834 /nfs/dbraw/zinc/93/98/34/813939834.db2.gz VSAGIOBUODDUJV-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419332 813939839 /nfs/dbraw/zinc/93/98/39/813939839.db2.gz VSAGIOBUODDUJV-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001130709211 813968592 /nfs/dbraw/zinc/96/85/92/813968592.db2.gz XFYAMXSYHANVFI-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001130709211 813968597 /nfs/dbraw/zinc/96/85/97/813968597.db2.gz XFYAMXSYHANVFI-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO COCCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519838 814037965 /nfs/dbraw/zinc/03/79/65/814037965.db2.gz KSIKRETXGZMBBH-OWYJLGKBSA-N 1 3 297.399 -0.408 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789959 814068909 /nfs/dbraw/zinc/06/89/09/814068909.db2.gz BVMOHTXBFUIPRD-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790098 814069800 /nfs/dbraw/zinc/06/98/00/814069800.db2.gz GAHDSYCEXLLFAU-CQSZACIVSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(NCCN[C@H]1CCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790544 814069848 /nfs/dbraw/zinc/06/98/48/814069848.db2.gz PCJSOJOOIKYWIY-STQMWFEESA-N 1 3 294.399 -0.545 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283831 814119728 /nfs/dbraw/zinc/11/97/28/814119728.db2.gz KWEOXRIXLMGFQT-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001132886156 814197271 /nfs/dbraw/zinc/19/72/71/814197271.db2.gz DJVRPMPPJHAXBH-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001132886156 814197274 /nfs/dbraw/zinc/19/72/74/814197274.db2.gz DJVRPMPPJHAXBH-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886144 814197286 /nfs/dbraw/zinc/19/72/86/814197286.db2.gz DHXWENAJJPAJJH-AXFHLTTASA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886144 814197288 /nfs/dbraw/zinc/19/72/88/814197288.db2.gz DHXWENAJJPAJJH-AXFHLTTASA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886145 814197875 /nfs/dbraw/zinc/19/78/75/814197875.db2.gz DHXWENAJJPAJJH-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132886145 814197877 /nfs/dbraw/zinc/19/78/77/814197877.db2.gz DHXWENAJJPAJJH-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001132992876 814206519 /nfs/dbraw/zinc/20/65/19/814206519.db2.gz ICLKWQXWNACFRE-UHFFFAOYSA-N 1 3 282.388 -0.734 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001132993086 814206712 /nfs/dbraw/zinc/20/67/12/814206712.db2.gz MUHMHWAMBWTVPF-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001132993085 814207405 /nfs/dbraw/zinc/20/74/05/814207405.db2.gz MUHMHWAMBWTVPF-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040415 814212045 /nfs/dbraw/zinc/21/20/45/814212045.db2.gz PYUOASLKPJCESQ-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133048294 814212234 /nfs/dbraw/zinc/21/22/34/814212234.db2.gz RCMLBULOVVDJLR-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133043092 814212827 /nfs/dbraw/zinc/21/28/27/814212827.db2.gz QZOUVQZVBMTIOM-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133288550 814235238 /nfs/dbraw/zinc/23/52/38/814235238.db2.gz ZOKYUFMGQZVCHY-UHFFFAOYSA-N 1 3 270.377 -0.830 20 0 CBADHO Cc1nc(CNCCNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001133287902 814235415 /nfs/dbraw/zinc/23/54/15/814235415.db2.gz PLCIXTXLLCSNHZ-UHFFFAOYSA-N 1 3 280.376 -0.339 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281853 814235853 /nfs/dbraw/zinc/23/58/53/814235853.db2.gz PPUMCYUKCSXJQB-LBPRGKRZSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)CCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001133288274 814236206 /nfs/dbraw/zinc/23/62/06/814236206.db2.gz TZFNWPGVFMVUCB-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133281705 814236503 /nfs/dbraw/zinc/23/65/03/814236503.db2.gz IKKCPHQQZRIHIE-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001133295000 814240138 /nfs/dbraw/zinc/24/01/38/814240138.db2.gz ZJJTZILMNSNBBY-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819368 814301040 /nfs/dbraw/zinc/30/10/40/814301040.db2.gz AAWHSSVDRPUVJH-CYBMUJFWSA-N 1 3 287.404 -0.161 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001133823908 814303338 /nfs/dbraw/zinc/30/33/38/814303338.db2.gz SARIAJCXQVHGPI-LBPRGKRZSA-N 1 3 280.376 -0.532 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133845554 814309152 /nfs/dbraw/zinc/30/91/52/814309152.db2.gz INBYRSHANBVSGN-GFCCVEGCSA-N 1 3 296.415 -0.440 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845651 814309672 /nfs/dbraw/zinc/30/96/72/814309672.db2.gz KQOGTPXZEUIFJH-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845651 814309681 /nfs/dbraw/zinc/30/96/81/814309681.db2.gz KQOGTPXZEUIFJH-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869277 814315176 /nfs/dbraw/zinc/31/51/76/814315176.db2.gz CIFXSGNEBGSRIS-CHWSQXEVSA-N 1 3 298.431 -0.243 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869277 814315179 /nfs/dbraw/zinc/31/51/79/814315179.db2.gz CIFXSGNEBGSRIS-CHWSQXEVSA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001133866693 814315408 /nfs/dbraw/zinc/31/54/08/814315408.db2.gz NRUSULWCEQVJHR-YPMHNXCESA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001133866693 814315416 /nfs/dbraw/zinc/31/54/16/814315416.db2.gz NRUSULWCEQVJHR-YPMHNXCESA-N 1 3 279.388 -0.176 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870145 814317710 /nfs/dbraw/zinc/31/77/10/814317710.db2.gz QPZPZCMCTCWMRG-NWDGAFQWSA-N 1 3 284.404 -0.586 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870145 814317720 /nfs/dbraw/zinc/31/77/20/814317720.db2.gz QPZPZCMCTCWMRG-NWDGAFQWSA-N 1 3 284.404 -0.586 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870147 814318481 /nfs/dbraw/zinc/31/84/81/814318481.db2.gz QPZPZCMCTCWMRG-VXGBXAGGSA-N 1 3 284.404 -0.586 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870147 814318490 /nfs/dbraw/zinc/31/84/90/814318490.db2.gz QPZPZCMCTCWMRG-VXGBXAGGSA-N 1 3 284.404 -0.586 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869715 814318651 /nfs/dbraw/zinc/31/86/51/814318651.db2.gz JYGWSQFBPOWYGF-ZYHUDNBSSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869715 814318660 /nfs/dbraw/zinc/31/86/60/814318660.db2.gz JYGWSQFBPOWYGF-ZYHUDNBSSA-N 1 3 282.388 -0.832 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870150 814318832 /nfs/dbraw/zinc/31/88/32/814318832.db2.gz QQJVFFQQVUNCPB-QWRGUYRKSA-N 1 3 270.377 -0.974 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870150 814318841 /nfs/dbraw/zinc/31/88/41/814318841.db2.gz QQJVFFQQVUNCPB-QWRGUYRKSA-N 1 3 270.377 -0.974 20 0 CBADHO CN(CC(=O)NCC[NH2+]CCOCCO)CC(C)(C)C ZINC001133905788 814322049 /nfs/dbraw/zinc/32/20/49/814322049.db2.gz HCXFWFOKRUEAQD-UHFFFAOYSA-N 1 3 289.420 -0.321 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001133962394 814330728 /nfs/dbraw/zinc/33/07/28/814330728.db2.gz HRLNXBVEBAQGFK-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001133962123 814330878 /nfs/dbraw/zinc/33/08/78/814330878.db2.gz DLHISBZDVSOKTH-MNOVXSKESA-N 1 3 261.366 -0.960 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780353 814412527 /nfs/dbraw/zinc/41/25/27/814412527.db2.gz BVWBXWYTFSHZON-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780307 814412687 /nfs/dbraw/zinc/41/26/87/814412687.db2.gz AABDEVBRPBCLSK-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH+](C)CCn1cc(C(=O)NCCNCCF)cn1 ZINC001135119296 814438802 /nfs/dbraw/zinc/43/88/02/814438802.db2.gz ZOGMUOAMJJEZHT-UHFFFAOYSA-N 1 3 271.340 -0.266 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914483 815604970 /nfs/dbraw/zinc/60/49/70/815604970.db2.gz CCMBHPMCIPDUCR-CYBMUJFWSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCO)C1CC1 ZINC001159931613 815606260 /nfs/dbraw/zinc/60/62/60/815606260.db2.gz GULHJZJHKQAFFJ-LBPRGKRZSA-N 1 3 257.378 -0.195 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932554 815606734 /nfs/dbraw/zinc/60/67/34/815606734.db2.gz RUOXUZQDXZSWFV-JQWIXIFHSA-N 1 3 284.404 -0.443 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001135511547 814481379 /nfs/dbraw/zinc/48/13/79/814481379.db2.gz SFBHOWJTUVOXTA-LLVKDONJSA-N 1 3 261.366 -0.959 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513319 814481032 /nfs/dbraw/zinc/48/10/32/814481032.db2.gz MNDZROBGDNAYFT-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001160426958 815619109 /nfs/dbraw/zinc/61/91/09/815619109.db2.gz KRBYROFMQJJGEG-ZDUSSCGKSA-N 1 3 286.420 -0.243 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135975737 814542440 /nfs/dbraw/zinc/54/24/40/814542440.db2.gz BNZQDOZMPZJZEG-VXGBXAGGSA-N 1 3 286.420 -0.053 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135975736 814543434 /nfs/dbraw/zinc/54/34/34/814543434.db2.gz BNZQDOZMPZJZEG-RYUDHWBXSA-N 1 3 286.420 -0.053 20 0 CBADHO CN1CC(C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001142594562 814720419 /nfs/dbraw/zinc/72/04/19/814720419.db2.gz QRESXEZBRVVBEK-UONOGXRCSA-N 1 3 280.416 -0.215 20 0 CBADHO CN1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001143317519 814769465 /nfs/dbraw/zinc/76/94/65/814769465.db2.gz SWPHQJXREOSDAG-UHFFFAOYSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CC(=O)N1C[C@H]2[C@H](C1)CCCN2C)C(N)=[NH2+] ZINC001144136930 814773446 /nfs/dbraw/zinc/77/34/46/814773446.db2.gz MRIQUGULJVDFGD-UWVGGRQHSA-N 1 3 253.350 -0.636 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001146710761 814844158 /nfs/dbraw/zinc/84/41/58/814844158.db2.gz MWLQWQBQCZWCQV-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001146711369 814844145 /nfs/dbraw/zinc/84/41/45/814844145.db2.gz RBTMUJZFRIOXNC-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001146711369 814844146 /nfs/dbraw/zinc/84/41/46/814844146.db2.gz RBTMUJZFRIOXNC-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001146710761 814844159 /nfs/dbraw/zinc/84/41/59/814844159.db2.gz MWLQWQBQCZWCQV-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[N@H+](C)CC)C(N)=O ZINC001146710205 814844420 /nfs/dbraw/zinc/84/44/20/814844420.db2.gz FOANXUVRWDBUHB-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[N@@H+](C)CC)C(N)=O ZINC001146710205 814844423 /nfs/dbraw/zinc/84/44/23/814844423.db2.gz FOANXUVRWDBUHB-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147877408 814921955 /nfs/dbraw/zinc/92/19/55/814921955.db2.gz JGBVURUPVQFEEY-CYBMUJFWSA-N 1 3 296.415 -0.440 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147877408 814921960 /nfs/dbraw/zinc/92/19/60/814921960.db2.gz JGBVURUPVQFEEY-CYBMUJFWSA-N 1 3 296.415 -0.440 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001147885466 814922403 /nfs/dbraw/zinc/92/24/03/814922403.db2.gz MJLBRLMKCCKLKQ-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001147885466 814922407 /nfs/dbraw/zinc/92/24/07/814922407.db2.gz MJLBRLMKCCKLKQ-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878220 814922976 /nfs/dbraw/zinc/92/29/76/814922976.db2.gz VKYXNELTLASSHE-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878220 814922979 /nfs/dbraw/zinc/92/29/79/814922979.db2.gz VKYXNELTLASSHE-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877604 814923228 /nfs/dbraw/zinc/92/32/28/814923228.db2.gz MLEVMGONERBTMU-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877604 814923232 /nfs/dbraw/zinc/92/32/32/814923232.db2.gz MLEVMGONERBTMU-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877956 814923407 /nfs/dbraw/zinc/92/34/07/814923407.db2.gz QJFYDFBZGXFBND-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877956 814923413 /nfs/dbraw/zinc/92/34/13/814923413.db2.gz QJFYDFBZGXFBND-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914484 815603984 /nfs/dbraw/zinc/60/39/84/815603984.db2.gz CCMBHPMCIPDUCR-ZDUSSCGKSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001159925042 815604128 /nfs/dbraw/zinc/60/41/28/815604128.db2.gz NKILWSYQOYLPAR-ONGXEEELSA-N 1 3 270.377 -0.704 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428400 815620878 /nfs/dbraw/zinc/62/08/78/815620878.db2.gz TYPFNYJWHXWEGY-UKKRHICBSA-N 1 3 253.321 -0.246 20 0 CBADHO COCCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C(C)C ZINC001160463217 815624887 /nfs/dbraw/zinc/62/48/87/815624887.db2.gz HOWGZOILHWXJBJ-NSHDSACASA-N 1 3 255.362 -0.321 20 0 CBADHO [NH3+]C[C@@]1(Nc2ncnc3c2CCNC3)CN2CCC1CC2 ZINC001160511267 815631143 /nfs/dbraw/zinc/63/11/43/815631143.db2.gz NMVXTLWPKIOQOK-OAHLLOKOSA-N 1 3 288.399 -0.043 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160558799 815637190 /nfs/dbraw/zinc/63/71/90/815637190.db2.gz UYLHOKMABZSYTP-NSHDSACASA-N 1 3 265.361 -0.239 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160557966 815637672 /nfs/dbraw/zinc/63/76/72/815637672.db2.gz KPFVQVFXYXSBNV-NSHDSACASA-N 1 3 275.356 -0.886 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160565226 815638956 /nfs/dbraw/zinc/63/89/56/815638956.db2.gz OITDYZHFNDNMMO-SNVBAGLBSA-N 1 3 261.329 -0.929 20 0 CBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596179 815642400 /nfs/dbraw/zinc/64/24/00/815642400.db2.gz LFEHALXKQDRFHG-NWDGAFQWSA-N 1 3 299.371 -0.896 20 0 CBADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160635876 815646422 /nfs/dbraw/zinc/64/64/22/815646422.db2.gz MKIOGVQAKZDMDM-GXFFZTMASA-N 1 3 271.361 -0.146 20 0 CBADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160634786 815646434 /nfs/dbraw/zinc/64/64/34/815646434.db2.gz DPBWKQBBRMYETL-RISCZKNCSA-N 1 3 295.383 -0.403 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](n2cncn2)C1 ZINC001160635611 815646468 /nfs/dbraw/zinc/64/64/68/815646468.db2.gz BCCQQEWWRWXUKK-VXGBXAGGSA-N 1 3 290.371 -0.749 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160638738 815649477 /nfs/dbraw/zinc/64/94/77/815649477.db2.gz ZDCAGVRUEQNZKX-MNOVXSKESA-N 1 3 298.416 -0.539 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)C[C@H]1O ZINC001160652581 815652680 /nfs/dbraw/zinc/65/26/80/815652680.db2.gz HIEJVOAMYDLUJW-DOLQZWNJSA-N 1 3 295.305 -0.163 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160718684 815663168 /nfs/dbraw/zinc/66/31/68/815663168.db2.gz QNCYXBMRKWDWQX-WPRPVWTQSA-N 1 3 257.334 -0.667 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)CN1CCCC[C@H](N)C1=O ZINC001160689012 815657029 /nfs/dbraw/zinc/65/70/29/815657029.db2.gz SNQGMRMFGOCHID-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(CCN1CCCC1)C(=O)C1(N)CC[NH2+]CC1 ZINC001160687522 815657468 /nfs/dbraw/zinc/65/74/68/815657468.db2.gz GFMCNDCZAYOTMU-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO Cn1cnnc1C1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160704147 815660285 /nfs/dbraw/zinc/66/02/85/815660285.db2.gz HOJHLUIBIKMRTJ-LLVKDONJSA-N 1 3 280.376 -0.413 20 0 CBADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]2C1 ZINC001160703880 815660478 /nfs/dbraw/zinc/66/04/78/815660478.db2.gz GQZBQFCTXSHNDS-RYDOPVQFSA-N 1 3 273.402 -0.898 20 0 CBADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]2C1 ZINC001160703880 815660481 /nfs/dbraw/zinc/66/04/81/815660481.db2.gz GQZBQFCTXSHNDS-RYDOPVQFSA-N 1 3 273.402 -0.898 20 0 CBADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704896 815662371 /nfs/dbraw/zinc/66/23/71/815662371.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 1 3 263.345 -0.701 20 0 CBADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704896 815662375 /nfs/dbraw/zinc/66/23/75/815662375.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 1 3 263.345 -0.701 20 0 CBADHO CN(C(=O)[C@@H](N)CCC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718347 815663189 /nfs/dbraw/zinc/66/31/89/815663189.db2.gz GBBISSABHVBJQX-JTQLQIEISA-N 1 3 277.390 -0.912 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]12 ZINC001160755937 815666484 /nfs/dbraw/zinc/66/64/84/815666484.db2.gz CMXJOXAMLCKRGX-WISYIIOYSA-N 1 3 255.362 -0.064 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]12 ZINC001160756464 815667389 /nfs/dbraw/zinc/66/73/89/815667389.db2.gz LSNRHGOEKPZFKS-WISYIIOYSA-N 1 3 265.357 -0.711 20 0 CBADHO O=C(N1CCc2nccn2CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160760280 815669146 /nfs/dbraw/zinc/66/91/46/815669146.db2.gz JOSZRXCHJSXXQX-IUODEOHRSA-N 1 3 289.383 -0.533 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160837323 815676309 /nfs/dbraw/zinc/67/63/09/815676309.db2.gz HXRCDPZRBCUHKI-STQMWFEESA-N 1 3 295.387 -0.921 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001160883151 815683380 /nfs/dbraw/zinc/68/33/80/815683380.db2.gz FXZQNNBKYCHQOY-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001160883684 815685811 /nfs/dbraw/zinc/68/58/11/815685811.db2.gz TUOHLYXSMOTULC-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909043 815687303 /nfs/dbraw/zinc/68/73/03/815687303.db2.gz JRCYLDSSHRHAMZ-ZETCQYMHSA-N 1 3 289.323 -0.611 20 0 CBADHO CC(C)OC1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161009650 815694358 /nfs/dbraw/zinc/69/43/58/815694358.db2.gz HBXWRYZMYKLYLZ-LLVKDONJSA-N 1 3 253.346 -0.569 20 0 CBADHO CC(C)OC1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161010192 815695141 /nfs/dbraw/zinc/69/51/41/815695141.db2.gz NNOQAZHNHNXUMU-LBPRGKRZSA-N 1 3 255.362 -0.051 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001161031083 815699895 /nfs/dbraw/zinc/69/98/95/815699895.db2.gz RVPFONIACTYBIO-VIFPVBQESA-N 1 3 258.391 -0.423 20 0 CBADHO CN(C(=O)[C@@H](N)CC[S@@](C)=O)C1(C)CC[NH2+]CC1 ZINC001161073792 815706730 /nfs/dbraw/zinc/70/67/30/815706730.db2.gz SLDCTUIYQLTFJY-XTZNXHDOSA-N 1 3 275.418 -0.317 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]21 ZINC001161081417 815709110 /nfs/dbraw/zinc/70/91/10/815709110.db2.gz JOIWSQSUSRNVCF-KKOKHZNYSA-N 1 3 253.346 -0.881 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001161081027 815709311 /nfs/dbraw/zinc/70/93/11/815709311.db2.gz CJYBHJABNMPZCX-FIQHERPVSA-N 1 3 252.362 -0.914 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001161080984 815709499 /nfs/dbraw/zinc/70/94/99/815709499.db2.gz AQCWLWTVBRHWDR-WZRBSPASSA-N 1 3 252.362 -0.770 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@H]21 ZINC001161081351 815709626 /nfs/dbraw/zinc/70/96/26/815709626.db2.gz ITJSUPIDGDNUIN-RAIGVLPGSA-N 1 3 277.372 -0.168 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@H]21 ZINC001161081351 815709631 /nfs/dbraw/zinc/70/96/31/815709631.db2.gz ITJSUPIDGDNUIN-RAIGVLPGSA-N 1 3 277.372 -0.168 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084953 815711716 /nfs/dbraw/zinc/71/17/16/815711716.db2.gz KXWIKZVTUALTDU-DCAQKATOSA-N 1 3 269.345 -0.428 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161131088 815719152 /nfs/dbraw/zinc/71/91/52/815719152.db2.gz NQEXJPQYALGXKC-VXGBXAGGSA-N 1 3 270.377 -0.478 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170597 815724134 /nfs/dbraw/zinc/72/41/34/815724134.db2.gz KNUHUXHDQXSDNA-NEPJUHHUSA-N 1 3 281.360 -0.958 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001161226978 815729830 /nfs/dbraw/zinc/72/98/30/815729830.db2.gz SBQTWDYSYWYOKB-LLVKDONJSA-N 1 3 286.420 -0.053 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001161226641 815730096 /nfs/dbraw/zinc/73/00/96/815730096.db2.gz MELJXUUZCSUTAJ-LBPRGKRZSA-N 1 3 289.420 -0.180 20 0 CBADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161231654 815730829 /nfs/dbraw/zinc/73/08/29/815730829.db2.gz NGVNSPLZXCLLBR-XPXLGCRWSA-N 1 3 269.345 -0.654 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234713 815730933 /nfs/dbraw/zinc/73/09/33/815730933.db2.gz GRMPXIGNRDCQJA-WDEREUQCSA-N 1 3 266.349 -0.492 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264512 815735352 /nfs/dbraw/zinc/73/53/52/815735352.db2.gz OKXJPGATXJXZKE-LBPRGKRZSA-N 1 3 298.387 -0.114 20 0 CBADHO CNC(=O)NC1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001161268424 815735738 /nfs/dbraw/zinc/73/57/38/815735738.db2.gz IINUJYGGPORZTQ-LBPRGKRZSA-N 1 3 297.403 -0.767 20 0 CBADHO CCN(C(=O)C[C@H]1CNCCO1)[C@H]1CCC[NH2+]C1 ZINC001161329340 815741177 /nfs/dbraw/zinc/74/11/77/815741177.db2.gz APOSSECGMOJEOC-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CCN(C(=O)[C@@H](N)CCC(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001161332419 815741210 /nfs/dbraw/zinc/74/12/10/815741210.db2.gz MYLWTJCQQRCDTG-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(C(=O)[C@@H](N)CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161333605 815742941 /nfs/dbraw/zinc/74/29/41/815742941.db2.gz VIPCCAQDXKXNTG-MNOVXSKESA-N 1 3 285.392 -0.637 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413861 815751528 /nfs/dbraw/zinc/75/15/28/815751528.db2.gz RLYPXAAPMHWMRJ-HNRZYHPDSA-N 1 3 296.415 -0.328 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@@H]1C ZINC001161459777 815757724 /nfs/dbraw/zinc/75/77/24/815757724.db2.gz VDMKGHTXFSCEKF-DCAQKATOSA-N 1 3 281.356 -0.937 20 0 CBADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]21 ZINC001161481184 815758419 /nfs/dbraw/zinc/75/84/19/815758419.db2.gz CTQZLYZGZYZODZ-AVGNSLFASA-N 1 3 296.415 -0.088 20 0 CBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1(N)CC1)CC2 ZINC001161481917 815759079 /nfs/dbraw/zinc/75/90/79/815759079.db2.gz ZLWLOJRDTQQMBP-JOYOIKCWSA-N 1 3 267.329 -0.769 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492334 815762040 /nfs/dbraw/zinc/76/20/40/815762040.db2.gz NZLLKMYSEXLVQB-XQQFMLRXSA-N 1 3 297.399 -0.281 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(C(F)F)C1 ZINC001161500712 815763409 /nfs/dbraw/zinc/76/34/09/815763409.db2.gz YUFWFKQHNYDHJR-ZETCQYMHSA-N 1 3 253.318 -0.271 20 0 CBADHO CN(C1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1)[C@H]1CCOC1 ZINC001161497637 815763503 /nfs/dbraw/zinc/76/35/03/815763503.db2.gz BTPUJOQINUVCKM-ZGFBFQLVSA-N 1 3 294.399 -0.860 20 0 CBADHO NC(C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C(F)(F)F ZINC001161511094 815765100 /nfs/dbraw/zinc/76/51/00/815765100.db2.gz WJGVDWGHBQKRIJ-WDSKDSINSA-N 1 3 253.224 -0.938 20 0 CBADHO Cc1nc2c(o1)CCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001161522531 815766479 /nfs/dbraw/zinc/76/64/79/815766479.db2.gz DLNQEZULSBCFNG-VIFPVBQESA-N 1 3 252.318 -0.066 20 0 CBADHO COCCOC1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161572783 815773038 /nfs/dbraw/zinc/77/30/38/815773038.db2.gz YFKAUIJAXWNQNG-ZDUSSCGKSA-N 1 3 297.399 -0.266 20 0 CBADHO COCCOC1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161572783 815773043 /nfs/dbraw/zinc/77/30/43/815773043.db2.gz YFKAUIJAXWNQNG-ZDUSSCGKSA-N 1 3 297.399 -0.266 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872642 815847696 /nfs/dbraw/zinc/84/76/96/815847696.db2.gz ZCKDZTRRFPURKS-UQJCBBSYSA-N 1 3 297.399 -0.674 20 0 CBADHO CNCc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncn1 ZINC001163234897 815866029 /nfs/dbraw/zinc/86/60/29/815866029.db2.gz CHTKOVVTHCIQCI-JOYOIKCWSA-N 1 3 262.317 -0.814 20 0 CBADHO CCOC(=O)c1cn(-c2cc(C[NH3+])ncn2)nc1CN ZINC001163520696 815888408 /nfs/dbraw/zinc/88/84/08/815888408.db2.gz PXTOZQCIEJNSIN-UHFFFAOYSA-N 1 3 276.300 -0.244 20 0 CBADHO CC[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001293333223 816515130 /nfs/dbraw/zinc/51/51/30/816515130.db2.gz KZAURRNKPLJCSU-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001293333223 816515131 /nfs/dbraw/zinc/51/51/31/816515131.db2.gz KZAURRNKPLJCSU-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001294291260 816538714 /nfs/dbraw/zinc/53/87/14/816538714.db2.gz CCJZDEZFTSCPLQ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](CNCc1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001308256452 816822586 /nfs/dbraw/zinc/82/25/86/816822586.db2.gz NKGSLPXJEIRNJT-NSHDSACASA-N 1 3 252.366 -0.459 20 0 CBADHO C[C@H](O)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001317244935 816949174 /nfs/dbraw/zinc/94/91/74/816949174.db2.gz FPVWOSANNYLWPZ-QWRGUYRKSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660423 817043116 /nfs/dbraw/zinc/04/31/16/817043116.db2.gz CTIFVCPSRLLQPL-CYBMUJFWSA-N 1 3 298.431 -0.242 20 0 CBADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317660423 817043121 /nfs/dbraw/zinc/04/31/21/817043121.db2.gz CTIFVCPSRLLQPL-CYBMUJFWSA-N 1 3 298.431 -0.242 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCOCCO)C1 ZINC001318422689 817108859 /nfs/dbraw/zinc/10/88/59/817108859.db2.gz AGCJZOMDPPDRGN-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO CN(C)CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001319252416 817181972 /nfs/dbraw/zinc/18/19/72/817181972.db2.gz RFEMXFYVFUDHGJ-UHFFFAOYSA-N 1 3 296.375 -0.939 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320738479 817384118 /nfs/dbraw/zinc/38/41/18/817384118.db2.gz WIJTWUSZTRATHL-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001321190051 817457218 /nfs/dbraw/zinc/45/72/18/817457218.db2.gz SHNAITXHVAHORQ-RSNNXLNZSA-N 1 3 285.388 -0.650 20 0 CBADHO COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001321190047 817457564 /nfs/dbraw/zinc/45/75/64/817457564.db2.gz SHNAITXHVAHORQ-FGTRRKKMSA-N 1 3 285.388 -0.650 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321334687 817484497 /nfs/dbraw/zinc/48/44/97/817484497.db2.gz CJQGUWANEGQZOQ-AIMRDXAKSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321334687 817484501 /nfs/dbraw/zinc/48/45/01/817484501.db2.gz CJQGUWANEGQZOQ-AIMRDXAKSA-N 1 3 296.415 -0.275 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001189401322 823753517 /nfs/dbraw/zinc/75/35/17/823753517.db2.gz VBRQEJXOXRVJBA-CHWSQXEVSA-N 1 3 269.389 -0.004 20 0 CBADHO c1nn(-c2ncnc3c2CCNC3)c2c1C[NH2+]CC2 ZINC001165219393 819943535 /nfs/dbraw/zinc/94/35/35/819943535.db2.gz YQWLNHNSRMMYQC-UHFFFAOYSA-N 1 3 256.313 -0.046 20 0 CBADHO NCc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ncn1 ZINC001165343504 819955772 /nfs/dbraw/zinc/95/57/72/819955772.db2.gz FYIRVRZFAYHAJV-CQSZACIVSA-N 1 3 293.371 -0.479 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001166010636 819990536 /nfs/dbraw/zinc/99/05/36/819990536.db2.gz RELQQBQIUPKGSD-GHMZBOCLSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001166633678 820008540 /nfs/dbraw/zinc/00/85/40/820008540.db2.gz JIYMUSPCSDDUFO-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCO ZINC001166626827 820008653 /nfs/dbraw/zinc/00/86/53/820008653.db2.gz KKMAENZLCWWQSB-LBPRGKRZSA-N 1 3 257.378 -0.051 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001166627140 820009614 /nfs/dbraw/zinc/00/96/14/820009614.db2.gz QUCWUIWDEGIGNQ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627180 820011005 /nfs/dbraw/zinc/01/10/05/820011005.db2.gz RNHLNXKYTXYUTC-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676642 820014008 /nfs/dbraw/zinc/01/40/08/820014008.db2.gz AGQGDUNJHJHZNT-NWDGAFQWSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166677804 820014298 /nfs/dbraw/zinc/01/42/98/820014298.db2.gz NKESSIQMJYXAGQ-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166677803 820015080 /nfs/dbraw/zinc/01/50/80/820015080.db2.gz NKESSIQMJYXAGQ-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678460 820016981 /nfs/dbraw/zinc/01/69/81/820016981.db2.gz VOBFFLPUJUYUHJ-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CCOCCO)N(C)C ZINC001166851690 820041876 /nfs/dbraw/zinc/04/18/76/820041876.db2.gz DVOGJAYMAOEEIG-LBPRGKRZSA-N 1 3 275.393 -0.569 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001166852823 820042069 /nfs/dbraw/zinc/04/20/69/820042069.db2.gz XIIZBARFQYSZAW-QWRGUYRKSA-N 1 3 272.393 -0.314 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)N(C)C ZINC001166852530 820042179 /nfs/dbraw/zinc/04/21/79/820042179.db2.gz SJRFRGAJFZMCDY-LBPRGKRZSA-N 1 3 282.392 -0.286 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001166858597 820043045 /nfs/dbraw/zinc/04/30/45/820043045.db2.gz WVELMQHRNAFUKX-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CS(=O)(=O)N(c1ccc2c(n1)CC[NH2+]C2)C1CNC1 ZINC001166967640 820055503 /nfs/dbraw/zinc/05/55/03/820055503.db2.gz QURXBOFHHQIULP-UHFFFAOYSA-N 1 3 282.369 -0.535 20 0 CBADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001167627187 820108244 /nfs/dbraw/zinc/10/82/44/820108244.db2.gz LFGMWRPXSUNHIM-LBPRGKRZSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001168755273 820175065 /nfs/dbraw/zinc/17/50/65/820175065.db2.gz LMVMBASDMXRYRR-LLVKDONJSA-N 1 3 298.387 -0.771 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001168756192 820176605 /nfs/dbraw/zinc/17/66/05/820176605.db2.gz WPGFVPJNLLEJJP-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CNC(=O)CO1)C2 ZINC001169100496 820207164 /nfs/dbraw/zinc/20/71/64/820207164.db2.gz JZRHBQRPGPTTRN-WISYIIOYSA-N 1 3 253.346 -0.284 20 0 CBADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CNC(=O)CO1)C2 ZINC001169100496 820207172 /nfs/dbraw/zinc/20/71/72/820207172.db2.gz JZRHBQRPGPTTRN-WISYIIOYSA-N 1 3 253.346 -0.284 20 0 CBADHO NCc1cnnn1-c1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001169311225 820226017 /nfs/dbraw/zinc/22/60/17/820226017.db2.gz SLLWSPBNJQHVRD-SNVBAGLBSA-N 1 3 275.316 -0.353 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@@H](C[NH3+])C(=O)OC)CO1 ZINC001169334486 820239340 /nfs/dbraw/zinc/23/93/40/820239340.db2.gz LGDRWCFWNRMPJH-MXWKQRLJSA-N 1 3 288.344 -0.565 20 0 CBADHO CC(=O)N1CC[C@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169556166 820255842 /nfs/dbraw/zinc/25/58/42/820255842.db2.gz PUOQZSLTNYHXTK-AWEZNQCLSA-N 1 3 296.415 -0.297 20 0 CBADHO COC(=O)[C@@H](C[NH3+])CN[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512191 820296832 /nfs/dbraw/zinc/29/68/32/820296832.db2.gz IHZTVCDSMGJSHN-UTLUCORTSA-N 1 3 258.318 -0.334 20 0 CBADHO C[C@@H](Nc1ncc2c(n1)CNCC2)[C@@H]1C[NH2+]CCO1 ZINC001170566155 820305864 /nfs/dbraw/zinc/30/58/64/820305864.db2.gz XIEVDCIJMRTKFB-SKDRFNHKSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1nccc(C2C[NH2+]C2)n1)[C@@H]1CNCCO1 ZINC001170574912 820309100 /nfs/dbraw/zinc/30/91/00/820309100.db2.gz XRWGVUHQFWNIMW-SKDRFNHKSA-N 1 3 263.345 -0.048 20 0 CBADHO CN1CCN(c2ncc(N[C@H](N)CCC[NH3+])cn2)CC1 ZINC001170900910 820334808 /nfs/dbraw/zinc/33/48/08/820334808.db2.gz ZLLKEQATNVFWIQ-LBPRGKRZSA-N 1 3 279.392 -0.336 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001171762750 820369024 /nfs/dbraw/zinc/36/90/24/820369024.db2.gz JJLINMHYTBHHFY-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001171763010 820369944 /nfs/dbraw/zinc/36/99/44/820369944.db2.gz QGCOHQUPYRTGGS-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001171762354 820370765 /nfs/dbraw/zinc/37/07/65/820370765.db2.gz ANRXSEILOCBHBW-UHFFFAOYSA-N 1 3 299.419 -0.551 20 0 CBADHO CCN1CC[C@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001173350529 820401240 /nfs/dbraw/zinc/40/12/40/820401240.db2.gz PFJPURIZXVFOHV-ZDUSSCGKSA-N 1 3 259.394 -0.653 20 0 CBADHO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)C(N)=O ZINC001172108551 820382222 /nfs/dbraw/zinc/38/22/22/820382222.db2.gz BGYFCZHWVVCVEU-NWBUJAPZSA-N 1 3 296.415 -0.030 20 0 CBADHO [NH3+]CCN1CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173734647 820408556 /nfs/dbraw/zinc/40/85/56/820408556.db2.gz NUVYGMTULKCUIA-QWHCGFSZSA-N 1 3 279.392 -0.267 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174682607 820415125 /nfs/dbraw/zinc/41/51/25/820415125.db2.gz JXUCXABYPGVZIX-NSHDSACASA-N 1 3 284.360 -0.636 20 0 CBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176070940 820438544 /nfs/dbraw/zinc/43/85/44/820438544.db2.gz ACVZULNZKFGRKX-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176070940 820438548 /nfs/dbraw/zinc/43/85/48/820438548.db2.gz ACVZULNZKFGRKX-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975134 820483984 /nfs/dbraw/zinc/48/39/84/820483984.db2.gz KEPVVTAVNWGAPE-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001176971538 820485259 /nfs/dbraw/zinc/48/52/59/820485259.db2.gz CBCQBWDIKVMRBE-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176986678 820486858 /nfs/dbraw/zinc/48/68/58/820486858.db2.gz SDFKYPGMRSFRSW-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001176992469 820487112 /nfs/dbraw/zinc/48/71/12/820487112.db2.gz QFCXPTMJBKEEPR-LBPRGKRZSA-N 1 3 257.378 -0.051 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356769 820576765 /nfs/dbraw/zinc/57/67/65/820576765.db2.gz RFPNNGNPHIHYSV-RFQIPJPRSA-N 1 3 299.415 -0.333 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420495 820627642 /nfs/dbraw/zinc/62/76/42/820627642.db2.gz LZDIBNLQYXVRSJ-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1n[nH]c(C)n1 ZINC001189876858 823784114 /nfs/dbraw/zinc/78/41/14/823784114.db2.gz XSAQFYHBOPSTFS-UHFFFAOYSA-N 1 3 267.337 -0.209 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929368 820647411 /nfs/dbraw/zinc/64/74/11/820647411.db2.gz KEWWCQKMKPQFSI-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)C1=NN(C)C(=O)CC1 ZINC001180444260 820679539 /nfs/dbraw/zinc/67/95/39/820679539.db2.gz DDFIMYIVAXSCLX-UHFFFAOYSA-N 1 3 296.375 -0.342 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651691 820807328 /nfs/dbraw/zinc/80/73/28/820807328.db2.gz FDFHMFRANAYWIZ-VXGBXAGGSA-N 1 3 282.388 -0.641 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651527 820807881 /nfs/dbraw/zinc/80/78/81/820807881.db2.gz CPDKYLDHJDPQFK-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO COCCC1([NH3+])CCN(C(=O)C2(O)CCN(C)CC2)CC1 ZINC001182036923 820857507 /nfs/dbraw/zinc/85/75/07/820857507.db2.gz MXDQMAOTGRQYTM-UHFFFAOYSA-N 1 3 299.415 -0.201 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)C1(O)CCN(C)CC1 ZINC001182035105 820857571 /nfs/dbraw/zinc/85/75/71/820857571.db2.gz YPEHVVRATRYCDI-UHFFFAOYSA-N 1 3 269.389 -0.003 20 0 CBADHO CN1CCC(CO)(NC(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182037011 820859027 /nfs/dbraw/zinc/85/90/27/820859027.db2.gz QKAQBEWJOACCKE-UHFFFAOYSA-N 1 3 285.388 -0.984 20 0 CBADHO CN1CCC(O)(C(=O)N(CC[NH3+])c2cccnc2)CC1 ZINC001182036062 820859074 /nfs/dbraw/zinc/85/90/74/820859074.db2.gz KKSLEHHYGYBJTG-UHFFFAOYSA-N 1 3 278.356 -0.170 20 0 CBADHO CN1CCC(O)(C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001182036271 820859474 /nfs/dbraw/zinc/85/94/74/820859474.db2.gz MLUXMVZDFWHJPC-UHFFFAOYSA-N 1 3 298.431 -0.803 20 0 CBADHO CN1CCC(O)(C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001182036271 820859483 /nfs/dbraw/zinc/85/94/83/820859483.db2.gz MLUXMVZDFWHJPC-UHFFFAOYSA-N 1 3 298.431 -0.803 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268851 820985473 /nfs/dbraw/zinc/98/54/73/820985473.db2.gz YWGHWBIZANOMDR-DGCLKSJQSA-N 1 3 282.388 -0.737 20 0 CBADHO CC(C)[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)N(C)C ZINC001183366236 820990998 /nfs/dbraw/zinc/99/09/98/820990998.db2.gz PFKXCFBCNDEMGP-SNVBAGLBSA-N 1 3 290.368 -0.763 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436205 820993995 /nfs/dbraw/zinc/99/39/95/820993995.db2.gz KNNDLJKFUBMXCX-OCCSQVGLSA-N 1 3 298.431 -0.101 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])C(=O)C1C=CN=C2N=CC=C21 ZINC001183580414 821007021 /nfs/dbraw/zinc/00/70/21/821007021.db2.gz CDHNIBDCFCTKSY-VIFPVBQESA-N 1 3 282.325 -0.714 20 0 CBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001183764788 821032734 /nfs/dbraw/zinc/03/27/34/821032734.db2.gz IIGPIANQOVXVJA-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185247155 821110135 /nfs/dbraw/zinc/11/01/35/821110135.db2.gz ZBEDNPQKUIKBJW-YNEHKIRRSA-N 1 3 268.405 -0.217 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185247155 821110140 /nfs/dbraw/zinc/11/01/40/821110140.db2.gz ZBEDNPQKUIKBJW-YNEHKIRRSA-N 1 3 268.405 -0.217 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001185249241 821112890 /nfs/dbraw/zinc/11/28/90/821112890.db2.gz SGTCLXLNCNUZBK-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384332 821127183 /nfs/dbraw/zinc/12/71/83/821127183.db2.gz BNHIORMVQLEVJS-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455336 821131063 /nfs/dbraw/zinc/13/10/63/821131063.db2.gz NOONMRGJOBOFRY-YNEHKIRRSA-N 1 3 298.431 -0.102 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001185650762 821136886 /nfs/dbraw/zinc/13/68/86/821136886.db2.gz LZQOLJGFLVINHK-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001185650762 821136892 /nfs/dbraw/zinc/13/68/92/821136892.db2.gz LZQOLJGFLVINHK-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185660187 821138837 /nfs/dbraw/zinc/13/88/37/821138837.db2.gz ZOECJNRNVMDXOL-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185660187 821138843 /nfs/dbraw/zinc/13/88/43/821138843.db2.gz ZOECJNRNVMDXOL-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185763292 821141120 /nfs/dbraw/zinc/14/11/20/821141120.db2.gz RYEWTHSHBCWINI-OLZOCXBDSA-N 1 3 298.431 -0.114 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001186458406 821182144 /nfs/dbraw/zinc/18/21/44/821182144.db2.gz MMTAYHYZVPDPQH-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555704 821186861 /nfs/dbraw/zinc/18/68/61/821186861.db2.gz VATBNRMMQIINBA-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001187221152 821218368 /nfs/dbraw/zinc/21/83/68/821218368.db2.gz TYKRYLMMERAUDH-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001280659968 828371325 /nfs/dbraw/zinc/37/13/25/828371325.db2.gz OUDCQYKUKGWRRB-ZDUSSCGKSA-N 1 3 287.404 -0.208 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001187283901 822263245 /nfs/dbraw/zinc/26/32/45/822263245.db2.gz DLQDMYADVOPOAN-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834803 822297733 /nfs/dbraw/zinc/29/77/33/822297733.db2.gz IINPTTPHLIWGJX-LLVKDONJSA-N 1 3 268.361 -0.981 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834801 822298029 /nfs/dbraw/zinc/29/80/29/822298029.db2.gz IGCPXLAHFGZQJI-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825335 822298894 /nfs/dbraw/zinc/29/88/94/822298894.db2.gz KWMJPMSBEJZFOM-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825335 822298900 /nfs/dbraw/zinc/29/89/00/822298900.db2.gz KWMJPMSBEJZFOM-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187842042 822300968 /nfs/dbraw/zinc/30/09/68/822300968.db2.gz JBWRCWYSRVVRII-GFCCVEGCSA-N 1 3 255.362 -0.345 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCO ZINC001281449936 828417049 /nfs/dbraw/zinc/41/70/49/828417049.db2.gz FYJAFXMNMMDFSG-JQWIXIFHSA-N 1 3 266.345 -0.229 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921666 822311921 /nfs/dbraw/zinc/31/19/21/822311921.db2.gz OVGAMIRJNRMEKQ-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCO ZINC001282460821 828449606 /nfs/dbraw/zinc/44/96/06/828449606.db2.gz HAOXKYKMJWPGBS-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCO ZINC001282460821 828449607 /nfs/dbraw/zinc/44/96/07/828449607.db2.gz HAOXKYKMJWPGBS-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCCO)N1CCCC1 ZINC001283792640 828549165 /nfs/dbraw/zinc/54/91/65/828549165.db2.gz MYARCHPKPRSJDJ-LBPRGKRZSA-N 1 3 287.404 -0.690 20 0 CBADHO COCC[NH2+][C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001283806030 828550206 /nfs/dbraw/zinc/55/02/06/828550206.db2.gz URYGDPYTCAWIPK-NEPJUHHUSA-N 1 3 273.377 -0.959 20 0 CBADHO COCC[NH2+][C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001283806035 828550365 /nfs/dbraw/zinc/55/03/65/828550365.db2.gz URYGDPYTCAWIPK-NWDGAFQWSA-N 1 3 273.377 -0.959 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC001283941367 828560876 /nfs/dbraw/zinc/56/08/76/828560876.db2.gz XEGFFZDZBABGIZ-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001189401322 823753510 /nfs/dbraw/zinc/75/35/10/823753510.db2.gz VBRQEJXOXRVJBA-CHWSQXEVSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169599 823953428 /nfs/dbraw/zinc/95/34/28/823953428.db2.gz BDJZZXFPYIIEBD-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002306 824054661 /nfs/dbraw/zinc/05/46/61/824054661.db2.gz QZCUHCFRKQQOPJ-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002306 824054664 /nfs/dbraw/zinc/05/46/64/824054664.db2.gz QZCUHCFRKQQOPJ-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 ZINC001195661197 824128089 /nfs/dbraw/zinc/12/80/89/824128089.db2.gz JVODQZQUWDAVKE-CHWSQXEVSA-N 1 3 281.400 -0.101 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708241 824129736 /nfs/dbraw/zinc/12/97/36/824129736.db2.gz JRNNHTWZSRUZQR-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001195860179 824135723 /nfs/dbraw/zinc/13/57/23/824135723.db2.gz SNMYAELFEYZREU-VXGBXAGGSA-N 1 3 255.362 -0.491 20 0 CBADHO Cc1nc(C(=O)N(CCCC[NH3+])C(=N)N)c[nH]c1=O ZINC001196522457 824163457 /nfs/dbraw/zinc/16/34/57/824163457.db2.gz JLHOUYIQWAOGBZ-UHFFFAOYSA-N 1 3 266.305 -0.847 20 0 CBADHO COC[C@@H](O)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044400 824176528 /nfs/dbraw/zinc/17/65/28/824176528.db2.gz RVLKOILFFHHJSZ-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001197535820 824194573 /nfs/dbraw/zinc/19/45/73/824194573.db2.gz FFGIJOITXFCDAT-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001197535820 824194575 /nfs/dbraw/zinc/19/45/75/824194575.db2.gz FFGIJOITXFCDAT-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825716 824203107 /nfs/dbraw/zinc/20/31/07/824203107.db2.gz HHBUPXGMNMKCEW-VXGBXAGGSA-N 1 3 273.377 -0.866 20 0 CBADHO COCCn1ccnc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001199408852 824267740 /nfs/dbraw/zinc/26/77/40/824267740.db2.gz BNUOPYOBINVESH-UHFFFAOYSA-N 1 3 282.348 -0.396 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788753 824289318 /nfs/dbraw/zinc/28/93/18/824289318.db2.gz YZSSBQPCNQZIQV-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696171 824324563 /nfs/dbraw/zinc/32/45/63/824324563.db2.gz JIFGAQRZCYYKEO-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC)CC1)N(C)C ZINC001201238944 824329322 /nfs/dbraw/zinc/32/93/22/824329322.db2.gz FKBVVDYIQDPHGI-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1n[nH]c2c1CCC2 ZINC001201243009 824329518 /nfs/dbraw/zinc/32/95/18/824329518.db2.gz QWAWMASRNJPFBT-UHFFFAOYSA-N 1 3 264.333 -0.027 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201402083 824332572 /nfs/dbraw/zinc/33/25/72/824332572.db2.gz ANIXLXYIRZGBBM-KBPBESRZSA-N 1 3 299.415 -0.472 20 0 CBADHO COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201484720 824333335 /nfs/dbraw/zinc/33/33/35/824333335.db2.gz ZCGNARCUQNVTMW-CYBMUJFWSA-N 1 3 296.371 -0.194 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCOCCO)CC1 ZINC001202667054 824350292 /nfs/dbraw/zinc/35/02/92/824350292.db2.gz FVADMAVRMRRHNR-UHFFFAOYSA-N 1 3 296.371 -0.458 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666935 824350321 /nfs/dbraw/zinc/35/03/21/824350321.db2.gz DNCRFYWVEUJTJK-JTQLQIEISA-N 1 3 293.371 -0.333 20 0 CBADHO CN1CCN(C2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001202845356 824352754 /nfs/dbraw/zinc/35/27/54/824352754.db2.gz XCRIMXKPAQEINU-ZDUSSCGKSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001205461540 824379241 /nfs/dbraw/zinc/37/92/41/824379241.db2.gz MNLKZAVCIBCFTJ-AWEZNQCLSA-N 1 3 296.415 -0.360 20 0 CBADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001206302188 824397039 /nfs/dbraw/zinc/39/70/39/824397039.db2.gz URZOFUTXSHAXFP-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO COC(=O)[C@H]1CN(CC2CC[NH2+]CC2)CCN1C ZINC001207440659 824427446 /nfs/dbraw/zinc/42/74/46/824427446.db2.gz BGCIKCZEQWUYOA-GFCCVEGCSA-N 1 3 255.362 -0.225 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001208410549 824451623 /nfs/dbraw/zinc/45/16/23/824451623.db2.gz BGZCKERQOBKARM-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001208414455 824451839 /nfs/dbraw/zinc/45/18/39/824451839.db2.gz QITOWLGCYSGPHH-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315543 824468703 /nfs/dbraw/zinc/46/87/03/824468703.db2.gz QVHLOFJEBRLFKD-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001209444235 824470641 /nfs/dbraw/zinc/47/06/41/824470641.db2.gz DZOMJNYYTIHWFQ-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443787 824470963 /nfs/dbraw/zinc/47/09/63/824470963.db2.gz BHUVSKKZIHEZIL-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO Nc1cc[nH+]cc1CN1CCC2(CC1)CNC(=O)CO2 ZINC001209735744 824475316 /nfs/dbraw/zinc/47/53/16/824475316.db2.gz BCHBAYRLJKCNMN-UHFFFAOYSA-N 1 3 276.340 -0.025 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210217518 824478521 /nfs/dbraw/zinc/47/85/21/824478521.db2.gz JRYHDLGDZZFZHX-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213718967 824514194 /nfs/dbraw/zinc/51/41/94/824514194.db2.gz IEYYUBSKZJEACG-CHWSQXEVSA-N 1 3 287.404 -0.212 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847675 824536510 /nfs/dbraw/zinc/53/65/10/824536510.db2.gz NMCGXKSSYDDYQN-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422003 824541623 /nfs/dbraw/zinc/54/16/23/824541623.db2.gz UDUZNNZJDPTXIH-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536900 824543560 /nfs/dbraw/zinc/54/35/60/824543560.db2.gz YMQXSAZFULDMCD-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541004 824544044 /nfs/dbraw/zinc/54/40/44/824544044.db2.gz UTCSLWIDLLSSDD-JHJVBQTASA-N 1 3 296.415 -0.489 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215993985 824544598 /nfs/dbraw/zinc/54/45/98/824544598.db2.gz KXXQREJFFOFQSB-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754052 824548917 /nfs/dbraw/zinc/54/89/17/824548917.db2.gz FSARDYZTUGWCJB-FRRDWIJNSA-N 1 3 296.415 -0.489 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754052 824548921 /nfs/dbraw/zinc/54/89/21/824548921.db2.gz FSARDYZTUGWCJB-FRRDWIJNSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001216851662 824550488 /nfs/dbraw/zinc/55/04/88/824550488.db2.gz FOCLYFCDLLBQPX-JHJVBQTASA-N 1 3 296.415 -0.348 20 0 CBADHO C1C[C@H](c2nnc(C34CNCC3C[NH2+]C4)o2)CO1 ZINC001217707858 824558596 /nfs/dbraw/zinc/55/85/96/824558596.db2.gz SSXUGBHTGBOZJZ-QTZUAFFRSA-N 1 3 250.302 -0.366 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(OCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001218395358 824566515 /nfs/dbraw/zinc/56/65/15/824566515.db2.gz UUQMWHHSJLKSKY-KGLIPLIRSA-N 1 3 293.367 -0.201 20 0 CBADHO COc1nn(C)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218505351 824573717 /nfs/dbraw/zinc/57/37/17/824573717.db2.gz UKYBLULYMTXWCS-QMMMGPOBSA-N 1 3 255.322 -0.177 20 0 CBADHO COC(=O)c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001218510293 824575620 /nfs/dbraw/zinc/57/56/20/824575620.db2.gz SFVFEYVLQLXWCG-VIFPVBQESA-N 1 3 266.301 -0.127 20 0 CBADHO Cc1cc(O)cnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218517910 824581415 /nfs/dbraw/zinc/58/14/15/824581415.db2.gz JNFPBJYCNIALCF-SNVBAGLBSA-N 1 3 262.313 -0.157 20 0 CBADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n2ncnc2n1 ZINC001218527497 824584004 /nfs/dbraw/zinc/58/40/04/824584004.db2.gz LNFOTDJHLZQBRH-VIFPVBQESA-N 1 3 287.327 -0.820 20 0 CBADHO Nc1cccnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218538544 824586846 /nfs/dbraw/zinc/58/68/46/824586846.db2.gz NXQZRYJHQIBJIE-NOZJJQNGSA-N 1 3 261.329 -0.199 20 0 CBADHO COCCCN1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218583109 824599439 /nfs/dbraw/zinc/59/94/39/824599439.db2.gz ZDVNGILSXJVVBM-UONOGXRCSA-N 1 3 299.415 -0.114 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001218622588 824606586 /nfs/dbraw/zinc/60/65/86/824606586.db2.gz TWHBOCLXGMLRKE-REBBBIQUSA-N 1 3 282.735 -0.540 20 0 CBADHO O=C(Nc1cn[nH]c(=O)c1Cl)[C@H]1C[NH2+]CC12CNC2 ZINC001218630460 824608694 /nfs/dbraw/zinc/60/86/94/824608694.db2.gz DGASVRGDDMHCNE-ZCFIWIBFSA-N 1 3 283.719 -0.417 20 0 CBADHO Cn1ncc(NC(=O)[C@@H](N)CCCC[NH+](C)C)n1 ZINC001218626731 824608962 /nfs/dbraw/zinc/60/89/62/824608962.db2.gz POAJFBLMAKRACB-VIFPVBQESA-N 1 3 254.338 -0.187 20 0 CBADHO COc1nccc(N)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218633479 824610018 /nfs/dbraw/zinc/61/00/18/824610018.db2.gz JVDORJQIXJRPCR-YMTOWFKASA-N 1 3 291.355 -0.190 20 0 CBADHO COc1nc(Cl)ncc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218634926 824610320 /nfs/dbraw/zinc/61/03/20/824610320.db2.gz PBQISCYIMGTCEN-RITPCOANSA-N 1 3 271.708 -0.234 20 0 CBADHO COC(=O)c1onc(C)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218636504 824611497 /nfs/dbraw/zinc/61/14/97/824611497.db2.gz XSWLGQYNSGGXGB-QMMMGPOBSA-N 1 3 294.311 -0.483 20 0 CBADHO COc1ncnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1OC ZINC001218652089 824615598 /nfs/dbraw/zinc/61/55/98/824615598.db2.gz BRUCDOWZJHRRNV-QMMMGPOBSA-N 1 3 293.327 -0.759 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccn1 ZINC001218650812 824615841 /nfs/dbraw/zinc/61/58/41/824615841.db2.gz YNVPHFRNNTYHKF-NSHDSACASA-N 1 3 289.339 -0.213 20 0 CBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218678160 824621541 /nfs/dbraw/zinc/62/15/41/824621541.db2.gz FWUZZRRIILUDEN-SECBINFHSA-N 1 3 265.317 -0.365 20 0 CBADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc(=O)o1 ZINC001218681267 824622050 /nfs/dbraw/zinc/62/20/50/824622050.db2.gz AJUZMGJYSZHWST-JTQLQIEISA-N 1 3 263.297 -0.304 20 0 CBADHO CC(=O)c1nn(C)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218706963 824626475 /nfs/dbraw/zinc/62/64/75/824626475.db2.gz DIYPZCHXGGULGH-NSHDSACASA-N 1 3 279.344 -0.112 20 0 CBADHO CC(=O)c1nn(C)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218706961 824626545 /nfs/dbraw/zinc/62/65/45/824626545.db2.gz DIYPZCHXGGULGH-LLVKDONJSA-N 1 3 279.344 -0.112 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1[NH2+]CC[C@H]1O ZINC001218710263 824627223 /nfs/dbraw/zinc/62/72/23/824627223.db2.gz DLPMJDTZVYJHIO-ZOFUNIGCSA-N 1 3 266.301 -0.240 20 0 CBADHO [NH3+]CCNCC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218713123 824627257 /nfs/dbraw/zinc/62/72/57/824627257.db2.gz QTDCKWYTBZDLFJ-MRVPVSSYSA-N 1 3 253.306 -0.414 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713394 824627542 /nfs/dbraw/zinc/62/75/42/824627542.db2.gz OIVQDFLDWOBINZ-LLVKDONJSA-N 1 3 293.371 -0.077 20 0 CBADHO CN(C)c1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)[nH]n1 ZINC001218743609 824631652 /nfs/dbraw/zinc/63/16/52/824631652.db2.gz VGSRQGKEIQJPAL-LLVKDONJSA-N 1 3 266.349 -0.259 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@H](N)CCC[NH3+] ZINC001218743696 824632229 /nfs/dbraw/zinc/63/22/29/824632229.db2.gz WUJAKNWAQNTWHS-ZCFIWIBFSA-N 1 3 272.740 -0.644 20 0 CBADHO Cc1cnn(CCO)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218749909 824633506 /nfs/dbraw/zinc/63/35/06/824633506.db2.gz LYYKYEKFJQIXOI-NSHDSACASA-N 1 3 281.360 -0.551 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001218756691 824634352 /nfs/dbraw/zinc/63/43/52/824634352.db2.gz FOAPNLLVEIPKHG-VIFPVBQESA-N 1 3 281.316 -0.342 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218764131 824635450 /nfs/dbraw/zinc/63/54/50/824635450.db2.gz HZHLPGHIGQZNEG-APPZFPTMSA-N 1 3 263.301 -0.931 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218765288 824635621 /nfs/dbraw/zinc/63/56/21/824635621.db2.gz WGAXJDWPFCULFP-JTQLQIEISA-N 1 3 279.344 -0.164 20 0 CBADHO CCc1c(NC(=O)[C@H](N)CCC[NH3+])c(C(N)=O)nn1C ZINC001218789049 824639472 /nfs/dbraw/zinc/63/94/72/824639472.db2.gz YKPLRBITHPLIHR-SSDOTTSWSA-N 1 3 282.348 -0.914 20 0 CBADHO O=C(Nc1ccccc1CO)[C@H]1C[NH2+]CC12CNC2 ZINC001218829539 824643511 /nfs/dbraw/zinc/64/35/11/824643511.db2.gz IQHHZKDPKLXAHT-LLVKDONJSA-N 1 3 261.325 -0.074 20 0 CBADHO NC(=O)Cc1cccc(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001218955735 824650225 /nfs/dbraw/zinc/65/02/25/824650225.db2.gz YBMXGYAYKZALEP-LLVKDONJSA-N 1 3 264.329 -0.281 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]CCN1 ZINC001219027922 824653083 /nfs/dbraw/zinc/65/30/83/824653083.db2.gz IHZKDGHZTAXNHD-LBPRGKRZSA-N 1 3 276.340 -0.332 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369829 824699141 /nfs/dbraw/zinc/69/91/41/824699141.db2.gz QUZUSYPZDWQADU-NSHDSACASA-N 1 3 276.340 -0.136 20 0 CBADHO C[NH+](C)CCNC(=O)[C@H](N)Cc1cccc(O)c1 ZINC001219553801 824728090 /nfs/dbraw/zinc/72/80/90/824728090.db2.gz MLFODXAGLHKPQO-GFCCVEGCSA-N 1 3 251.330 -0.060 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCN1CCCCC1=O ZINC001219569545 824732920 /nfs/dbraw/zinc/73/29/20/824732920.db2.gz VTMXFUWLYHBEQG-JTQLQIEISA-N 1 3 288.417 -0.866 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219585053 824736599 /nfs/dbraw/zinc/73/65/99/824736599.db2.gz SEDGPXURJCMKKT-SRVKXCTJSA-N 1 3 284.404 -0.267 20 0 CBADHO Cc1cnc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nc1 ZINC001219601313 824742308 /nfs/dbraw/zinc/74/23/08/824742308.db2.gz QQHHNXBJJAJMIK-IUODEOHRSA-N 1 3 289.383 -0.357 20 0 CBADHO O=C(NC[C@H](O)c1ccco1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219604484 824850247 /nfs/dbraw/zinc/85/02/47/824850247.db2.gz PUJFDIFRXWUEQD-UHIISALHSA-N 1 3 279.340 -0.372 20 0 CBADHO C[C@H]1OCC[C@H]1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219634055 824868678 /nfs/dbraw/zinc/86/86/78/824868678.db2.gz LOTJBVVZFZJBJJ-USWWRNFRSA-N 1 3 255.362 -0.146 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCNC(N)=O)C1 ZINC001219641933 824869553 /nfs/dbraw/zinc/86/95/53/824869553.db2.gz MZJJBTTYQHWYNH-VWYCJHECSA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219648967 824873732 /nfs/dbraw/zinc/87/37/32/824873732.db2.gz CRQFRQLYCSLSQQ-XWLWVQCSSA-N 1 3 270.377 -0.800 20 0 CBADHO N[C@H](Cc1cccc(O)c1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697732 824882324 /nfs/dbraw/zinc/88/23/24/824882324.db2.gz XJPNBHJUUSINHB-GFCCVEGCSA-N 1 3 279.340 -0.897 20 0 CBADHO N[C@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1CCC(O)CC1 ZINC001219737207 824887942 /nfs/dbraw/zinc/88/79/42/824887942.db2.gz QOAJNSFXKGLSMP-TUUUFIMRSA-N 1 3 297.399 -0.641 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772895 824891111 /nfs/dbraw/zinc/89/11/11/824891111.db2.gz FFAYDQDJNSXAAJ-LLVKDONJSA-N 1 3 283.372 -0.085 20 0 CBADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@@H](F)CCN1 ZINC001219799666 824895864 /nfs/dbraw/zinc/89/58/64/824895864.db2.gz AJTLQIZPOMKNRS-SRVKXCTJSA-N 1 3 285.363 -0.039 20 0 CBADHO NC(=[NH2+])NCCCCC(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847752 824901175 /nfs/dbraw/zinc/90/11/75/824901175.db2.gz RKLDVVYNJHCALL-JBLDHEPKSA-N 1 3 283.376 -0.725 20 0 CBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219847361 824901714 /nfs/dbraw/zinc/90/17/14/824901714.db2.gz DZPMWVFXORCNOT-KTWSDMTRSA-N 1 3 251.330 -0.913 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219883208 824909928 /nfs/dbraw/zinc/90/99/28/824909928.db2.gz RNAKBDISLAUUPN-NSHDSACASA-N 1 3 270.333 -0.640 20 0 CBADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@@H](N)CCC[NH3+])OCC2 ZINC001219885147 824909952 /nfs/dbraw/zinc/90/99/52/824909952.db2.gz IRFGFXPRCRMGJW-QWRGUYRKSA-N 1 3 281.360 -0.784 20 0 CBADHO C[NH+](C)CCCCCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001219921829 824914549 /nfs/dbraw/zinc/91/45/49/824914549.db2.gz ZQJHRQJCICWXQZ-VOJFVSQTSA-N 1 3 277.434 -0.070 20 0 CBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCC[NH2+]CCO ZINC001219919047 824915188 /nfs/dbraw/zinc/91/51/88/824915188.db2.gz WFOMGVHCXBTMAT-SNVBAGLBSA-N 1 3 289.376 -0.866 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001219952114 824920441 /nfs/dbraw/zinc/92/04/41/824920441.db2.gz ONCSJNNYPOEQSI-GFCCVEGCSA-N 1 3 265.361 -0.296 20 0 CBADHO COC(=O)C1(NC(=O)[C@H](N)CCC[NH3+])CCCC1 ZINC001220048301 824944129 /nfs/dbraw/zinc/94/41/29/824944129.db2.gz NFQWUTUOOJYAOP-SECBINFHSA-N 1 3 257.334 -0.345 20 0 CBADHO O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219959144 824923144 /nfs/dbraw/zinc/92/31/44/824923144.db2.gz JYZAHDGHNBJTES-QWRGUYRKSA-N 1 3 280.372 -0.745 20 0 CBADHO O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219959144 824923155 /nfs/dbraw/zinc/92/31/55/824923155.db2.gz JYZAHDGHNBJTES-QWRGUYRKSA-N 1 3 280.372 -0.745 20 0 CBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219968158 824924620 /nfs/dbraw/zinc/92/46/20/824924620.db2.gz XKXNXDBEXIVUCL-MNOVXSKESA-N 1 3 283.376 -0.668 20 0 CBADHO N[C@@H](C(=O)NCCn1cccc1)C1CC[NH2+]CC1 ZINC001219969839 824925779 /nfs/dbraw/zinc/92/57/79/824925779.db2.gz OHNHFBNGNJVLFK-GFCCVEGCSA-N 1 3 250.346 -0.069 20 0 CBADHO COC(=O)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219974782 824926999 /nfs/dbraw/zinc/92/69/99/824926999.db2.gz FBNYYNOZBQAWJT-JTQLQIEISA-N 1 3 259.350 -0.229 20 0 CBADHO O=C(NC[C@@H]1CCCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219978930 824928334 /nfs/dbraw/zinc/92/83/34/824928334.db2.gz VNLHZDFBKJQBPQ-QWRGUYRKSA-N 1 3 253.346 -0.519 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978979 824929940 /nfs/dbraw/zinc/92/99/40/824929940.db2.gz XFWDCSAGZHBDJL-GFCCVEGCSA-N 1 3 290.367 -0.242 20 0 CBADHO CN1C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)CCC1=O ZINC001220006938 824932550 /nfs/dbraw/zinc/93/25/50/824932550.db2.gz FRIGCQRTZAOMGT-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CN1C[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCC1=O ZINC001220006852 824932719 /nfs/dbraw/zinc/93/27/19/824932719.db2.gz DMOVGHHAZUNOOI-PWSUYJOCSA-N 1 3 268.361 -0.950 20 0 CBADHO CN1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220013063 824934279 /nfs/dbraw/zinc/93/42/79/824934279.db2.gz HHPUURPTKXRCDQ-NSHDSACASA-N 1 3 252.362 -0.709 20 0 CBADHO CN1CC(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220013063 824934286 /nfs/dbraw/zinc/93/42/86/824934286.db2.gz HHPUURPTKXRCDQ-NSHDSACASA-N 1 3 252.362 -0.709 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CN(C)C1 ZINC001220012725 824934751 /nfs/dbraw/zinc/93/47/51/824934751.db2.gz AXQUFELFFJIBGU-LBPRGKRZSA-N 1 3 256.394 -0.088 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@H](N)CCC[NH3+])C1CCOCC1 ZINC001220025446 824938434 /nfs/dbraw/zinc/93/84/34/824938434.db2.gz QDNRFOQYCAEQSI-MNOVXSKESA-N 1 3 287.360 -0.863 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1ccc(C[NH3+])cc1=N ZINC001220045022 824941851 /nfs/dbraw/zinc/94/18/51/824941851.db2.gz IJYGLDXSIROAJR-ZANVPECISA-N 1 3 293.371 -0.444 20 0 CBADHO N=c1cc(C[NH3+])ccn1C(=O)CN1CCCC[C@H](N)C1=O ZINC001220045278 824943787 /nfs/dbraw/zinc/94/37/87/824943787.db2.gz SQXMABSDYYZNCS-NSHDSACASA-N 1 3 291.355 -0.594 20 0 CBADHO O=C(NCCc1cc[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062018 824946561 /nfs/dbraw/zinc/94/65/61/824946561.db2.gz JFMSWSKTAHGAEK-LBPRGKRZSA-N 1 3 277.372 -0.057 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220071686 824951860 /nfs/dbraw/zinc/95/18/60/824951860.db2.gz NKIFSOUVLBEYPU-LLVKDONJSA-N 1 3 275.356 -0.603 20 0 CBADHO COC(=O)[C@H](CCSC)NC(=O)[C@H](N)CCC[NH3+] ZINC001220079210 824952108 /nfs/dbraw/zinc/95/21/08/824952108.db2.gz CDPVQMVVNFAKDH-BDAKNGLRSA-N 1 3 277.390 -0.537 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(=N)SCC[NH3+] ZINC001220106624 824955804 /nfs/dbraw/zinc/95/58/04/824955804.db2.gz VEWYWTASAOCQDC-CBAPKCEASA-N 1 3 289.405 -0.781 20 0 CBADHO CCC(CO)(CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220110056 824957252 /nfs/dbraw/zinc/95/72/52/824957252.db2.gz QAMAMWPVZAFYPO-LLVKDONJSA-N 1 3 285.388 -0.890 20 0 CBADHO CCC(CO)(CO)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220110056 824957257 /nfs/dbraw/zinc/95/72/57/824957257.db2.gz QAMAMWPVZAFYPO-LLVKDONJSA-N 1 3 285.388 -0.890 20 0 CBADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220112910 824958360 /nfs/dbraw/zinc/95/83/60/824958360.db2.gz DPBOWQOUBQIJNO-OLZOCXBDSA-N 1 3 291.351 -0.649 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220115202 824958948 /nfs/dbraw/zinc/95/89/48/824958948.db2.gz JHZOMVNDDMKWOO-YPMHNXCESA-N 1 3 281.356 -0.522 20 0 CBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220125064 824961897 /nfs/dbraw/zinc/96/18/97/824961897.db2.gz WVCZGODOKLJJPK-SECBINFHSA-N 1 3 265.317 -0.244 20 0 CBADHO N[C@@H](C(=O)NCCOC(F)(F)F)C1CC[NH2+]CC1 ZINC001220138721 824965361 /nfs/dbraw/zinc/96/53/61/824965361.db2.gz DWOIUYZLDNXXOS-MRVPVSSYSA-N 1 3 269.267 -0.034 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCOC(F)(F)F ZINC001220139019 824965442 /nfs/dbraw/zinc/96/54/42/824965442.db2.gz LWRWCUAQUIRKBH-LURJTMIESA-N 1 3 275.296 -0.342 20 0 CBADHO N[C@H](C(=O)NCCOC(F)(F)F)C1CC[NH2+]CC1 ZINC001220138722 824965453 /nfs/dbraw/zinc/96/54/53/824965453.db2.gz DWOIUYZLDNXXOS-QMMMGPOBSA-N 1 3 269.267 -0.034 20 0 CBADHO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001220141741 824966576 /nfs/dbraw/zinc/96/65/76/824966576.db2.gz UEMBMGJEPYNZQO-GMTAPVOTSA-N 1 3 289.401 -0.995 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143311 824967192 /nfs/dbraw/zinc/96/71/92/824967192.db2.gz BNKIBPHOFMHVGZ-JTQLQIEISA-N 1 3 289.401 -0.864 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220141093 824967261 /nfs/dbraw/zinc/96/72/61/824967261.db2.gz GAAOOEWWNDBCMA-YNEHKIRRSA-N 1 3 287.404 -0.034 20 0 CBADHO O=C(NCc1cc[nH]c(=O)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220148234 824969080 /nfs/dbraw/zinc/96/90/80/824969080.db2.gz RJLXCYGBEVYMNB-BXUZGUMPSA-N 1 3 276.340 -0.398 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220157067 824973195 /nfs/dbraw/zinc/97/31/95/824973195.db2.gz WDBYCDDSQLRLDB-NTZNESFSSA-N 1 3 252.362 -0.852 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCN(C)C1 ZINC001220160022 824975338 /nfs/dbraw/zinc/97/53/38/824975338.db2.gz VFPVZYVSUNURND-GVXVVHGQSA-N 1 3 284.404 -0.314 20 0 CBADHO O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220181287 824978978 /nfs/dbraw/zinc/97/89/78/824978978.db2.gz IJCWYXFAVZRUCV-SRVKXCTJSA-N 1 3 283.372 -0.873 20 0 CBADHO O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220181287 824978986 /nfs/dbraw/zinc/97/89/86/824978986.db2.gz IJCWYXFAVZRUCV-SRVKXCTJSA-N 1 3 283.372 -0.873 20 0 CBADHO Cc1ncc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001220177948 824979963 /nfs/dbraw/zinc/97/99/63/824979963.db2.gz WPBAJSQCWMEQST-GFCCVEGCSA-N 1 3 263.345 -0.272 20 0 CBADHO O=C(NC[C@@H]1CCNCC1(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001220185379 824983114 /nfs/dbraw/zinc/98/31/14/824983114.db2.gz GVBYALGYFOAUKR-VHSXEESVSA-N 1 3 288.342 -0.844 20 0 CBADHO O=C(NC[C@H]1C[C@@H](O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220191923 824984687 /nfs/dbraw/zinc/98/46/87/824984687.db2.gz UTIHSLSWDHUZQO-GRYCIOLGSA-N 1 3 267.373 -0.252 20 0 CBADHO O=C(NC[C@H]1C[C@@H](O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220191923 824984690 /nfs/dbraw/zinc/98/46/90/824984690.db2.gz UTIHSLSWDHUZQO-GRYCIOLGSA-N 1 3 267.373 -0.252 20 0 CBADHO CCOC(=O)CC1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)COC1 ZINC001220214570 824987792 /nfs/dbraw/zinc/98/77/92/824987792.db2.gz DFMQVDAVFZWTQF-LBPRGKRZSA-N 1 3 299.371 -0.848 20 0 CBADHO CCOC(CCNC(=O)[C@H]1C[NH2+]CC12CNC2)OCC ZINC001220231167 824990534 /nfs/dbraw/zinc/99/05/34/824990534.db2.gz WZALSVPYYBOALT-LLVKDONJSA-N 1 3 285.388 -0.299 20 0 CBADHO CCOC(CCNC(=O)[C@@H](N)CSCC[NH3+])OCC ZINC001220231063 824991696 /nfs/dbraw/zinc/99/16/96/824991696.db2.gz UIZQLBUHCRNSSE-JTQLQIEISA-N 1 3 293.433 -0.089 20 0 CBADHO CN1C[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)CC1=O ZINC001220245225 824993393 /nfs/dbraw/zinc/99/33/93/824993393.db2.gz KPAJYIVEDUNEKN-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220254082 824995567 /nfs/dbraw/zinc/99/55/67/824995567.db2.gz JDMWXCKOWSLOEV-NSHDSACASA-N 1 3 267.377 -0.017 20 0 CBADHO Cn1cc(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001220276458 825002776 /nfs/dbraw/zinc/00/27/76/825002776.db2.gz KSOHAXYUDDDTHY-LBPRGKRZSA-N 1 3 265.361 -0.594 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220277148 825002846 /nfs/dbraw/zinc/00/28/46/825002846.db2.gz SHXIGJUMKYYDFK-MJBXVCDLSA-N 1 3 299.415 -0.332 20 0 CBADHO Cn1cc(CCNC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001220276773 825003883 /nfs/dbraw/zinc/00/38/83/825003883.db2.gz QFABEEIEZQVAAX-NSHDSACASA-N 1 3 253.350 -0.465 20 0 CBADHO O=C(NCC1OCCO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220289026 825007368 /nfs/dbraw/zinc/00/73/68/825007368.db2.gz PQCFRLVMXHNANS-JTQLQIEISA-N 1 3 269.345 -0.650 20 0 CBADHO O=C(NCC1OCCO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220289026 825007375 /nfs/dbraw/zinc/00/73/75/825007375.db2.gz PQCFRLVMXHNANS-JTQLQIEISA-N 1 3 269.345 -0.650 20 0 CBADHO C[C@@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C1 ZINC001220312712 825011766 /nfs/dbraw/zinc/01/17/66/825011766.db2.gz CLHPJVMYDXPQTN-CQSZACIVSA-N 1 3 277.372 -0.008 20 0 CBADHO N[C@@H](C(=O)N[C@@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329170 825015193 /nfs/dbraw/zinc/01/51/93/825015193.db2.gz IDLVUCKTCAIEIU-VXGBXAGGSA-N 1 3 267.373 -0.001 20 0 CBADHO NC(C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC001220321901 825015434 /nfs/dbraw/zinc/01/54/34/825015434.db2.gz ZVZRHNSNSZHWEA-QXFUBDJGSA-N 1 3 281.278 -0.097 20 0 CBADHO N[C@H](C(=O)N[C@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329169 825015466 /nfs/dbraw/zinc/01/54/66/825015466.db2.gz IDLVUCKTCAIEIU-RYUDHWBXSA-N 1 3 267.373 -0.001 20 0 CBADHO O=C(NCC1(O)CCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220383985 825026660 /nfs/dbraw/zinc/02/66/60/825026660.db2.gz GJAHANACCZJDPI-LLVKDONJSA-N 1 3 267.373 -0.108 20 0 CBADHO O=C(NCC1(O)CCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220383985 825026670 /nfs/dbraw/zinc/02/66/70/825026670.db2.gz GJAHANACCZJDPI-LLVKDONJSA-N 1 3 267.373 -0.108 20 0 CBADHO COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220406759 825032882 /nfs/dbraw/zinc/03/28/82/825032882.db2.gz WOKHWNFMYYQKJI-GUBZILKMSA-N 1 3 289.401 -0.537 20 0 CBADHO COC(=O)[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220406143 825033721 /nfs/dbraw/zinc/03/37/21/825033721.db2.gz LCRBCDSPIVCIMR-FUTJPDQTSA-N 1 3 295.383 -0.357 20 0 CBADHO N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@H]2COCCN2)cc1 ZINC001220431591 825039641 /nfs/dbraw/zinc/03/96/41/825039641.db2.gz KKWXIHNTPVWRNA-STQMWFEESA-N 1 3 278.356 -0.637 20 0 CBADHO O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220447706 825041175 /nfs/dbraw/zinc/04/11/75/825041175.db2.gz OCISRYAZKUHCIC-IUCAKERBSA-N 1 3 295.305 -0.100 20 0 CBADHO O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220447706 825041179 /nfs/dbraw/zinc/04/11/79/825041179.db2.gz OCISRYAZKUHCIC-IUCAKERBSA-N 1 3 295.305 -0.100 20 0 CBADHO O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220466319 825044840 /nfs/dbraw/zinc/04/48/40/825044840.db2.gz ATMYVNQLWMUAIA-QWHCGFSZSA-N 1 3 281.400 -0.147 20 0 CBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2(N)CC2)O1 ZINC001220481556 825048344 /nfs/dbraw/zinc/04/83/44/825048344.db2.gz KJYUOWMOKMRIFT-BBBLOLIVSA-N 1 3 257.334 -0.681 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499725 825051097 /nfs/dbraw/zinc/05/10/97/825051097.db2.gz BTPXYHKRACSNRN-ZKTNFTSUSA-N 1 3 283.397 -0.102 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CC(F)F)CC[NH2+]C1 ZINC001220522996 825055265 /nfs/dbraw/zinc/05/52/65/825055265.db2.gz HWGJJVDKSKPMJH-QMMMGPOBSA-N 1 3 291.298 -0.104 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220529479 825058103 /nfs/dbraw/zinc/05/81/03/825058103.db2.gz BWDXLBMRKIJRIA-ZETCQYMHSA-N 1 3 289.792 -0.235 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001220588316 825070624 /nfs/dbraw/zinc/07/06/24/825070624.db2.gz SLEIQAXWCIXBHR-BQBZGAKWSA-N 1 3 295.261 -0.985 20 0 CBADHO O=C(N[C@H]1CNc2ccccc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220599258 825076596 /nfs/dbraw/zinc/07/65/96/825076596.db2.gz QXOUDVXMKFGLGH-OLZOCXBDSA-N 1 3 286.379 -0.052 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673638 825081606 /nfs/dbraw/zinc/08/16/06/825081606.db2.gz GUXXDMBMYBYWKZ-LBPRGKRZSA-N 1 3 288.355 -0.050 20 0 CBADHO CS(=O)(=O)c1ccccc1CNC(=O)[C@H](N)CCC[NH3+] ZINC001220684013 825084496 /nfs/dbraw/zinc/08/44/96/825084496.db2.gz VQILHSCARCMRHG-LLVKDONJSA-N 1 3 299.396 -0.228 20 0 CBADHO C[C@H]1COCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220725750 825093773 /nfs/dbraw/zinc/09/37/73/825093773.db2.gz XSQKVZWNIWRBFI-GZBFAFLISA-N 1 3 296.415 -0.978 20 0 CBADHO COC(=O)CC1(NC(=O)[C@@H](N)CCC[NH3+])CCOCC1 ZINC001220731284 825093813 /nfs/dbraw/zinc/09/38/13/825093813.db2.gz KCYSPTVQBULHSE-JTQLQIEISA-N 1 3 287.360 -0.719 20 0 CBADHO CC1(C)[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1O ZINC001220766067 825098943 /nfs/dbraw/zinc/09/89/43/825098943.db2.gz LBMDTEDGFRZKPJ-YIZRAAEISA-N 1 3 261.391 -0.719 20 0 CBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220765868 825099877 /nfs/dbraw/zinc/09/98/77/825099877.db2.gz GYGFABAHPNNWDL-OPRDCNLKSA-N 1 3 253.346 -0.929 20 0 CBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220766066 825099934 /nfs/dbraw/zinc/09/99/34/825099934.db2.gz LBMDTEDGFRZKPJ-XHNCKOQMSA-N 1 3 261.391 -0.719 20 0 CBADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3COC4(CNC4)CN3)(C1)CCC2 ZINC001220777010 825100866 /nfs/dbraw/zinc/10/08/66/825100866.db2.gz CBCFZSLUSZFRHW-KWCYVHTRSA-N 1 3 294.399 -0.763 20 0 CBADHO CN[C@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)[C@@H](C)O ZINC001220779139 825101540 /nfs/dbraw/zinc/10/15/40/825101540.db2.gz NERLZFWUOIFPAK-DNIRFERGSA-N 1 3 255.362 -0.125 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220848780 825110889 /nfs/dbraw/zinc/11/08/89/825110889.db2.gz IVSBRWAMHHVRAH-KOLCDFICSA-N 1 3 271.361 -0.371 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220848559 825111170 /nfs/dbraw/zinc/11/11/70/825111170.db2.gz AAMKQWJENHRBJS-UWVGGRQHSA-N 1 3 259.350 -0.242 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220848736 825111258 /nfs/dbraw/zinc/11/12/58/825111258.db2.gz HDNIGPCXUXZMJF-BDAKNGLRSA-N 1 3 277.390 -0.679 20 0 CBADHO O=C(NCCc1cnc2cc[nH]cc1-2)[C@@H]1C[NH2+]C[C@H]1O ZINC001220865827 825115202 /nfs/dbraw/zinc/11/52/02/825115202.db2.gz MIYCMJXDBMKANL-DGCLKSJQSA-N 1 3 274.324 -0.198 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1C[NH2+]C[C@H]1O ZINC001220865827 825115207 /nfs/dbraw/zinc/11/52/07/825115207.db2.gz MIYCMJXDBMKANL-DGCLKSJQSA-N 1 3 274.324 -0.198 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862326 825115376 /nfs/dbraw/zinc/11/53/76/825115376.db2.gz XLGPAPRDZXDVDT-GHMZBOCLSA-N 1 3 259.350 -0.288 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865661 825115427 /nfs/dbraw/zinc/11/54/27/825115427.db2.gz GQWQMAPRSKOJQD-NSHDSACASA-N 1 3 261.329 -0.102 20 0 CBADHO CCC[C@@H](CCO)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220868442 825115873 /nfs/dbraw/zinc/11/58/73/825115873.db2.gz JSVWBUSDSUQWFF-QWRGUYRKSA-N 1 3 255.362 -0.537 20 0 CBADHO COc1cncc(CNC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001220872298 825118515 /nfs/dbraw/zinc/11/85/15/825118515.db2.gz SKIJLPWZBSFDDO-NSHDSACASA-N 1 3 284.385 -0.274 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221242909 825158515 /nfs/dbraw/zinc/15/85/15/825158515.db2.gz BEWPLTLFVSBUTC-XHNCKOQMSA-N 1 3 265.354 -0.751 20 0 CBADHO COC(=O)C[C@H](NC(=O)[C@H](N)CCC[NH3+])c1ccccn1 ZINC001220901247 825122496 /nfs/dbraw/zinc/12/24/96/825122496.db2.gz VEESRPXOYKQUFF-PWSUYJOCSA-N 1 3 294.355 -0.132 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937435 825127345 /nfs/dbraw/zinc/12/73/45/825127345.db2.gz RINZDNSSOGALDS-YUMQZZPRSA-N 1 3 251.277 -0.536 20 0 CBADHO Nc1ccc([C@H](CCO)NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001220953145 825128593 /nfs/dbraw/zinc/12/85/93/825128593.db2.gz MIDBJOKPMSUCTG-STQMWFEESA-N 1 3 280.372 -0.125 20 0 CBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H](N)CCC[NH3+] ZINC001220960341 825129701 /nfs/dbraw/zinc/12/97/01/825129701.db2.gz LZKQIBXZAMBJSE-MXWKQRLJSA-N 1 3 287.360 -0.863 20 0 CBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976437 825131988 /nfs/dbraw/zinc/13/19/88/825131988.db2.gz ZHKPMVDEESNCCV-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976437 825131992 /nfs/dbraw/zinc/13/19/92/825131992.db2.gz ZHKPMVDEESNCCV-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976411 825132877 /nfs/dbraw/zinc/13/28/77/825132877.db2.gz YKMQYQIVTPOCQV-UPJWGTAASA-N 1 3 285.388 -0.864 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976411 825132881 /nfs/dbraw/zinc/13/28/81/825132881.db2.gz YKMQYQIVTPOCQV-UPJWGTAASA-N 1 3 285.388 -0.864 20 0 CBADHO Cc1nnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)o1 ZINC001221010588 825135400 /nfs/dbraw/zinc/13/54/00/825135400.db2.gz LRKOQKKZMUGTBM-JTQLQIEISA-N 1 3 279.344 -0.132 20 0 CBADHO Cc1nnc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)o1 ZINC001221010588 825135404 /nfs/dbraw/zinc/13/54/04/825135404.db2.gz LRKOQKKZMUGTBM-JTQLQIEISA-N 1 3 279.344 -0.132 20 0 CBADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001221010312 825135889 /nfs/dbraw/zinc/13/58/89/825135889.db2.gz FHMCDGQWZOBABF-AEJSXWLSSA-N 1 3 261.391 -0.311 20 0 CBADHO CCOc1cccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001221065247 825140399 /nfs/dbraw/zinc/14/03/99/825140399.db2.gz DOPJLYOGDGTEFM-GFCCVEGCSA-N 1 3 290.367 -0.095 20 0 CBADHO Cc1nccnc1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001221103399 825142978 /nfs/dbraw/zinc/14/29/78/825142978.db2.gz LRMUYSRBHJIFKK-JTQLQIEISA-N 1 3 251.334 -0.142 20 0 CBADHO CCn1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)ccc1=O ZINC001221176501 825149989 /nfs/dbraw/zinc/14/99/89/825149989.db2.gz BCBZVEGSFGKUNA-LLVKDONJSA-N 1 3 276.340 -0.384 20 0 CBADHO COCC1(CNC(=O)[C@H](N)C2CC[NH2+]CC2)CCOCC1 ZINC001221176619 825150251 /nfs/dbraw/zinc/15/02/51/825150251.db2.gz GTQMUKBRRVSWCA-CYBMUJFWSA-N 1 3 299.415 -0.127 20 0 CBADHO C[N@@H+]1CCC[C@](C)(NC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001221241091 825158823 /nfs/dbraw/zinc/15/88/23/825158823.db2.gz NJWJLPNQMVSITE-YPMHNXCESA-N 1 3 265.361 -0.120 20 0 CBADHO C[N@H+]1CCC[C@](C)(NC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001221241091 825158829 /nfs/dbraw/zinc/15/88/29/825158829.db2.gz NJWJLPNQMVSITE-YPMHNXCESA-N 1 3 265.361 -0.120 20 0 CBADHO CN1CCC[C@@](C)(NC(=O)CNC2CC[NH2+]CC2)C1 ZINC001221241491 825158908 /nfs/dbraw/zinc/15/89/08/825158908.db2.gz WIASMIFXOJSNQY-CQSZACIVSA-N 1 3 268.405 -0.072 20 0 CBADHO C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001221241088 825159143 /nfs/dbraw/zinc/15/91/43/825159143.db2.gz NJWJLPNQMVSITE-AAEUAGOBSA-N 1 3 265.361 -0.120 20 0 CBADHO C[N@H+]1CCC[C@](C)(NC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001221241088 825159146 /nfs/dbraw/zinc/15/91/46/825159146.db2.gz NJWJLPNQMVSITE-AAEUAGOBSA-N 1 3 265.361 -0.120 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1CN(C2COC2)C1 ZINC001221246337 825162421 /nfs/dbraw/zinc/16/24/21/825162421.db2.gz YEYUOLNVCRVCEZ-ZDUSSCGKSA-N 1 3 284.404 -0.755 20 0 CBADHO CC(C)(O)[C@H](F)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221260151 825164408 /nfs/dbraw/zinc/16/44/08/825164408.db2.gz JAAVZGTXTULXJF-ZJUUUORDSA-N 1 3 261.341 -0.462 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1=CC(=O)NCC1 ZINC001221316127 825169398 /nfs/dbraw/zinc/16/93/98/825169398.db2.gz GGJSRKNVTKGGIP-NSHDSACASA-N 1 3 268.361 -0.434 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319091 825171514 /nfs/dbraw/zinc/17/15/14/825171514.db2.gz MHNCLNAUHFXJEC-QMMMGPOBSA-N 1 3 257.725 -0.188 20 0 CBADHO O=C(NC1=CCOC1=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221333164 825172798 /nfs/dbraw/zinc/17/27/98/825172798.db2.gz VQAQLBKMKYLYAW-VIFPVBQESA-N 1 3 265.313 -0.583 20 0 CBADHO O=C(NC1=CCOC1=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221333164 825172800 /nfs/dbraw/zinc/17/28/00/825172800.db2.gz VQAQLBKMKYLYAW-VIFPVBQESA-N 1 3 265.313 -0.583 20 0 CBADHO O=C(NC[C@@H](O)CF)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221339085 825173929 /nfs/dbraw/zinc/17/39/29/825173929.db2.gz VXXCIEVURQMGPU-VHSXEESVSA-N 1 3 259.325 -0.693 20 0 CBADHO O=C(NC[C@@H](O)CF)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221339085 825173931 /nfs/dbraw/zinc/17/39/31/825173931.db2.gz VXXCIEVURQMGPU-VHSXEESVSA-N 1 3 259.325 -0.693 20 0 CBADHO COc1cnccc1CCNC(=O)[C@@H](N)CCC[NH3+] ZINC001221338556 825174048 /nfs/dbraw/zinc/17/40/48/825174048.db2.gz ZLMGVQGBCXTCDC-NSHDSACASA-N 1 3 266.345 -0.185 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221370041 825177366 /nfs/dbraw/zinc/17/73/66/825177366.db2.gz OTKBTORXQNYZPG-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221377027 825179362 /nfs/dbraw/zinc/17/93/62/825179362.db2.gz PPSOIJJIVCSRCQ-GHMZBOCLSA-N 1 3 255.362 -0.252 20 0 CBADHO CC[C@H](CO)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221377027 825179364 /nfs/dbraw/zinc/17/93/64/825179364.db2.gz PPSOIJJIVCSRCQ-GHMZBOCLSA-N 1 3 255.362 -0.252 20 0 CBADHO C[C@]1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCOC1 ZINC001221402364 825182630 /nfs/dbraw/zinc/18/26/30/825182630.db2.gz FCAMDXNKUXEWOM-KWCYVHTRSA-N 1 3 267.373 -0.129 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221409058 825185742 /nfs/dbraw/zinc/18/57/42/825185742.db2.gz MBWDKWAGOMYOHB-AVCJSFLBSA-N 1 3 287.429 -0.413 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791689 825193589 /nfs/dbraw/zinc/19/35/89/825193589.db2.gz YBLUMUDGGSZGOH-HZSPNIEDSA-N 1 3 299.415 -0.522 20 0 CBADHO O=C1NCC[C@@]12CN(CCCCO)CC21C[NH2+]C1 ZINC001222520083 825215359 /nfs/dbraw/zinc/21/53/59/825215359.db2.gz ATISVGTWHWPZHQ-CYBMUJFWSA-N 1 3 253.346 -0.830 20 0 CBADHO O=C1NCC[C@@]12C[N@H+](CCCCO)CC21CNC1 ZINC001222520083 825215362 /nfs/dbraw/zinc/21/53/62/825215362.db2.gz ATISVGTWHWPZHQ-CYBMUJFWSA-N 1 3 253.346 -0.830 20 0 CBADHO O=C1NCC[C@@]12C[N@@H+](CCCCO)CC21CNC1 ZINC001222520083 825215367 /nfs/dbraw/zinc/21/53/67/825215367.db2.gz ATISVGTWHWPZHQ-CYBMUJFWSA-N 1 3 253.346 -0.830 20 0 CBADHO O=C1NCC[C@]12CN(CCCCO)CC21C[NH2+]C1 ZINC001222520084 825215401 /nfs/dbraw/zinc/21/54/01/825215401.db2.gz ATISVGTWHWPZHQ-ZDUSSCGKSA-N 1 3 253.346 -0.830 20 0 CBADHO O=C1NCC[C@]12C[N@H+](CCCCO)CC21CNC1 ZINC001222520084 825215404 /nfs/dbraw/zinc/21/54/04/825215404.db2.gz ATISVGTWHWPZHQ-ZDUSSCGKSA-N 1 3 253.346 -0.830 20 0 CBADHO O=C1NCC[C@]12C[N@@H+](CCCCO)CC21CNC1 ZINC001222520084 825215408 /nfs/dbraw/zinc/21/54/08/825215408.db2.gz ATISVGTWHWPZHQ-ZDUSSCGKSA-N 1 3 253.346 -0.830 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001228365742 825315677 /nfs/dbraw/zinc/31/56/77/825315677.db2.gz IMQFLMICYRIGSI-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO Cn1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770183 825415764 /nfs/dbraw/zinc/41/57/64/825415764.db2.gz QMGWCTIGYYTYNB-NEPJUHHUSA-N 1 3 292.383 -0.533 20 0 CBADHO Cn1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770183 825415766 /nfs/dbraw/zinc/41/57/66/825415766.db2.gz QMGWCTIGYYTYNB-NEPJUHHUSA-N 1 3 292.383 -0.533 20 0 CBADHO C[C@H](N)C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542362 825501425 /nfs/dbraw/zinc/50/14/25/825501425.db2.gz QFSNHFRWUOHQNY-SCRDCRAPSA-N 1 3 285.388 -0.613 20 0 CBADHO C[C@H](N)C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001235542362 825501428 /nfs/dbraw/zinc/50/14/28/825501428.db2.gz QFSNHFRWUOHQNY-SCRDCRAPSA-N 1 3 285.388 -0.613 20 0 CBADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(CC[NH3+])C2)CC1 ZINC001235614148 825506481 /nfs/dbraw/zinc/50/64/81/825506481.db2.gz BFPGSAUAMORSAL-AWEZNQCLSA-N 1 3 292.431 -0.479 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC001236052646 825521732 /nfs/dbraw/zinc/52/17/32/825521732.db2.gz CLACUYANGKGZFZ-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@@H]1C[N@H+](CC(C)(C)N2CCOCC2)C[C@H]1N ZINC001236344573 825528047 /nfs/dbraw/zinc/52/80/47/825528047.db2.gz RLPORHOMIBWCDF-VXGBXAGGSA-N 1 3 285.388 -0.471 20 0 CBADHO COC(=O)[C@@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@H]1N ZINC001236344573 825528050 /nfs/dbraw/zinc/52/80/50/825528050.db2.gz RLPORHOMIBWCDF-VXGBXAGGSA-N 1 3 285.388 -0.471 20 0 CBADHO CC[NH+](CC)CCCCNS(=O)(=O)CCN ZINC001238367983 825553423 /nfs/dbraw/zinc/55/34/23/825553423.db2.gz UCSZQVHJCZVTPV-UHFFFAOYSA-N 1 3 251.396 -0.014 20 0 CBADHO [NH3+]CCS(=O)(=O)NC1CCN(C2CCC2)CC1 ZINC001238594210 825556503 /nfs/dbraw/zinc/55/65/03/825556503.db2.gz DVUXFIKSAUQYBU-UHFFFAOYSA-N 1 3 261.391 -0.119 20 0 CBADHO COCCC1(NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238823649 825565378 /nfs/dbraw/zinc/56/53/78/825565378.db2.gz VLNWMFAGQNARAH-UHFFFAOYSA-N 1 3 265.379 -0.977 20 0 CBADHO NCCS(=O)(=O)NCCc1ccc(C[NH3+])cc1 ZINC001238889527 825570122 /nfs/dbraw/zinc/57/01/22/825570122.db2.gz GYSGMLFHIMCEFZ-UHFFFAOYSA-N 1 3 257.359 -0.434 20 0 CBADHO NCCS(=O)(=O)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001238955878 825576921 /nfs/dbraw/zinc/57/69/21/825576921.db2.gz WHRNYUDDXGOLRT-ZETCQYMHSA-N 1 3 257.306 -0.809 20 0 CBADHO C[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CCN1 ZINC001238987795 825580578 /nfs/dbraw/zinc/58/05/78/825580578.db2.gz GYYUEMFFRSINJQ-LLVKDONJSA-N 1 3 275.418 0.000 20 0 CBADHO NCCS(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001239040871 825583900 /nfs/dbraw/zinc/58/39/00/825583900.db2.gz JURXIFVETXPDSN-UHFFFAOYSA-N 1 3 261.391 -0.260 20 0 CBADHO NCCS(=O)(=O)N1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001239073430 825584852 /nfs/dbraw/zinc/58/48/52/825584852.db2.gz MZQLCLQMRSACHL-VHSXEESVSA-N 1 3 265.354 -0.702 20 0 CBADHO NCCS(=O)(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001239085228 825586077 /nfs/dbraw/zinc/58/60/77/825586077.db2.gz UFUOLRRVGQCJKU-UHFFFAOYSA-N 1 3 275.418 -0.014 20 0 CBADHO NCCS(=O)(=O)N1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001239099617 825587499 /nfs/dbraw/zinc/58/74/99/825587499.db2.gz QQMCKLVYROCLCO-RQJHMYQMSA-N 1 3 275.296 -0.514 20 0 CBADHO NCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001239136800 825592869 /nfs/dbraw/zinc/59/28/69/825592869.db2.gz MRFCYQJXNJRCRZ-RNFRBKRXSA-N 1 3 275.296 -0.514 20 0 CBADHO NCCS(=O)(=O)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001239146084 825595263 /nfs/dbraw/zinc/59/52/63/825595263.db2.gz SUXNPWMLLKEFBC-UHFFFAOYSA-N 1 3 298.412 -0.076 20 0 CBADHO COC(=O)[C@H](C)NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214223 825596863 /nfs/dbraw/zinc/59/68/63/825596863.db2.gz GJYVCXXENIEMPL-WDEREUQCSA-N 1 3 298.387 -0.279 20 0 CBADHO COCCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363307 825600204 /nfs/dbraw/zinc/60/02/04/825600204.db2.gz MPDHJVYRGUPBMU-NSHDSACASA-N 1 3 286.445 -0.029 20 0 CBADHO OC1(C[NH2+]C[C@]2(O)CCNC[C@@H]2F)CCOCC1 ZINC001245972156 825615943 /nfs/dbraw/zinc/61/59/43/825615943.db2.gz HPUREJJOGMYQSR-CMPLNLGQSA-N 1 3 262.325 -0.820 20 0 CBADHO CC(C)OC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245972957 825616328 /nfs/dbraw/zinc/61/63/28/825616328.db2.gz IYJDUMGLXQVWCE-GRYCIOLGSA-N 1 3 264.341 -0.576 20 0 CBADHO CCOC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245971776 825616882 /nfs/dbraw/zinc/61/68/82/825616882.db2.gz HERPYZRXVHQPTK-GARJFASQSA-N 1 3 250.314 -0.964 20 0 CBADHO CC(C)OC[C@@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246027930 825625348 /nfs/dbraw/zinc/62/53/48/825625348.db2.gz YXQPSVPBMUQPTM-QWHCGFSZSA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246027930 825625354 /nfs/dbraw/zinc/62/53/54/825625354.db2.gz YXQPSVPBMUQPTM-QWHCGFSZSA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246027930 825625359 /nfs/dbraw/zinc/62/53/59/825625359.db2.gz YXQPSVPBMUQPTM-QWHCGFSZSA-N 1 3 260.378 -0.052 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@H](O)CN1CCOCC1 ZINC001245984543 825618569 /nfs/dbraw/zinc/61/85/69/825618569.db2.gz QRPZRYPMGAZMKQ-MCIONIFRSA-N 1 3 271.405 -0.485 20 0 CBADHO CCCOC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246008996 825621143 /nfs/dbraw/zinc/62/11/43/825621143.db2.gz QRQWQTJYLYKCMH-MNOVXSKESA-N 1 3 261.366 -0.654 20 0 CBADHO C[C@]1([NH3+])CCCN(C[C@H](O)CN2CCOCC2)CC1 ZINC001246021587 825623675 /nfs/dbraw/zinc/62/36/75/825623675.db2.gz ODDNPPDPZAMAHY-KBPBESRZSA-N 1 3 271.405 -0.117 20 0 CBADHO CC(=O)N1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246081910 825633426 /nfs/dbraw/zinc/63/34/26/825633426.db2.gz JXYWMEHGUSLNMK-QWHCGFSZSA-N 1 3 273.352 -0.351 20 0 CBADHO CC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246082856 825633609 /nfs/dbraw/zinc/63/36/09/825633609.db2.gz MVUIIUHUZJPBSG-SDDRHHMPSA-N 1 3 259.325 -0.741 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CCN1 ZINC001246093536 825634473 /nfs/dbraw/zinc/63/44/73/825634473.db2.gz JESFQUAJXZYYSE-MNOVXSKESA-N 1 3 255.362 -0.001 20 0 CBADHO O=C1CC[C@H]2C[C@@H]([NH2+]C[C@]3(O)CCNC[C@@H]3F)CCN12 ZINC001246088046 825634778 /nfs/dbraw/zinc/63/47/78/825634778.db2.gz IDYMIDCXZOWMAM-ZJQBRPOHSA-N 1 3 285.363 -0.208 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(S(C)(=O)=O)CC1 ZINC001246100868 825636161 /nfs/dbraw/zinc/63/61/61/825636161.db2.gz HUJGEGOLYGWRKQ-ZYHUDNBSSA-N 1 3 275.418 -0.002 20 0 CBADHO CCOC(=O)c1c(CN)ncn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246097668 825636318 /nfs/dbraw/zinc/63/63/18/825636318.db2.gz ZVIMTRGERCCQEH-SNVBAGLBSA-N 1 3 293.371 -0.215 20 0 CBADHO CCOC(=O)C1=C(N[C@@H]2CCNC3(C[NH2+]C3)C2)CCNC1 ZINC001246284349 825659771 /nfs/dbraw/zinc/65/97/71/825659771.db2.gz MICZEQHINTYPTO-LLVKDONJSA-N 1 3 294.399 -0.520 20 0 CBADHO OC[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306969 825663275 /nfs/dbraw/zinc/66/32/75/825663275.db2.gz CIZDTXPXSJXPJM-YPMHNXCESA-N 1 3 262.357 -0.201 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246405418 825671472 /nfs/dbraw/zinc/67/14/72/825671472.db2.gz OTYFAYPNTFSICX-SRVKXCTJSA-N 1 3 295.391 -0.271 20 0 CBADHO N[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1F ZINC001246527170 825680885 /nfs/dbraw/zinc/68/08/85/825680885.db2.gz SPRDEXQAWNSXIQ-VLEAKVRGSA-N 1 3 288.392 -0.769 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246544743 825682634 /nfs/dbraw/zinc/68/26/34/825682634.db2.gz SLVZVVUNDJHASJ-KCQAQPDRSA-N 1 3 299.415 -0.154 20 0 CBADHO COC(=O)[C@H]1CCC[C@@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578112 825689037 /nfs/dbraw/zinc/68/90/37/825689037.db2.gz FXGPQPKVVPCEOM-NNYUYHANSA-N 1 3 256.346 -0.030 20 0 CBADHO N[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585942 825690232 /nfs/dbraw/zinc/69/02/32/825690232.db2.gz YTBNAHXCCUHKIH-ZJUUUORDSA-N 1 3 260.332 -0.251 20 0 CBADHO CCN(CC)C(=O)C[C@@H](C)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581216 825691165 /nfs/dbraw/zinc/69/11/65/825691165.db2.gz RMOLEUWBMQXPBJ-GRYCIOLGSA-N 1 3 257.378 -0.115 20 0 CBADHO N[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585938 825691172 /nfs/dbraw/zinc/69/11/72/825691172.db2.gz YTBNAHXCCUHKIH-VHSXEESVSA-N 1 3 260.332 -0.251 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583160 825691356 /nfs/dbraw/zinc/69/13/56/825691356.db2.gz ILHKFOFJUJUYTE-BJDJZHNGSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583160 825691362 /nfs/dbraw/zinc/69/13/62/825691362.db2.gz ILHKFOFJUJUYTE-BJDJZHNGSA-N 1 3 253.346 -0.609 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246599687 825693896 /nfs/dbraw/zinc/69/38/96/825693896.db2.gz DGTUOWMAKOPTCP-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246600682 825694578 /nfs/dbraw/zinc/69/45/78/825694578.db2.gz RJMDHZRTZONOAK-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246849105 825719961 /nfs/dbraw/zinc/71/99/61/825719961.db2.gz YAXVGWUJLZPNTB-NDBYEHHHSA-N 1 3 267.373 -0.179 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246849111 825720506 /nfs/dbraw/zinc/72/05/06/825720506.db2.gz YAXVGWUJLZPNTB-VOAKCMCISA-N 1 3 267.373 -0.179 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@]3(N)C2)CN1 ZINC001246855950 825721993 /nfs/dbraw/zinc/72/19/93/825721993.db2.gz WEUDLJDDRIGEGW-ZPFDUUQYSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@]3(N)C2)CN1 ZINC001246855950 825721998 /nfs/dbraw/zinc/72/19/98/825721998.db2.gz WEUDLJDDRIGEGW-ZPFDUUQYSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H](N)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246861759 825724533 /nfs/dbraw/zinc/72/45/33/825724533.db2.gz DGLHXTXOTJIPAJ-LBPRGKRZSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCC[NH+]1CCC(N2CCNC[C@H]2C(=O)OC)CC1 ZINC001246867029 825726437 /nfs/dbraw/zinc/72/64/37/825726437.db2.gz MUVOMDPNSWJISW-AWEZNQCLSA-N 1 3 299.415 -0.066 20 0 CBADHO CC(=O)N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246887179 825727423 /nfs/dbraw/zinc/72/74/23/825727423.db2.gz JQYXWCFVVGUOAE-DGCLKSJQSA-N 1 3 266.389 -0.367 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001246873361 825727956 /nfs/dbraw/zinc/72/79/56/825727956.db2.gz UXJYLTIZGFPPJD-NQBHXWOUSA-N 1 3 253.346 -0.343 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001246873361 825727961 /nfs/dbraw/zinc/72/79/61/825727961.db2.gz UXJYLTIZGFPPJD-NQBHXWOUSA-N 1 3 253.346 -0.343 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246963354 825738364 /nfs/dbraw/zinc/73/83/64/825738364.db2.gz AEUVPHVFTZPCSA-YUTCNCBUSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC([N@@H+]3CC[C@H](N)C3)CC2)CN1 ZINC001246963354 825738368 /nfs/dbraw/zinc/73/83/68/825738368.db2.gz AEUVPHVFTZPCSA-YUTCNCBUSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC([N@H+]3CC[C@H](N)C3)CC2)CN1 ZINC001246963354 825738371 /nfs/dbraw/zinc/73/83/71/825738371.db2.gz AEUVPHVFTZPCSA-YUTCNCBUSA-N 1 3 296.415 -0.613 20 0 CBADHO C[C@@H]1CN(C2CN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@@H](C)O1 ZINC001246986001 825739397 /nfs/dbraw/zinc/73/93/97/825739397.db2.gz DNTHAUJZNMWDSN-MCIONIFRSA-N 1 3 294.443 -0.126 20 0 CBADHO CN1CC2(C1)CC[NH+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251020322 825764138 /nfs/dbraw/zinc/76/41/38/825764138.db2.gz CVZUSDJPZSOLJW-AWEZNQCLSA-N 1 3 283.416 -0.293 20 0 CBADHO CC[NH+](CC)C[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC001253180716 825902301 /nfs/dbraw/zinc/90/23/01/825902301.db2.gz HYEYDEFOTBZADF-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC001253180717 825902428 /nfs/dbraw/zinc/90/24/28/825902428.db2.gz HYEYDEFOTBZADF-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[NH+](CC)C[C@H](O)CN(C)CCN1CCN(C)CC1 ZINC001253187247 825902706 /nfs/dbraw/zinc/90/27/06/825902706.db2.gz CGLUGVLDBYFRPL-OAHLLOKOSA-N 1 3 286.464 -0.132 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CNCCc1n[nH]c(C)n1 ZINC001253209130 825905430 /nfs/dbraw/zinc/90/54/30/825905430.db2.gz XZCSCFPKOKWHPL-NSHDSACASA-N 1 3 255.366 -0.052 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CNCCc1nc(C)n[nH]1 ZINC001253209130 825905434 /nfs/dbraw/zinc/90/54/34/825905434.db2.gz XZCSCFPKOKWHPL-NSHDSACASA-N 1 3 255.366 -0.052 20 0 CBADHO CN(CCN1CCN(C)CC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394041 825912401 /nfs/dbraw/zinc/91/24/01/825912401.db2.gz DCVVILALLMIMTE-CQSZACIVSA-N 1 3 286.464 -0.085 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])[C@H]1CC2CCN(CC2)C1 ZINC001254833292 825970319 /nfs/dbraw/zinc/97/03/19/825970319.db2.gz XITRSAVXXSFDTF-NSHDSACASA-N 1 3 261.391 -0.309 20 0 CBADHO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](CN)C(=O)OC)C1 ZINC001256017266 825997386 /nfs/dbraw/zinc/99/73/86/825997386.db2.gz OUMVUIIXJJUPHV-VHSXEESVSA-N 1 3 273.333 -0.445 20 0 CBADHO [NH3+]C[C@H](O)CNC1CCN(c2ncccn2)CC1 ZINC001256045626 826000917 /nfs/dbraw/zinc/00/09/17/826000917.db2.gz RIYJOKBMDQHHNM-NSHDSACASA-N 1 3 251.334 -0.645 20 0 CBADHO NC[C@@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256578191 826026135 /nfs/dbraw/zinc/02/61/35/826026135.db2.gz BQEAGKIYZXTKJB-CQSZACIVSA-N 1 3 264.373 -0.045 20 0 CBADHO CN1CCC([NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001261435829 826513032 /nfs/dbraw/zinc/51/30/32/826513032.db2.gz HIQMVPYPGVBXSG-AWEZNQCLSA-N 1 3 270.421 -0.722 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001261527345 826533828 /nfs/dbraw/zinc/53/38/28/826533828.db2.gz OKEUSZKJSAQNGK-ZDUSSCGKSA-N 1 3 285.436 -0.981 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCC1([NH3+])CCOCC1 ZINC001262009203 826619651 /nfs/dbraw/zinc/61/96/51/826619651.db2.gz NYSQWTQHTPWXKQ-UHFFFAOYSA-N 1 3 252.318 -0.115 20 0 CBADHO C[C@H](N)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001262037011 826627674 /nfs/dbraw/zinc/62/76/74/826627674.db2.gz IXEKDPAHOFOIES-QMMMGPOBSA-N 1 3 250.306 -0.828 20 0 CBADHO COCC[C@@H](N)C(=O)N(CC[NH3+])CC(F)(F)F ZINC001262038920 826627767 /nfs/dbraw/zinc/62/77/67/826627767.db2.gz CRSMSXCJLUIMPT-SSDOTTSWSA-N 1 3 257.256 -0.300 20 0 CBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC001262065223 826630157 /nfs/dbraw/zinc/63/01/57/826630157.db2.gz UUKTYRSHKSCNDV-XHDPSFHLSA-N 1 3 294.399 -0.735 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262072913 826632809 /nfs/dbraw/zinc/63/28/09/826632809.db2.gz CBOPQFGMHKADBD-XQQFMLRXSA-N 1 3 296.415 -0.219 20 0 CBADHO Cc1cccn2c1nc(CNC(CN)C[NH3+])cc2=O ZINC001262194925 826657023 /nfs/dbraw/zinc/65/70/23/826657023.db2.gz IZGHTJAQIZIXLO-UHFFFAOYSA-N 1 3 261.329 -0.621 20 0 CBADHO CC(=O)N1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195141 826657609 /nfs/dbraw/zinc/65/76/09/826657609.db2.gz PMSGMVGRYRZDNF-CYBMUJFWSA-N 1 3 267.373 -0.081 20 0 CBADHO CC(=O)NC[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001262195216 826657774 /nfs/dbraw/zinc/65/77/74/826657774.db2.gz TWOVJCNOKDYLSA-CYDGBPFRSA-N 1 3 255.362 -0.315 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)CO)CC2)CC1 ZINC001262365686 826683498 /nfs/dbraw/zinc/68/34/98/826683498.db2.gz JGGGVIWQZOHOEU-UHFFFAOYSA-N 1 3 255.362 -0.347 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001262561696 826708450 /nfs/dbraw/zinc/70/84/50/826708450.db2.gz DZSOSFFVNQFQQR-CYBMUJFWSA-N 1 3 273.421 -0.265 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001263114349 826741079 /nfs/dbraw/zinc/74/10/79/826741079.db2.gz LMIZAUGAUAEFDD-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156027 826744855 /nfs/dbraw/zinc/74/48/55/826744855.db2.gz LCBFTPXZYACCNI-ZRUFSTJUSA-N 1 3 251.330 -0.911 20 0 CBADHO CC[C@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC[NH2+]1 ZINC001263155776 826744888 /nfs/dbraw/zinc/74/48/88/826744888.db2.gz FPAZNKYUMWIORF-GXFFZTMASA-N 1 3 253.346 -0.234 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001263203044 826752786 /nfs/dbraw/zinc/75/27/86/826752786.db2.gz RQVRKWORDQOWAW-IVZWLZJFSA-N 1 3 257.334 -0.524 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001263212661 826753658 /nfs/dbraw/zinc/75/36/58/826753658.db2.gz ZKOKBVTUIXFTMC-XVKPBYJWSA-N 1 3 251.277 -0.719 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263849380 826784688 /nfs/dbraw/zinc/78/46/88/826784688.db2.gz HLPMWNVINWKQLJ-TXEJJXNPSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCO ZINC001264716781 826819901 /nfs/dbraw/zinc/81/99/01/826819901.db2.gz XCCVGELTDVFFMX-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@@H](C)C(N)=O ZINC001265145871 826851669 /nfs/dbraw/zinc/85/16/69/826851669.db2.gz CZHWOJXFPXVLGX-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@@H](C)C(N)=O ZINC001265145871 826851678 /nfs/dbraw/zinc/85/16/78/826851678.db2.gz CZHWOJXFPXVLGX-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265932549 826938968 /nfs/dbraw/zinc/93/89/68/826938968.db2.gz QTOMYNLJMKONCW-JTQLQIEISA-N 1 3 252.318 -0.211 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001266018295 826947772 /nfs/dbraw/zinc/94/77/72/826947772.db2.gz NVQKRFCOCZBQBL-WDEREUQCSA-N 1 3 266.345 -0.229 20 0 CBADHO C[NH+](C)CCC(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001266231251 826961962 /nfs/dbraw/zinc/96/19/62/826961962.db2.gz DLNXVHVUWNQGNA-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001266659854 827041584 /nfs/dbraw/zinc/04/15/84/827041584.db2.gz IRAHZQLAUIRPOB-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266731195 827057524 /nfs/dbraw/zinc/05/75/24/827057524.db2.gz UZIXMVFASNLJJC-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266731195 827057534 /nfs/dbraw/zinc/05/75/34/827057534.db2.gz UZIXMVFASNLJJC-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001267391322 827164915 /nfs/dbraw/zinc/16/49/15/827164915.db2.gz GMZHNLVFFREBDH-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456102 827173683 /nfs/dbraw/zinc/17/36/83/827173683.db2.gz LNWGSVACFWXJGM-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456102 827173686 /nfs/dbraw/zinc/17/36/86/827173686.db2.gz LNWGSVACFWXJGM-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO C[C@H](C[NH2+]CCCO)N(C)C(=O)Cc1c[nH]cn1 ZINC001268084845 827254988 /nfs/dbraw/zinc/25/49/88/827254988.db2.gz KHTBHMRVBUHYEZ-SNVBAGLBSA-N 1 3 254.334 -0.229 20 0 CBADHO C[C@H](O)CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215586 827261877 /nfs/dbraw/zinc/26/18/77/827261877.db2.gz QDYCCKNUDPXTJT-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001268579980 827369320 /nfs/dbraw/zinc/36/93/20/827369320.db2.gz UTFGTWXRSJWXBH-AAAGKOELSA-N 1 3 296.415 -0.003 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580866 827371942 /nfs/dbraw/zinc/37/19/42/827371942.db2.gz DDTJAZWGSKZROH-FOQNGQEVSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268847233 827430492 /nfs/dbraw/zinc/43/04/92/827430492.db2.gz FZWGCLAGFOEJNE-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCO ZINC001269472128 827513032 /nfs/dbraw/zinc/51/30/32/827513032.db2.gz VSULKBZFCOMGKC-NWDGAFQWSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H](C[NH2+]CCO)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001271100267 827622703 /nfs/dbraw/zinc/62/27/03/827622703.db2.gz GUJFDMFEXPQEBR-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001272457478 827803162 /nfs/dbraw/zinc/80/31/62/827803162.db2.gz QOMBMKAHWYRBFI-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1CCCN1C ZINC001273298490 827888413 /nfs/dbraw/zinc/88/84/13/827888413.db2.gz QRYXFECXYXGWMP-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO O=C(CN1CCC1)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001273366332 827895094 /nfs/dbraw/zinc/89/50/94/827895094.db2.gz BYFGSUMFZRFADF-UHFFFAOYSA-N 1 3 289.383 -0.267 20 0 CBADHO CCOCCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273958192 827946726 /nfs/dbraw/zinc/94/67/26/827946726.db2.gz AOIRMLSWMRIEMG-HNNXBMFYSA-N 1 3 299.415 -0.112 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274502556 827995296 /nfs/dbraw/zinc/99/52/96/827995296.db2.gz UAZUVBYAOQKBLU-CYBMUJFWSA-N 1 3 299.415 -0.594 20 0 CBADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H](C)O)N(C)C ZINC001274512528 827996293 /nfs/dbraw/zinc/99/62/93/827996293.db2.gz ZUTCERPDOVZASN-QHDQMSKJSA-N 1 3 257.378 -0.031 20 0 CBADHO CN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001275047458 828053303 /nfs/dbraw/zinc/05/33/03/828053303.db2.gz UJUBYRHBHOGSFA-CQSZACIVSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC(N)=O)CCC1 ZINC001276048010 828132374 /nfs/dbraw/zinc/13/23/74/828132374.db2.gz KXQKZJDLZWENNH-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CN(C)C(=O)CCN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277637406 828200279 /nfs/dbraw/zinc/20/02/79/828200279.db2.gz WTHLWXGGNGIBIJ-KGLIPLIRSA-N 1 3 298.431 -0.589 20 0 CBADHO C[NH+]1CCC(CCN2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001277839872 828213139 /nfs/dbraw/zinc/21/31/39/828213139.db2.gz ZPFXWLXIHJHFMZ-NWDGAFQWSA-N 1 3 280.372 -0.110 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(N)=O ZINC001277986680 828228198 /nfs/dbraw/zinc/22/81/98/828228198.db2.gz BJVCNKCIMFZTBH-JTQLQIEISA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417777 828269938 /nfs/dbraw/zinc/26/99/38/828269938.db2.gz XNGSGVWWOBGALG-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)CN1CCCC1 ZINC001278423191 828270256 /nfs/dbraw/zinc/27/02/56/828270256.db2.gz IHFPULJVUJPKHF-KBPBESRZSA-N 1 3 299.415 -0.330 20 0 CBADHO CC[NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1 ZINC001326092119 884904807 /nfs/dbraw/zinc/90/48/07/884904807.db2.gz VEVHJIYHAPEYGL-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO NC(=O)NC(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326276417 884967118 /nfs/dbraw/zinc/96/71/18/884967118.db2.gz AIQQEUODEQNCTB-UHFFFAOYSA-N 1 3 254.334 -0.353 20 0 CBADHO C[NH2+]CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001326600017 885082432 /nfs/dbraw/zinc/08/24/32/885082432.db2.gz ZFKICGUUFPHHFG-SNVBAGLBSA-N 1 3 252.322 -0.880 20 0 CBADHO C[C@H](N)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001328180849 885592943 /nfs/dbraw/zinc/59/29/43/885592943.db2.gz BXYLOXJQYTVULG-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO Cn1ncc(CNCCCC[NH+]2CCN(C)CC2)n1 ZINC001330333925 886420251 /nfs/dbraw/zinc/42/02/51/886420251.db2.gz JRBQGSJYTBTCRL-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001330365445 886427946 /nfs/dbraw/zinc/42/79/46/886427946.db2.gz PJYUUMVSTPTZRU-XYYAHUGASA-N 1 3 269.389 -0.387 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001330365445 886427955 /nfs/dbraw/zinc/42/79/55/886427955.db2.gz PJYUUMVSTPTZRU-XYYAHUGASA-N 1 3 269.389 -0.387 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(N)=O ZINC001331406929 886795419 /nfs/dbraw/zinc/79/54/19/886795419.db2.gz PICCISDWSISZES-NXEZZACHSA-N 1 3 256.350 -0.998 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC001331966159 887069776 /nfs/dbraw/zinc/06/97/76/887069776.db2.gz QRWBSGLGKJTMFK-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333177612 887552116 /nfs/dbraw/zinc/55/21/16/887552116.db2.gz FQTFDCWKQXRRLO-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531571 887675510 /nfs/dbraw/zinc/67/55/10/887675510.db2.gz BHYSDAMCZDTTJO-RNFRBKRXSA-N 1 3 268.321 -0.824 20 0 CBADHO C[C@@H](O)[C@H](C)[NH2+]CC(=O)NCCN1CCCCC1 ZINC001336829818 888894040 /nfs/dbraw/zinc/89/40/40/888894040.db2.gz FHBBIKSZRKKYCM-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336907517 888915806 /nfs/dbraw/zinc/91/58/06/888915806.db2.gz HDJBYABIOBOXHV-LNFKQOIKSA-N 1 3 254.334 -0.833 20 0 CBADHO CC[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001336905765 888916412 /nfs/dbraw/zinc/91/64/12/888916412.db2.gz IXVZWJIBGFEFFH-QWHCGFSZSA-N 1 3 284.404 -0.164 20 0 CBADHO CN1CCN(C(=O)C(=O)NCCCC[NH3+])CCC1(C)C ZINC001337456143 889014751 /nfs/dbraw/zinc/01/47/51/889014751.db2.gz SYAQKXFSFKBRRM-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@H]1Cc2cncn2C1)C1CC1 ZINC001338549392 889173132 /nfs/dbraw/zinc/17/31/32/889173132.db2.gz IHJZACMQQDNSQU-GWCFXTLKSA-N 1 3 250.346 -0.148 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@H]1Cc2cncn2C1)C1CC1 ZINC001338549392 889173136 /nfs/dbraw/zinc/17/31/36/889173136.db2.gz IHJZACMQQDNSQU-GWCFXTLKSA-N 1 3 250.346 -0.148 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CNCCN1C ZINC001340538733 889446733 /nfs/dbraw/zinc/44/67/33/889446733.db2.gz JUAOWSJKABCAHH-ZDUSSCGKSA-N 1 3 270.421 -0.016 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CNCCN1C ZINC001340538733 889446739 /nfs/dbraw/zinc/44/67/39/889446739.db2.gz JUAOWSJKABCAHH-ZDUSSCGKSA-N 1 3 270.421 -0.016 20 0 CBADHO [NH3+][C@@H]1C[C@H](C(=O)N[C@H]2COC3(CNC3)C2)[C@H]2C[C@H]21 ZINC001340617400 889456337 /nfs/dbraw/zinc/45/63/37/889456337.db2.gz XNSKCAJPVNFOEY-NZHYYXIDSA-N 1 3 251.330 -0.783 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001340676236 889463980 /nfs/dbraw/zinc/46/39/80/889463980.db2.gz JBSLCOQDETVYSF-OPQQBVKSSA-N 1 3 269.345 -0.393 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001340676233 889465810 /nfs/dbraw/zinc/46/58/10/889465810.db2.gz JBSLCOQDETVYSF-BREBYQMCSA-N 1 3 269.345 -0.393 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC001340860999 889501852 /nfs/dbraw/zinc/50/18/52/889501852.db2.gz APYPZLDLZZFHHM-SNVBAGLBSA-N 1 3 255.362 -0.313 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001341370091 889583296 /nfs/dbraw/zinc/58/32/96/889583296.db2.gz VSDYGPHHRXQWOI-JBLDHEPKSA-N 1 3 251.330 -0.767 20 0 CBADHO O=C(CC[NH2+]CC1CC1)N[C@@H]1COC2(CNC2)C1 ZINC001341368798 889584674 /nfs/dbraw/zinc/58/46/74/889584674.db2.gz PVKRVCNFCFVSBK-NSHDSACASA-N 1 3 253.346 -0.377 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001341553928 889622235 /nfs/dbraw/zinc/62/22/35/889622235.db2.gz RILLCKIIXPYQTM-MXWKQRLJSA-N 1 3 252.362 -0.724 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672223 889645173 /nfs/dbraw/zinc/64/51/73/889645173.db2.gz BQFDFTJPWKLWAE-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001443941020 912307071 /nfs/dbraw/zinc/30/70/71/912307071.db2.gz YQANOEJKGLMXEJ-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001443941018 912310296 /nfs/dbraw/zinc/31/02/96/912310296.db2.gz YQANOEJKGLMXEJ-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001342415158 889770447 /nfs/dbraw/zinc/77/04/47/889770447.db2.gz HWAAGBNWDWNLIH-KXUCPTDWSA-N 1 3 257.334 -0.761 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC ZINC001444026669 912331844 /nfs/dbraw/zinc/33/18/44/912331844.db2.gz DAHXHOVZLMRVLJ-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO COCC[C@@H](N)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342583134 889794401 /nfs/dbraw/zinc/79/44/01/889794401.db2.gz JIRIOLLMROHTRE-NQBHXWOUSA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444089144 912359323 /nfs/dbraw/zinc/35/93/23/912359323.db2.gz PCRCGKOITRGZJK-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001343467994 889916315 /nfs/dbraw/zinc/91/63/15/889916315.db2.gz QJQIIKFKPHEABU-QNWHQSFQSA-N 1 3 266.389 -0.524 20 0 CBADHO C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001343565817 889932738 /nfs/dbraw/zinc/93/27/38/889932738.db2.gz ANSCXMVECIATPO-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC001343623430 889941244 /nfs/dbraw/zinc/94/12/44/889941244.db2.gz HRKIQHQCPQNGKW-GARJFASQSA-N 1 3 268.361 -0.998 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001444321549 912424516 /nfs/dbraw/zinc/42/45/16/912424516.db2.gz FBGYWFGXCDEJLM-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444629369 912482198 /nfs/dbraw/zinc/48/21/98/912482198.db2.gz JAELENDJZCPOEZ-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001345196778 890110724 /nfs/dbraw/zinc/11/07/24/890110724.db2.gz GEGNRLVJUARGJD-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001444873932 912514702 /nfs/dbraw/zinc/51/47/02/912514702.db2.gz OVLYJGZKQZKOIN-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCNCC2)C1 ZINC001346018692 890197477 /nfs/dbraw/zinc/19/74/77/890197477.db2.gz ZJFWFQSKBZQMEY-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)N3CCNCC3)C[C@H]21 ZINC001346018228 890197588 /nfs/dbraw/zinc/19/75/88/890197588.db2.gz SRBIAISMOCNPRT-JHJVBQTASA-N 1 3 266.389 -0.523 20 0 CBADHO [NH3+]CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001346208750 890237267 /nfs/dbraw/zinc/23/72/67/890237267.db2.gz BECIXIIUCXPCER-RYUDHWBXSA-N 1 3 255.362 -0.217 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001445200545 912599941 /nfs/dbraw/zinc/59/99/41/912599941.db2.gz UBPQEMCDNXFBNS-VXGBXAGGSA-N 1 3 287.404 -0.428 20 0 CBADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001445221089 912603298 /nfs/dbraw/zinc/60/32/98/912603298.db2.gz ATJSVDLITYINLD-CQSZACIVSA-N 1 3 294.399 -0.092 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001445271483 912622429 /nfs/dbraw/zinc/62/24/29/912622429.db2.gz RIINZVWCCRGKDW-AWEZNQCLSA-N 1 3 294.399 -0.012 20 0 CBADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001445324145 912635405 /nfs/dbraw/zinc/63/54/05/912635405.db2.gz BCLDSQMJVPJDRR-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(CCC[NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347062178 890395597 /nfs/dbraw/zinc/39/55/97/890395597.db2.gz XRUSWZJGPKOOCN-UHFFFAOYSA-N 1 3 268.321 -0.869 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001445432193 912665814 /nfs/dbraw/zinc/66/58/14/912665814.db2.gz AJLOLQGEWASAKS-GHMZBOCLSA-N 1 3 286.420 -0.068 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001445609722 912712005 /nfs/dbraw/zinc/71/20/05/912712005.db2.gz GMDNALLABFYEHK-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001445606938 912712290 /nfs/dbraw/zinc/71/22/90/912712290.db2.gz SWLBVEZOJQPDAM-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001445609576 912713025 /nfs/dbraw/zinc/71/30/25/912713025.db2.gz ZTGNQERHLHOSPP-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445869145 912776529 /nfs/dbraw/zinc/77/65/29/912776529.db2.gz MNUHWHFRNRWHMM-CHWSQXEVSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445869145 912776547 /nfs/dbraw/zinc/77/65/47/912776547.db2.gz MNUHWHFRNRWHMM-CHWSQXEVSA-N 1 3 294.403 -0.334 20 0 CBADHO CN1CCC[C@@H](NC2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001446225017 912840218 /nfs/dbraw/zinc/84/02/18/912840218.db2.gz CEQLXQUQCGGUFJ-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001188145963 884720237 /nfs/dbraw/zinc/72/02/37/884720237.db2.gz TXZVFMBLBBCWRW-NEPJUHHUSA-N 1 3 282.388 -0.594 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158684 884722232 /nfs/dbraw/zinc/72/22/32/884722232.db2.gz UKYCCNRXPLPVGZ-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO Cn1[n-]c(CN2CCC3(CC[NH2+]C3)CC2)nc1=O ZINC001326311445 884986700 /nfs/dbraw/zinc/98/67/00/884986700.db2.gz XQCRKBJJPQIVLJ-UHFFFAOYSA-N 1 3 251.334 -0.316 20 0 CBADHO Cn1[nH]c(CN2CCC3(CC[NH2+]C3)CC2)nc1=O ZINC001326311445 884986715 /nfs/dbraw/zinc/98/67/15/884986715.db2.gz XQCRKBJJPQIVLJ-UHFFFAOYSA-N 1 3 251.334 -0.316 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001446453733 912888373 /nfs/dbraw/zinc/88/83/73/912888373.db2.gz SNJJKGVJNIKQDN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001446453733 912888386 /nfs/dbraw/zinc/88/83/86/912888386.db2.gz SNJJKGVJNIKQDN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001446455677 912888945 /nfs/dbraw/zinc/88/89/45/912888945.db2.gz MMKBOWOFMIGPPW-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([NH3+])CC1 ZINC001326567145 885066766 /nfs/dbraw/zinc/06/67/66/885066766.db2.gz QJQALZYVWJEHOX-NSHDSACASA-N 1 3 256.350 -0.964 20 0 CBADHO CN1CC[NH+](CCCCNC(=O)[C@@H]2CNCCO2)CC1 ZINC001326664658 885107123 /nfs/dbraw/zinc/10/71/23/885107123.db2.gz TVMQLYNMIVEFMS-ZDUSSCGKSA-N 1 3 284.404 -0.881 20 0 CBADHO CN1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001326732091 885124358 /nfs/dbraw/zinc/12/43/58/885124358.db2.gz FFEAQUKALQYKJU-UHFFFAOYSA-N 1 3 266.349 -0.549 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]CCO)CCC1 ZINC001326913523 885191090 /nfs/dbraw/zinc/19/10/90/885191090.db2.gz OZUCPIMFPYHWIL-UHFFFAOYSA-N 1 3 257.378 -0.051 20 0 CBADHO C[NH2+]CCCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001326937825 885197360 /nfs/dbraw/zinc/19/73/60/885197360.db2.gz MVEUDJQLTHZGAW-LBPRGKRZSA-N 1 3 280.376 -0.100 20 0 CBADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H]3CNCCO3)CC2)C1 ZINC001327562198 885408328 /nfs/dbraw/zinc/40/83/28/885408328.db2.gz JXFBYLVKPPUMJK-GJZGRUSLSA-N 1 3 282.432 -0.313 20 0 CBADHO C[N@H+]1CCC[C@H](N2CCN(C[C@@H]3CNCCO3)CC2)C1 ZINC001327562198 885408334 /nfs/dbraw/zinc/40/83/34/885408334.db2.gz JXFBYLVKPPUMJK-GJZGRUSLSA-N 1 3 282.432 -0.313 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC001327596617 885423836 /nfs/dbraw/zinc/42/38/36/885423836.db2.gz JRHTUSNHGYCWGP-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC001328133304 885578819 /nfs/dbraw/zinc/57/88/19/885578819.db2.gz NUXKJEUERDDVNT-UHFFFAOYSA-N 1 3 270.377 -0.974 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001328455022 885693686 /nfs/dbraw/zinc/69/36/86/885693686.db2.gz MVRAKQNSECWDJR-KGLIPLIRSA-N 1 3 298.431 -0.506 20 0 CBADHO O=C1N[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]2CO1 ZINC001328492131 885705789 /nfs/dbraw/zinc/70/57/89/885705789.db2.gz KYHMTMKMPKAQTG-NWDGAFQWSA-N 1 3 268.361 -0.678 20 0 CBADHO [NH3+]CCSCc1cn(C[C@@H]2CNCCO2)nn1 ZINC001329314952 886010185 /nfs/dbraw/zinc/01/01/85/886010185.db2.gz AYJUBEZWCAEJMN-JTQLQIEISA-N 1 3 257.363 -0.542 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001447023305 913002043 /nfs/dbraw/zinc/00/20/43/913002043.db2.gz WNZSHZJCXBGQLL-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039204 913007601 /nfs/dbraw/zinc/00/76/01/913007601.db2.gz KFBIHJMAIIVDQI-DZGCQCFKSA-N 1 3 299.415 -0.736 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039204 913007616 /nfs/dbraw/zinc/00/76/16/913007616.db2.gz KFBIHJMAIIVDQI-DZGCQCFKSA-N 1 3 299.415 -0.736 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001329651272 886161242 /nfs/dbraw/zinc/16/12/42/886161242.db2.gz IEZNFAYLSPDJAF-GFCCVEGCSA-N 1 3 268.405 -0.180 20 0 CBADHO CN(C/C=C/CN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862247 886243206 /nfs/dbraw/zinc/24/32/06/886243206.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C/C[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862247 886243225 /nfs/dbraw/zinc/24/32/25/886243225.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C/C[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001329862247 886243247 /nfs/dbraw/zinc/24/32/47/886243247.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C/C[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862247 886243271 /nfs/dbraw/zinc/24/32/71/886243271.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 1 3 280.372 -0.817 20 0 CBADHO CN(C/C=C/C[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001329862247 886243291 /nfs/dbraw/zinc/24/32/91/886243291.db2.gz HUQGDDLZKDEXNE-ROUHBEFFSA-N 1 3 280.372 -0.817 20 0 CBADHO Cn1cc([C@@H]2CN(C[C@@H]3CNCCO3)C[C@H]2[NH3+])cn1 ZINC001329924688 886278940 /nfs/dbraw/zinc/27/89/40/886278940.db2.gz AUVKDMCSBVELDN-RWMBFGLXSA-N 1 3 265.361 -0.865 20 0 CBADHO CC[NH2+]CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330641664 886514804 /nfs/dbraw/zinc/51/48/04/886514804.db2.gz YALCFAXUWRWJAI-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001331713150 886929919 /nfs/dbraw/zinc/92/99/19/886929919.db2.gz VCMRYYZRINQPFL-UWVGGRQHSA-N 1 3 257.309 -0.865 20 0 CBADHO C[C@@H](NC(=O)c1c(CN)cnn1C)C1CC[NH2+]CC1 ZINC001331727479 886939060 /nfs/dbraw/zinc/93/90/60/886939060.db2.gz HCOPOGPEHFARMD-SECBINFHSA-N 1 3 265.361 -0.003 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178629 887143498 /nfs/dbraw/zinc/14/34/98/887143498.db2.gz FIXPOKPDVDNOOD-MFKMUULPSA-N 1 3 255.362 -0.146 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC001332267647 887178499 /nfs/dbraw/zinc/17/84/99/887178499.db2.gz PVKNKAZWTBAIRD-OLZOCXBDSA-N 1 3 294.399 -0.450 20 0 CBADHO C(CN1CCNCC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001332333481 887209621 /nfs/dbraw/zinc/20/96/21/887209621.db2.gz BVCFLJJQMPZPQI-OKILXGFUSA-N 1 3 268.405 -0.656 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001333178809 887554784 /nfs/dbraw/zinc/55/47/84/887554784.db2.gz OXKYMHRTIVBQBH-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC001333179530 887555997 /nfs/dbraw/zinc/55/59/97/887555997.db2.gz UGDNCIDVUZGNET-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333290793 887585879 /nfs/dbraw/zinc/58/58/79/887585879.db2.gz GLYCKNWYXOASHI-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)N1CCC1 ZINC001447908199 913164104 /nfs/dbraw/zinc/16/41/04/913164104.db2.gz SRRWIHBQYWZCNK-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531583 887677215 /nfs/dbraw/zinc/67/72/15/887677215.db2.gz BPWTXGIEGIYWAJ-SSDOTTSWSA-N 1 3 268.321 -0.952 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]C)CC2)C1 ZINC001333564984 887695538 /nfs/dbraw/zinc/69/55/38/887695538.db2.gz CYUOIEDBPCHNDR-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[NH2+]CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333635011 887728591 /nfs/dbraw/zinc/72/85/91/887728591.db2.gz FBDTZXKASKWLJL-UHFFFAOYSA-N 1 3 267.333 -0.355 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001334231005 887898045 /nfs/dbraw/zinc/89/80/45/887898045.db2.gz POCMEGZNWZNXIM-JFGNBEQYSA-N 1 3 256.350 -0.911 20 0 CBADHO NCC(C[NH3+])NCc1nccn1CC(F)(F)F ZINC001334336234 887925672 /nfs/dbraw/zinc/92/56/72/887925672.db2.gz AOZHRMRLJGBKIG-UHFFFAOYSA-N 1 3 251.256 -0.179 20 0 CBADHO C[C@H](CN1CCOCC1)N1CCNCC[NH2+]CC1 ZINC001334339305 887928283 /nfs/dbraw/zinc/92/82/83/887928283.db2.gz XEJZKARADCRXNP-CYBMUJFWSA-N 1 3 256.394 -0.798 20 0 CBADHO O=C1C[C@H](CCNC[C@H](O)C[NH+]2CCCC2)CN1 ZINC001335318423 888497547 /nfs/dbraw/zinc/49/75/47/888497547.db2.gz HAQJDPMEDISJDW-RYUDHWBXSA-N 1 3 255.362 -0.441 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC001335604713 888580081 /nfs/dbraw/zinc/58/00/81/888580081.db2.gz UMXCERPTOIFPNA-OUAUKWLOSA-N 1 3 256.350 -0.871 20 0 CBADHO CN(C)C(C)(C)C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001336728647 888858486 /nfs/dbraw/zinc/85/84/86/888858486.db2.gz YUBPPIVQEXBZLE-ZDUSSCGKSA-N 1 3 272.437 -0.476 20 0 CBADHO C[C@H](NC(=O)c1c(CN)cnn1C)C1CC[NH2+]CC1 ZINC001336741640 888862410 /nfs/dbraw/zinc/86/24/10/888862410.db2.gz HCOPOGPEHFARMD-VIFPVBQESA-N 1 3 265.361 -0.003 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNCCC(=O)NC(N)=O)C1 ZINC001336738786 888863141 /nfs/dbraw/zinc/86/31/41/888863141.db2.gz FIADEWMVSZWNEY-SNVBAGLBSA-N 1 3 256.350 -0.109 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNCCC(=O)NC(N)=O)C1 ZINC001336738786 888863149 /nfs/dbraw/zinc/86/31/49/888863149.db2.gz FIADEWMVSZWNEY-SNVBAGLBSA-N 1 3 256.350 -0.109 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001336950434 888930099 /nfs/dbraw/zinc/93/00/99/888930099.db2.gz HUKHAQQRWJNXJW-LMLFDSFASA-N 1 3 258.341 -0.077 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337529798 889031475 /nfs/dbraw/zinc/03/14/75/889031475.db2.gz JREPUQRTNRKWGO-SRVKXCTJSA-N 1 3 282.388 -0.560 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1CNCCO1)C2 ZINC001338640727 889184453 /nfs/dbraw/zinc/18/44/53/889184453.db2.gz JEGMBAPXUCETCR-USZNOCQGSA-N 1 3 268.361 -0.504 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448602783 913326353 /nfs/dbraw/zinc/32/63/53/913326353.db2.gz MURZYCHZQBIYRK-LBPRGKRZSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](NC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585087 913322564 /nfs/dbraw/zinc/32/25/64/913322564.db2.gz BEZPURPFRGTRGI-ZYHUDNBSSA-N 1 3 284.404 -0.362 20 0 CBADHO CC1(C)CN(c2nccnc2C[NH3+])CCN1CCO ZINC001339675580 889306466 /nfs/dbraw/zinc/30/64/66/889306466.db2.gz LBQTUFWFVYFHIR-UHFFFAOYSA-N 1 3 265.361 -0.172 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448643351 913337061 /nfs/dbraw/zinc/33/70/61/913337061.db2.gz CQOMXVRPUDBVAK-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001448643351 913337081 /nfs/dbraw/zinc/33/70/81/913337081.db2.gz CQOMXVRPUDBVAK-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340127434 889387842 /nfs/dbraw/zinc/38/78/42/889387842.db2.gz CTHUGFQXHYWUCN-DGCLKSJQSA-N 1 3 254.378 -0.604 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001340148048 889396413 /nfs/dbraw/zinc/39/64/13/889396413.db2.gz LDDYMSUXBCAYFS-SKDRFNHKSA-N 1 3 257.334 -0.536 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340232586 889412446 /nfs/dbraw/zinc/41/24/46/889412446.db2.gz GKLHWUDRJPZBHC-CQSZACIVSA-N 1 3 297.447 -0.968 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340248232 889413787 /nfs/dbraw/zinc/41/37/87/889413787.db2.gz HRRSPHNBUUQXNQ-DZGCQCFKSA-N 1 3 298.431 -0.757 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1COC2(CNC2)C1 ZINC001340737832 889475882 /nfs/dbraw/zinc/47/58/82/889475882.db2.gz BZCUUPJVSJHDDY-HBNTYKKESA-N 1 3 253.346 -0.249 20 0 CBADHO CN1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001340825272 889493306 /nfs/dbraw/zinc/49/33/06/889493306.db2.gz WXTMDARGRYQKIG-DGCLKSJQSA-N 1 3 255.362 -0.299 20 0 CBADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001448687826 913351451 /nfs/dbraw/zinc/35/14/51/913351451.db2.gz WBZDPBPKKMCHAP-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(N)=O ZINC001448687826 913351467 /nfs/dbraw/zinc/35/14/67/913351467.db2.gz WBZDPBPKKMCHAP-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854265 889499042 /nfs/dbraw/zinc/49/90/42/889499042.db2.gz PYUNLROBVJKQBL-RNJOBUHISA-N 1 3 267.373 -0.321 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001340941380 889518734 /nfs/dbraw/zinc/51/87/34/889518734.db2.gz SRJZOBWRUGXNMS-MDZLAQPJSA-N 1 3 252.362 -0.709 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001341206706 889556347 /nfs/dbraw/zinc/55/63/47/889556347.db2.gz RVZLXXAXCMGZRA-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC001341245427 889565655 /nfs/dbraw/zinc/56/56/55/889565655.db2.gz XLQJHMVSIYFTAA-SNVBAGLBSA-N 1 3 257.334 -0.536 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1[NH2+]CC12CCCC2 ZINC001341294441 889571739 /nfs/dbraw/zinc/57/17/39/889571739.db2.gz YVCVIQANTTUBTK-WDEREUQCSA-N 1 3 253.346 -0.377 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001341547326 889621092 /nfs/dbraw/zinc/62/10/92/889621092.db2.gz MQAZHKAUTBEWLN-GRYCIOLGSA-N 1 3 252.362 -0.757 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(N)=O ZINC001448745381 913365779 /nfs/dbraw/zinc/36/57/79/913365779.db2.gz GOLNXFSPRHFSMV-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNCCN2C)C1 ZINC001341672299 889645919 /nfs/dbraw/zinc/64/59/19/889645919.db2.gz CUYOETAQIMEBDM-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001341672955 889645869 /nfs/dbraw/zinc/64/58/69/889645869.db2.gz RHJKBJAPNCQWLQ-SCVCMEIPSA-N 1 3 255.362 -0.444 20 0 CBADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CNCCN2C)C1 ZINC001341672299 889645913 /nfs/dbraw/zinc/64/59/13/889645913.db2.gz CUYOETAQIMEBDM-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO COCCNCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341708181 889652651 /nfs/dbraw/zinc/65/26/51/889652651.db2.gz HEKHLAQTGOGDJX-IUCAKERBSA-N 1 3 283.294 -0.040 20 0 CBADHO CC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C[NH2+]C1 ZINC001341924385 889684358 /nfs/dbraw/zinc/68/43/58/889684358.db2.gz RYMJLPJEYBKWQT-RYUDHWBXSA-N 1 3 267.373 -0.347 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001341924222 889684511 /nfs/dbraw/zinc/68/45/11/889684511.db2.gz RQEPUYAMZYUMHA-ZDEQEGDKSA-N 1 3 267.373 -0.361 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001341924220 889684599 /nfs/dbraw/zinc/68/45/99/889684599.db2.gz RQEPUYAMZYUMHA-RVMXOQNASA-N 1 3 267.373 -0.361 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001342066575 889705204 /nfs/dbraw/zinc/70/52/04/889705204.db2.gz ROEDQRKVIMNSSL-HAQNSBGRSA-N 1 3 254.378 -0.380 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001342126599 889715316 /nfs/dbraw/zinc/71/53/16/889715316.db2.gz QLLCLULFYPDEMQ-TUAOUCFPSA-N 1 3 265.357 -0.236 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001342190679 889728952 /nfs/dbraw/zinc/72/89/52/889728952.db2.gz TYCXQLCRPWEDRZ-NQBHXWOUSA-N 1 3 252.362 -0.770 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342251976 889741383 /nfs/dbraw/zinc/74/13/83/889741383.db2.gz ZBDZURKDYJJBHJ-NWDGAFQWSA-N 1 3 257.378 -0.067 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342669742 889813408 /nfs/dbraw/zinc/81/34/08/889813408.db2.gz UXBSGALGCOHDPA-TUAOUCFPSA-N 1 3 253.346 -0.567 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001342696031 889819140 /nfs/dbraw/zinc/81/91/40/889819140.db2.gz LFZABOOUMGOPJR-XQQFMLRXSA-N 1 3 269.389 -0.101 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343041550 889861101 /nfs/dbraw/zinc/86/11/01/889861101.db2.gz WJOGKHDDUGYLIH-LBPRGKRZSA-N 1 3 266.389 -0.462 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343041512 889862667 /nfs/dbraw/zinc/86/26/67/889862667.db2.gz WJOGKHDDUGYLIH-GFCCVEGCSA-N 1 3 266.389 -0.462 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444822 889908661 /nfs/dbraw/zinc/90/86/61/889908661.db2.gz MPIAQUSYSQWZNV-DALYFSDCSA-N 1 3 267.373 -0.315 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444823 889909270 /nfs/dbraw/zinc/90/92/70/889909270.db2.gz MPIAQUSYSQWZNV-IXOPQVEJSA-N 1 3 267.373 -0.315 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001343451220 889912548 /nfs/dbraw/zinc/91/25/48/889912548.db2.gz BFQSCZKRJRQQNE-JHJVBQTASA-N 1 3 268.405 -0.277 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001343460388 889912221 /nfs/dbraw/zinc/91/22/21/889912221.db2.gz ZMRKCJLAOKSGFR-LPEHRKFASA-N 1 3 257.334 -0.537 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001343507258 889925478 /nfs/dbraw/zinc/92/54/78/889925478.db2.gz ILQGYXAVIFFLDX-GHMZBOCLSA-N 1 3 252.362 -0.852 20 0 CBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001344012010 889991748 /nfs/dbraw/zinc/99/17/48/889991748.db2.gz SLSLYKSCFUECQJ-YYAQPZEXSA-N 1 3 265.357 -0.355 20 0 CBADHO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCOC2(CNC2)C1 ZINC001344093770 890004998 /nfs/dbraw/zinc/00/49/98/890004998.db2.gz UYRCHDSHTMSZSL-VWYCJHECSA-N 1 3 251.330 -0.957 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001344846503 890073626 /nfs/dbraw/zinc/07/36/26/890073626.db2.gz NMXJORPOBNJJJZ-AXTSPUMRSA-N 1 3 254.334 -0.313 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001344846502 890074445 /nfs/dbraw/zinc/07/44/45/890074445.db2.gz NMXJORPOBNJJJZ-AATLWQCWSA-N 1 3 254.334 -0.313 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001344921351 890081138 /nfs/dbraw/zinc/08/11/38/890081138.db2.gz YSZPAKSJYAJRSG-GFCCVEGCSA-N 1 3 286.420 -0.724 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001345821692 890170011 /nfs/dbraw/zinc/17/00/11/890170011.db2.gz FILFEXRNWUZNKW-NXEZZACHSA-N 1 3 254.334 -0.310 20 0 CBADHO CC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001345897808 890178087 /nfs/dbraw/zinc/17/80/87/890178087.db2.gz XQNLLUYQFHLAEM-QWRGUYRKSA-N 1 3 266.349 -0.362 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC001346332435 890271806 /nfs/dbraw/zinc/27/18/06/890271806.db2.gz IDNTUNMVPBSLPF-CQSZACIVSA-N 1 3 299.463 -0.639 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001346385969 890279591 /nfs/dbraw/zinc/27/95/91/890279591.db2.gz YEYHGCWDABFWDR-GRYCIOLGSA-N 1 3 255.362 -0.321 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001346385969 890279608 /nfs/dbraw/zinc/27/96/08/890279608.db2.gz YEYHGCWDABFWDR-GRYCIOLGSA-N 1 3 255.362 -0.321 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347060783 890398038 /nfs/dbraw/zinc/39/80/38/890398038.db2.gz ILNGVNMIKYDZOK-SSDOTTSWSA-N 1 3 268.321 -0.823 20 0 CBADHO C([C@@H]1CNCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001347145861 890416376 /nfs/dbraw/zinc/41/63/76/890416376.db2.gz QPAQDANGUSHEAM-KGLIPLIRSA-N 1 3 269.389 -0.371 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001448980980 913476770 /nfs/dbraw/zinc/47/67/70/913476770.db2.gz OIILRSMXTALDLY-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001348964539 890737586 /nfs/dbraw/zinc/73/75/86/890737586.db2.gz AOBCBMONRMYMTN-ZDUSSCGKSA-N 1 3 257.378 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001349022614 890747906 /nfs/dbraw/zinc/74/79/06/890747906.db2.gz FHNMMFNXVZGQBU-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001349022614 890747910 /nfs/dbraw/zinc/74/79/10/890747910.db2.gz FHNMMFNXVZGQBU-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO O=C(N1CCOC2(CNC2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001349608924 890849671 /nfs/dbraw/zinc/84/96/71/890849671.db2.gz VYWXGOZXQUVDPF-RISCZKNCSA-N 1 3 265.357 -0.281 20 0 CBADHO C[NH2+]CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(C)C ZINC001350646808 891019342 /nfs/dbraw/zinc/01/93/42/891019342.db2.gz MRKBFFNTWRDJPA-QWHCGFSZSA-N 1 3 296.415 -0.395 20 0 CBADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1CNCCO1)C2 ZINC001353430753 891424728 /nfs/dbraw/zinc/42/47/28/891424728.db2.gz QRRCLAIFHLFCJV-FOBZMYGMSA-N 1 3 268.361 -0.456 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001353430276 891425939 /nfs/dbraw/zinc/42/59/39/891425939.db2.gz PSABMAMFUZGJOO-AAEUAGOBSA-N 1 3 268.361 -0.488 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC001353518641 891440399 /nfs/dbraw/zinc/44/03/99/891440399.db2.gz SCSIDPMJXMSRQD-MNOVXSKESA-N 1 3 268.361 -0.360 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1C1CC1 ZINC001353580622 891449366 /nfs/dbraw/zinc/44/93/66/891449366.db2.gz AFUGHWICYIWTAO-DGWNVUOJSA-N 1 3 267.373 -0.172 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1C1CC1 ZINC001353580623 891450761 /nfs/dbraw/zinc/45/07/61/891450761.db2.gz AFUGHWICYIWTAO-LLTHYPCUSA-N 1 3 267.373 -0.172 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)NC[C@H]1NCCc2ccccc21 ZINC001353647112 891455474 /nfs/dbraw/zinc/45/54/74/891455474.db2.gz ZTZFVKNEZQFPGC-WCQYABFASA-N 1 3 263.341 -0.301 20 0 CBADHO CS(=O)(=O)C[C@H](O)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001354238548 891544598 /nfs/dbraw/zinc/54/45/98/891544598.db2.gz XGDWYKJHRHPZDQ-GMTAPVOTSA-N 1 3 264.391 -0.501 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001354524326 891590316 /nfs/dbraw/zinc/59/03/16/891590316.db2.gz VMEZXYCAXIGHTI-RWMBFGLXSA-N 1 3 266.389 -0.557 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001354524326 891590322 /nfs/dbraw/zinc/59/03/22/891590322.db2.gz VMEZXYCAXIGHTI-RWMBFGLXSA-N 1 3 266.389 -0.557 20 0 CBADHO COCCNCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354780401 891615094 /nfs/dbraw/zinc/61/50/94/891615094.db2.gz BXUVBNDPGRGWMZ-HTQZYQBOSA-N 1 3 269.267 -0.430 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354780456 891616298 /nfs/dbraw/zinc/61/62/98/891616298.db2.gz CEJPIBHBPRGKQR-RNJXMRFFSA-N 1 3 269.267 -0.302 20 0 CBADHO COCCNCC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001354893291 891628571 /nfs/dbraw/zinc/62/85/71/891628571.db2.gz KOWWCSCQFONDRB-AWEZNQCLSA-N 1 3 293.371 -0.781 20 0 CBADHO [NH3+]CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001356226744 891741199 /nfs/dbraw/zinc/74/11/99/891741199.db2.gz BXYAXSJLRVZGOM-NEPJUHHUSA-N 1 3 271.361 -0.981 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](N)C(C)(C)O)[C@@H]2C1 ZINC001356402678 891754049 /nfs/dbraw/zinc/75/40/49/891754049.db2.gz SVPNAZHGEWDLGR-ZRUFSTJUSA-N 1 3 255.362 -0.459 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](N)C(C)(C)O)[C@@H]2C1 ZINC001356402678 891754062 /nfs/dbraw/zinc/75/40/62/891754062.db2.gz SVPNAZHGEWDLGR-ZRUFSTJUSA-N 1 3 255.362 -0.459 20 0 CBADHO C[NH+](C)CCOCCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001357536406 891911292 /nfs/dbraw/zinc/91/12/92/891911292.db2.gz QXWFYXTZIIEBFK-NSHDSACASA-N 1 3 295.387 -0.015 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001357661488 891928338 /nfs/dbraw/zinc/92/83/38/891928338.db2.gz WBEWADADISFAGA-RKDXNWHRSA-N 1 3 261.391 -0.704 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC001357801569 891937616 /nfs/dbraw/zinc/93/76/16/891937616.db2.gz JWCAWTVHIYZDQD-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@H](O)CNC(=O)c1cccc2c1OCCNC2 ZINC001357865135 891939698 /nfs/dbraw/zinc/93/96/98/891939698.db2.gz NZHMKPGPHHIOMQ-JTQLQIEISA-N 1 3 265.313 -0.782 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357946123 891946345 /nfs/dbraw/zinc/94/63/45/891946345.db2.gz UMUOUXZRPONNRG-GHMZBOCLSA-N 1 3 257.378 -0.067 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001357967068 891950968 /nfs/dbraw/zinc/95/09/68/891950968.db2.gz PEEUKPVHSNNLFC-RYUDHWBXSA-N 1 3 257.378 -0.102 20 0 CBADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001450443247 913695773 /nfs/dbraw/zinc/69/57/73/913695773.db2.gz UFMFNKGATJAIKV-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001450443247 913695780 /nfs/dbraw/zinc/69/57/80/913695780.db2.gz UFMFNKGATJAIKV-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001364418088 894404071 /nfs/dbraw/zinc/40/40/71/894404071.db2.gz OOEVLTFWROZEQD-HUUCEWRRSA-N 1 3 285.432 -0.313 20 0 CBADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001364418088 894404100 /nfs/dbraw/zinc/40/41/00/894404100.db2.gz OOEVLTFWROZEQD-HUUCEWRRSA-N 1 3 285.432 -0.313 20 0 CBADHO C[NH+]1CCC(NC(=O)CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001365328342 894906679 /nfs/dbraw/zinc/90/66/79/894906679.db2.gz FIAPLIKCTPBGDD-KWCYVHTRSA-N 1 3 281.400 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365832252 895130811 /nfs/dbraw/zinc/13/08/11/895130811.db2.gz XHQMSXQBVTZUEC-FRRDWIJNSA-N 1 3 296.415 -0.301 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001365849331 895132071 /nfs/dbraw/zinc/13/20/71/895132071.db2.gz WDAPDYAVGCFWAD-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001365850405 895132375 /nfs/dbraw/zinc/13/23/75/895132375.db2.gz XXJDSVZFNOHGPO-LPWJVIDDSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082992 895184400 /nfs/dbraw/zinc/18/44/00/895184400.db2.gz REFARDHNQDJERP-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082994 895185564 /nfs/dbraw/zinc/18/55/64/895185564.db2.gz REFARDHNQDJERP-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366082990 895186101 /nfs/dbraw/zinc/18/61/01/895186101.db2.gz REFARDHNQDJERP-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001366097347 895188404 /nfs/dbraw/zinc/18/84/04/895188404.db2.gz GVMMOZGLSAARPR-IHRRRGAJSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001366123869 895196720 /nfs/dbraw/zinc/19/67/20/895196720.db2.gz DCHOLMIVMRJYEW-LPWJVIDDSA-N 1 3 287.404 -0.429 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001366115550 895198239 /nfs/dbraw/zinc/19/82/39/895198239.db2.gz DCHOLMIVMRJYEW-FDYHWXHSSA-N 1 3 287.404 -0.429 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001366125467 895203008 /nfs/dbraw/zinc/20/30/08/895203008.db2.gz UCXUXUHMRBDHOY-ZDEQEGDKSA-N 1 3 296.415 -0.302 20 0 CBADHO NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001366218858 895223427 /nfs/dbraw/zinc/22/34/27/895223427.db2.gz KEXZOJKTLIGBNG-LBPRGKRZSA-N 1 3 282.388 -0.462 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001366288247 895263005 /nfs/dbraw/zinc/26/30/05/895263005.db2.gz PMZKJFNHSGUSDR-NEPJUHHUSA-N 1 3 287.404 -0.428 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320309 895276424 /nfs/dbraw/zinc/27/64/24/895276424.db2.gz BMCBMLSGVUYRLX-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CC1 ZINC001366338181 895283586 /nfs/dbraw/zinc/28/35/86/895283586.db2.gz AQYYOPWPRXZITL-NSHDSACASA-N 1 3 294.399 -0.545 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366383001 895303294 /nfs/dbraw/zinc/30/32/94/895303294.db2.gz YURGNVBOSSFAGZ-GXTWGEPZSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366385498 895305455 /nfs/dbraw/zinc/30/54/55/895305455.db2.gz MDGBIIXRIWTKBG-ZDUSSCGKSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366396819 895308492 /nfs/dbraw/zinc/30/84/92/895308492.db2.gz XMRCNYCWMRGZQW-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001366411981 895316813 /nfs/dbraw/zinc/31/68/13/895316813.db2.gz SCFJKZSFNCFXIP-NSHDSACASA-N 1 3 270.377 -0.748 20 0 CBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)COC ZINC001366639147 895418933 /nfs/dbraw/zinc/41/89/33/895418933.db2.gz FHJLGKHBMRGIKB-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)COC ZINC001366639147 895418946 /nfs/dbraw/zinc/41/89/46/895418946.db2.gz FHJLGKHBMRGIKB-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001366768676 895453552 /nfs/dbraw/zinc/45/35/52/895453552.db2.gz HERAYSVQGBTKSF-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001366768676 895453558 /nfs/dbraw/zinc/45/35/58/895453558.db2.gz HERAYSVQGBTKSF-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001366768678 895454445 /nfs/dbraw/zinc/45/44/45/895454445.db2.gz HERAYSVQGBTKSF-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001366768678 895454449 /nfs/dbraw/zinc/45/44/49/895454449.db2.gz HERAYSVQGBTKSF-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366779045 895461303 /nfs/dbraw/zinc/46/13/03/895461303.db2.gz QRVVWMXKYCZMMJ-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366779045 895461310 /nfs/dbraw/zinc/46/13/10/895461310.db2.gz QRVVWMXKYCZMMJ-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366907043 895479811 /nfs/dbraw/zinc/47/98/11/895479811.db2.gz GEJKIWLFCAFERZ-MELADBBJSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366907043 895479816 /nfs/dbraw/zinc/47/98/16/895479816.db2.gz GEJKIWLFCAFERZ-MELADBBJSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)NC)N(C)C ZINC001367131695 895573577 /nfs/dbraw/zinc/57/35/77/895573577.db2.gz JWIKHZVZAMBRQS-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367220756 895585556 /nfs/dbraw/zinc/58/55/56/895585556.db2.gz NQUSTHIYRMZZEI-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001367222046 895586582 /nfs/dbraw/zinc/58/65/82/895586582.db2.gz UGHQXAPUTATWNN-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367238843 895591864 /nfs/dbraw/zinc/59/18/64/895591864.db2.gz COCSMBUWESHVDG-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001367238840 895592328 /nfs/dbraw/zinc/59/23/28/895592328.db2.gz COCSMBUWESHVDG-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367281772 895602131 /nfs/dbraw/zinc/60/21/31/895602131.db2.gz AMQIPHLXOGNACZ-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367414221 895633109 /nfs/dbraw/zinc/63/31/09/895633109.db2.gz MOZYZGNMZAOEJV-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(N)=O ZINC001367481988 895642062 /nfs/dbraw/zinc/64/20/62/895642062.db2.gz QPSWETDCGSBGKB-LLVKDONJSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367625267 895711996 /nfs/dbraw/zinc/71/19/96/895711996.db2.gz DPVCBYMYXYZGQC-OLZOCXBDSA-N 1 3 287.404 -0.570 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001367646009 895722690 /nfs/dbraw/zinc/72/26/90/895722690.db2.gz YNZCHCMMIIQPSO-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C1(C[NH+](C)C)CC1 ZINC001367649750 895726532 /nfs/dbraw/zinc/72/65/32/895726532.db2.gz SEWAYHBKGJCKJK-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001367706800 895759521 /nfs/dbraw/zinc/75/95/21/895759521.db2.gz SMQBKZUTKNATMI-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001367706800 895759528 /nfs/dbraw/zinc/75/95/28/895759528.db2.gz SMQBKZUTKNATMI-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001367742344 895786416 /nfs/dbraw/zinc/78/64/16/895786416.db2.gz XOQPWLUPQLWNAM-SDDRHHMPSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001367758593 895790651 /nfs/dbraw/zinc/79/06/51/895790651.db2.gz YGDMAIDXUCTYJL-AXFHLTTASA-N 1 3 272.393 -0.445 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367765555 895798928 /nfs/dbraw/zinc/79/89/28/895798928.db2.gz CDZYKDAYZOGIGR-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367770530 895801023 /nfs/dbraw/zinc/80/10/23/895801023.db2.gz CVZANOHFJFVYDT-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367770530 895801037 /nfs/dbraw/zinc/80/10/37/895801037.db2.gz CVZANOHFJFVYDT-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368255048 895944926 /nfs/dbraw/zinc/94/49/26/895944926.db2.gz ITPGTEZZLBWBTI-ZFWWWQNUSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368255048 895944941 /nfs/dbraw/zinc/94/49/41/895944941.db2.gz ITPGTEZZLBWBTI-ZFWWWQNUSA-N 1 3 299.415 -0.594 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001368580932 896040632 /nfs/dbraw/zinc/04/06/32/896040632.db2.gz PFWQGUXEDXUFRW-ZDEQEGDKSA-N 1 3 298.431 -0.069 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001368594868 896041932 /nfs/dbraw/zinc/04/19/32/896041932.db2.gz XJXBLMVFJSNEPA-CYDGBPFRSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368679931 896057853 /nfs/dbraw/zinc/05/78/53/896057853.db2.gz ZFAMLLHMSNTQOE-STQMWFEESA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368679928 896060281 /nfs/dbraw/zinc/06/02/81/896060281.db2.gz ZFAMLLHMSNTQOE-QWHCGFSZSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368869907 896099985 /nfs/dbraw/zinc/09/99/85/896099985.db2.gz QLGGGEJQNPTAFA-MNOVXSKESA-N 1 3 293.433 -0.535 20 0 CBADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368868968 896101669 /nfs/dbraw/zinc/10/16/69/896101669.db2.gz PLNUBANAXKLIIC-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001369269833 896185458 /nfs/dbraw/zinc/18/54/58/896185458.db2.gz FHUHREUUCDWJAS-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(N)=O ZINC001369272151 896185354 /nfs/dbraw/zinc/18/53/54/896185354.db2.gz MJBGIXOQDBUNAC-MNOVXSKESA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369469640 896287110 /nfs/dbraw/zinc/28/71/10/896287110.db2.gz GRSAPKXLUMEFNC-AAEUAGOBSA-N 1 3 296.371 -0.602 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001369565328 896319511 /nfs/dbraw/zinc/31/95/11/896319511.db2.gz RVHUCXUBPPXIOM-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO C[NH+]1CCC(CC(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1 ZINC001370345645 896419254 /nfs/dbraw/zinc/41/92/54/896419254.db2.gz RMKUWVKMSDDJGA-CYBMUJFWSA-N 1 3 296.415 -0.312 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001370358157 896420378 /nfs/dbraw/zinc/42/03/78/896420378.db2.gz XXIGNSHLNHUDEG-AVGNSLFASA-N 1 3 285.388 -0.722 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001370492370 896437500 /nfs/dbraw/zinc/43/75/00/896437500.db2.gz QYPHDKYKCCYZPF-JHJVBQTASA-N 1 3 296.415 -0.158 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001370630810 896453030 /nfs/dbraw/zinc/45/30/30/896453030.db2.gz KWVTVKHSXNIGSM-OUAUKWLOSA-N 1 3 288.367 -0.612 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371422618 896606731 /nfs/dbraw/zinc/60/67/31/896606731.db2.gz DRSZVHVZPHDJLE-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC ZINC001371412240 896607245 /nfs/dbraw/zinc/60/72/45/896607245.db2.gz WUWINNXGBSVVKR-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC ZINC001371412240 896607253 /nfs/dbraw/zinc/60/72/53/896607253.db2.gz WUWINNXGBSVVKR-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001371424404 896610159 /nfs/dbraw/zinc/61/01/59/896610159.db2.gz IBJIYAPOZZHYQM-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001371472955 896620722 /nfs/dbraw/zinc/62/07/22/896620722.db2.gz HZAPHAAPDVTCHW-JSGCOSHPSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001371511200 896625827 /nfs/dbraw/zinc/62/58/27/896625827.db2.gz XFFJDMIUEKEEEC-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](NCC(N)=O)C1)[NH+](CC)CC ZINC001371533701 896633059 /nfs/dbraw/zinc/63/30/59/896633059.db2.gz KWGBPWCSRGTKEO-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371545069 896633159 /nfs/dbraw/zinc/63/31/59/896633159.db2.gz WEPLZTOENCNICQ-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)N(C)C ZINC001371824953 896668061 /nfs/dbraw/zinc/66/80/61/896668061.db2.gz HSCSXBRMQOOLCH-CMPLNLGQSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001372319394 896770765 /nfs/dbraw/zinc/77/07/65/896770765.db2.gz WHFIMSDQBAMDNS-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001372970460 896915538 /nfs/dbraw/zinc/91/55/38/896915538.db2.gz WWYAYMTZWLJMJS-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373034133 896928690 /nfs/dbraw/zinc/92/86/90/896928690.db2.gz PMWSYBVYKMWGTO-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001373642507 897086580 /nfs/dbraw/zinc/08/65/80/897086580.db2.gz GTQJGKKWUYQVGH-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001373757942 897115058 /nfs/dbraw/zinc/11/50/58/897115058.db2.gz KQBYPKNRELEPCG-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001373972464 897144910 /nfs/dbraw/zinc/14/49/10/897144910.db2.gz RKFBBKBOHZAOCN-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001374098945 897171172 /nfs/dbraw/zinc/17/11/72/897171172.db2.gz QBHVUMRKTOQMIE-GHMZBOCLSA-N 1 3 272.393 -0.586 20 0 CBADHO CN(CC(=O)NCC1([NH2+]CC(N)=O)CCCC1)C1CCC1 ZINC001374161272 897179130 /nfs/dbraw/zinc/17/91/30/897179130.db2.gz HXNAFDIVWYVTBE-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374282466 897204488 /nfs/dbraw/zinc/20/44/88/897204488.db2.gz PTTYIRZMQZDGEQ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374282466 897204506 /nfs/dbraw/zinc/20/45/06/897204506.db2.gz PTTYIRZMQZDGEQ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001374456809 897230211 /nfs/dbraw/zinc/23/02/11/897230211.db2.gz WJBGNZRIUNESFO-LBPRGKRZSA-N 1 3 286.420 -0.197 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001374673033 897336572 /nfs/dbraw/zinc/33/65/72/897336572.db2.gz UBIAOFZEEQWJJJ-OLZOCXBDSA-N 1 3 297.403 -0.673 20 0 CBADHO CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001374709379 897352183 /nfs/dbraw/zinc/35/21/83/897352183.db2.gz HTGCSGIHLFYKNZ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780460 897384996 /nfs/dbraw/zinc/38/49/96/897384996.db2.gz MSRYSXGOOVBKOV-GHMZBOCLSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374811712 897400796 /nfs/dbraw/zinc/40/07/96/897400796.db2.gz RLZFAWMQEFCYNR-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001374848046 897412659 /nfs/dbraw/zinc/41/26/59/897412659.db2.gz CBNYMFGXYKZOOD-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001374926312 897433885 /nfs/dbraw/zinc/43/38/85/897433885.db2.gz MYNQRQFUTXEBAQ-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374922070 897433939 /nfs/dbraw/zinc/43/39/39/897433939.db2.gz LRNUGFKPVJHWGM-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001374932147 897434043 /nfs/dbraw/zinc/43/40/43/897434043.db2.gz VDFRFIQGODHBJU-RWMBFGLXSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001374933250 897438447 /nfs/dbraw/zinc/43/84/47/897438447.db2.gz GKFIHMXPSYQRJC-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001375277127 897507502 /nfs/dbraw/zinc/50/75/02/897507502.db2.gz JYKAUEJATMZFJS-JQWIXIFHSA-N 1 3 284.404 -0.315 20 0 CBADHO COCCN1CC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001375375001 897531119 /nfs/dbraw/zinc/53/11/19/897531119.db2.gz VJCRSCCYJDWZGE-KGLIPLIRSA-N 1 3 299.415 -0.208 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001375409877 897538251 /nfs/dbraw/zinc/53/82/51/897538251.db2.gz DYDCCSVTPFULOI-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375433349 897543874 /nfs/dbraw/zinc/54/38/74/897543874.db2.gz OYKSCFCOJMQUEW-QWRGUYRKSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCOC)C1 ZINC001376086483 897647834 /nfs/dbraw/zinc/64/78/34/897647834.db2.gz DMWYLHXKPRZHGM-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCOC)C1 ZINC001376086483 897647843 /nfs/dbraw/zinc/64/78/43/897647843.db2.gz DMWYLHXKPRZHGM-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001376103341 897654086 /nfs/dbraw/zinc/65/40/86/897654086.db2.gz ZIUBRRINYDSXQQ-CQSZACIVSA-N 1 3 287.404 -0.474 20 0 CBADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001376103341 897654093 /nfs/dbraw/zinc/65/40/93/897654093.db2.gz ZIUBRRINYDSXQQ-CQSZACIVSA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001376364297 897719971 /nfs/dbraw/zinc/71/99/71/897719971.db2.gz FNCOZKHPFBLCKE-YRGRVCCFSA-N 1 3 299.415 -0.285 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001376392724 897722748 /nfs/dbraw/zinc/72/27/48/897722748.db2.gz WEXFDXUZHLWAST-FIQHERPVSA-N 1 3 284.404 -0.317 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001376394681 897723251 /nfs/dbraw/zinc/72/32/51/897723251.db2.gz DELSMCRLQNIBIO-DCAQKATOSA-N 1 3 270.377 -0.691 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001376377018 897724327 /nfs/dbraw/zinc/72/43/27/897724327.db2.gz RWUIBJNHMZDLQA-GWOFURMSSA-N 1 3 270.377 -0.563 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001376606908 897784166 /nfs/dbraw/zinc/78/41/66/897784166.db2.gz DZXKCFVKTUBQPJ-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001376803219 897853649 /nfs/dbraw/zinc/85/36/49/897853649.db2.gz OHEZHRAKZXUNKK-CMPLNLGQSA-N 1 3 272.393 -0.587 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001376816137 897857049 /nfs/dbraw/zinc/85/70/49/897857049.db2.gz ZLYSERDLEBVKRU-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001376871920 897874610 /nfs/dbraw/zinc/87/46/10/897874610.db2.gz ZSKCHWYSKRQDLN-QWHCGFSZSA-N 1 3 287.404 -0.476 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376886960 897885634 /nfs/dbraw/zinc/88/56/34/897885634.db2.gz ZYPSHZSZRHGMRI-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001376903230 897887532 /nfs/dbraw/zinc/88/75/32/897887532.db2.gz XMSAVXPEGUIDQQ-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001376930070 897893794 /nfs/dbraw/zinc/89/37/94/897893794.db2.gz AHVFCILZTRBHLM-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001376952436 897901034 /nfs/dbraw/zinc/90/10/34/897901034.db2.gz FYOCUUQEIQTQKQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001377037546 897916817 /nfs/dbraw/zinc/91/68/17/897916817.db2.gz SKSZKJPGAXDTGI-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001377114396 897931414 /nfs/dbraw/zinc/93/14/14/897931414.db2.gz VTTSJCMWXWLERS-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001377178650 897960887 /nfs/dbraw/zinc/96/08/87/897960887.db2.gz VYBAMHKETNJQEE-CQSZACIVSA-N 1 3 287.404 -0.738 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001377273864 897993727 /nfs/dbraw/zinc/99/37/27/897993727.db2.gz KWDRWMQRFBYGEO-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001377450679 898053590 /nfs/dbraw/zinc/05/35/90/898053590.db2.gz RMFDJBLWAQXRDQ-SDDRHHMPSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575755 898091081 /nfs/dbraw/zinc/09/10/81/898091081.db2.gz JWTWEJZFFGBOOV-QWHCGFSZSA-N 1 3 296.415 -0.360 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001377574575 898091512 /nfs/dbraw/zinc/09/15/12/898091512.db2.gz CKACOYLQLBDBDH-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001377574575 898091522 /nfs/dbraw/zinc/09/15/22/898091522.db2.gz CKACOYLQLBDBDH-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596366 898101323 /nfs/dbraw/zinc/10/13/23/898101323.db2.gz HLDAKVSQTARHJQ-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596366 898101327 /nfs/dbraw/zinc/10/13/27/898101327.db2.gz HLDAKVSQTARHJQ-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596367 898102011 /nfs/dbraw/zinc/10/20/11/898102011.db2.gz HLDAKVSQTARHJQ-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596367 898102018 /nfs/dbraw/zinc/10/20/18/898102018.db2.gz HLDAKVSQTARHJQ-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001377596364 898102613 /nfs/dbraw/zinc/10/26/13/898102613.db2.gz HLDAKVSQTARHJQ-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001377596364 898102619 /nfs/dbraw/zinc/10/26/19/898102619.db2.gz HLDAKVSQTARHJQ-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377804780 898140879 /nfs/dbraw/zinc/14/08/79/898140879.db2.gz AHMIECHBSGMKOT-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377844114 898147753 /nfs/dbraw/zinc/14/77/53/898147753.db2.gz WEYDZVLBPKWWFM-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378081409 898227349 /nfs/dbraw/zinc/22/73/49/898227349.db2.gz RNKYWSPMZMLAPU-MELADBBJSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378081409 898227363 /nfs/dbraw/zinc/22/73/63/898227363.db2.gz RNKYWSPMZMLAPU-MELADBBJSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N(C)C ZINC001378298153 898307201 /nfs/dbraw/zinc/30/72/01/898307201.db2.gz HHAOTFPLCSQSAL-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(N)=O ZINC001378336614 898317166 /nfs/dbraw/zinc/31/71/66/898317166.db2.gz HXWZWMBBUCTCGY-GHMZBOCLSA-N 1 3 272.393 -0.315 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001378512342 898341706 /nfs/dbraw/zinc/34/17/06/898341706.db2.gz MNZFEJQVSFNLTF-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001378612768 898365421 /nfs/dbraw/zinc/36/54/21/898365421.db2.gz YIZFTAPFTUPAPU-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378780249 898408617 /nfs/dbraw/zinc/40/86/17/898408617.db2.gz AMSQXCRUEWRKCG-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378774019 898409145 /nfs/dbraw/zinc/40/91/45/898409145.db2.gz JCQYUASJVJLFNN-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001378779561 898409302 /nfs/dbraw/zinc/40/93/02/898409302.db2.gz XCRZFOIIONZYGC-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001378852248 898423001 /nfs/dbraw/zinc/42/30/01/898423001.db2.gz LBSQMDRLMIBJQJ-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001378852252 898423484 /nfs/dbraw/zinc/42/34/84/898423484.db2.gz LBSQMDRLMIBJQJ-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001378894726 898430371 /nfs/dbraw/zinc/43/03/71/898430371.db2.gz GMKUHCBQDMJMPB-CMPLNLGQSA-N 1 3 293.371 -0.475 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)N(C)C ZINC001378995824 898441616 /nfs/dbraw/zinc/44/16/16/898441616.db2.gz GEOMSFXNOFEKKK-QWRGUYRKSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001379136653 898474458 /nfs/dbraw/zinc/47/44/58/898474458.db2.gz ZQXLGCKMSAOGSV-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001379136653 898474451 /nfs/dbraw/zinc/47/44/51/898474451.db2.gz ZQXLGCKMSAOGSV-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001379134327 898474856 /nfs/dbraw/zinc/47/48/56/898474856.db2.gz JFCOEEBOPHQNMQ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001379134327 898474861 /nfs/dbraw/zinc/47/48/61/898474861.db2.gz JFCOEEBOPHQNMQ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278540 898535202 /nfs/dbraw/zinc/53/52/02/898535202.db2.gz QCSYEQRSWOZDAH-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379285155 898536218 /nfs/dbraw/zinc/53/62/18/898536218.db2.gz NSXOHESBRNSZGP-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278542 898536656 /nfs/dbraw/zinc/53/66/56/898536656.db2.gz QCSYEQRSWOZDAH-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001379328520 898552493 /nfs/dbraw/zinc/55/24/93/898552493.db2.gz ZHSHJSKSPCBUSF-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001379551533 898664660 /nfs/dbraw/zinc/66/46/60/898664660.db2.gz OBJJWSFIVCRGKF-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379583982 898672135 /nfs/dbraw/zinc/67/21/35/898672135.db2.gz ZZYBDNNGFBNFHK-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379583982 898672147 /nfs/dbraw/zinc/67/21/47/898672147.db2.gz ZZYBDNNGFBNFHK-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001379735977 898711689 /nfs/dbraw/zinc/71/16/89/898711689.db2.gz UKOZNCYPVUSFMS-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](CN(C)CCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001379770290 898723848 /nfs/dbraw/zinc/72/38/48/898723848.db2.gz UJZBZAAOSNBLHN-LBPRGKRZSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081793 898804643 /nfs/dbraw/zinc/80/46/43/898804643.db2.gz UPFAXZYLJYBQES-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081793 898804659 /nfs/dbraw/zinc/80/46/59/898804659.db2.gz UPFAXZYLJYBQES-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001380289368 898852264 /nfs/dbraw/zinc/85/22/64/898852264.db2.gz JMIHUCJVZBRERE-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001380289368 898852279 /nfs/dbraw/zinc/85/22/79/898852279.db2.gz JMIHUCJVZBRERE-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001380566562 898902772 /nfs/dbraw/zinc/90/27/72/898902772.db2.gz QLJFDXGFUYTPFY-OCCSQVGLSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001380566562 898902793 /nfs/dbraw/zinc/90/27/93/898902793.db2.gz QLJFDXGFUYTPFY-OCCSQVGLSA-N 1 3 287.404 -0.738 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380572410 898903340 /nfs/dbraw/zinc/90/33/40/898903340.db2.gz MIBOCWOVFWARQT-OCCSQVGLSA-N 1 3 285.388 -0.863 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380572410 898903352 /nfs/dbraw/zinc/90/33/52/898903352.db2.gz MIBOCWOVFWARQT-OCCSQVGLSA-N 1 3 285.388 -0.863 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001381124010 898999345 /nfs/dbraw/zinc/99/93/45/898999345.db2.gz PWQXXOYDUCSSFV-NEPJUHHUSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001381624912 899097274 /nfs/dbraw/zinc/09/72/74/899097274.db2.gz YSXFVAKJBDJLJI-OLZOCXBDSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001381624912 899097293 /nfs/dbraw/zinc/09/72/93/899097293.db2.gz YSXFVAKJBDJLJI-OLZOCXBDSA-N 1 3 294.403 -0.334 20 0 CBADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001381806505 899115656 /nfs/dbraw/zinc/11/56/56/899115656.db2.gz PTYSXUQXBAHCFA-AAEUAGOBSA-N 1 3 287.404 -0.618 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001381913440 899128167 /nfs/dbraw/zinc/12/81/67/899128167.db2.gz DDEQLOXCYCCCHB-JHEVNIALSA-N 1 3 292.383 -0.065 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001381913440 899128174 /nfs/dbraw/zinc/12/81/74/899128174.db2.gz DDEQLOXCYCCCHB-JHEVNIALSA-N 1 3 292.383 -0.065 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCC1 ZINC001382051024 899147792 /nfs/dbraw/zinc/14/77/92/899147792.db2.gz NQYXRBULVJWLNF-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318791 899247996 /nfs/dbraw/zinc/24/79/96/899247996.db2.gz RWVVNDXTXOFQPZ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001386892633 899727299 /nfs/dbraw/zinc/72/72/99/899727299.db2.gz ZXRULFMEBDNSRC-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386892633 899727309 /nfs/dbraw/zinc/72/73/09/899727309.db2.gz ZXRULFMEBDNSRC-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001387094017 899760296 /nfs/dbraw/zinc/76/02/96/899760296.db2.gz MKBJPQCQJSAJRX-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389618537 900048986 /nfs/dbraw/zinc/04/89/86/900048986.db2.gz WFOYEZAFXXFESZ-RWMBFGLXSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC[N@H+]1C ZINC001389618537 900048993 /nfs/dbraw/zinc/04/89/93/900048993.db2.gz WFOYEZAFXXFESZ-RWMBFGLXSA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001389626098 900053344 /nfs/dbraw/zinc/05/33/44/900053344.db2.gz ACCYBXWPBXXSEY-LLVKDONJSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001389785132 900071800 /nfs/dbraw/zinc/07/18/00/900071800.db2.gz YGUFRMFLEUBYDW-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001389869696 900085367 /nfs/dbraw/zinc/08/53/67/900085367.db2.gz LGRFPGZVZBHIBS-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001389864594 900085889 /nfs/dbraw/zinc/08/58/89/900085889.db2.gz WEXFDXUZHLWAST-KKOKHZNYSA-N 1 3 284.404 -0.317 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001389861093 900086377 /nfs/dbraw/zinc/08/63/77/900086377.db2.gz NAQYBJDFHRRVOW-GMTAPVOTSA-N 1 3 282.388 -0.419 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(N)=O ZINC001390450786 900161552 /nfs/dbraw/zinc/16/15/52/900161552.db2.gz BPOBTRYQMDSUEB-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)N(C)C ZINC001390464473 900167153 /nfs/dbraw/zinc/16/71/53/900167153.db2.gz FBGRCHDNNNARBX-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390463725 900168001 /nfs/dbraw/zinc/16/80/01/900168001.db2.gz OWPDLMXSBRJGEV-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522592 900181379 /nfs/dbraw/zinc/18/13/79/900181379.db2.gz RWHGUZNHGRCLPF-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522592 900181384 /nfs/dbraw/zinc/18/13/84/900181384.db2.gz RWHGUZNHGRCLPF-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390538774 900183096 /nfs/dbraw/zinc/18/30/96/900183096.db2.gz PAFSCUSQJVVIAL-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001390537965 900183154 /nfs/dbraw/zinc/18/31/54/900183154.db2.gz YVAVSPBGRSJKFO-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001390555780 900189659 /nfs/dbraw/zinc/18/96/59/900189659.db2.gz FXIFGSNDOACDAU-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001390595071 900193619 /nfs/dbraw/zinc/19/36/19/900193619.db2.gz QYHCEZSMJZYONW-NWDGAFQWSA-N 1 3 282.388 -0.748 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001390601794 900197140 /nfs/dbraw/zinc/19/71/40/900197140.db2.gz CVHMLMKMROBFCJ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001390667533 900207311 /nfs/dbraw/zinc/20/73/11/900207311.db2.gz VBNMJYGAVVXANR-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390711326 900214028 /nfs/dbraw/zinc/21/40/28/900214028.db2.gz IUSLEGCVCXFRJF-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091084 900309059 /nfs/dbraw/zinc/30/90/59/900309059.db2.gz BSVOZQJBYYPTBM-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001391220099 900343464 /nfs/dbraw/zinc/34/34/64/900343464.db2.gz OUOVBGDUSPZRKQ-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC(N)=O ZINC001391695589 900435031 /nfs/dbraw/zinc/43/50/31/900435031.db2.gz RFYNQBOQNQLOLE-PWSUYJOCSA-N 1 3 272.393 -0.458 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001391745565 900446173 /nfs/dbraw/zinc/44/61/73/900446173.db2.gz VWYKTRNVLUTBSA-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC1 ZINC001391819954 900450612 /nfs/dbraw/zinc/45/06/12/900450612.db2.gz RXEUONWVTZKADM-AWEZNQCLSA-N 1 3 296.415 -0.312 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001391940807 900466435 /nfs/dbraw/zinc/46/64/35/900466435.db2.gz VTIVWYIVBUOSRC-NEPJUHHUSA-N 1 3 286.420 -0.243 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001391940810 900467749 /nfs/dbraw/zinc/46/77/49/900467749.db2.gz VTIVWYIVBUOSRC-RYUDHWBXSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CCC[NH+](C)C ZINC001392099525 900513085 /nfs/dbraw/zinc/51/30/85/900513085.db2.gz HRWMFQGKURZRSJ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001392116228 900516476 /nfs/dbraw/zinc/51/64/76/900516476.db2.gz JJEKATSUPVNPGV-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001392116228 900516483 /nfs/dbraw/zinc/51/64/83/900516483.db2.gz JJEKATSUPVNPGV-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001392125324 900519946 /nfs/dbraw/zinc/51/99/46/900519946.db2.gz WRAIJWFMKZKQAT-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001392125324 900519952 /nfs/dbraw/zinc/51/99/52/900519952.db2.gz WRAIJWFMKZKQAT-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001392125325 900520800 /nfs/dbraw/zinc/52/08/00/900520800.db2.gz WRAIJWFMKZKQAT-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001392125325 900520810 /nfs/dbraw/zinc/52/08/10/900520810.db2.gz WRAIJWFMKZKQAT-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392132301 900520303 /nfs/dbraw/zinc/52/03/03/900520303.db2.gz LFJYZAFCFZNOOE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392132301 900520312 /nfs/dbraw/zinc/52/03/12/900520312.db2.gz LFJYZAFCFZNOOE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001392183619 900528642 /nfs/dbraw/zinc/52/86/42/900528642.db2.gz RGESINHTOSPUCC-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001392424848 900614195 /nfs/dbraw/zinc/61/41/95/900614195.db2.gz KLQGLZOTAPBVMH-UONOGXRCSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001392424848 900614205 /nfs/dbraw/zinc/61/42/05/900614205.db2.gz KLQGLZOTAPBVMH-UONOGXRCSA-N 1 3 292.383 -0.400 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001392459237 900623513 /nfs/dbraw/zinc/62/35/13/900623513.db2.gz ZQWSLYSXRLIVOQ-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001392603195 900675507 /nfs/dbraw/zinc/67/55/07/900675507.db2.gz VSXSMHBSKZIOTD-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001392603195 900675515 /nfs/dbraw/zinc/67/55/15/900675515.db2.gz VSXSMHBSKZIOTD-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001392791129 900726980 /nfs/dbraw/zinc/72/69/80/900726980.db2.gz DKNBVYBPNCMZID-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791156 900727268 /nfs/dbraw/zinc/72/72/68/900727268.db2.gz DKSZUQXWGUGNDH-ZYHUDNBSSA-N 1 3 282.388 -0.702 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001392791217 900727754 /nfs/dbraw/zinc/72/77/54/900727754.db2.gz ZSINRFMCOXGRPK-RYUDHWBXSA-N 1 3 282.388 -0.689 20 0 CBADHO COC[C@H](O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001392913261 900757649 /nfs/dbraw/zinc/75/76/49/900757649.db2.gz UQXPMHJJHKBMPA-GFCCVEGCSA-N 1 3 299.415 -0.284 20 0 CBADHO C[C@H](NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060617 900787618 /nfs/dbraw/zinc/78/76/18/900787618.db2.gz ZLNBHJNVRREQAY-RYUDHWBXSA-N 1 3 294.399 -0.463 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001393740703 900900359 /nfs/dbraw/zinc/90/03/59/900900359.db2.gz JACDGAHYYFMBRH-QWRGUYRKSA-N 1 3 270.377 -0.752 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393981925 900946650 /nfs/dbraw/zinc/94/66/50/900946650.db2.gz YFZOGRZIYCJTAK-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001394375564 901019477 /nfs/dbraw/zinc/01/94/77/901019477.db2.gz KVPTULSZWWCJQJ-CYDGBPFRSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001394519676 901041641 /nfs/dbraw/zinc/04/16/41/901041641.db2.gz MQSNOPPJZNQQPA-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001394517516 901042140 /nfs/dbraw/zinc/04/21/40/901042140.db2.gz IEQYTXGXIRMWHX-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001394519647 901043037 /nfs/dbraw/zinc/04/30/37/901043037.db2.gz MQSNOPPJZNQQPA-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001394536831 901047620 /nfs/dbraw/zinc/04/76/20/901047620.db2.gz FMPJNOFHUAXSMU-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001394536831 901047632 /nfs/dbraw/zinc/04/76/32/901047632.db2.gz FMPJNOFHUAXSMU-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394552572 901047732 /nfs/dbraw/zinc/04/77/32/901047732.db2.gz IAWDOYOQRFPELG-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394552572 901047738 /nfs/dbraw/zinc/04/77/38/901047738.db2.gz IAWDOYOQRFPELG-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394536649 901048149 /nfs/dbraw/zinc/04/81/49/901048149.db2.gz JQEWBMAXZBJOJP-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394536649 901048153 /nfs/dbraw/zinc/04/81/53/901048153.db2.gz JQEWBMAXZBJOJP-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394662403 901112216 /nfs/dbraw/zinc/11/22/16/901112216.db2.gz MKQVZGYMLAQQEX-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001394859399 901165080 /nfs/dbraw/zinc/16/50/80/901165080.db2.gz FBTQGTKMTDLETF-ORHYLEIMSA-N 1 3 298.431 -0.102 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001395172255 901186384 /nfs/dbraw/zinc/18/63/84/901186384.db2.gz QILPWFIVFHLZBE-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611212 901439463 /nfs/dbraw/zinc/43/94/63/901439463.db2.gz HGDHAVFDEIGIOA-ZDEQEGDKSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001397700210 901448479 /nfs/dbraw/zinc/44/84/79/901448479.db2.gz RGVAGALFESKNQQ-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398670757 901586780 /nfs/dbraw/zinc/58/67/80/901586780.db2.gz NMBXGPCDAMRKDZ-MBNYWOFBSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001398920770 901630798 /nfs/dbraw/zinc/63/07/98/901630798.db2.gz LUIBOOGTSZGONU-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001398920770 901630806 /nfs/dbraw/zinc/63/08/06/901630806.db2.gz LUIBOOGTSZGONU-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001398975808 901645800 /nfs/dbraw/zinc/64/58/00/901645800.db2.gz LFDKDBYTQBJDJE-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001398975806 901645891 /nfs/dbraw/zinc/64/58/91/901645891.db2.gz LFDKDBYTQBJDJE-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001399177154 901680190 /nfs/dbraw/zinc/68/01/90/901680190.db2.gz VSJCTMDQYOYPMV-MNOVXSKESA-N 1 3 270.377 -0.691 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001399187949 901680970 /nfs/dbraw/zinc/68/09/70/901680970.db2.gz XXICFTHBMTVJGK-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001399245881 901686423 /nfs/dbraw/zinc/68/64/23/901686423.db2.gz PFYKKQZLWMHTKS-ZDUSSCGKSA-N 1 3 296.415 -0.358 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001399365071 901705046 /nfs/dbraw/zinc/70/50/46/901705046.db2.gz WSKNOUAJHPFUTR-YPMHNXCESA-N 1 3 286.420 -0.197 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001399365066 901706172 /nfs/dbraw/zinc/70/61/72/901706172.db2.gz WSKNOUAJHPFUTR-AAEUAGOBSA-N 1 3 286.420 -0.197 20 0 CBADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938509 901838275 /nfs/dbraw/zinc/83/82/75/901838275.db2.gz ZVMFWMGPDCAEID-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(N)=O ZINC001400825414 902023995 /nfs/dbraw/zinc/02/39/95/902023995.db2.gz MKWHMEMDVUDKPH-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001400841135 902024420 /nfs/dbraw/zinc/02/44/20/902024420.db2.gz BKEKMVSBUURXMD-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128590 902060104 /nfs/dbraw/zinc/06/01/04/902060104.db2.gz KZJFHBKXGFASHE-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001401236095 902088264 /nfs/dbraw/zinc/08/82/64/902088264.db2.gz GXBVYZVTOLYLBQ-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401260113 902095244 /nfs/dbraw/zinc/09/52/44/902095244.db2.gz WWZAECGZTTVSAT-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401260099 902097737 /nfs/dbraw/zinc/09/77/37/902097737.db2.gz WWZAECGZTTVSAT-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401598928 902182881 /nfs/dbraw/zinc/18/28/81/902182881.db2.gz CNBZRMUBMQOHKS-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401598928 902182890 /nfs/dbraw/zinc/18/28/90/902182890.db2.gz CNBZRMUBMQOHKS-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401598038 902183114 /nfs/dbraw/zinc/18/31/14/902183114.db2.gz CNBZRMUBMQOHKS-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401598038 902183120 /nfs/dbraw/zinc/18/31/20/902183120.db2.gz CNBZRMUBMQOHKS-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C1CC[NH+](C)CC1 ZINC001401603072 902184830 /nfs/dbraw/zinc/18/48/30/902184830.db2.gz SPGMSPOKUIWNQJ-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001401605479 902185473 /nfs/dbraw/zinc/18/54/73/902185473.db2.gz PSVNRCMXERXYHR-GHMZBOCLSA-N 1 3 272.393 -0.315 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401607726 902186327 /nfs/dbraw/zinc/18/63/27/902186327.db2.gz HCIPOWZRGMTKNO-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401607726 902186331 /nfs/dbraw/zinc/18/63/31/902186331.db2.gz HCIPOWZRGMTKNO-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CN1CCCC1 ZINC001401609034 902188416 /nfs/dbraw/zinc/18/84/16/902188416.db2.gz KWZBGYXFUGEZCI-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CN(C)C1CCC1 ZINC001401611948 902188592 /nfs/dbraw/zinc/18/85/92/902188592.db2.gz UKVIBKHASWMSKE-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401697672 902235790 /nfs/dbraw/zinc/23/57/90/902235790.db2.gz KRPJQPFQTLNMLS-RVMXOQNASA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401697672 902235805 /nfs/dbraw/zinc/23/58/05/902235805.db2.gz KRPJQPFQTLNMLS-RVMXOQNASA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001401704684 902239081 /nfs/dbraw/zinc/23/90/81/902239081.db2.gz BFTJRTAPXJSTEQ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401718395 902245960 /nfs/dbraw/zinc/24/59/60/902245960.db2.gz PHQDHUGZIWMIBM-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001401847168 902288758 /nfs/dbraw/zinc/28/87/58/902288758.db2.gz VPEPHDFKTMPEQW-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001401847168 902288768 /nfs/dbraw/zinc/28/87/68/902288768.db2.gz VPEPHDFKTMPEQW-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001402081899 902349252 /nfs/dbraw/zinc/34/92/52/902349252.db2.gz QPTVZDSUKRZRIS-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001402081899 902349268 /nfs/dbraw/zinc/34/92/68/902349268.db2.gz QPTVZDSUKRZRIS-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO NC(=O)CN[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001402384635 902440906 /nfs/dbraw/zinc/44/09/06/902440906.db2.gz UPIUHGKAACDYOI-ZDUSSCGKSA-N 1 3 296.415 -0.168 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001402488075 902463244 /nfs/dbraw/zinc/46/32/44/902463244.db2.gz BUVMSBWDDJODEN-IJLUTSLNSA-N 1 3 296.415 -0.158 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001402487556 902463720 /nfs/dbraw/zinc/46/37/20/902463720.db2.gz ADVKWRJFYNTXBX-NHCYSSNCSA-N 1 3 270.377 -0.705 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001402601247 902486239 /nfs/dbraw/zinc/48/62/39/902486239.db2.gz DQTXIFMSVUHXCP-YIYPIFLZSA-N 1 3 299.415 -0.428 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001402630439 902494008 /nfs/dbraw/zinc/49/40/08/902494008.db2.gz NADHLFKERHTFIV-TUAOUCFPSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001402935231 902570373 /nfs/dbraw/zinc/57/03/73/902570373.db2.gz RNXVPFWBTPGRPV-BPCQOVAHSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402951434 902572503 /nfs/dbraw/zinc/57/25/03/902572503.db2.gz MVLGMNGCFLEWBH-BPCQOVAHSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402951445 902573386 /nfs/dbraw/zinc/57/33/86/902573386.db2.gz MVLGMNGCFLEWBH-WXRRBKDZSA-N 1 3 296.415 -0.301 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001402992627 902586232 /nfs/dbraw/zinc/58/62/32/902586232.db2.gz LEZWWKKQCVCYTK-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001403089301 902613652 /nfs/dbraw/zinc/61/36/52/902613652.db2.gz HMYFRHQNJGRLMQ-STQMWFEESA-N 1 3 296.419 -0.041 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403098642 902614605 /nfs/dbraw/zinc/61/46/05/902614605.db2.gz IZPZDGHWCQUDPJ-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001403099335 902617588 /nfs/dbraw/zinc/61/75/88/902617588.db2.gz IZPZDGHWCQUDPJ-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001403145710 902627290 /nfs/dbraw/zinc/62/72/90/902627290.db2.gz UWNQTCYEPRJWDK-MWLCHTKSSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001403145710 902627300 /nfs/dbraw/zinc/62/73/00/902627300.db2.gz UWNQTCYEPRJWDK-MWLCHTKSSA-N 1 3 280.376 -0.341 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149934 902632225 /nfs/dbraw/zinc/63/22/25/902632225.db2.gz ZENRVVKEAIIXJI-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149934 902632231 /nfs/dbraw/zinc/63/22/31/902632231.db2.gz ZENRVVKEAIIXJI-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001403263434 902660172 /nfs/dbraw/zinc/66/01/72/902660172.db2.gz QKNMJJOEFMUZAS-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001403271006 902663265 /nfs/dbraw/zinc/66/32/65/902663265.db2.gz FKIKNZWWYJVFSI-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001403460219 902696733 /nfs/dbraw/zinc/69/67/33/902696733.db2.gz QKVYDUBCXQPVKU-XYPYZODXSA-N 1 3 270.377 -0.702 20 0 CBADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001403545956 902727228 /nfs/dbraw/zinc/72/72/28/902727228.db2.gz JZRDZSOTGQEUGA-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001403621635 902755121 /nfs/dbraw/zinc/75/51/21/902755121.db2.gz DGXSRBLQVZSGTD-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001403749803 902838304 /nfs/dbraw/zinc/83/83/04/902838304.db2.gz RJAIRLGSIFWOGF-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001403766836 902842335 /nfs/dbraw/zinc/84/23/35/902842335.db2.gz KEWWCQKMKPQFSI-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810289 902858574 /nfs/dbraw/zinc/85/85/74/902858574.db2.gz WVXZAYDZKNDGCN-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CCCN2CCO)CC1 ZINC001404001565 902919671 /nfs/dbraw/zinc/91/96/71/902919671.db2.gz FUMQLEMGZFPUNI-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001405304999 903141865 /nfs/dbraw/zinc/14/18/65/903141865.db2.gz MYUXHDIKEWIONM-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001405332305 903148570 /nfs/dbraw/zinc/14/85/70/903148570.db2.gz HPWHPHQZYSDVNT-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001405332305 903148565 /nfs/dbraw/zinc/14/85/65/903148565.db2.gz HPWHPHQZYSDVNT-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001405673370 903199342 /nfs/dbraw/zinc/19/93/42/903199342.db2.gz QIKBEYKBYZXHAL-PWSUYJOCSA-N 1 3 272.393 -0.600 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001405723868 903207922 /nfs/dbraw/zinc/20/79/22/903207922.db2.gz VRTZPTROMLCGPV-RYUDHWBXSA-N 1 3 286.420 -0.197 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405720237 903208524 /nfs/dbraw/zinc/20/85/24/903208524.db2.gz QODSOIBGKXTCOW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001405717568 903209879 /nfs/dbraw/zinc/20/98/79/903209879.db2.gz LFGBILWEXPMIAZ-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405802963 903225790 /nfs/dbraw/zinc/22/57/90/903225790.db2.gz CRIWBXRTRPVECP-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405802963 903225804 /nfs/dbraw/zinc/22/58/04/903225804.db2.gz CRIWBXRTRPVECP-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001405834003 903232380 /nfs/dbraw/zinc/23/23/80/903232380.db2.gz MQWSSEVZQXSKCV-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001405900137 903246102 /nfs/dbraw/zinc/24/61/02/903246102.db2.gz PADBCBOSEVWFAJ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1)C(N)=O ZINC001405884817 903246418 /nfs/dbraw/zinc/24/64/18/903246418.db2.gz HAJIAACVRHWYOL-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001405971242 903249795 /nfs/dbraw/zinc/24/97/95/903249795.db2.gz MVBOEDFNXWCECH-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001406074977 903263809 /nfs/dbraw/zinc/26/38/09/903263809.db2.gz GLJMCOYQBUPXOW-OLZOCXBDSA-N 1 3 287.404 -0.522 20 0 CBADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001406074977 903263817 /nfs/dbraw/zinc/26/38/17/903263817.db2.gz GLJMCOYQBUPXOW-OLZOCXBDSA-N 1 3 287.404 -0.522 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001406216087 903306994 /nfs/dbraw/zinc/30/69/94/903306994.db2.gz ZOMOBAITNDTHPC-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406359251 903374553 /nfs/dbraw/zinc/37/45/53/903374553.db2.gz BVLFLALHCKFEOA-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406409183 903394043 /nfs/dbraw/zinc/39/40/43/903394043.db2.gz VJRQEMFKOZXLAL-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001406484743 903416187 /nfs/dbraw/zinc/41/61/87/903416187.db2.gz VAKQXZNUUIIYIN-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764456 903474070 /nfs/dbraw/zinc/47/40/70/903474070.db2.gz SHKYWNRNPFQOAU-STQMWFEESA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764446 903475332 /nfs/dbraw/zinc/47/53/32/903475332.db2.gz SHKYWNRNPFQOAU-CHWSQXEVSA-N 1 3 296.415 -0.171 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001407754844 903655181 /nfs/dbraw/zinc/65/51/81/903655181.db2.gz DUVFWQWJQWHRHI-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001407754844 903655195 /nfs/dbraw/zinc/65/51/95/903655195.db2.gz DUVFWQWJQWHRHI-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001408092310 903709351 /nfs/dbraw/zinc/70/93/51/903709351.db2.gz LNKVWXCKKIWLDX-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001408113103 903711989 /nfs/dbraw/zinc/71/19/89/903711989.db2.gz YOCHCBCNTNDGQE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001408303488 903747709 /nfs/dbraw/zinc/74/77/09/903747709.db2.gz RVGLLLPVGOGVES-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO COC[C@H](O)CN1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001409945847 903986402 /nfs/dbraw/zinc/98/64/02/903986402.db2.gz PTYSXUQXBAHCFA-DGCLKSJQSA-N 1 3 287.404 -0.618 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001410392369 904087748 /nfs/dbraw/zinc/08/77/48/904087748.db2.gz TYKJNZSAZQXHRD-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001410427287 904095132 /nfs/dbraw/zinc/09/51/32/904095132.db2.gz AEGUAMCTGIZXNS-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410478825 904106868 /nfs/dbraw/zinc/10/68/68/904106868.db2.gz ATONQEJTTINSPH-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410478825 904106880 /nfs/dbraw/zinc/10/68/80/904106880.db2.gz ATONQEJTTINSPH-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410888181 904199959 /nfs/dbraw/zinc/19/99/59/904199959.db2.gz RMMAYQWATAAMRE-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO COCC[N@H+](CCNC(=O)[C@H]1CCCN1C)C[C@H](C)O ZINC001411213306 904261145 /nfs/dbraw/zinc/26/11/45/904261145.db2.gz FOUNOMRFKVDCTH-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO COCC[N@@H+](CCNC(=O)[C@H]1CCCN1C)C[C@H](C)O ZINC001411213306 904261163 /nfs/dbraw/zinc/26/11/63/904261163.db2.gz FOUNOMRFKVDCTH-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001411251492 904273122 /nfs/dbraw/zinc/27/31/22/904273122.db2.gz DEGNZICRAJVEFX-JXQTWKCFSA-N 1 3 299.415 -0.332 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411282346 904277436 /nfs/dbraw/zinc/27/74/36/904277436.db2.gz PDENIPPJUNJASF-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO CCn1nncc1CNCC1(O)CC[NH+](C)CC1 ZINC001461229762 914850720 /nfs/dbraw/zinc/85/07/20/914850720.db2.gz GZDSFGVEMRHPIC-UHFFFAOYSA-N 1 3 253.350 -0.156 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417257533 905882458 /nfs/dbraw/zinc/88/24/58/905882458.db2.gz NFRMMJLMGGHILJ-UHFFFAOYSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001417980265 906130179 /nfs/dbraw/zinc/13/01/79/906130179.db2.gz ALLSIULKJWNIAM-GFCCVEGCSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001418052107 906148085 /nfs/dbraw/zinc/14/80/85/906148085.db2.gz VDGBOBVIDWPAJF-STQMWFEESA-N 1 3 298.431 -0.006 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001418066122 906156020 /nfs/dbraw/zinc/15/60/20/906156020.db2.gz ZCECHJDIBDVJQJ-KKOKHZNYSA-N 1 3 282.388 -0.548 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418137851 906180246 /nfs/dbraw/zinc/18/02/46/906180246.db2.gz NZGVSHVXRIBGLB-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001418189976 906194044 /nfs/dbraw/zinc/19/40/44/906194044.db2.gz DPGCZFKHBVEVDH-UHFFFAOYSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001418232305 906228766 /nfs/dbraw/zinc/22/87/66/906228766.db2.gz CVUJDOVDCVLOSZ-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001418267845 906247230 /nfs/dbraw/zinc/24/72/30/906247230.db2.gz SXKJEXFBGRMDBJ-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001418284013 906258659 /nfs/dbraw/zinc/25/86/59/906258659.db2.gz ZOVRYWAEKQHRQS-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418347032 906290318 /nfs/dbraw/zinc/29/03/18/906290318.db2.gz CDIUIRHJVUYMLF-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001418817102 906483046 /nfs/dbraw/zinc/48/30/46/906483046.db2.gz QZAZVZKHTNVGCC-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001418831899 906491363 /nfs/dbraw/zinc/49/13/63/906491363.db2.gz PQXBKZQZNHPPMV-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001418831899 906491371 /nfs/dbraw/zinc/49/13/71/906491371.db2.gz PQXBKZQZNHPPMV-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)CN2CCCC2)C1=O ZINC001418834901 906493415 /nfs/dbraw/zinc/49/34/15/906493415.db2.gz UGXRLAFCWMVLJO-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(N)=O ZINC001419236881 906645469 /nfs/dbraw/zinc/64/54/69/906645469.db2.gz OBDBNRWBICUBCB-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO Cn1nncc1CN[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001419286373 906655593 /nfs/dbraw/zinc/65/55/93/906655593.db2.gz XEFOBJMINXZJOT-ZDUSSCGKSA-N 1 3 294.403 -0.249 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)N(C)C ZINC001419474577 906697522 /nfs/dbraw/zinc/69/75/22/906697522.db2.gz ZUEGRICGXFAGQT-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001419519685 906710526 /nfs/dbraw/zinc/71/05/26/906710526.db2.gz NQJURVKHCZESIU-XQHKEYJVSA-N 1 3 296.415 -0.206 20 0 CBADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001419560192 906727664 /nfs/dbraw/zinc/72/76/64/906727664.db2.gz HCJQVBUHAVNBKB-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572568 906732374 /nfs/dbraw/zinc/73/23/74/906732374.db2.gz SNWMYWNAQMHBLE-STQMWFEESA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705716 906772883 /nfs/dbraw/zinc/77/28/83/906772883.db2.gz RPVKPVWXIJTCHW-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001419736750 906793543 /nfs/dbraw/zinc/79/35/43/906793543.db2.gz ALPJQOQCAYKAAB-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001419736750 906793554 /nfs/dbraw/zinc/79/35/54/906793554.db2.gz ALPJQOQCAYKAAB-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419740914 906798245 /nfs/dbraw/zinc/79/82/45/906798245.db2.gz NNXFKUKNHAULNM-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419740914 906798257 /nfs/dbraw/zinc/79/82/57/906798257.db2.gz NNXFKUKNHAULNM-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419800692 906819869 /nfs/dbraw/zinc/81/98/69/906819869.db2.gz RZRGOFZQHNVHCA-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419800692 906819881 /nfs/dbraw/zinc/81/98/81/906819881.db2.gz RZRGOFZQHNVHCA-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)N(C)C ZINC001419947841 906870230 /nfs/dbraw/zinc/87/02/30/906870230.db2.gz UCMCBCPFFGYMAB-DGCLKSJQSA-N 1 3 286.420 -0.212 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001419969279 906881809 /nfs/dbraw/zinc/88/18/09/906881809.db2.gz VPIKVQFTMAOKRA-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420010507 906895911 /nfs/dbraw/zinc/89/59/11/906895911.db2.gz IDSNOHISBMRZLL-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH+]1CCC(OCC(=O)N2CC(N[C@H]3CCOC3)C2)CC1 ZINC001420140135 906965362 /nfs/dbraw/zinc/96/53/62/906965362.db2.gz BRRAMBNLKVSFMH-LBPRGKRZSA-N 1 3 297.399 -0.314 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001420142390 906968544 /nfs/dbraw/zinc/96/85/44/906968544.db2.gz QFXGDZPZXOZAJU-VXGBXAGGSA-N 1 3 287.404 -0.428 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1CCCN1C ZINC001420245702 907041999 /nfs/dbraw/zinc/04/19/99/907041999.db2.gz YEGDGKMSKMLYIT-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CN1CCCC1 ZINC001420251307 907051150 /nfs/dbraw/zinc/05/11/50/907051150.db2.gz LQBOTKSFLLWJPW-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420364621 907124580 /nfs/dbraw/zinc/12/45/80/907124580.db2.gz FQQHMIYNEAYYII-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420364621 907124589 /nfs/dbraw/zinc/12/45/89/907124589.db2.gz FQQHMIYNEAYYII-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420457217 907170527 /nfs/dbraw/zinc/17/05/27/907170527.db2.gz IMZRXLWEFGSBRG-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN1CC[C@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001420461260 907175287 /nfs/dbraw/zinc/17/52/87/907175287.db2.gz AZBJCMPOXWTQQY-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001420467521 907175729 /nfs/dbraw/zinc/17/57/29/907175729.db2.gz HWVDFQQKUYJVNP-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001420744550 907290190 /nfs/dbraw/zinc/29/01/90/907290190.db2.gz OZBGINKDVXOCMM-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001421119586 907435510 /nfs/dbraw/zinc/43/55/10/907435510.db2.gz BMLUCYYUCCATHK-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001421124903 907438185 /nfs/dbraw/zinc/43/81/85/907438185.db2.gz KBYYPHYUEPJBTA-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001421124906 907440331 /nfs/dbraw/zinc/44/03/31/907440331.db2.gz KBYYPHYUEPJBTA-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001421356383 907507492 /nfs/dbraw/zinc/50/74/92/907507492.db2.gz ZHBGFFKCDCJYNA-DZGCQCFKSA-N 1 3 299.415 -0.596 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421356383 907507501 /nfs/dbraw/zinc/50/75/01/907507501.db2.gz ZHBGFFKCDCJYNA-DZGCQCFKSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448812 907552754 /nfs/dbraw/zinc/55/27/54/907552754.db2.gz HVTDYXOBHSCCEC-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001421488715 907567594 /nfs/dbraw/zinc/56/75/94/907567594.db2.gz INLUGEGNBPTXBD-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001421488715 907567602 /nfs/dbraw/zinc/56/76/02/907567602.db2.gz INLUGEGNBPTXBD-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001421652344 907603003 /nfs/dbraw/zinc/60/30/03/907603003.db2.gz YIZRFECQSCGKPE-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421932421 907681206 /nfs/dbraw/zinc/68/12/06/907681206.db2.gz SRHLXJCFEZHVNU-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421947626 907688202 /nfs/dbraw/zinc/68/82/02/907688202.db2.gz VFSSHAANCIEVRB-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421947626 907688210 /nfs/dbraw/zinc/68/82/10/907688210.db2.gz VFSSHAANCIEVRB-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421947617 907688360 /nfs/dbraw/zinc/68/83/60/907688360.db2.gz VFSSHAANCIEVRB-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421947617 907688370 /nfs/dbraw/zinc/68/83/70/907688370.db2.gz VFSSHAANCIEVRB-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421985225 907698053 /nfs/dbraw/zinc/69/80/53/907698053.db2.gz DYIRPZGKMVJWIA-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421985225 907698062 /nfs/dbraw/zinc/69/80/62/907698062.db2.gz DYIRPZGKMVJWIA-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001422042408 907706151 /nfs/dbraw/zinc/70/61/51/907706151.db2.gz DOHKWYIIFKCCAY-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001422042408 907706160 /nfs/dbraw/zinc/70/61/60/907706160.db2.gz DOHKWYIIFKCCAY-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)N(C)C ZINC001422159549 907733839 /nfs/dbraw/zinc/73/38/39/907733839.db2.gz FVHNEHDUHAIXNH-AXFHLTTASA-N 1 3 272.393 -0.315 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001422172043 907739164 /nfs/dbraw/zinc/73/91/64/907739164.db2.gz IOWQQFITMPTIFN-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422389282 907838411 /nfs/dbraw/zinc/83/84/11/907838411.db2.gz IHRQVXYTJFSDAK-KOLCDFICSA-N 1 3 284.360 -0.638 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[N@H+](C)CC ZINC001422456654 907867856 /nfs/dbraw/zinc/86/78/56/907867856.db2.gz ZJWCTMPNPVABED-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[N@@H+](C)CC ZINC001422456654 907867872 /nfs/dbraw/zinc/86/78/72/907867872.db2.gz ZJWCTMPNPVABED-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001422494222 907892587 /nfs/dbraw/zinc/89/25/87/907892587.db2.gz JHSOMWHVAMGAEP-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001422494222 907892597 /nfs/dbraw/zinc/89/25/97/907892597.db2.gz JHSOMWHVAMGAEP-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001422583489 907928919 /nfs/dbraw/zinc/92/89/19/907928919.db2.gz VWTULEAHPTUUBD-LLVKDONJSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422592008 907938481 /nfs/dbraw/zinc/93/84/81/907938481.db2.gz UXWKWIXAJOVKPR-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422592008 907938500 /nfs/dbraw/zinc/93/85/00/907938500.db2.gz UXWKWIXAJOVKPR-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001502591612 921372304 /nfs/dbraw/zinc/37/23/04/921372304.db2.gz CLNWNMKOWBCOKY-BXUZGUMPSA-N 1 3 296.371 -0.724 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001422917186 908060361 /nfs/dbraw/zinc/06/03/61/908060361.db2.gz KIQFASNZBIGZTD-SRVKXCTJSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001423046298 908090560 /nfs/dbraw/zinc/09/05/60/908090560.db2.gz ADWKYPHCWKPPRO-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001423046298 908090573 /nfs/dbraw/zinc/09/05/73/908090573.db2.gz ADWKYPHCWKPPRO-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001423080321 908103340 /nfs/dbraw/zinc/10/33/40/908103340.db2.gz SMXFNMXITQRIGT-VXGBXAGGSA-N 1 3 286.420 -0.149 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001423288963 908193565 /nfs/dbraw/zinc/19/35/65/908193565.db2.gz OVCYLLBATXKEQQ-NWDGAFQWSA-N 1 3 296.371 -0.636 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001423339454 908206342 /nfs/dbraw/zinc/20/63/42/908206342.db2.gz IFUCTWSTPUDXPO-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001423339449 908207159 /nfs/dbraw/zinc/20/71/59/908207159.db2.gz IFUCTWSTPUDXPO-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)CC[NH+](C)C ZINC001423464045 908247947 /nfs/dbraw/zinc/24/79/47/908247947.db2.gz DTVUKDDNHDIKTI-AWEZNQCLSA-N 1 3 294.399 -0.058 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)N(C)C ZINC001423484054 908250395 /nfs/dbraw/zinc/25/03/95/908250395.db2.gz NRQQZMOVGBWUDC-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](C)O ZINC001423641221 908300371 /nfs/dbraw/zinc/30/03/71/908300371.db2.gz LAWQJEKCFMELJD-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](C)O ZINC001423641221 908300388 /nfs/dbraw/zinc/30/03/88/908300388.db2.gz LAWQJEKCFMELJD-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001423672827 908301621 /nfs/dbraw/zinc/30/16/21/908301621.db2.gz IXOCASZPCWMWMG-WXRRBKDZSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424408313 908454342 /nfs/dbraw/zinc/45/43/42/908454342.db2.gz IRGSZQSKGHOMLF-UKRRQHHQSA-N 1 3 299.415 -0.736 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001424480583 908464315 /nfs/dbraw/zinc/46/43/15/908464315.db2.gz NMCGXKSSYDDYQN-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793194 908506901 /nfs/dbraw/zinc/50/69/01/908506901.db2.gz SLVOERWMPVKCGI-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001424802390 908508419 /nfs/dbraw/zinc/50/84/19/908508419.db2.gz GYMBSDFVTRWXED-MNOVXSKESA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424815192 908508553 /nfs/dbraw/zinc/50/85/53/908508553.db2.gz DXAZJZYJDVJNRP-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001425353912 908627831 /nfs/dbraw/zinc/62/78/31/908627831.db2.gz DQUXYZWKMYVOGY-QWHCGFSZSA-N 1 3 287.404 -0.476 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N(C)C ZINC001425548234 908672905 /nfs/dbraw/zinc/67/29/05/908672905.db2.gz PODDTMMWVHIQPT-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)N(C)C ZINC001425623641 908682961 /nfs/dbraw/zinc/68/29/61/908682961.db2.gz DPXRCOGNDQWTKW-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)N(C)C ZINC001425623644 908684616 /nfs/dbraw/zinc/68/46/16/908684616.db2.gz DPXRCOGNDQWTKW-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N(C)C ZINC001425656578 908687018 /nfs/dbraw/zinc/68/70/18/908687018.db2.gz OJXZYBLKTANZQO-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N(C)C ZINC001425656578 908687033 /nfs/dbraw/zinc/68/70/33/908687033.db2.gz OJXZYBLKTANZQO-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656578 908687039 /nfs/dbraw/zinc/68/70/39/908687039.db2.gz OJXZYBLKTANZQO-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001425666312 908689076 /nfs/dbraw/zinc/68/90/76/908689076.db2.gz UVFUGVIPJCGSAM-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001425666312 908689088 /nfs/dbraw/zinc/68/90/88/908689088.db2.gz UVFUGVIPJCGSAM-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001425666305 908689706 /nfs/dbraw/zinc/68/97/06/908689706.db2.gz UVFUGVIPJCGSAM-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001425666305 908689714 /nfs/dbraw/zinc/68/97/14/908689714.db2.gz UVFUGVIPJCGSAM-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001425881306 908771602 /nfs/dbraw/zinc/77/16/02/908771602.db2.gz JXMIZYFZWNSJBD-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001425881306 908771614 /nfs/dbraw/zinc/77/16/14/908771614.db2.gz JXMIZYFZWNSJBD-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001425883418 908775923 /nfs/dbraw/zinc/77/59/23/908775923.db2.gz DQEFVMUHIMRXFH-CHWSQXEVSA-N 1 3 298.431 -0.006 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001425917570 908783160 /nfs/dbraw/zinc/78/31/60/908783160.db2.gz ONPLISFYZCBUSY-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001425917570 908783175 /nfs/dbraw/zinc/78/31/75/908783175.db2.gz ONPLISFYZCBUSY-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001425978969 908793111 /nfs/dbraw/zinc/79/31/11/908793111.db2.gz XFRRXNQBMXXDBK-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001426076882 908822991 /nfs/dbraw/zinc/82/29/91/908822991.db2.gz KLUGHLXWQYPZTQ-KBPBESRZSA-N 1 3 299.415 -0.928 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505682590 921468104 /nfs/dbraw/zinc/46/81/04/921468104.db2.gz UIIPPLQSTUWXLE-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001431471191 909477839 /nfs/dbraw/zinc/47/78/39/909477839.db2.gz GTQJGKKWUYQVGH-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001432349112 909610562 /nfs/dbraw/zinc/61/05/62/909610562.db2.gz QPWCHTKWYVGPHZ-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001432349112 909610570 /nfs/dbraw/zinc/61/05/70/909610570.db2.gz QPWCHTKWYVGPHZ-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001434383602 910143886 /nfs/dbraw/zinc/14/38/86/910143886.db2.gz HIXVTMSLGSNQGQ-SWLSCSKDSA-N 1 3 297.399 -0.578 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001434383602 910143898 /nfs/dbraw/zinc/14/38/98/910143898.db2.gz HIXVTMSLGSNQGQ-SWLSCSKDSA-N 1 3 297.399 -0.578 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001436400947 910438779 /nfs/dbraw/zinc/43/87/79/910438779.db2.gz DBBLJZPRCPTCLX-SRVKXCTJSA-N 1 3 284.404 -0.315 20 0 CBADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)CCC1 ZINC001436794917 910489276 /nfs/dbraw/zinc/48/92/76/910489276.db2.gz QHWQSTXHCICEPR-NSHDSACASA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001436923444 910510203 /nfs/dbraw/zinc/51/02/03/910510203.db2.gz DLSVITQEENYJRR-XYPYZODXSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001436977042 910522306 /nfs/dbraw/zinc/52/23/06/910522306.db2.gz QYPHDKYKCCYZPF-FRRDWIJNSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001437244521 910598362 /nfs/dbraw/zinc/59/83/62/910598362.db2.gz YFCGFBVMKFCJHI-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)C(N)=O ZINC001437264733 910603362 /nfs/dbraw/zinc/60/33/62/910603362.db2.gz XETFUZMQYBMMGO-QWRGUYRKSA-N 1 3 272.393 -0.315 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001437289363 910605581 /nfs/dbraw/zinc/60/55/81/910605581.db2.gz IGTHMYHXDPVPAM-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001437290312 910606261 /nfs/dbraw/zinc/60/62/61/910606261.db2.gz HJIAVEYKXACXFT-ZDUSSCGKSA-N 1 3 294.403 -0.191 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437309761 910610981 /nfs/dbraw/zinc/61/09/81/910610981.db2.gz JBMQBVNKMDGZQI-SNVBAGLBSA-N 1 3 279.344 -0.864 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001437836636 910762405 /nfs/dbraw/zinc/76/24/05/910762405.db2.gz BWGMHAZUWMTRAX-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001437842046 910767855 /nfs/dbraw/zinc/76/78/55/910767855.db2.gz IGEUBTUCQKDGHI-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001437845565 910767916 /nfs/dbraw/zinc/76/79/16/910767916.db2.gz LVYNTTVNEHGVTF-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001437858292 910771686 /nfs/dbraw/zinc/77/16/86/910771686.db2.gz OBHZLWUQKXSLCL-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437952041 910786375 /nfs/dbraw/zinc/78/63/75/910786375.db2.gz YYWZOIYQJDZDMF-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437952041 910786389 /nfs/dbraw/zinc/78/63/89/910786389.db2.gz YYWZOIYQJDZDMF-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC ZINC001438349285 910884657 /nfs/dbraw/zinc/88/46/57/910884657.db2.gz SZQXHTLRSHJMSL-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC ZINC001438349285 910884672 /nfs/dbraw/zinc/88/46/72/910884672.db2.gz SZQXHTLRSHJMSL-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001438637603 910941025 /nfs/dbraw/zinc/94/10/25/910941025.db2.gz OZIYIXPGCSIZEV-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001438964555 911021644 /nfs/dbraw/zinc/02/16/44/911021644.db2.gz PDBWCNOVFCDGEL-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001439017464 911054852 /nfs/dbraw/zinc/05/48/52/911054852.db2.gz GBRJYNVOXSVMHV-VXGBXAGGSA-N 1 3 289.420 -0.588 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439083909 911094915 /nfs/dbraw/zinc/09/49/15/911094915.db2.gz MDXAVIVUWANGJZ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439083909 911094934 /nfs/dbraw/zinc/09/49/34/911094934.db2.gz MDXAVIVUWANGJZ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001439121066 911110237 /nfs/dbraw/zinc/11/02/37/911110237.db2.gz VAKQXZNUUIIYIN-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439125657 911111807 /nfs/dbraw/zinc/11/18/07/911111807.db2.gz DJGOLXREFOAODR-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439125657 911111815 /nfs/dbraw/zinc/11/18/15/911111815.db2.gz DJGOLXREFOAODR-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001439155740 911119441 /nfs/dbraw/zinc/11/94/41/911119441.db2.gz XOQPWLUPQLWNAM-WOPDTQHZSA-N 1 3 284.404 -0.348 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439165886 911123515 /nfs/dbraw/zinc/12/35/15/911123515.db2.gz GRUBQMIEPNCSER-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001439223793 911149196 /nfs/dbraw/zinc/14/91/96/911149196.db2.gz DPQKWTTWYDBUSY-GARJFASQSA-N 1 3 270.377 -0.691 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001439251308 911152764 /nfs/dbraw/zinc/15/27/64/911152764.db2.gz DZHRAOPEOOCYBV-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439257282 911153051 /nfs/dbraw/zinc/15/30/51/911153051.db2.gz YYUXKXNTISXRDE-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001506906579 921638439 /nfs/dbraw/zinc/63/84/39/921638439.db2.gz KVSIGGJBEHOAAX-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001439258519 911161795 /nfs/dbraw/zinc/16/17/95/911161795.db2.gz RFWREIURJZCFOP-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439283446 911166501 /nfs/dbraw/zinc/16/65/01/911166501.db2.gz RNYFKLYSMWVLNB-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439283446 911166513 /nfs/dbraw/zinc/16/65/13/911166513.db2.gz RNYFKLYSMWVLNB-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001506906651 921639536 /nfs/dbraw/zinc/63/95/36/921639536.db2.gz MLTPURWLOZYGMZ-HAQNSBGRSA-N 1 3 257.378 -0.197 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460991 911217963 /nfs/dbraw/zinc/21/79/63/911217963.db2.gz ZBHOYYSNTVANRS-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001439460991 911217971 /nfs/dbraw/zinc/21/79/71/911217971.db2.gz ZBHOYYSNTVANRS-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001439460991 911217982 /nfs/dbraw/zinc/21/79/82/911217982.db2.gz ZBHOYYSNTVANRS-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001439492461 911221142 /nfs/dbraw/zinc/22/11/42/911221142.db2.gz DFZQLKZDZKNZEM-CYBMUJFWSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001440315548 911428615 /nfs/dbraw/zinc/42/86/15/911428615.db2.gz FDIIRQDUWSZPSR-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440592809 911480863 /nfs/dbraw/zinc/48/08/63/911480863.db2.gz KAOIZTYEGYDLQB-NWDGAFQWSA-N 1 3 284.404 -0.491 20 0 CBADHO C[NH+](C)CCCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001441246053 911629256 /nfs/dbraw/zinc/62/92/56/911629256.db2.gz LIJGLYPQYHQECY-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001441353622 911652689 /nfs/dbraw/zinc/65/26/89/911652689.db2.gz WCXYZCJORXMZSQ-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001441360933 911653144 /nfs/dbraw/zinc/65/31/44/911653144.db2.gz LAKUWLWGJVRPPJ-ZDUSSCGKSA-N 1 3 294.403 -0.190 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441380954 911658284 /nfs/dbraw/zinc/65/82/84/911658284.db2.gz AQHPDSQLPHIACG-GVXVVHGQSA-N 1 3 296.415 -0.029 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001441436782 911669109 /nfs/dbraw/zinc/66/91/09/911669109.db2.gz HKWWHPGYEKOQAB-HAQNSBGRSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001441532425 911697793 /nfs/dbraw/zinc/69/77/93/911697793.db2.gz FZCGRFURLQVMLR-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581796 911710974 /nfs/dbraw/zinc/71/09/74/911710974.db2.gz BVLMJFNVRVVOEE-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001441661091 911731521 /nfs/dbraw/zinc/73/15/21/911731521.db2.gz SNJHLEQXQBXXEK-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001507161137 921693284 /nfs/dbraw/zinc/69/32/84/921693284.db2.gz ISOGKYNAEJVNKS-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834516 911829634 /nfs/dbraw/zinc/82/96/34/911829634.db2.gz IYALBBHURLGEQC-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841877 911834176 /nfs/dbraw/zinc/83/41/76/911834176.db2.gz RPSUAMFDKVXIGK-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845740 911837074 /nfs/dbraw/zinc/83/70/74/911837074.db2.gz YYGXFXNKXSOQMX-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001441915649 911850199 /nfs/dbraw/zinc/85/01/99/911850199.db2.gz LDNBASLSAFMSAB-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001441943492 911864730 /nfs/dbraw/zinc/86/47/30/911864730.db2.gz SYTSKNAFDGBQSD-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cc1c[nH]cn1 ZINC001442947167 912129888 /nfs/dbraw/zinc/12/98/88/912129888.db2.gz UQJJFXFYUKDXIZ-NSHDSACASA-N 1 3 295.387 -0.133 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443098301 912155897 /nfs/dbraw/zinc/15/58/97/912155897.db2.gz WPHXGISTOXUVMF-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443098301 912155909 /nfs/dbraw/zinc/15/59/09/912155909.db2.gz WPHXGISTOXUVMF-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001443098298 912156622 /nfs/dbraw/zinc/15/66/22/912156622.db2.gz WPHXGISTOXUVMF-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443098298 912156630 /nfs/dbraw/zinc/15/66/30/912156630.db2.gz WPHXGISTOXUVMF-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443098302 912158276 /nfs/dbraw/zinc/15/82/76/912158276.db2.gz WPHXGISTOXUVMF-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443098302 912158289 /nfs/dbraw/zinc/15/82/89/912158289.db2.gz WPHXGISTOXUVMF-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472084034 915692337 /nfs/dbraw/zinc/69/23/37/915692337.db2.gz XZGVEUQBRKAQTQ-CMPLNLGQSA-N 1 3 253.346 -0.330 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001507298096 921804724 /nfs/dbraw/zinc/80/47/24/921804724.db2.gz PIDPGKPXOXRUIG-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)CCn1cncn1 ZINC001479762357 916165148 /nfs/dbraw/zinc/16/51/48/916165148.db2.gz NTTFLNDFGPHNTM-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CCn1cncn1 ZINC001479762357 916165150 /nfs/dbraw/zinc/16/51/50/916165150.db2.gz NTTFLNDFGPHNTM-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001479909746 916208192 /nfs/dbraw/zinc/20/81/92/916208192.db2.gz NMWTUUKBCCUYAS-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001479909745 916209318 /nfs/dbraw/zinc/20/93/18/916209318.db2.gz NMWTUUKBCCUYAS-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001480029014 916268984 /nfs/dbraw/zinc/26/89/84/916268984.db2.gz ZEHCIJVUKNPVGT-ZDUSSCGKSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001480117670 916294374 /nfs/dbraw/zinc/29/43/74/916294374.db2.gz RQGIZGPYLNETLX-SRVKXCTJSA-N 1 3 284.404 -0.348 20 0 CBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480156581 916312545 /nfs/dbraw/zinc/31/25/45/916312545.db2.gz NRORHJUAMVFOBN-HAQNSBGRSA-N 1 3 294.403 -0.014 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001480157164 916313024 /nfs/dbraw/zinc/31/30/24/916313024.db2.gz ISGHPUONYKMUOD-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001480460871 916428143 /nfs/dbraw/zinc/42/81/43/916428143.db2.gz XZMPSCDYSZHWGN-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001480460871 916428153 /nfs/dbraw/zinc/42/81/53/916428153.db2.gz XZMPSCDYSZHWGN-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001480475996 916430810 /nfs/dbraw/zinc/43/08/10/916430810.db2.gz VRGTXKRMKWBERX-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480478482 916431470 /nfs/dbraw/zinc/43/14/70/916431470.db2.gz ZFMBAHVHFIQFPU-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480478480 916432288 /nfs/dbraw/zinc/43/22/88/916432288.db2.gz ZFMBAHVHFIQFPU-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C ZINC001480575445 916479719 /nfs/dbraw/zinc/47/97/19/916479719.db2.gz SEKBLBIDPKQDOX-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571558 916479958 /nfs/dbraw/zinc/47/99/58/916479958.db2.gz INXUFLMYFLYNLD-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571558 916479969 /nfs/dbraw/zinc/47/99/69/916479969.db2.gz INXUFLMYFLYNLD-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590824 916488618 /nfs/dbraw/zinc/48/86/18/916488618.db2.gz VNCDLSBHRXHIPJ-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480590824 916488626 /nfs/dbraw/zinc/48/86/26/916488626.db2.gz VNCDLSBHRXHIPJ-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001480638910 916506796 /nfs/dbraw/zinc/50/67/96/916506796.db2.gz XLOKUSFEHNSMCN-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001480680753 916516644 /nfs/dbraw/zinc/51/66/44/916516644.db2.gz YAPIMZPRZZFTQV-KBPBESRZSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[C@H](C(=O)NCC[N@@H+](CCO)C1CC1)N(C)C ZINC001481193879 916748244 /nfs/dbraw/zinc/74/82/44/916748244.db2.gz LVDRROOTNKSZOC-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H](C(=O)NCC[N@H+](CCO)C1CC1)N(C)C ZINC001481193879 916748234 /nfs/dbraw/zinc/74/82/34/916748234.db2.gz LVDRROOTNKSZOC-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481277715 916801420 /nfs/dbraw/zinc/80/14/20/916801420.db2.gz VFSCNBSIDFDKIH-CYBMUJFWSA-N 1 3 286.420 -0.243 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001481279742 916806036 /nfs/dbraw/zinc/80/60/36/916806036.db2.gz KGASXUAAZXESPP-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314677 916817620 /nfs/dbraw/zinc/81/76/20/916817620.db2.gz JWIIVPQJYFEZNS-RYUDHWBXSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314677 916817633 /nfs/dbraw/zinc/81/76/33/916817633.db2.gz JWIIVPQJYFEZNS-RYUDHWBXSA-N 1 3 282.388 -0.783 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCC(N)=O ZINC001481816504 916995266 /nfs/dbraw/zinc/99/52/66/916995266.db2.gz MGPHDLSIVOGONT-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCC(N)=O ZINC001481816504 916995275 /nfs/dbraw/zinc/99/52/75/916995275.db2.gz MGPHDLSIVOGONT-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482295676 917116940 /nfs/dbraw/zinc/11/69/40/917116940.db2.gz DTNMQBLJVOVYTE-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482295676 917116951 /nfs/dbraw/zinc/11/69/51/917116951.db2.gz DTNMQBLJVOVYTE-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482322232 917124516 /nfs/dbraw/zinc/12/45/16/917124516.db2.gz AHDXTUNTXXFDGB-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394198 917143923 /nfs/dbraw/zinc/14/39/23/917143923.db2.gz OIFFHKZBNUHXAE-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CCF)C1CCC1 ZINC001482737301 917244484 /nfs/dbraw/zinc/24/44/84/917244484.db2.gz JQHMIWPGRQMYTA-NSHDSACASA-N 1 3 261.341 -0.493 20 0 CBADHO CC(C)(C(=O)NC[C@H](O)CNCCF)[NH+]1CCCC1 ZINC001482755036 917252283 /nfs/dbraw/zinc/25/22/83/917252283.db2.gz AVABIJHCMYEJAT-LLVKDONJSA-N 1 3 275.368 -0.103 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C12CC[NH+](CC1)C2 ZINC001482963102 917349655 /nfs/dbraw/zinc/34/96/55/917349655.db2.gz FVVSNGMREKTMJY-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083621 917405143 /nfs/dbraw/zinc/40/51/43/917405143.db2.gz NBGLSTFKTVMHCI-PCAWENJQSA-N 1 3 294.399 -0.521 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483129454 917429672 /nfs/dbraw/zinc/42/96/72/917429672.db2.gz ZBORGTHJQNJRQI-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483129454 917429681 /nfs/dbraw/zinc/42/96/81/917429681.db2.gz ZBORGTHJQNJRQI-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001483241086 917486710 /nfs/dbraw/zinc/48/67/10/917486710.db2.gz XWAAEVPJCAMZKB-HBNTYKKESA-N 1 3 272.393 -0.315 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001483296268 917511879 /nfs/dbraw/zinc/51/18/79/917511879.db2.gz CBXLYCNDINYBCP-LBPRGKRZSA-N 1 3 282.392 -0.287 20 0 CBADHO C[C@@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603483 917603033 /nfs/dbraw/zinc/60/30/33/917603033.db2.gz ZUNXCXKHFMNLEF-PWSUYJOCSA-N 1 3 294.399 -0.560 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001483947269 917711560 /nfs/dbraw/zinc/71/15/60/917711560.db2.gz XGCHQRGEQNRWMR-PWSUYJOCSA-N 1 3 266.345 -0.086 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001483958141 917717017 /nfs/dbraw/zinc/71/70/17/917717017.db2.gz GFJLTMJLJGHBMR-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001484902001 917963101 /nfs/dbraw/zinc/96/31/01/917963101.db2.gz NACXGQCKWLEJHR-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001484902001 917963105 /nfs/dbraw/zinc/96/31/05/917963105.db2.gz NACXGQCKWLEJHR-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H](CNCC(N)=O)C1CC1 ZINC001485822042 918195517 /nfs/dbraw/zinc/19/55/17/918195517.db2.gz CXAUNOVEQMHKTG-CYBMUJFWSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001485881290 918216477 /nfs/dbraw/zinc/21/64/77/918216477.db2.gz FGZMIMIBSCKCLO-MNOVXSKESA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001485921034 918228631 /nfs/dbraw/zinc/22/86/31/918228631.db2.gz XUCFVHDMXLAJNE-WDEREUQCSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001485956115 918238603 /nfs/dbraw/zinc/23/86/03/918238603.db2.gz UAZBTLHFXLGKQV-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203615 918381704 /nfs/dbraw/zinc/38/17/04/918381704.db2.gz ZVYKPWOEWSIDGA-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001486240011 918390148 /nfs/dbraw/zinc/39/01/48/918390148.db2.gz HTQQLDJNGKTFIX-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001489301647 918808704 /nfs/dbraw/zinc/80/87/04/918808704.db2.gz TWBKPHGYVBXQEA-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001489301647 918808713 /nfs/dbraw/zinc/80/87/13/918808713.db2.gz TWBKPHGYVBXQEA-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358244 918898251 /nfs/dbraw/zinc/89/82/51/918898251.db2.gz WXCWTSSOKDJBHL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358244 918898269 /nfs/dbraw/zinc/89/82/69/918898269.db2.gz WXCWTSSOKDJBHL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO NC(=O)CN[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663998 918955593 /nfs/dbraw/zinc/95/55/93/918955593.db2.gz BVXYPHIUFHUOQO-STQMWFEESA-N 1 3 294.399 -0.702 20 0 CBADHO NC(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490728532 918965007 /nfs/dbraw/zinc/96/50/07/918965007.db2.gz OGNZDCZMHOBOHX-LLVKDONJSA-N 1 3 280.372 -0.948 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001490903487 918988849 /nfs/dbraw/zinc/98/88/49/918988849.db2.gz NADHLFKERHTFIV-IJLUTSLNSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001491460337 919168897 /nfs/dbraw/zinc/16/88/97/919168897.db2.gz BXAJFNNZKCTICG-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)CC[N@H+]1C ZINC001491460337 919168907 /nfs/dbraw/zinc/16/89/07/919168907.db2.gz BXAJFNNZKCTICG-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(N)=O ZINC001491565771 919209110 /nfs/dbraw/zinc/20/91/10/919209110.db2.gz QBMSCJVUZOJGIA-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCO ZINC001491580963 919216371 /nfs/dbraw/zinc/21/63/71/919216371.db2.gz YBDUGJXLOVHMRL-RYUDHWBXSA-N 1 3 257.378 -0.195 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491651457 919243497 /nfs/dbraw/zinc/24/34/97/919243497.db2.gz XBCCBWSKCATBIH-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001491855843 919291386 /nfs/dbraw/zinc/29/13/86/919291386.db2.gz IIKFHBXMTMATPX-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876726 919295561 /nfs/dbraw/zinc/29/55/61/919295561.db2.gz IDAZERCKLGXPTF-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCCO)C1 ZINC001492420994 919412739 /nfs/dbraw/zinc/41/27/39/919412739.db2.gz FUCWXBIKXRXSNF-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCCO)C1 ZINC001492420994 919412750 /nfs/dbraw/zinc/41/27/50/919412750.db2.gz FUCWXBIKXRXSNF-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001493235661 919510619 /nfs/dbraw/zinc/51/06/19/919510619.db2.gz XELLTGPBQUAROO-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550844 919576993 /nfs/dbraw/zinc/57/69/93/919576993.db2.gz JZOIVJFYAODDNQ-YNEHKIRRSA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001493550844 919577002 /nfs/dbraw/zinc/57/70/02/919577002.db2.gz JZOIVJFYAODDNQ-YNEHKIRRSA-N 1 3 298.431 -0.149 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001493550827 919579232 /nfs/dbraw/zinc/57/92/32/919579232.db2.gz JWRSVQWRBDVBMP-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(N)=O)CC[N@H+]1C ZINC001493550827 919579240 /nfs/dbraw/zinc/57/92/40/919579240.db2.gz JWRSVQWRBDVBMP-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001493578332 919585418 /nfs/dbraw/zinc/58/54/18/919585418.db2.gz IHNCASGZFPLXCZ-GFCCVEGCSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CCNCC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493584125 919586873 /nfs/dbraw/zinc/58/68/73/919586873.db2.gz KNXJOUQPTUZJPB-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CN(CCNCC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493584125 919586886 /nfs/dbraw/zinc/58/68/86/919586886.db2.gz KNXJOUQPTUZJPB-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001493770037 919620948 /nfs/dbraw/zinc/62/09/48/919620948.db2.gz XSBBCNPXRMMZTE-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(CC[NH2+]CCn1cncn1)C(=O)CN1CCCC1 ZINC001493793980 919622192 /nfs/dbraw/zinc/62/21/92/919622192.db2.gz QEPMUUQTICUHFV-UHFFFAOYSA-N 1 3 280.376 -0.578 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC ZINC001494981756 919832988 /nfs/dbraw/zinc/83/29/88/919832988.db2.gz SOVTUGDQZOTNRO-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)NC ZINC001495049456 919852191 /nfs/dbraw/zinc/85/21/91/919852191.db2.gz JEMAMHXIKAFXOX-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC ZINC001495049455 919853487 /nfs/dbraw/zinc/85/34/87/919853487.db2.gz JEMAMHXIKAFXOX-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001495592011 919905167 /nfs/dbraw/zinc/90/51/67/919905167.db2.gz ZKRKZBMGFWJPOH-CQSZACIVSA-N 1 3 299.415 -0.328 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496143688 920032289 /nfs/dbraw/zinc/03/22/89/920032289.db2.gz DZIBDYXICGCWHW-TUAOUCFPSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496143688 920032302 /nfs/dbraw/zinc/03/23/02/920032302.db2.gz DZIBDYXICGCWHW-TUAOUCFPSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146183 920036375 /nfs/dbraw/zinc/03/63/75/920036375.db2.gz XUTQBYZRTYBZGM-QWRGUYRKSA-N 1 3 284.404 -0.362 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001496208043 920041590 /nfs/dbraw/zinc/04/15/90/920041590.db2.gz BISSIHYEAJJOFG-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCN1C ZINC001497362762 920294979 /nfs/dbraw/zinc/29/49/79/920294979.db2.gz UEWPZWMBGNRGSW-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001497836471 920407816 /nfs/dbraw/zinc/40/78/16/920407816.db2.gz YGDMAIDXUCTYJL-OUAUKWLOSA-N 1 3 272.393 -0.445 20 0 CBADHO C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+](C)C ZINC001497895299 920417912 /nfs/dbraw/zinc/41/79/12/920417912.db2.gz OFJHNOCPPXPGDE-MNOVXSKESA-N 1 3 298.387 -0.772 20 0 CBADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983295 920433684 /nfs/dbraw/zinc/43/36/84/920433684.db2.gz ACVPTKXUSDSCAU-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983295 920433693 /nfs/dbraw/zinc/43/36/93/920433693.db2.gz ACVPTKXUSDSCAU-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)NC)C1 ZINC001498099564 920479181 /nfs/dbraw/zinc/47/91/81/920479181.db2.gz MDODZLYIABPXAZ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)NC)C1 ZINC001498099564 920479187 /nfs/dbraw/zinc/47/91/87/920479187.db2.gz MDODZLYIABPXAZ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498106848 920481351 /nfs/dbraw/zinc/48/13/51/920481351.db2.gz XNMSQETVPUNUMF-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920373 920785951 /nfs/dbraw/zinc/78/59/51/920785951.db2.gz CMZHHNAMGLFWCJ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001500767277 920876625 /nfs/dbraw/zinc/87/66/25/920876625.db2.gz YKPAZYWPOQOHIB-CQSZACIVSA-N 1 3 287.404 -0.738 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001500767277 920876640 /nfs/dbraw/zinc/87/66/40/920876640.db2.gz YKPAZYWPOQOHIB-CQSZACIVSA-N 1 3 287.404 -0.738 20 0 CBADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648372 921051223 /nfs/dbraw/zinc/05/12/23/921051223.db2.gz XZWGPVAEQBYISU-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001507484493 921846371 /nfs/dbraw/zinc/84/63/71/921846371.db2.gz DMAOWYNVOLUBJW-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+](C)C ZINC001507543265 921865004 /nfs/dbraw/zinc/86/50/04/921865004.db2.gz RLBXNCWTSXFYJN-RYUDHWBXSA-N 1 3 277.384 -0.049 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001508028373 921904782 /nfs/dbraw/zinc/90/47/82/921904782.db2.gz BJYZNJBTYSWEBN-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001508028373 921904790 /nfs/dbraw/zinc/90/47/90/921904790.db2.gz BJYZNJBTYSWEBN-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO C[C@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001508112154 921914255 /nfs/dbraw/zinc/91/42/55/921914255.db2.gz CICFYWDHURDMGJ-UNXYVOJBSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001515318445 922231275 /nfs/dbraw/zinc/23/12/75/922231275.db2.gz LSZNZNBAMPLOTM-SDDRHHMPSA-N 1 3 255.362 -0.219 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001515319700 922232545 /nfs/dbraw/zinc/23/25/45/922232545.db2.gz XLVFXGKPVHQWRV-ZDEQEGDKSA-N 1 3 267.373 -0.219 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)CNCC[NH3+])C[C@@H](C)O1 ZINC001521445651 922355474 /nfs/dbraw/zinc/35/54/74/922355474.db2.gz IBRNLFYOZIRKFZ-CHWSQXEVSA-N 1 3 286.420 -0.460 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001521495828 922361431 /nfs/dbraw/zinc/36/14/31/922361431.db2.gz LYRBJVJZPKVQKK-QWHCGFSZSA-N 1 3 268.405 -0.310 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001521495828 922361441 /nfs/dbraw/zinc/36/14/41/922361441.db2.gz LYRBJVJZPKVQKK-QWHCGFSZSA-N 1 3 268.405 -0.310 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001521495829 922362381 /nfs/dbraw/zinc/36/23/81/922362381.db2.gz LYRBJVJZPKVQKK-STQMWFEESA-N 1 3 268.405 -0.310 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001521495829 922362395 /nfs/dbraw/zinc/36/23/95/922362395.db2.gz LYRBJVJZPKVQKK-STQMWFEESA-N 1 3 268.405 -0.310 20 0 CBADHO C[NH2+]CCN(C)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001521513333 922366069 /nfs/dbraw/zinc/36/60/69/922366069.db2.gz TYNYNXYKYJPFLD-VIFPVBQESA-N 1 3 251.334 -0.032 20 0 CBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CNCCN1C ZINC001522668025 922502866 /nfs/dbraw/zinc/50/28/66/922502866.db2.gz QVHSDFPRVYBSGQ-RYUDHWBXSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@@H]1NC[C@H](C)N(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1C ZINC001522823508 922527573 /nfs/dbraw/zinc/52/75/73/922527573.db2.gz CBGDADFNWLDHMJ-FIQHERPVSA-N 1 3 256.394 -0.137 20 0 CBADHO [NH3+][C@@H]1C[C@H](NC(=O)C[C@@H]2CNCCO2)C12CCC2 ZINC001523605993 922599802 /nfs/dbraw/zinc/59/98/02/922599802.db2.gz RBHSKUPAUMTDBF-MXWKQRLJSA-N 1 3 253.346 -0.249 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001548552956 923374916 /nfs/dbraw/zinc/37/49/16/923374916.db2.gz MUORIWJCKATMGD-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001548554608 923374995 /nfs/dbraw/zinc/37/49/95/923374995.db2.gz CMCWEWLWFVMCPQ-CYBMUJFWSA-N 1 3 278.356 -0.134 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001548552955 923376862 /nfs/dbraw/zinc/37/68/62/923376862.db2.gz MUORIWJCKATMGD-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO CN1CCNC[C@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001548555171 923378488 /nfs/dbraw/zinc/37/84/88/923378488.db2.gz KNXZWZIFJBQOCT-FZMZJTMJSA-N 1 3 289.383 -0.260 20 0 CBADHO CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001548558685 923382007 /nfs/dbraw/zinc/38/20/07/923382007.db2.gz PRPJMUOSCXEWEV-LSDHHAIUSA-N 1 3 288.395 -0.107 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001548558696 923382971 /nfs/dbraw/zinc/38/29/71/923382971.db2.gz ZECWCNNHFXKKTR-CYBMUJFWSA-N 1 3 280.416 -0.118 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC001548558264 923383165 /nfs/dbraw/zinc/38/31/65/923383165.db2.gz OCQIKHKMJRTMKQ-VXGBXAGGSA-N 1 3 268.405 -0.216 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCC[C@H]1CSCC[NH2+]1 ZINC001548562492 923387244 /nfs/dbraw/zinc/38/72/44/923387244.db2.gz DOWOPSUVEUNKSW-WDEREUQCSA-N 1 3 273.402 -0.424 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001548568446 923391398 /nfs/dbraw/zinc/39/13/98/923391398.db2.gz GZHHDBXAINSLGI-FRRDWIJNSA-N 1 3 279.384 -0.131 20 0 CBADHO NC1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)Cc2ccccc2C1 ZINC001548569672 923391890 /nfs/dbraw/zinc/39/18/90/923391890.db2.gz QUYFUPNQJPIJNK-CYBMUJFWSA-N 1 3 287.363 -0.270 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548570191 923393154 /nfs/dbraw/zinc/39/31/54/923393154.db2.gz TYMWCPJOJHJOMF-STQMWFEESA-N 1 3 275.352 -0.197 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001548573555 923397838 /nfs/dbraw/zinc/39/78/38/923397838.db2.gz HOEGSKNOLDGGBR-ZNMIVQPWSA-N 1 3 288.395 -0.238 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC001548575306 923399470 /nfs/dbraw/zinc/39/94/70/923399470.db2.gz AWLWLCJZHONIFS-OCCSQVGLSA-N 1 3 277.368 -0.088 20 0 CBADHO CC1(C)CN(C(=O)CC2([NH3+])CC2)CC2(CNC2)O1 ZINC001548575943 923400986 /nfs/dbraw/zinc/40/09/86/923400986.db2.gz KOKKPMZPXJXNRA-UHFFFAOYSA-N 1 3 253.346 -0.153 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC2(CNC2)O1 ZINC001548580103 923402995 /nfs/dbraw/zinc/40/29/95/923402995.db2.gz VVCFETATWABOEC-RISCZKNCSA-N 1 3 279.384 -0.035 20 0 CBADHO CC1(C)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC2(CNC2)O1 ZINC001548576535 923403164 /nfs/dbraw/zinc/40/31/64/923403164.db2.gz RATPJSFGHZNRRQ-CQSZACIVSA-N 1 3 297.399 -0.530 20 0 CBADHO CC1(C)CN(C(=O)COC2CC[NH2+]CC2)CC2(CNC2)O1 ZINC001548580409 923404433 /nfs/dbraw/zinc/40/44/33/923404433.db2.gz XCRBBIYCGDWXOL-UHFFFAOYSA-N 1 3 297.399 -0.266 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583905 923407143 /nfs/dbraw/zinc/40/71/43/923407143.db2.gz FOGPWKRDCDHRIT-NWDGAFQWSA-N 1 3 296.415 -0.408 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001548703596 923462437 /nfs/dbraw/zinc/46/24/37/923462437.db2.gz GAGZYRKEFUKYEG-RDBSUJKOSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001548703596 923462447 /nfs/dbraw/zinc/46/24/47/923462447.db2.gz GAGZYRKEFUKYEG-RDBSUJKOSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001548703589 923466609 /nfs/dbraw/zinc/46/66/09/923466609.db2.gz GAGZYRKEFUKYEG-IHRRRGAJSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001548703589 923466616 /nfs/dbraw/zinc/46/66/16/923466616.db2.gz GAGZYRKEFUKYEG-IHRRRGAJSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)N1C ZINC001548711150 923471520 /nfs/dbraw/zinc/47/15/20/923471520.db2.gz SZNIFCNOOCJBAR-CRWXNKLISA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)N1C ZINC001548711150 923471537 /nfs/dbraw/zinc/47/15/37/923471537.db2.gz SZNIFCNOOCJBAR-CRWXNKLISA-N 1 3 280.416 -0.074 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047135 923542488 /nfs/dbraw/zinc/54/24/88/923542488.db2.gz KXPALBGCJDHOAN-ZYHUDNBSSA-N 1 3 280.376 -0.244 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)C3CC([NH3+])C3)C2)nn1 ZINC001549046835 923542567 /nfs/dbraw/zinc/54/25/67/923542567.db2.gz AOWHZXPLEPZEJO-CBINBANVSA-N 1 3 278.360 -0.362 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549046894 923543559 /nfs/dbraw/zinc/54/35/59/923543559.db2.gz BUZKIEMSSGTBCK-VXGBXAGGSA-N 1 3 280.376 -0.116 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047269 923544864 /nfs/dbraw/zinc/54/48/64/923544864.db2.gz MYSIAAOLKGTHRT-ONGXEEELSA-N 1 3 266.349 -0.362 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@H]2[NH3+])cn1 ZINC001549049070 923546320 /nfs/dbraw/zinc/54/63/20/923546320.db2.gz CEFUBGQKEWZBQF-RWMBFGLXSA-N 1 3 293.371 -0.948 20 0 CBADHO CCN1CCN(CCC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001549075275 923554045 /nfs/dbraw/zinc/55/40/45/923554045.db2.gz QVIIULXRWQXPLA-AWEZNQCLSA-N 1 3 298.431 -0.410 20 0 CBADHO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCN(C)C1 ZINC001549211093 923571401 /nfs/dbraw/zinc/57/14/01/923571401.db2.gz TYTYDBMYBDJQGU-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549614151 923619128 /nfs/dbraw/zinc/61/91/28/923619128.db2.gz FYUONHYHKPMQRB-JHJVBQTASA-N 1 3 294.399 -0.269 20 0 CBADHO CCC[C@H](N)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728919 923632212 /nfs/dbraw/zinc/63/22/12/923632212.db2.gz TZLKOBGIHPMFCW-SGMGOOAPSA-N 1 3 296.415 -0.123 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001549900178 923646622 /nfs/dbraw/zinc/64/66/22/923646622.db2.gz XKFOCJIYTBTERW-WCQYABFASA-N 1 3 298.431 -0.020 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084679 923669372 /nfs/dbraw/zinc/66/93/72/923669372.db2.gz KCNRHIKJYZSBCF-NEPJUHHUSA-N 1 3 267.373 -0.129 20 0 CBADHO CC[C@H](N)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087458 923673350 /nfs/dbraw/zinc/67/33/50/923673350.db2.gz VDCVWGGISFVEHK-UWVGGRQHSA-N 1 3 252.322 -0.834 20 0 CBADHO C[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550096573 923678538 /nfs/dbraw/zinc/67/85/38/923678538.db2.gz LISYPGKNFMCJFW-RTXFEEFZSA-N 1 3 292.387 -0.150 20 0 CBADHO C[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550096573 923678542 /nfs/dbraw/zinc/67/85/42/923678542.db2.gz LISYPGKNFMCJFW-RTXFEEFZSA-N 1 3 292.387 -0.150 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097232 923681444 /nfs/dbraw/zinc/68/14/44/923681444.db2.gz FAOBSNYMPRVNJN-PWSUYJOCSA-N 1 3 278.360 -0.348 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096993 923681553 /nfs/dbraw/zinc/68/15/53/923681553.db2.gz WPQGRGZRACTPHA-ADEWGFFLSA-N 1 3 278.360 -0.634 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097460 923681974 /nfs/dbraw/zinc/68/19/74/923681974.db2.gz NAYXEKYKSVJTKX-CMPLNLGQSA-N 1 3 282.323 -0.788 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097464 923682304 /nfs/dbraw/zinc/68/23/04/923682304.db2.gz NAYXEKYKSVJTKX-PWSUYJOCSA-N 1 3 282.323 -0.788 20 0 CBADHO [NH3+]CC12CC(NC(=O)[C@@H]3CN4CCC[C@H]4CO3)(C1)C2 ZINC001550118200 923689707 /nfs/dbraw/zinc/68/97/07/923689707.db2.gz PXRSHIFWEVDWFD-BCVKRFQSSA-N 1 3 265.357 -0.153 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550122402 923693455 /nfs/dbraw/zinc/69/34/55/923693455.db2.gz GDUALWWLFOFSFZ-COMQUAJESA-N 1 3 279.384 -0.083 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001550186585 923707208 /nfs/dbraw/zinc/70/72/08/923707208.db2.gz IMMGPSFNZMWZFZ-WUHRBBMRSA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@H](CN)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001550185901 923707275 /nfs/dbraw/zinc/70/72/75/923707275.db2.gz MDYQQVRFTJTLFY-CQSZACIVSA-N 1 3 299.415 -0.033 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550206559 923709682 /nfs/dbraw/zinc/70/96/82/923709682.db2.gz VLXZCGDSHWLLJW-ZDUSSCGKSA-N 1 3 296.415 -0.170 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[NH3+])CC1 ZINC001550204871 923710607 /nfs/dbraw/zinc/71/06/07/923710607.db2.gz UATYXVKIPQIBLF-VXGBXAGGSA-N 1 3 294.399 -0.334 20 0 CBADHO [NH3+][C@H]1C[C@@H](N2CC[C@H](CN3CCCC3=O)C2)[C@@H](O)C1 ZINC001550437272 923730855 /nfs/dbraw/zinc/73/08/55/923730855.db2.gz VSCCWHRVVNAGJN-RVMXOQNASA-N 1 3 267.373 -0.219 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCNC[C@H](O)C2)C1 ZINC001550748816 923746466 /nfs/dbraw/zinc/74/64/66/923746466.db2.gz VMWPSYNBSGDMSF-RYUDHWBXSA-N 1 3 284.404 -0.260 20 0 CBADHO [NH3+][C@H]1CC12CCC(NC(=O)N1CCNC[C@@H](O)C1)CC2 ZINC001551567656 923805248 /nfs/dbraw/zinc/80/52/48/923805248.db2.gz RWJXHTAWNPQTTH-BEVNXUHPSA-N 1 3 282.388 -0.378 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552159229 923839454 /nfs/dbraw/zinc/83/94/54/923839454.db2.gz VPRNOZYJGDJOOJ-XQQFMLRXSA-N 1 3 267.373 -0.273 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCN1 ZINC001552164432 923845150 /nfs/dbraw/zinc/84/51/50/923845150.db2.gz USEITGLLDXYIDA-NEPJUHHUSA-N 1 3 292.387 -0.118 20 0 CBADHO COC1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201125 923858309 /nfs/dbraw/zinc/85/83/09/923858309.db2.gz RQLLDVWHFHYYRB-IUODEOHRSA-N 1 3 297.399 -0.551 20 0 CBADHO Cc1c(C(=O)N2CC[C@H](F)[C@@H](N)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552440180 923911177 /nfs/dbraw/zinc/91/11/77/923911177.db2.gz RUQQYILKVJEQQD-DCAQKATOSA-N 1 3 296.350 -0.368 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001553013965 923934260 /nfs/dbraw/zinc/93/42/60/923934260.db2.gz FSTIRUVTSPJUHM-NWDGAFQWSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)CCN1 ZINC001553353522 923956553 /nfs/dbraw/zinc/95/65/53/923956553.db2.gz GAPFUADVAKGKSG-BZPMIXESSA-N 1 3 266.389 -0.652 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(C)CC3)C[C@@H](C)N1 ZINC001553358708 923962386 /nfs/dbraw/zinc/96/23/86/923962386.db2.gz PPVYSEVXDXVHBL-CXTNEJHOSA-N 1 3 280.416 -0.264 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C[C@@H](C)N1 ZINC001553358706 923962784 /nfs/dbraw/zinc/96/27/84/923962784.db2.gz PPVYSEVXDXVHBL-BHPKHCPMSA-N 1 3 280.416 -0.264 20 0 CBADHO O=C(NCCN1CCCC1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553405760 923977733 /nfs/dbraw/zinc/97/77/33/923977733.db2.gz GXPYTEVVFXUFEP-GRYCIOLGSA-N 1 3 253.346 -0.282 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553407121 923979508 /nfs/dbraw/zinc/97/95/08/923979508.db2.gz GUHNONVEMYDCFU-WISYIIOYSA-N 1 3 253.346 -0.284 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553407124 923979723 /nfs/dbraw/zinc/97/97/23/923979723.db2.gz GUHNONVEMYDCFU-WYUUTHIRSA-N 1 3 253.346 -0.284 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412122 923987073 /nfs/dbraw/zinc/98/70/73/923987073.db2.gz TWIQDPHNWOKRON-MELADBBJSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C[C@H]21 ZINC001553429563 923996331 /nfs/dbraw/zinc/99/63/31/923996331.db2.gz RARBCKGWHWBMRG-WFQJECDVSA-N 1 3 295.383 -0.971 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553440568 924002316 /nfs/dbraw/zinc/00/23/16/924002316.db2.gz WCELYFATYRVVLJ-KKOKHZNYSA-N 1 3 252.362 -0.073 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553499395 924012477 /nfs/dbraw/zinc/01/24/77/924012477.db2.gz BCHDGNFCFQNKSG-XQQFMLRXSA-N 1 3 284.404 -0.036 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553506310 924017918 /nfs/dbraw/zinc/01/79/18/924017918.db2.gz UVKDATSMVYKMGP-MDZLAQPJSA-N 1 3 268.361 -0.584 20 0 CBADHO [NH3+]C1CC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553559086 924033301 /nfs/dbraw/zinc/03/33/01/924033301.db2.gz UZXUOKBMCMZDSG-TYUFSLCMSA-N 1 3 282.388 -0.283 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573321296 334927659 /nfs/dbraw/zinc/92/76/59/334927659.db2.gz HFFLWIFYYXRNBY-NWDGAFQWSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)CC1=O ZINC000428532391 282101263 /nfs/dbraw/zinc/10/12/63/282101263.db2.gz LWDYNDYCKYMMHJ-OLZOCXBDSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(C)CCNC(=O)C1CC[NH+](CCCO)CC1 ZINC000303397284 230221314 /nfs/dbraw/zinc/22/13/14/230221314.db2.gz INOXTNWNUDRMQE-UHFFFAOYSA-N 1 3 257.378 -0.241 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419895601 282183312 /nfs/dbraw/zinc/18/33/12/282183312.db2.gz MPHBQKXFKPPXJH-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331510897 282196268 /nfs/dbraw/zinc/19/62/68/282196268.db2.gz PNLXSZCRSWBTAU-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000126321599 187232419 /nfs/dbraw/zinc/23/24/19/187232419.db2.gz IAPIHFRWMUVHIV-OCCSQVGLSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000126467975 187242157 /nfs/dbraw/zinc/24/21/57/187242157.db2.gz YEUSJNZYOABPKX-GVXVVHGQSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000126467975 187242158 /nfs/dbraw/zinc/24/21/58/187242158.db2.gz YEUSJNZYOABPKX-GVXVVHGQSA-N 1 3 284.404 -0.315 20 0 CBADHO CO[C@@H](CN)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000573443102 334938202 /nfs/dbraw/zinc/93/82/02/334938202.db2.gz ZMNUQAIKWNFUBY-LBPRGKRZSA-N 1 3 255.362 -0.049 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000332314492 282256997 /nfs/dbraw/zinc/25/69/97/282256997.db2.gz NJPJGENRJJGSKN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351517517 219111873 /nfs/dbraw/zinc/11/18/73/219111873.db2.gz ANKZBBJJYHTVMN-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1CCCCN1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535226 219118269 /nfs/dbraw/zinc/11/82/69/219118269.db2.gz DPBKMQWNIJGLFZ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000351545322 219119948 /nfs/dbraw/zinc/11/99/48/219119948.db2.gz WSHBHHHGCKVNER-OLZOCXBDSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351541006 219120330 /nfs/dbraw/zinc/12/03/30/219120330.db2.gz PAJYJBXDJROKBG-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000351545326 219121359 /nfs/dbraw/zinc/12/13/59/219121359.db2.gz WSHBHHHGCKVNER-STQMWFEESA-N 1 3 294.399 -0.450 20 0 CBADHO CN(CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351556124 219125336 /nfs/dbraw/zinc/12/53/36/219125336.db2.gz NLHFCDPTHQZWSQ-LLVKDONJSA-N 1 3 268.361 -0.935 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573723968 334961189 /nfs/dbraw/zinc/96/11/89/334961189.db2.gz JCRHQOGNYLBGNH-UTUOFQBUSA-N 1 3 284.404 -0.327 20 0 CBADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202591 /nfs/dbraw/zinc/20/25/91/219202591.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202594 /nfs/dbraw/zinc/20/25/94/219202594.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202597 /nfs/dbraw/zinc/20/25/97/219202597.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 1 3 272.389 -0.372 20 0 CBADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351774906 219202598 /nfs/dbraw/zinc/20/25/98/219202598.db2.gz PHAYFZWVNWIYNU-CRWXNKLISA-N 1 3 272.389 -0.372 20 0 CBADHO [NH3+]CCOc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000573805185 334967790 /nfs/dbraw/zinc/96/77/90/334967790.db2.gz ZMDAIDGPQHWFDX-CMPLNLGQSA-N 1 3 265.313 -0.315 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000352003311 219283534 /nfs/dbraw/zinc/28/35/34/219283534.db2.gz LCFQWBFGBLVEKW-DGCLKSJQSA-N 1 3 286.420 -0.082 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000351996820 219282950 /nfs/dbraw/zinc/28/29/50/219282950.db2.gz VRDMTKQJBPDWNT-ZYHUDNBSSA-N 1 3 272.393 -0.425 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000339588733 215261939 /nfs/dbraw/zinc/26/19/39/215261939.db2.gz ZYFCOUATPUPCKQ-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO C[NH+]1CCC(CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000091311229 180132997 /nfs/dbraw/zinc/13/29/97/180132997.db2.gz YWIFSUDNMMVYQL-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668159 180223900 /nfs/dbraw/zinc/22/39/00/180223900.db2.gz BNXRJKWPXBCNNV-WOPDTQHZSA-N 1 3 255.362 -0.051 20 0 CBADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037001342 351395487 /nfs/dbraw/zinc/39/54/87/351395487.db2.gz VHMRMAVFDGKQLB-GRYCIOLGSA-N 1 3 257.378 -0.198 20 0 CBADHO Cn1cc(C[NH2+]C[C@H]2CCCN(C)C2)c(=O)n(C)c1=O ZINC000044534187 351444953 /nfs/dbraw/zinc/44/49/53/351444953.db2.gz BZWOGDAZKCBWBW-LLVKDONJSA-N 1 3 280.372 -0.485 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000040808755 351419466 /nfs/dbraw/zinc/41/94/66/351419466.db2.gz NOASZYJDEWDFEF-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000062973138 351577702 /nfs/dbraw/zinc/57/77/02/351577702.db2.gz UCCNVFLBIYTURG-SDDRHHMPSA-N 1 3 253.346 -0.594 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000062983193 351578387 /nfs/dbraw/zinc/57/83/87/351578387.db2.gz WJYSUBMHXFAHDE-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC000070074106 351634501 /nfs/dbraw/zinc/63/45/01/351634501.db2.gz OVHUPCBPSRTZPZ-LBPRGKRZSA-N 1 3 255.362 -0.094 20 0 CBADHO Cn1c(CN2CCC[C@@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000070170907 351635603 /nfs/dbraw/zinc/63/56/03/351635603.db2.gz ZYLHBGZWVGGJPJ-NSHDSACASA-N 1 3 280.372 -0.355 20 0 CBADHO CN(CCN1CC[NH2+]CC1)CCN1CCOCC1 ZINC000071150688 351643216 /nfs/dbraw/zinc/64/32/16/351643216.db2.gz UEGBTUIEQSOFSZ-UHFFFAOYSA-N 1 3 256.394 -0.844 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(=O)n1C ZINC000118976722 351830123 /nfs/dbraw/zinc/83/01/23/351830123.db2.gz VDACEIDJKVLLRJ-UHFFFAOYSA-N 1 3 294.399 -0.049 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000126277158 351859399 /nfs/dbraw/zinc/85/93/99/351859399.db2.gz FSZDZYYMQVFBCX-YPMHNXCESA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000126277158 351859401 /nfs/dbraw/zinc/85/94/01/351859401.db2.gz FSZDZYYMQVFBCX-YPMHNXCESA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000126231615 351859580 /nfs/dbraw/zinc/85/95/80/351859580.db2.gz JGMPQSXFLLZTFA-JSGCOSHPSA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000126231615 351859584 /nfs/dbraw/zinc/85/95/84/351859584.db2.gz JGMPQSXFLLZTFA-JSGCOSHPSA-N 1 3 298.431 -0.068 20 0 CBADHO C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000121338136 351847735 /nfs/dbraw/zinc/84/77/35/351847735.db2.gz IXXUGDSYGFAKOC-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000130454877 351879177 /nfs/dbraw/zinc/87/91/77/351879177.db2.gz IACHLJUKXVNHCI-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1=O ZINC000128532409 351866453 /nfs/dbraw/zinc/86/64/53/351866453.db2.gz IXEUNOCBILPOIM-YNEHKIRRSA-N 1 3 296.415 -0.217 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000131665465 351887380 /nfs/dbraw/zinc/88/73/80/351887380.db2.gz QAKJSTFDQMJUGH-AWEZNQCLSA-N 1 3 276.384 -0.422 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000132060593 351890689 /nfs/dbraw/zinc/89/06/89/351890689.db2.gz BZVSVOGRNTYCCG-NEPJUHHUSA-N 1 3 282.388 -0.558 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000133655470 351900742 /nfs/dbraw/zinc/90/07/42/351900742.db2.gz JJBRTDRSZWWBGG-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000133718534 351900782 /nfs/dbraw/zinc/90/07/82/351900782.db2.gz LKFPIBSLRYHTCW-GFCCVEGCSA-N 1 3 299.419 -0.565 20 0 CBADHO CN(C)CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000133718534 351900785 /nfs/dbraw/zinc/90/07/85/351900785.db2.gz LKFPIBSLRYHTCW-GFCCVEGCSA-N 1 3 299.419 -0.565 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000133655664 351901126 /nfs/dbraw/zinc/90/11/26/351901126.db2.gz JJBRTDRSZWWBGG-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000163500837 351981435 /nfs/dbraw/zinc/98/14/35/351981435.db2.gz RFMRFMCDPMEALL-OPRDCNLKSA-N 1 3 262.375 -0.137 20 0 CBADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848341 352031094 /nfs/dbraw/zinc/03/10/94/352031094.db2.gz XRRXUZGMWKXNNA-NEPJUHHUSA-N 1 3 294.399 -0.002 20 0 CBADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848341 352031096 /nfs/dbraw/zinc/03/10/96/352031096.db2.gz XRRXUZGMWKXNNA-NEPJUHHUSA-N 1 3 294.399 -0.002 20 0 CBADHO CCC[NH2+]CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188800792 352159402 /nfs/dbraw/zinc/15/94/02/352159402.db2.gz CXVKQIGEMJXJBP-UHFFFAOYSA-N 1 3 251.334 -0.215 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192109256 352196461 /nfs/dbraw/zinc/19/64/61/352196461.db2.gz PMMGSIIXIBVVDX-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000187945747 352143830 /nfs/dbraw/zinc/14/38/30/352143830.db2.gz CRPUFNTYYUQARS-ZMLRMANQSA-N 1 3 255.362 -0.038 20 0 CBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CNCCO2)CC1 ZINC000188123007 352147903 /nfs/dbraw/zinc/14/79/03/352147903.db2.gz GAVLDRLYGRTZGA-CQSZACIVSA-N 1 3 298.431 -0.635 20 0 CBADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CNCCO2)CC1 ZINC000188123007 352147905 /nfs/dbraw/zinc/14/79/05/352147905.db2.gz GAVLDRLYGRTZGA-CQSZACIVSA-N 1 3 298.431 -0.635 20 0 CBADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174317 352239814 /nfs/dbraw/zinc/23/98/14/352239814.db2.gz FFUNUVBLCCJMAZ-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](C(N)=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173822 352239826 /nfs/dbraw/zinc/23/98/26/352239826.db2.gz WSLJATVSUUFUII-ZJUUUORDSA-N 1 3 256.350 -0.963 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236838414 352295460 /nfs/dbraw/zinc/29/54/60/352295460.db2.gz LPMKUIVQAVVJSQ-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC1=O ZINC000237160925 352300720 /nfs/dbraw/zinc/30/07/20/352300720.db2.gz SFQIHRZFYCHIAR-RYUDHWBXSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@](C[NH3+])(NC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000237625814 352308619 /nfs/dbraw/zinc/30/86/19/352308619.db2.gz CQQADWJEPQVYRM-AAEUAGOBSA-N 1 3 255.362 -0.001 20 0 CBADHO CC[C@H]1CN(CCC(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251881986 352376202 /nfs/dbraw/zinc/37/62/02/352376202.db2.gz VGMDWMVLHGDFNZ-VHSXEESVSA-N 1 3 256.350 -0.109 20 0 CBADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000261753174 352395632 /nfs/dbraw/zinc/39/56/32/352395632.db2.gz QFTIBCBKTVMCIW-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000263267837 352441325 /nfs/dbraw/zinc/44/13/25/352441325.db2.gz VYNOHQQJDAWRKG-AAEUAGOBSA-N 1 3 284.404 -0.458 20 0 CBADHO Cn1ccnc(N2CCN(CC3CC[NH2+]CC3)CC2)c1=O ZINC000262315414 352415051 /nfs/dbraw/zinc/41/50/51/352415051.db2.gz ZQYVMUGKNMBYHD-UHFFFAOYSA-N 1 3 291.399 -0.098 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)CC(C)(C)C[NH3+])CC1=O ZINC000262578550 352426640 /nfs/dbraw/zinc/42/66/40/352426640.db2.gz HKKHKEVSZDJIBT-GFCCVEGCSA-N 1 3 298.431 -0.160 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262642228 352429595 /nfs/dbraw/zinc/42/95/95/352429595.db2.gz LMEVKQWRUJXMEB-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]1 ZINC000262892392 352435767 /nfs/dbraw/zinc/43/57/67/352435767.db2.gz OTBLMGYZEPKZEN-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000262079778 352406307 /nfs/dbraw/zinc/40/63/07/352406307.db2.gz KOPFUDPNMUUEIY-NHCYSSNCSA-N 1 3 270.377 -0.705 20 0 CBADHO COC[C@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000311767612 352770112 /nfs/dbraw/zinc/77/01/12/352770112.db2.gz VQPLVQPZDAGIBF-FZMZJTMJSA-N 1 3 267.373 -0.035 20 0 CBADHO CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311769977 352770367 /nfs/dbraw/zinc/77/03/67/352770367.db2.gz XAPVTSTVHSXFGF-MXWKQRLJSA-N 1 3 268.361 -0.238 20 0 CBADHO CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000311761890 352770478 /nfs/dbraw/zinc/77/04/78/352770478.db2.gz VBLGTVZBPMHTOL-LBPRGKRZSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@H]1[NH3+] ZINC000331579231 352925885 /nfs/dbraw/zinc/92/58/85/352925885.db2.gz LJUCQNJLYJSPFR-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331589505 352926194 /nfs/dbraw/zinc/92/61/94/352926194.db2.gz GMPYTXSWRJYKFJ-VXGBXAGGSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@H]1[NH3+] ZINC000332218783 352940464 /nfs/dbraw/zinc/94/04/64/352940464.db2.gz IOHPBSNGTREBFQ-GRYCIOLGSA-N 1 3 280.372 -0.901 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1[NH3+] ZINC000332357069 352946136 /nfs/dbraw/zinc/94/61/36/352946136.db2.gz WVHONLJPHSOCAB-RYUDHWBXSA-N 1 3 282.388 -0.654 20 0 CBADHO C[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332578336 352968408 /nfs/dbraw/zinc/96/84/08/352968408.db2.gz DOTHSFYGKVYILN-ZDUSSCGKSA-N 1 3 294.399 -0.497 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333490475 353001732 /nfs/dbraw/zinc/00/17/32/353001732.db2.gz DFEMGRQAMUUCNL-TUAOUCFPSA-N 1 3 270.377 -0.243 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@H]2N)cn1 ZINC000333634045 353006361 /nfs/dbraw/zinc/00/63/61/353006361.db2.gz WFZQMSKPXZEYDL-FRRDWIJNSA-N 1 3 292.387 -0.392 20 0 CBADHO CN1CC[C@@]2(CC[N@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833576 353062127 /nfs/dbraw/zinc/06/21/27/353062127.db2.gz OQQRXYQRJMHMSC-CQSZACIVSA-N 1 3 280.372 -0.044 20 0 CBADHO CN1CC[C@@]2(CC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833576 353062130 /nfs/dbraw/zinc/06/21/30/353062130.db2.gz OQQRXYQRJMHMSC-CQSZACIVSA-N 1 3 280.372 -0.044 20 0 CBADHO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)CN ZINC000336848849 353064112 /nfs/dbraw/zinc/06/41/12/353064112.db2.gz NLZSUUPIWZYIOJ-NSHDSACASA-N 1 3 291.351 -0.076 20 0 CBADHO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)CN ZINC000336848849 353064115 /nfs/dbraw/zinc/06/41/15/353064115.db2.gz NLZSUUPIWZYIOJ-NSHDSACASA-N 1 3 291.351 -0.076 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[NH+](C)C ZINC000336696414 353048171 /nfs/dbraw/zinc/04/81/71/353048171.db2.gz CWIDJGQDANRELZ-LLVKDONJSA-N 1 3 258.366 -0.846 20 0 CBADHO CN1CCN(CCC[N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000336799444 353055119 /nfs/dbraw/zinc/05/51/19/353055119.db2.gz IOMZGVQXOWWHMO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCN(CCC[N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000336799444 353055121 /nfs/dbraw/zinc/05/51/21/353055121.db2.gz IOMZGVQXOWWHMO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000336805391 353056755 /nfs/dbraw/zinc/05/67/55/353056755.db2.gz YKHRRUBZSFVBOD-CMPLNLGQSA-N 1 3 272.393 -0.458 20 0 CBADHO COC(=O)CNC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152336847 188010678 /nfs/dbraw/zinc/01/06/78/188010678.db2.gz DYQGINHXUUBDBP-LBPRGKRZSA-N 1 3 285.388 -0.061 20 0 CBADHO COC(=O)CNC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152336847 188010680 /nfs/dbraw/zinc/01/06/80/188010680.db2.gz DYQGINHXUUBDBP-LBPRGKRZSA-N 1 3 285.388 -0.061 20 0 CBADHO C[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184891 353154809 /nfs/dbraw/zinc/15/48/09/353154809.db2.gz KNASLZRKJKEMSK-ZJUUUORDSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184891 353154811 /nfs/dbraw/zinc/15/48/11/353154811.db2.gz KNASLZRKJKEMSK-ZJUUUORDSA-N 1 3 256.350 -0.963 20 0 CBADHO CCN1CCN(CCCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000340182951 353155022 /nfs/dbraw/zinc/15/50/22/353155022.db2.gz GSCWUSRGKOXRFZ-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000342766320 353231881 /nfs/dbraw/zinc/23/18/81/353231881.db2.gz UKUMGJHJLFGOJI-SNVBAGLBSA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000342766320 353231883 /nfs/dbraw/zinc/23/18/83/353231883.db2.gz UKUMGJHJLFGOJI-SNVBAGLBSA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000342766804 353231934 /nfs/dbraw/zinc/23/19/34/353231934.db2.gz XNYVNEZAHAXVKZ-MNOVXSKESA-N 1 3 271.361 -0.181 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000342687152 353227283 /nfs/dbraw/zinc/22/72/83/353227283.db2.gz AUULDHMKOQCFMY-MNOVXSKESA-N 1 3 271.361 -0.277 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000342699726 353227983 /nfs/dbraw/zinc/22/79/83/353227983.db2.gz AOJBLRXJZWYOAD-NEPJUHHUSA-N 1 3 282.388 -0.878 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000342715186 353228978 /nfs/dbraw/zinc/22/89/78/353228978.db2.gz CJFSNDAOLVQADP-QWRGUYRKSA-N 1 3 269.345 -0.427 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000342715186 353228981 /nfs/dbraw/zinc/22/89/81/353228981.db2.gz CJFSNDAOLVQADP-QWRGUYRKSA-N 1 3 269.345 -0.427 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000342715187 353229080 /nfs/dbraw/zinc/22/90/80/353229080.db2.gz CJFSNDAOLVQADP-WDEREUQCSA-N 1 3 269.345 -0.427 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000342715187 353229083 /nfs/dbraw/zinc/22/90/83/353229083.db2.gz CJFSNDAOLVQADP-WDEREUQCSA-N 1 3 269.345 -0.427 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342715185 353229197 /nfs/dbraw/zinc/22/91/97/353229197.db2.gz CJFSNDAOLVQADP-MNOVXSKESA-N 1 3 269.345 -0.427 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000342715185 353229199 /nfs/dbraw/zinc/22/91/99/353229199.db2.gz CJFSNDAOLVQADP-MNOVXSKESA-N 1 3 269.345 -0.427 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343485576 353274653 /nfs/dbraw/zinc/27/46/53/353274653.db2.gz RXSLIGMSBSCBTC-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343309119 353266643 /nfs/dbraw/zinc/26/66/43/353266643.db2.gz VYXUCHPKDSZRLK-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343309117 353266966 /nfs/dbraw/zinc/26/69/66/353266966.db2.gz VYXUCHPKDSZRLK-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588987 353280469 /nfs/dbraw/zinc/28/04/69/353280469.db2.gz SGFZSNABGRVCQP-UONOGXRCSA-N 1 3 296.415 -0.787 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588987 353280470 /nfs/dbraw/zinc/28/04/70/353280470.db2.gz SGFZSNABGRVCQP-UONOGXRCSA-N 1 3 296.415 -0.787 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000343592142 353280500 /nfs/dbraw/zinc/28/05/00/353280500.db2.gz KMSCHFWEHRBNEM-QXEWZRGKSA-N 1 3 256.350 -0.966 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000343863184 353295513 /nfs/dbraw/zinc/29/55/13/353295513.db2.gz OTINSDMVTGDCSK-ZJUUUORDSA-N 1 3 257.334 -0.571 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157626 353364604 /nfs/dbraw/zinc/36/46/04/353364604.db2.gz CBZNCLAEZHLLSQ-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000346649004 353388046 /nfs/dbraw/zinc/38/80/46/353388046.db2.gz GIBSPJTZIBINHW-ZJUUUORDSA-N 1 3 266.345 -0.747 20 0 CBADHO O=C(CCOC1CNC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000348989497 353443000 /nfs/dbraw/zinc/44/30/00/353443000.db2.gz JHLDFEKZOZJFIM-NSHDSACASA-N 1 3 253.346 -0.282 20 0 CBADHO CCN1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348989523 353443345 /nfs/dbraw/zinc/44/33/45/353443345.db2.gz JNEIKZARZJBXMB-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H](CNC(=O)CCOC1CNC1)[N@H+](C)C1CC1 ZINC000349030830 353445794 /nfs/dbraw/zinc/44/57/94/353445794.db2.gz SZKZATMUJJOARM-JTQLQIEISA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H](CNC(=O)CCOC1CNC1)[N@@H+](C)C1CC1 ZINC000349030830 353445797 /nfs/dbraw/zinc/44/57/97/353445797.db2.gz SZKZATMUJJOARM-JTQLQIEISA-N 1 3 255.362 -0.036 20 0 CBADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000350152678 353472677 /nfs/dbraw/zinc/47/26/77/353472677.db2.gz ZEDDLBPERULJJY-UHFFFAOYSA-N 1 3 294.399 -0.142 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000351653447 353476575 /nfs/dbraw/zinc/47/65/75/353476575.db2.gz VRQHNKKYLXQYPB-XQQFMLRXSA-N 1 3 269.389 -0.054 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000351653447 353476576 /nfs/dbraw/zinc/47/65/76/353476576.db2.gz VRQHNKKYLXQYPB-XQQFMLRXSA-N 1 3 269.389 -0.054 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354669548 353576960 /nfs/dbraw/zinc/57/69/60/353576960.db2.gz IIAMQWRLEQJDOK-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000355250622 353590459 /nfs/dbraw/zinc/59/04/59/353590459.db2.gz DXFLKHJZILEJSB-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000359299588 353653293 /nfs/dbraw/zinc/65/32/93/353653293.db2.gz GMGQQCLRNDUXJW-BETUJISGSA-N 1 3 292.427 -0.119 20 0 CBADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357903372 353612940 /nfs/dbraw/zinc/61/29/40/353612940.db2.gz GGZBDJHIAUFOTE-KGLIPLIRSA-N 1 3 299.415 -0.285 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448781 353667038 /nfs/dbraw/zinc/66/70/38/353667038.db2.gz SHHKOBDHBUFJHK-UONOGXRCSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448781 353667039 /nfs/dbraw/zinc/66/70/39/353667039.db2.gz SHHKOBDHBUFJHK-UONOGXRCSA-N 1 3 282.432 -0.062 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367045812 353680225 /nfs/dbraw/zinc/68/02/25/353680225.db2.gz PNTSRTXIPJVVNM-ZDUSSCGKSA-N 1 3 284.404 -0.929 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367045812 353680227 /nfs/dbraw/zinc/68/02/27/353680227.db2.gz PNTSRTXIPJVVNM-ZDUSSCGKSA-N 1 3 284.404 -0.929 20 0 CBADHO C[NH+](C)C1(CNC(=O)[C@]2(F)CCNC2)CCOCC1 ZINC000372105303 353710911 /nfs/dbraw/zinc/71/09/11/353710911.db2.gz JOIJKGKXFYFPIS-ZDUSSCGKSA-N 1 3 273.352 -0.085 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1C[NH2+]C1 ZINC000372573129 353719427 /nfs/dbraw/zinc/71/94/27/353719427.db2.gz QVQXLLWRVKNHSR-CWSCBRNRSA-N 1 3 253.346 -0.393 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1C[NH2+]C1 ZINC000372573126 353719770 /nfs/dbraw/zinc/71/97/70/353719770.db2.gz QVQXLLWRVKNHSR-BREBYQMCSA-N 1 3 253.346 -0.393 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000375898840 353769434 /nfs/dbraw/zinc/76/94/34/353769434.db2.gz YHWOPFJODBXKKK-UTUOFQBUSA-N 1 3 275.418 -0.002 20 0 CBADHO CCC[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376156787 353771746 /nfs/dbraw/zinc/77/17/46/353771746.db2.gz OIJPSQKXFRQBPE-VXGBXAGGSA-N 1 3 254.378 -0.380 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000376719507 353775433 /nfs/dbraw/zinc/77/54/33/353775433.db2.gz DFLISQZFGPZJDP-AAEUAGOBSA-N 1 3 273.352 -0.085 20 0 CBADHO COCCNCCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000376817219 353776118 /nfs/dbraw/zinc/77/61/18/353776118.db2.gz ALFAVXAIWLVHLK-ZDUSSCGKSA-N 1 3 273.377 -0.645 20 0 CBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CSCN3)C2)CC1 ZINC000377199301 353777672 /nfs/dbraw/zinc/77/76/72/353777672.db2.gz UGPVRJKFRCTOGM-YPMHNXCESA-N 1 3 298.456 -0.066 20 0 CBADHO CO[C@@]1(CNC[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000381400628 353784277 /nfs/dbraw/zinc/78/42/77/353784277.db2.gz WLMKXOKMXBVQPS-CHWSQXEVSA-N 1 3 258.362 -0.163 20 0 CBADHO CO[C@@]1(CNC[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000381400628 353784278 /nfs/dbraw/zinc/78/42/78/353784278.db2.gz WLMKXOKMXBVQPS-CHWSQXEVSA-N 1 3 258.362 -0.163 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000388891489 353790697 /nfs/dbraw/zinc/79/06/97/353790697.db2.gz FWFWMVPSIDCIQY-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000388891489 353790699 /nfs/dbraw/zinc/79/06/99/353790699.db2.gz FWFWMVPSIDCIQY-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1 ZINC000394339601 353794441 /nfs/dbraw/zinc/79/44/41/353794441.db2.gz FLKJMMGCNXEFHY-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO COCC[NH2+]CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000394149878 353794453 /nfs/dbraw/zinc/79/44/53/353794453.db2.gz SAYYDIHEQGHSJJ-GFCCVEGCSA-N 1 3 255.362 -0.225 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN(C)C ZINC000410813028 353937043 /nfs/dbraw/zinc/93/70/43/353937043.db2.gz VOGUXEBAXCDLES-UHFFFAOYSA-N 1 3 286.420 -0.193 20 0 CBADHO COCCN(C)CCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417091403 353975539 /nfs/dbraw/zinc/97/55/39/353975539.db2.gz JUKFETUKVLFHTB-LLVKDONJSA-N 1 3 260.382 -0.057 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000418424171 353997239 /nfs/dbraw/zinc/99/72/39/353997239.db2.gz GMVDICQPUOXXAU-DGCLKSJQSA-N 1 3 272.393 -0.274 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)N1CCCNCC1 ZINC000417743534 353983089 /nfs/dbraw/zinc/98/30/89/353983089.db2.gz CDKDVZVPMXENHE-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)N1CCCNCC1 ZINC000417743534 353983093 /nfs/dbraw/zinc/98/30/93/353983093.db2.gz CDKDVZVPMXENHE-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NCCN(C)CCCOC ZINC000417760311 353983534 /nfs/dbraw/zinc/98/35/34/353983534.db2.gz XMAGXRMXVWEITR-NSHDSACASA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@H]1[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCN1C ZINC000418002229 353986172 /nfs/dbraw/zinc/98/61/72/353986172.db2.gz MCMWVOVQRZRUAQ-PREPNJAASA-N 1 3 252.362 -0.014 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)NCCOCCN(C)C ZINC000418065230 353987837 /nfs/dbraw/zinc/98/78/37/353987837.db2.gz JNPWFBAIKMCBGN-LLVKDONJSA-N 1 3 260.382 -0.138 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297566 353992003 /nfs/dbraw/zinc/99/20/03/353992003.db2.gz LFBCNIRYFOQAQD-UHFFFAOYSA-N 1 3 283.420 -0.373 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(CCCO)C1 ZINC000418355362 353994696 /nfs/dbraw/zinc/99/46/96/353994696.db2.gz BJHISNWYMNZQRC-OLZOCXBDSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(CCCO)C1 ZINC000418355364 353995065 /nfs/dbraw/zinc/99/50/65/353995065.db2.gz BJHISNWYMNZQRC-STQMWFEESA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCCN1CCO ZINC000418379733 353995664 /nfs/dbraw/zinc/99/56/64/353995664.db2.gz WGNQEGUSKLZOGQ-QWHCGFSZSA-N 1 3 284.404 -0.116 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382981 353996099 /nfs/dbraw/zinc/99/60/99/353996099.db2.gz INNWANVNVIJPLA-LLVKDONJSA-N 1 3 260.382 -0.417 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418391747 353996114 /nfs/dbraw/zinc/99/61/14/353996114.db2.gz YVKRXUVKLQSHRV-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419236853 354040465 /nfs/dbraw/zinc/04/04/65/354040465.db2.gz LDSVUUNOEQPSCK-NSHDSACASA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418511933 354000851 /nfs/dbraw/zinc/00/08/51/354000851.db2.gz KLHRAHZVAPROJV-VXGBXAGGSA-N 1 3 272.393 -0.274 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418575705 354003739 /nfs/dbraw/zinc/00/37/39/354003739.db2.gz XADBDCMIJAJNDN-LBPRGKRZSA-N 1 3 297.403 -0.717 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418677694 354005330 /nfs/dbraw/zinc/00/53/30/354005330.db2.gz VBNULSOAGVSMKG-IGQOVBAYSA-N 1 3 296.415 -0.404 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418781568 354009095 /nfs/dbraw/zinc/00/90/95/354009095.db2.gz CRPFISFTUZMPBD-MELADBBJSA-N 1 3 298.431 -0.012 20 0 CBADHO O=C(NCCNc1ccncc1)NC[C@H]1C[NH2+]CCCO1 ZINC000418803683 354010005 /nfs/dbraw/zinc/01/00/05/354010005.db2.gz YUUQEFNEZULAAG-CYBMUJFWSA-N 1 3 293.371 -0.407 20 0 CBADHO CC(C)(CNC(=O)C(=O)NCCC[NH3+])N1CCCCC1 ZINC000418836437 354011916 /nfs/dbraw/zinc/01/19/16/354011916.db2.gz PTBXAUBIECPBPA-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419007224 354022823 /nfs/dbraw/zinc/02/28/23/354022823.db2.gz UDYHEZVGQSUIST-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419021378 354023596 /nfs/dbraw/zinc/02/35/96/354023596.db2.gz GZWPTELUEWBBJI-XQQFMLRXSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419018912 354023762 /nfs/dbraw/zinc/02/37/62/354023762.db2.gz CVUSIUXPAPZSSG-FVCCEPFGSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419024909 354024252 /nfs/dbraw/zinc/02/42/52/354024252.db2.gz LGUSZYKCAFWJGZ-UPJWGTAASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027305 354025419 /nfs/dbraw/zinc/02/54/19/354025419.db2.gz OMOPDNNSYBJPGW-TUAOUCFPSA-N 1 3 284.404 -0.456 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419033210 354026136 /nfs/dbraw/zinc/02/61/36/354026136.db2.gz YFEPTQHKKQZHIT-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419080738 354027316 /nfs/dbraw/zinc/02/73/16/354027316.db2.gz QFMCJNRPRWOAQE-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419083625 354027542 /nfs/dbraw/zinc/02/75/42/354027542.db2.gz XAPMLILZFDQDSF-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419096064 354028640 /nfs/dbraw/zinc/02/86/40/354028640.db2.gz DEHAZISIVQWGDH-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419109423 354028710 /nfs/dbraw/zinc/02/87/10/354028710.db2.gz RHYINENKLYATCI-CMPLNLGQSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419109429 354028865 /nfs/dbraw/zinc/02/88/65/354028865.db2.gz RHYINENKLYATCI-PWSUYJOCSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419100694 354028973 /nfs/dbraw/zinc/02/89/73/354028973.db2.gz JEJTVSHUFSUVIU-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000419114930 354029910 /nfs/dbraw/zinc/02/99/10/354029910.db2.gz XOKADKDPGYARDW-ZDUSSCGKSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419134653 354030715 /nfs/dbraw/zinc/03/07/15/354030715.db2.gz KMTCXBSKCIEIGJ-MNOVXSKESA-N 1 3 286.420 -0.068 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419279587 354043326 /nfs/dbraw/zinc/04/33/26/354043326.db2.gz CWMADPYKAILPLB-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419279586 354043345 /nfs/dbraw/zinc/04/33/45/354043345.db2.gz CWMADPYKAILPLB-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419147030 354032241 /nfs/dbraw/zinc/03/22/41/354032241.db2.gz IZTBNFLVSXOWPE-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419165021 354034858 /nfs/dbraw/zinc/03/48/58/354034858.db2.gz ZYHFMHXQZABCFQ-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419279006 354043494 /nfs/dbraw/zinc/04/34/94/354043494.db2.gz BVCRSRGAOSRVSP-NSHDSACASA-N 1 3 272.393 -0.455 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419226537 354039014 /nfs/dbraw/zinc/03/90/14/354039014.db2.gz JEMFQOPVMOWROA-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000419581502 354063449 /nfs/dbraw/zinc/06/34/49/354063449.db2.gz IIDNOYPUBZVXRR-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419585681 354064142 /nfs/dbraw/zinc/06/41/42/354064142.db2.gz LXTSSSNJRSPYDJ-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000419593576 354064771 /nfs/dbraw/zinc/06/47/71/354064771.db2.gz SWMMJACYZAIGLS-AAEUAGOBSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419595652 354065006 /nfs/dbraw/zinc/06/50/06/354065006.db2.gz WVWZJIDVAQSXFY-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419660925 354068169 /nfs/dbraw/zinc/06/81/69/354068169.db2.gz DGQMFWGQIFEWOQ-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419692820 354070526 /nfs/dbraw/zinc/07/05/26/354070526.db2.gz HRDGNIYUTXTDGN-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CCNC(=O)C(=O)N(C)CCN)[NH+]1CCCCC1 ZINC000419706221 354071442 /nfs/dbraw/zinc/07/14/42/354071442.db2.gz CIRSBUFIUQUWRA-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CCN ZINC000419768391 354076235 /nfs/dbraw/zinc/07/62/35/354076235.db2.gz UJCIFHYKTYQTOC-UHFFFAOYSA-N 1 3 258.366 -0.748 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CCN ZINC000419768391 354076237 /nfs/dbraw/zinc/07/62/37/354076237.db2.gz UJCIFHYKTYQTOC-UHFFFAOYSA-N 1 3 258.366 -0.748 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419770429 354076679 /nfs/dbraw/zinc/07/66/79/354076679.db2.gz FGPSUHHWHRKDKO-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419785072 354077232 /nfs/dbraw/zinc/07/72/32/354077232.db2.gz YHBMNFHIWDOZPU-NEPJUHHUSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCNCC1 ZINC000419787933 354078412 /nfs/dbraw/zinc/07/84/12/354078412.db2.gz YMKICFNWILSKTB-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813586 354079597 /nfs/dbraw/zinc/07/95/97/354079597.db2.gz GXYLLDKYOKQFQU-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419837546 354082110 /nfs/dbraw/zinc/08/21/10/354082110.db2.gz DCVIHHMPNOTBCD-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838004 354082559 /nfs/dbraw/zinc/08/25/59/354082559.db2.gz DUSYNTNSJNCURI-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC[NH3+])N1CCC[C@H](C)C1 ZINC000419841791 354082851 /nfs/dbraw/zinc/08/28/51/354082851.db2.gz UTZWGXZYMFPOHA-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[NH3+])N1CCC[C@@H](C)C1 ZINC000419839247 354083069 /nfs/dbraw/zinc/08/30/69/354083069.db2.gz QBUYNVNNTKWJDT-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000419847866 354085067 /nfs/dbraw/zinc/08/50/67/354085067.db2.gz SKHCQIZZGSCJLB-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419290430 354044178 /nfs/dbraw/zinc/04/41/78/354044178.db2.gz VNIAZCGFHKZXDX-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419285882 354044378 /nfs/dbraw/zinc/04/43/78/354044378.db2.gz NFVCWQSFTJZGHK-UHFFFAOYSA-N 1 3 272.393 -0.312 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419401340 354050704 /nfs/dbraw/zinc/05/07/04/354050704.db2.gz AVJDNEIDQGXSEQ-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419405971 354051213 /nfs/dbraw/zinc/05/12/13/354051213.db2.gz IGNOZBZRZHWRDK-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419407256 354051707 /nfs/dbraw/zinc/05/17/07/354051707.db2.gz JYGMARUWOYNXPY-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419413073 354052300 /nfs/dbraw/zinc/05/23/00/354052300.db2.gz RKUPAMPAUNDKBV-UHFFFAOYSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419411616 354052408 /nfs/dbraw/zinc/05/24/08/354052408.db2.gz QCMHNKZEZJDWCH-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419426223 354053192 /nfs/dbraw/zinc/05/31/92/354053192.db2.gz QLEUKXZRHFWXLK-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419425255 354053375 /nfs/dbraw/zinc/05/33/75/354053375.db2.gz PBDXXBTYBFXIHS-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419417250 354053841 /nfs/dbraw/zinc/05/38/41/354053841.db2.gz XCMZCOUHIIJMLQ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419521564 354057541 /nfs/dbraw/zinc/05/75/41/354057541.db2.gz KGGXCIAJOXRXDQ-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419522648 354057735 /nfs/dbraw/zinc/05/77/35/354057735.db2.gz MYQUMERBLSMCBD-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419528035 354058115 /nfs/dbraw/zinc/05/81/15/354058115.db2.gz VUDDCPRTFHDCJV-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000419524847 354058773 /nfs/dbraw/zinc/05/87/73/354058773.db2.gz QLEYEAOKRGDFHM-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419881365 354088873 /nfs/dbraw/zinc/08/88/73/354088873.db2.gz WDZPAEURSVEUNH-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000419915231 354093513 /nfs/dbraw/zinc/09/35/13/354093513.db2.gz CXLVEVSNRZCDIX-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000419927453 354094386 /nfs/dbraw/zinc/09/43/86/354094386.db2.gz CSHWODFTCOHOHS-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939060 354094591 /nfs/dbraw/zinc/09/45/91/354094591.db2.gz QNGQRXRSIGNMDT-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944850 354095437 /nfs/dbraw/zinc/09/54/37/354095437.db2.gz BQLHYZHHQPNEJX-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953554 354096170 /nfs/dbraw/zinc/09/61/70/354096170.db2.gz PVXQWFIHTXCIAN-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C ZINC000419957293 354097610 /nfs/dbraw/zinc/09/76/10/354097610.db2.gz OXSHQNNRAHQCLR-NSHDSACASA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419964346 354098262 /nfs/dbraw/zinc/09/82/62/354098262.db2.gz XEVFDVDDEOAKIT-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419994713 354100945 /nfs/dbraw/zinc/10/09/45/354100945.db2.gz HFIVIJLYIKHDRQ-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000420008115 354101855 /nfs/dbraw/zinc/10/18/55/354101855.db2.gz UBVRIBVVPXZVGA-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420013760 354102016 /nfs/dbraw/zinc/10/20/16/354102016.db2.gz JLQMFIKPEVTQCO-NSHDSACASA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420021215 354102881 /nfs/dbraw/zinc/10/28/81/354102881.db2.gz HFIVIJLYIKHDRQ-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420021217 354103304 /nfs/dbraw/zinc/10/33/04/354103304.db2.gz HFIVIJLYIKHDRQ-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN ZINC000420033638 354104213 /nfs/dbraw/zinc/10/42/13/354104213.db2.gz WHGZELUHXIUECA-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420063670 354106138 /nfs/dbraw/zinc/10/61/38/354106138.db2.gz NPKDLZOZJIHUJV-CYBMUJFWSA-N 1 3 298.431 -0.114 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC1 ZINC000420060462 354106264 /nfs/dbraw/zinc/10/62/64/354106264.db2.gz KPEUCVVPQMEHNC-LBPRGKRZSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420063329 354106657 /nfs/dbraw/zinc/10/66/57/354106657.db2.gz NDYXPPYZPPCGFA-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420069965 354107410 /nfs/dbraw/zinc/10/74/10/354107410.db2.gz WGHYVSWLGUTNME-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420069962 354107466 /nfs/dbraw/zinc/10/74/66/354107466.db2.gz WGHYVSWLGUTNME-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2([NH3+])CCC2)CCC1 ZINC000420089858 354108264 /nfs/dbraw/zinc/10/82/64/354108264.db2.gz KPSHYRBAFQAIRA-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000420108592 354109254 /nfs/dbraw/zinc/10/92/54/354109254.db2.gz CRDTZNZHWKEUOA-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000422965689 354158430 /nfs/dbraw/zinc/15/84/30/354158430.db2.gz PKYDFHZXWOFIPJ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CNCCN1C ZINC000423500853 354178813 /nfs/dbraw/zinc/17/88/13/354178813.db2.gz DBCVWDJQUYZWJU-MRVWCRGKSA-N 1 3 252.406 -0.038 20 0 CBADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423670167 354189875 /nfs/dbraw/zinc/18/98/75/354189875.db2.gz LVXLGBYGNKWADQ-UPJWGTAASA-N 1 3 269.389 -0.019 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423712305 354192962 /nfs/dbraw/zinc/19/29/62/354192962.db2.gz CXJTUKMVXUOQRB-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423716686 354194121 /nfs/dbraw/zinc/19/41/21/354194121.db2.gz IVTVVMHUWAXOKF-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1[NH3+] ZINC000423732676 354194901 /nfs/dbraw/zinc/19/49/01/354194901.db2.gz ZNTFJCQTIRHADK-GRYCIOLGSA-N 1 3 282.388 -0.655 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000423729264 354195070 /nfs/dbraw/zinc/19/50/70/354195070.db2.gz UZEBNCUZLCLIOC-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1[NH3+] ZINC000423982622 354206015 /nfs/dbraw/zinc/20/60/15/354206015.db2.gz RTSHTXLXHATBSA-WOPDTQHZSA-N 1 3 282.388 -0.798 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954383 354206313 /nfs/dbraw/zinc/20/63/13/354206313.db2.gz MVKZEYWKJRNSTI-VXGBXAGGSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000423975578 354206331 /nfs/dbraw/zinc/20/63/31/354206331.db2.gz DPNMJFBCIWYNPY-TUAOUCFPSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1[NH3+] ZINC000423982621 354206430 /nfs/dbraw/zinc/20/64/30/354206430.db2.gz RTSHTXLXHATBSA-UTUOFQBUSA-N 1 3 282.388 -0.798 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC1=O ZINC000423941848 354206461 /nfs/dbraw/zinc/20/64/61/354206461.db2.gz DFBAQGFLJYHSNE-STQMWFEESA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639179 354247162 /nfs/dbraw/zinc/24/71/62/354247162.db2.gz DTXXWYOFCDNUQT-BETUJISGSA-N 1 3 268.405 -0.119 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCC[NH+]1CCCC1 ZINC000430823614 354250590 /nfs/dbraw/zinc/25/05/90/354250590.db2.gz UBYSJCBXAZTMLM-LBPRGKRZSA-N 1 3 255.362 -0.033 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COC1CNC1 ZINC000430681679 354250666 /nfs/dbraw/zinc/25/06/66/354250666.db2.gz FLUVYCFKPZHBPN-LLVKDONJSA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)COC1CNC1 ZINC000430681679 354250668 /nfs/dbraw/zinc/25/06/68/354250668.db2.gz FLUVYCFKPZHBPN-LLVKDONJSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@H](CNC(=O)CCC[NH3+])CN1CCN(C)CC1 ZINC000431015149 354251564 /nfs/dbraw/zinc/25/15/64/354251564.db2.gz NIWPSUUBLAJHJG-GFCCVEGCSA-N 1 3 256.394 -0.275 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000431032845 354251803 /nfs/dbraw/zinc/25/18/03/354251803.db2.gz FBWGJPMIAHJGCB-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000431032845 354251805 /nfs/dbraw/zinc/25/18/05/354251805.db2.gz FBWGJPMIAHJGCB-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCOCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436054815 354255918 /nfs/dbraw/zinc/25/59/18/354255918.db2.gz AGBWBEGDLFTJJF-CYBMUJFWSA-N 1 3 287.404 -0.031 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215395 354219006 /nfs/dbraw/zinc/21/90/06/354219006.db2.gz FXOPGUWWSRITMR-FOGDFJRCSA-N 1 3 270.377 -0.528 20 0 CBADHO c1cn([C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)nn1 ZINC000424329507 354222437 /nfs/dbraw/zinc/22/24/37/354222437.db2.gz GPTDYBXYOQDXED-CYBMUJFWSA-N 1 3 264.377 -0.180 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424473566 354225581 /nfs/dbraw/zinc/22/55/81/354225581.db2.gz GYCRDPKONPUACA-GHMZBOCLSA-N 1 3 258.366 -0.209 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447437101 354298442 /nfs/dbraw/zinc/29/84/42/354298442.db2.gz CCPPSVZQXWURNM-OLZOCXBDSA-N 1 3 286.420 -0.508 20 0 CBADHO CCN1CCN(CCCNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447442732 354298680 /nfs/dbraw/zinc/29/86/80/354298680.db2.gz TWVJZCNJZMTINW-CYBMUJFWSA-N 1 3 286.420 -0.506 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447437100 354298766 /nfs/dbraw/zinc/29/87/66/354298766.db2.gz CCPPSVZQXWURNM-CHWSQXEVSA-N 1 3 286.420 -0.508 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454427820 354356087 /nfs/dbraw/zinc/35/60/87/354356087.db2.gz GFGSXEKCUPYPAI-QWHCGFSZSA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454427820 354356089 /nfs/dbraw/zinc/35/60/89/354356089.db2.gz GFGSXEKCUPYPAI-QWHCGFSZSA-N 1 3 284.404 -0.090 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000449608055 354321097 /nfs/dbraw/zinc/32/10/97/354321097.db2.gz DQPYNCWADZEJTD-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449745575 354321665 /nfs/dbraw/zinc/32/16/65/354321665.db2.gz CDYFRVAUVGSVQZ-AGIUHOORSA-N 1 3 294.399 -0.783 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449703048 354321792 /nfs/dbraw/zinc/32/17/92/354321792.db2.gz VOMQMMWYFGYWNY-JHJVBQTASA-N 1 3 268.405 -0.121 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449694600 354321918 /nfs/dbraw/zinc/32/19/18/354321918.db2.gz HESYVUWBMHMJAG-STQMWFEESA-N 1 3 268.405 -0.119 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000459902592 354392983 /nfs/dbraw/zinc/39/29/83/354392983.db2.gz VZLNMZPPWCTDGV-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000459902592 354392987 /nfs/dbraw/zinc/39/29/87/354392987.db2.gz VZLNMZPPWCTDGV-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)C/C=C/C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491871516 354460957 /nfs/dbraw/zinc/46/09/57/354460957.db2.gz QSAXEMJBWMOODT-LVDDQXARSA-N 1 3 296.415 -0.192 20 0 CBADHO CN(C)C/C=C/C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491871516 354460960 /nfs/dbraw/zinc/46/09/60/354460960.db2.gz QSAXEMJBWMOODT-LVDDQXARSA-N 1 3 296.415 -0.192 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCN(C2CC2)C1 ZINC000515402581 354555739 /nfs/dbraw/zinc/55/57/39/354555739.db2.gz FHIXNQINZWIJQH-YJQGPUDQSA-N 1 3 250.346 -0.260 20 0 CBADHO CNCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000514857767 354555864 /nfs/dbraw/zinc/55/58/64/354555864.db2.gz HUJOCHLSDFZKAZ-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO CN1CCC[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519543819 354562430 /nfs/dbraw/zinc/56/24/30/354562430.db2.gz NFVMNULNTQGVJG-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CN1CCC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529308283 354583396 /nfs/dbraw/zinc/58/33/96/354583396.db2.gz DTYYGTXDCQIXSE-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCCC1 ZINC000534268706 354596463 /nfs/dbraw/zinc/59/64/63/354596463.db2.gz UJRIBIUTYPJBIJ-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@@H+]1CC[C@@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430695276 283041931 /nfs/dbraw/zinc/04/19/31/283041931.db2.gz MPAKNIYRVWKMMR-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CC[C@@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430695276 283041933 /nfs/dbraw/zinc/04/19/33/283041933.db2.gz MPAKNIYRVWKMMR-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(C)[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1O ZINC000556973735 354684600 /nfs/dbraw/zinc/68/46/00/354684600.db2.gz SMXXCSHBHZWGLK-IHRRRGAJSA-N 1 3 281.400 -0.006 20 0 CBADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000562827633 354689104 /nfs/dbraw/zinc/68/91/04/354689104.db2.gz MAACKFPJQLDXJJ-UHFFFAOYSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000562957623 354690045 /nfs/dbraw/zinc/69/00/45/354690045.db2.gz LIUZTNRKDRAIAO-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1CC[NH2+]CC1 ZINC000563146027 354699176 /nfs/dbraw/zinc/69/91/76/354699176.db2.gz IYPFXPOAWJAJSB-LBPRGKRZSA-N 1 3 270.377 -0.798 20 0 CBADHO O=C(CCN1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCNCC1 ZINC000563150015 354699915 /nfs/dbraw/zinc/69/99/15/354699915.db2.gz SYUMLXOSPCEQAK-STQMWFEESA-N 1 3 266.389 -0.508 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000564733430 354715660 /nfs/dbraw/zinc/71/56/60/354715660.db2.gz RQKPQZAVCOUZSW-QWHCGFSZSA-N 1 3 255.362 -0.441 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000564733430 354715662 /nfs/dbraw/zinc/71/56/62/354715662.db2.gz RQKPQZAVCOUZSW-QWHCGFSZSA-N 1 3 255.362 -0.441 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCN(C)C1CC1 ZINC000564798908 354717417 /nfs/dbraw/zinc/71/74/17/354717417.db2.gz AANAKAMOGZWTLE-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000564932916 354721439 /nfs/dbraw/zinc/72/14/39/354721439.db2.gz AHFZJXZUFPVUFL-CHWSQXEVSA-N 1 3 280.416 -0.262 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000564993558 354725027 /nfs/dbraw/zinc/72/50/27/354725027.db2.gz DHJHWYCZLYLDBP-BETUJISGSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H]1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000565040795 354726581 /nfs/dbraw/zinc/72/65/81/354726581.db2.gz XVWFWDALVORDQE-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO COC[C@@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000565769711 354745680 /nfs/dbraw/zinc/74/56/80/354745680.db2.gz RARVEHNJWUFEQT-RYUDHWBXSA-N 1 3 273.377 -0.829 20 0 CBADHO COC[C@@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000565769711 354745683 /nfs/dbraw/zinc/74/56/83/354745683.db2.gz RARVEHNJWUFEQT-RYUDHWBXSA-N 1 3 273.377 -0.829 20 0 CBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC2CNC2)C1 ZINC000565763851 354745732 /nfs/dbraw/zinc/74/57/32/354745732.db2.gz FHYIBIPOVWNONK-RYUDHWBXSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCOCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000565831814 354746437 /nfs/dbraw/zinc/74/64/37/354746437.db2.gz HFTWEVWUROKCHQ-NSHDSACASA-N 1 3 295.387 -0.205 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930931 354748531 /nfs/dbraw/zinc/74/85/31/354748531.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930931 354748535 /nfs/dbraw/zinc/74/85/35/354748535.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000565930931 354748536 /nfs/dbraw/zinc/74/85/36/354748536.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000565930931 354748539 /nfs/dbraw/zinc/74/85/39/354748539.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565999386 354749554 /nfs/dbraw/zinc/74/95/54/354749554.db2.gz OISOUJBXYMSKCM-MJBXVCDLSA-N 1 3 296.415 -0.042 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000566180095 354755447 /nfs/dbraw/zinc/75/54/47/354755447.db2.gz SAWLGMMKJXSQJQ-KGLIPLIRSA-N 1 3 299.415 -0.426 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566246861 354759807 /nfs/dbraw/zinc/75/98/07/354759807.db2.gz JBIJLWMCRFVFOR-BXKDBHETSA-N 1 3 259.350 -0.244 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566252560 354760746 /nfs/dbraw/zinc/76/07/46/354760746.db2.gz BLLZOJJMMZBANO-GXTWGEPZSA-N 1 3 267.373 -0.033 20 0 CBADHO CN(C)[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000566426185 354766713 /nfs/dbraw/zinc/76/67/13/354766713.db2.gz PEZJSGXWHVLSCV-AGIUHOORSA-N 1 3 257.378 -0.952 20 0 CBADHO CN(C)[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000566426185 354766714 /nfs/dbraw/zinc/76/67/14/354766714.db2.gz PEZJSGXWHVLSCV-AGIUHOORSA-N 1 3 257.378 -0.952 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000566864346 354776235 /nfs/dbraw/zinc/77/62/35/354776235.db2.gz BTIOMUWWSRAWTE-UWVGGRQHSA-N 1 3 268.361 -0.937 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000567262422 354784267 /nfs/dbraw/zinc/78/42/67/354784267.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000567262422 354784268 /nfs/dbraw/zinc/78/42/68/354784268.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@@H](C)N(C)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000567262422 354784269 /nfs/dbraw/zinc/78/42/69/354784269.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 1 3 286.464 -0.085 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCC1 ZINC000567267592 354785047 /nfs/dbraw/zinc/78/50/47/354785047.db2.gz FPZFXWUQAHHBHM-NWDGAFQWSA-N 1 3 282.388 -0.573 20 0 CBADHO N[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCC1 ZINC000567267591 354785110 /nfs/dbraw/zinc/78/51/10/354785110.db2.gz FPZFXWUQAHHBHM-NEPJUHHUSA-N 1 3 282.388 -0.573 20 0 CBADHO [NH3+]CC[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000565302720 354735618 /nfs/dbraw/zinc/73/56/18/354735618.db2.gz NHYQZVJOHWHOPW-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000565596948 354741234 /nfs/dbraw/zinc/74/12/34/354741234.db2.gz PIFBBOLUHPDSBB-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](NC(=O)CCC[NH3+])C(=O)NCCN1CCCCC1 ZINC000567823953 354799018 /nfs/dbraw/zinc/79/90/18/354799018.db2.gz XQQAKUPXQYTXRD-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567834685 354799808 /nfs/dbraw/zinc/79/98/08/354799808.db2.gz XIIISVDXQWBPSC-RYUDHWBXSA-N 1 3 284.404 -0.327 20 0 CBADHO Cn1cc(C[C@@H](CO)CNC[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874709 354802537 /nfs/dbraw/zinc/80/25/37/354802537.db2.gz UKFPOTQQYDTIOQ-UKRRQHHQSA-N 1 3 296.415 -0.384 20 0 CBADHO Cn1cc(C[C@@H](CO)CNC[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874709 354802541 /nfs/dbraw/zinc/80/25/41/354802541.db2.gz UKFPOTQQYDTIOQ-UKRRQHHQSA-N 1 3 296.415 -0.384 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000567889712 354803591 /nfs/dbraw/zinc/80/35/91/354803591.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 1 3 268.405 -0.179 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@@](C)(CN)C2)CC1 ZINC000567889712 354803593 /nfs/dbraw/zinc/80/35/93/354803593.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 1 3 268.405 -0.179 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CC[C@@](C)(CN)C2)CC1 ZINC000567889712 354803595 /nfs/dbraw/zinc/80/35/95/354803595.db2.gz LZMOKDREFHEORF-AWEZNQCLSA-N 1 3 268.405 -0.179 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000567983160 354807005 /nfs/dbraw/zinc/80/70/05/354807005.db2.gz VLRIOSXZZKIEPP-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000567983160 354807008 /nfs/dbraw/zinc/80/70/08/354807008.db2.gz VLRIOSXZZKIEPP-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C3(C[NH3+])CCCC3)CCN2C1=O ZINC000568264938 354818963 /nfs/dbraw/zinc/81/89/63/354818963.db2.gz HRNQAPPRKPLROB-WDEREUQCSA-N 1 3 280.372 -0.724 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568286792 354820606 /nfs/dbraw/zinc/82/06/06/354820606.db2.gz GQVGDFFVSJWNGM-VXGBXAGGSA-N 1 3 297.403 -0.718 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568296068 354821330 /nfs/dbraw/zinc/82/13/30/354821330.db2.gz YICVVANITBOGQS-IJLUTSLNSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568296068 354821334 /nfs/dbraw/zinc/82/13/34/354821334.db2.gz YICVVANITBOGQS-IJLUTSLNSA-N 1 3 295.387 -0.966 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000568401157 354823448 /nfs/dbraw/zinc/82/34/48/354823448.db2.gz FLBQUAMWIGKDPO-HNNXBMFYSA-N 1 3 298.431 -0.803 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000568511996 354825021 /nfs/dbraw/zinc/82/50/21/354825021.db2.gz FVWICBWSWJWUHU-DCAQKATOSA-N 1 3 271.361 -0.005 20 0 CBADHO COC[C@@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000568619423 354827468 /nfs/dbraw/zinc/82/74/68/354827468.db2.gz BWXZTYXXRJJXRS-BFHYXJOUSA-N 1 3 272.389 -0.039 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000567670422 354793746 /nfs/dbraw/zinc/79/37/46/354793746.db2.gz KOJIRFLWMHSRDY-CMPLNLGQSA-N 1 3 253.346 -0.425 20 0 CBADHO COC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000567689082 354793810 /nfs/dbraw/zinc/79/38/10/354793810.db2.gz BWXZTYXXRJJXRS-MGPQQGTHSA-N 1 3 272.389 -0.039 20 0 CBADHO C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1=CCN(C)CC1 ZINC000567711017 354794288 /nfs/dbraw/zinc/79/42/88/354794288.db2.gz XNYPIWFSLKGQPA-ZFWWWQNUSA-N 1 3 283.416 -0.081 20 0 CBADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CNCCO1 ZINC000567725775 354795350 /nfs/dbraw/zinc/79/53/50/354795350.db2.gz JVCJUZOJNKITDD-NXEZZACHSA-N 1 3 259.375 -0.814 20 0 CBADHO C[C@H]1CCCN(C(=O)CCOC2CNC2)[C@@H]1C[NH3+] ZINC000349026737 290424992 /nfs/dbraw/zinc/42/49/92/290424992.db2.gz KSKPWLHJHRGCGS-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000570106277 354855065 /nfs/dbraw/zinc/85/50/65/354855065.db2.gz BERGDUCHXMNPJL-NWDGAFQWSA-N 1 3 280.372 -0.839 20 0 CBADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778477 354879920 /nfs/dbraw/zinc/87/99/20/354879920.db2.gz LBJSBZXKNYVRHB-AAEUAGOBSA-N 1 3 292.387 -0.207 20 0 CBADHO CNS(=O)(=O)[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000570632619 354865638 /nfs/dbraw/zinc/86/56/38/354865638.db2.gz UXKPXZDDUZMSFU-LBPRGKRZSA-N 1 3 275.418 0.000 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572134355 354887103 /nfs/dbraw/zinc/88/71/03/354887103.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 1 3 269.393 -0.635 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000572252791 354889137 /nfs/dbraw/zinc/88/91/37/354889137.db2.gz UXZRMCDJWNXHET-CQSZACIVSA-N 1 3 299.415 -0.018 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH3+])CC1 ZINC000572243453 354889695 /nfs/dbraw/zinc/88/96/95/354889695.db2.gz ZGARNYLPNFRNGP-LBPRGKRZSA-N 1 3 270.377 -0.717 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000572256529 354890420 /nfs/dbraw/zinc/89/04/20/354890420.db2.gz OORQZQFBOBPFLI-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](NC(=O)CCCC[NH+](C)C)C(=O)NCCN(C)C ZINC000572496761 354892342 /nfs/dbraw/zinc/89/23/42/354892342.db2.gz VXAXPBFTIVQPBR-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO COCCCN(C)CCNC(=O)N(C)CCC[NH3+] ZINC000572824795 354898804 /nfs/dbraw/zinc/89/88/04/354898804.db2.gz XAGRMLNFVHBKAO-UHFFFAOYSA-N 1 3 260.382 -0.055 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOC3CNC3)C[C@@H]21 ZINC000572991963 354903186 /nfs/dbraw/zinc/90/31/86/354903186.db2.gz IDDDHAWZEQDLMS-KGYLQXTDSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000573075193 354904189 /nfs/dbraw/zinc/90/41/89/354904189.db2.gz NDOFPTVPUAOSIZ-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCCO1 ZINC000573119333 354905931 /nfs/dbraw/zinc/90/59/31/354905931.db2.gz OILDNEXSXPVGBM-NWDGAFQWSA-N 1 3 271.361 -0.669 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573340013 354911052 /nfs/dbraw/zinc/91/10/52/354911052.db2.gz DBIKRYWUOUIEMZ-XQQFMLRXSA-N 1 3 294.399 -0.450 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573801268 354921648 /nfs/dbraw/zinc/92/16/48/354921648.db2.gz XCDOUHMLBUXHEU-YFKTTZPYSA-N 1 3 283.372 -0.147 20 0 CBADHO C[C@@H](CNC[C@H](O)CN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000573954175 354925393 /nfs/dbraw/zinc/92/53/93/354925393.db2.gz XMIUNJGRUUNOLB-HOTGVXAUSA-N 1 3 298.475 -0.084 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000574181175 354930472 /nfs/dbraw/zinc/93/04/72/354930472.db2.gz SHWKAPFTYKTZBA-UHFFFAOYSA-N 1 3 294.399 -0.449 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000574907309 354931561 /nfs/dbraw/zinc/93/15/61/354931561.db2.gz SNORILKXFHANAG-GFCCVEGCSA-N 1 3 280.372 -0.839 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000575138776 354934063 /nfs/dbraw/zinc/93/40/63/354934063.db2.gz MLBZBYABJFVJJB-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000578226627 354942173 /nfs/dbraw/zinc/94/21/73/354942173.db2.gz LTIHOLAPBNNEBO-WDEREUQCSA-N 1 3 257.382 -0.779 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578490143 354947084 /nfs/dbraw/zinc/94/70/84/354947084.db2.gz NVPDUGFIBJAVPV-TUAOUCFPSA-N 1 3 269.393 -0.718 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627951 354950478 /nfs/dbraw/zinc/95/04/78/354950478.db2.gz SRYNVPNWEBBSND-WCQYABFASA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627951 354950479 /nfs/dbraw/zinc/95/04/79/354950479.db2.gz SRYNVPNWEBBSND-WCQYABFASA-N 1 3 267.373 -0.083 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000578768237 354954286 /nfs/dbraw/zinc/95/42/86/354954286.db2.gz PCGANMCJTUBJLG-SRVKXCTJSA-N 1 3 255.362 -0.001 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000579105934 354962287 /nfs/dbraw/zinc/96/22/87/354962287.db2.gz KEBFAMPCMXKVPV-FRRDWIJNSA-N 1 3 294.399 -0.593 20 0 CBADHO CCC[NH2+]CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000579212154 354964419 /nfs/dbraw/zinc/96/44/19/354964419.db2.gz CSAIOHFSAJPLLG-LLVKDONJSA-N 1 3 257.382 -0.730 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN2CCC1CC2 ZINC000579475030 354971025 /nfs/dbraw/zinc/97/10/25/354971025.db2.gz BHLDMTMBCLUQIT-ZDUSSCGKSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)C(C)S(C)(=O)=O ZINC000579589182 354973341 /nfs/dbraw/zinc/97/33/41/354973341.db2.gz ARCKVNMESPQTGZ-SECBINFHSA-N 1 3 250.364 -0.076 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000579708808 354976971 /nfs/dbraw/zinc/97/69/71/354976971.db2.gz SJUYGRXORKOCKX-LLVKDONJSA-N 1 3 280.376 -0.207 20 0 CBADHO CN(C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000580309085 354992823 /nfs/dbraw/zinc/99/28/23/354992823.db2.gz CXEJKCMMJWNDHK-JTQLQIEISA-N 1 3 266.349 -0.679 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCC(=O)N1 ZINC000580675527 354996040 /nfs/dbraw/zinc/99/60/40/354996040.db2.gz RKZJBNBVPWIAKM-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO COC[C@@]1(C(=O)NCCNc2ccncc2)CC[NH2+]C1 ZINC000581009759 355003871 /nfs/dbraw/zinc/00/38/71/355003871.db2.gz VSRGFLNVYRQCKU-CQSZACIVSA-N 1 3 278.356 -0.342 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1(C)C ZINC000581011444 355003905 /nfs/dbraw/zinc/00/39/05/355003905.db2.gz QRUNANVPLOZDAA-ZOWXZIJZSA-N 1 3 298.431 -0.461 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580784323 354998555 /nfs/dbraw/zinc/99/85/55/354998555.db2.gz UPDKSAVMQGVKKM-AWEZNQCLSA-N 1 3 269.389 -0.099 20 0 CBADHO COC(=O)c1cn(CCN[C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000584789746 355038613 /nfs/dbraw/zinc/03/86/13/355038613.db2.gz ARWZKCQEHLCVSZ-UWVGGRQHSA-N 1 3 267.333 -0.076 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000582171583 355009363 /nfs/dbraw/zinc/00/93/63/355009363.db2.gz UHXYSBCUZPCTPV-ZDUSSCGKSA-N 1 3 283.420 -0.374 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000582242679 355011852 /nfs/dbraw/zinc/01/18/52/355011852.db2.gz MRXVEIWUBGGGOL-NHCYSSNCSA-N 1 3 270.377 -0.800 20 0 CBADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000582291431 355012798 /nfs/dbraw/zinc/01/27/98/355012798.db2.gz XZTVARHMTJSVPG-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000582291431 355012800 /nfs/dbraw/zinc/01/28/00/355012800.db2.gz XZTVARHMTJSVPG-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO [NH3+]CCOCCN1CCC(Cn2cncn2)CC1 ZINC000582302014 355013471 /nfs/dbraw/zinc/01/34/71/355013471.db2.gz SAIFGNSOAUDXEZ-UHFFFAOYSA-N 1 3 253.350 -0.035 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000582302243 355013667 /nfs/dbraw/zinc/01/36/67/355013667.db2.gz LSDJCOPGXOZJKT-PWSUYJOCSA-N 1 3 270.377 -0.656 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419018917 295895096 /nfs/dbraw/zinc/89/50/96/295895096.db2.gz CVUSIUXPAPZSSG-NDBYEHHHSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000583565403 355020217 /nfs/dbraw/zinc/02/02/17/355020217.db2.gz KFCQDXKIJQYSLK-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000583872464 355024433 /nfs/dbraw/zinc/02/44/33/355024433.db2.gz JXYRMNPUQUCUQU-QWHCGFSZSA-N 1 3 268.405 -0.180 20 0 CBADHO CCC(=O)N[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000590817500 355089050 /nfs/dbraw/zinc/08/90/50/355089050.db2.gz BHRQYCRGXVNDLR-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592293091 355146436 /nfs/dbraw/zinc/14/64/36/355146436.db2.gz QZDKYUWMWYBWTE-NXEZZACHSA-N 1 3 257.334 -0.475 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CCC(=O)OC ZINC000592474864 355156618 /nfs/dbraw/zinc/15/66/18/355156618.db2.gz HFVGCMJGFGPSIP-VHSXEESVSA-N 1 3 257.334 -0.523 20 0 CBADHO COC(=O)[C@H]1CNCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000592486516 355157548 /nfs/dbraw/zinc/15/75/48/355157548.db2.gz IEKJNECNHZQWRJ-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492182 355158115 /nfs/dbraw/zinc/15/81/15/355158115.db2.gz USCZOBZLSOQNEY-WDEREUQCSA-N 1 3 268.361 -0.107 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492180 355158319 /nfs/dbraw/zinc/15/83/19/355158319.db2.gz USCZOBZLSOQNEY-MNOVXSKESA-N 1 3 268.361 -0.107 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594878145 355267033 /nfs/dbraw/zinc/26/70/33/355267033.db2.gz PUEGFRNYVPJQKP-GRYCIOLGSA-N 1 3 294.399 -0.465 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594878146 355267350 /nfs/dbraw/zinc/26/73/50/355267350.db2.gz PUEGFRNYVPJQKP-IJLUTSLNSA-N 1 3 294.399 -0.465 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878292 355267357 /nfs/dbraw/zinc/26/73/57/355267357.db2.gz FHDQZUPXBVXMCW-IRCOFANPSA-N 1 3 280.372 -0.726 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879326 355268070 /nfs/dbraw/zinc/26/80/70/355268070.db2.gz MZMCVSGVIGYVGX-FVCCEPFGSA-N 1 3 292.383 -0.713 20 0 CBADHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594880564 355268158 /nfs/dbraw/zinc/26/81/58/355268158.db2.gz UVVOHJPEBMCGKB-MXWKQRLJSA-N 1 3 268.361 -0.870 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594879649 355268163 /nfs/dbraw/zinc/26/81/63/355268163.db2.gz FMMXIXFFOGTEPZ-WRWGMCAJSA-N 1 3 280.372 -0.855 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595262846 355276472 /nfs/dbraw/zinc/27/64/72/355276472.db2.gz FOUQOPXRQCVEHA-TUAOUCFPSA-N 1 3 295.387 -0.966 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595262844 355276691 /nfs/dbraw/zinc/27/66/91/355276691.db2.gz FOUQOPXRQCVEHA-SRVKXCTJSA-N 1 3 295.387 -0.966 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668927 355449893 /nfs/dbraw/zinc/44/98/93/355449893.db2.gz TXZJFJFZKIXMIN-JHJVBQTASA-N 1 3 294.399 -0.463 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000599933165 355519344 /nfs/dbraw/zinc/51/93/44/355519344.db2.gz CZRWUXZNPQQTRZ-NOOOWODRSA-N 1 3 295.387 -0.920 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000601325538 355585342 /nfs/dbraw/zinc/58/53/42/355585342.db2.gz KVCVBQRDIIJTDV-WHOHXGKFSA-N 1 3 253.346 -0.345 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000601325538 355585346 /nfs/dbraw/zinc/58/53/46/355585346.db2.gz KVCVBQRDIIJTDV-WHOHXGKFSA-N 1 3 253.346 -0.345 20 0 CBADHO COC(=O)c1cn(CC[NH2+]C[C@@H](O)CN2CCCC2)nn1 ZINC000600739789 355564052 /nfs/dbraw/zinc/56/40/52/355564052.db2.gz FTTDITZFGWXPHP-LLVKDONJSA-N 1 3 297.359 -0.889 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CCC(=O)OC ZINC000602545221 355659112 /nfs/dbraw/zinc/65/91/12/355659112.db2.gz VOIFJHDCNKIOII-KXUCPTDWSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602582869 355662558 /nfs/dbraw/zinc/66/25/58/355662558.db2.gz YIUQOVDZENVNLR-MNOVXSKESA-N 1 3 271.361 -0.003 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000602605577 355664671 /nfs/dbraw/zinc/66/46/71/355664671.db2.gz WZZNFHVBQZEIET-SDDRHHMPSA-N 1 3 283.372 -0.133 20 0 CBADHO CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000602021607 355625654 /nfs/dbraw/zinc/62/56/54/355625654.db2.gz QBRBGDXOUZPRLV-UTUOFQBUSA-N 1 3 254.378 -0.539 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1CC12CC(C1)C[NH2+]2 ZINC000602022233 355626064 /nfs/dbraw/zinc/62/60/64/355626064.db2.gz RZFCBZYDTBLPIM-AKJDGMEZSA-N 1 3 253.346 -0.425 20 0 CBADHO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602875946 355679241 /nfs/dbraw/zinc/67/92/41/355679241.db2.gz CEYNMKQJMIHTHG-CHWSQXEVSA-N 1 3 274.361 -0.701 20 0 CBADHO COC(=O)[C@](C)(O)C[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602875946 355679244 /nfs/dbraw/zinc/67/92/44/355679244.db2.gz CEYNMKQJMIHTHG-CHWSQXEVSA-N 1 3 274.361 -0.701 20 0 CBADHO COCCN(C)CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875873 355854324 /nfs/dbraw/zinc/85/43/24/355854324.db2.gz OBJXOKNIJVRWCY-GFCCVEGCSA-N 1 3 258.366 -0.384 20 0 CBADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973502 355858422 /nfs/dbraw/zinc/85/84/22/355858422.db2.gz HHPPDKAMRCJEOB-GFCCVEGCSA-N 1 3 296.415 -0.116 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612979703 355858670 /nfs/dbraw/zinc/85/86/70/355858670.db2.gz IYHUHPFGBZTFOO-SMDDNHRTSA-N 1 3 282.388 -0.506 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000614851028 355990876 /nfs/dbraw/zinc/99/08/76/355990876.db2.gz DWNFSPPPHRLBFD-GFCCVEGCSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000615313253 356021029 /nfs/dbraw/zinc/02/10/29/356021029.db2.gz HXGVKIMLBSDVCE-HZSPNIEDSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H](CCNC(=O)[C@H]1CN2CCN1CCC2)[NH+](C)C ZINC000617756964 356154329 /nfs/dbraw/zinc/15/43/29/356154329.db2.gz RUUGYGTYPGNAIL-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@H](CCNC(=O)[C@H]1CN2CCN1CCC2)[NH+](C)C ZINC000617756962 356154824 /nfs/dbraw/zinc/15/48/24/356154824.db2.gz RUUGYGTYPGNAIL-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C(N)=O)CC1 ZINC000617505777 356139919 /nfs/dbraw/zinc/13/99/19/356139919.db2.gz PQRYVAWVESKYTH-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C(N)=O)CC1 ZINC000617505777 356139923 /nfs/dbraw/zinc/13/99/23/356139923.db2.gz PQRYVAWVESKYTH-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN(C)C1=O ZINC000617507037 356139942 /nfs/dbraw/zinc/13/99/42/356139942.db2.gz GAIFGFSPTQFYIJ-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN(C)C1=O ZINC000617507037 356139945 /nfs/dbraw/zinc/13/99/45/356139945.db2.gz GAIFGFSPTQFYIJ-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCCC1=O ZINC000617504440 356139970 /nfs/dbraw/zinc/13/99/70/356139970.db2.gz VYITXPGVRJOEHC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCCC1=O ZINC000617504440 356139972 /nfs/dbraw/zinc/13/99/72/356139972.db2.gz VYITXPGVRJOEHC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621698689 356281061 /nfs/dbraw/zinc/28/10/61/356281061.db2.gz CTUQWKXASNDDIG-VHRBIJSZSA-N 1 3 282.388 -0.574 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621698687 356281374 /nfs/dbraw/zinc/28/13/74/356281374.db2.gz CTUQWKXASNDDIG-OSMZGAPFSA-N 1 3 282.388 -0.574 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[C@@H]2C1 ZINC000418677624 283148581 /nfs/dbraw/zinc/14/85/81/283148581.db2.gz UUDOSSXXRBETFT-KIJLLGNVSA-N 1 3 264.373 -0.060 20 0 CBADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC000621669604 356280124 /nfs/dbraw/zinc/28/01/24/356280124.db2.gz QNIHMCYHOWOFSB-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCOC1CNC1)C2 ZINC000621684510 356280647 /nfs/dbraw/zinc/28/06/47/356280647.db2.gz NKECBLQOSZFCIW-GXFFZTMASA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CNCCO1)C2 ZINC000621684368 356280756 /nfs/dbraw/zinc/28/07/56/356280756.db2.gz LIMUDQPKBSKUIO-LOWVWBTDSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621839029 356289165 /nfs/dbraw/zinc/28/91/65/356289165.db2.gz MWLGLXLBHQYBGL-ABAIWWIYSA-N 1 3 294.399 -0.463 20 0 CBADHO CC[NH+]1CCC(N(C)c2nc(N)nc(N)n2)CC1 ZINC000623833701 356378432 /nfs/dbraw/zinc/37/84/32/356378432.db2.gz ULMJWRZDURCASG-UHFFFAOYSA-N 1 3 251.338 -0.383 20 0 CBADHO C[NH+](C)[C@@H](CNc1nc(N)nc(N)n1)c1ccc(F)cc1 ZINC000623877333 356380250 /nfs/dbraw/zinc/38/02/50/356380250.db2.gz YVRXCXFEBNPGKB-JTQLQIEISA-N 1 3 291.334 -0.027 20 0 CBADHO Nc1nc(N)nc(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000623875670 356380586 /nfs/dbraw/zinc/38/05/86/356380586.db2.gz RUWIWFJDALMLTM-UHFFFAOYSA-N 1 3 263.349 -0.595 20 0 CBADHO CC[NH+]1CCC(CNc2nc(N)nc(N)n2)CC1 ZINC000623887909 356381574 /nfs/dbraw/zinc/38/15/74/356381574.db2.gz QVFGMRLRNYSUDQ-UHFFFAOYSA-N 1 3 251.338 -0.738 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000624041342 356391737 /nfs/dbraw/zinc/39/17/37/356391737.db2.gz QVLGEOHPLKISNG-IUCAKERBSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000624041342 356391739 /nfs/dbraw/zinc/39/17/39/356391739.db2.gz QVLGEOHPLKISNG-IUCAKERBSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@@H+]1CCCC12CCN(c1nc(N)nc(N)n1)CC2 ZINC000624081717 356394990 /nfs/dbraw/zinc/39/49/90/356394990.db2.gz DNUKLJVDLLJDJZ-UHFFFAOYSA-N 1 3 263.349 -0.239 20 0 CBADHO C[N@H+]1CCCC12CCN(c1nc(N)nc(N)n1)CC2 ZINC000624081717 356394993 /nfs/dbraw/zinc/39/49/93/356394993.db2.gz DNUKLJVDLLJDJZ-UHFFFAOYSA-N 1 3 263.349 -0.239 20 0 CBADHO C[NH+](C)CC1(CNc2nc(N)nc(N)n2)CCCC1 ZINC000624101744 356396421 /nfs/dbraw/zinc/39/64/21/356396421.db2.gz ZFPSLBHXDUNBED-UHFFFAOYSA-N 1 3 265.365 -0.347 20 0 CBADHO C[NH+]1CCC(C)(CNc2nc(N)nc(N)n2)CC1 ZINC000624091798 356396980 /nfs/dbraw/zinc/39/69/80/356396980.db2.gz OHDKTCZOUWMQMD-UHFFFAOYSA-N 1 3 251.338 -0.738 20 0 CBADHO CC(C)C[N@H+](C)CCCNc1nc(N)nc(N)n1 ZINC000624346557 356413220 /nfs/dbraw/zinc/41/32/20/356413220.db2.gz RDRVCCQHXYGDEK-UHFFFAOYSA-N 1 3 253.354 -0.492 20 0 CBADHO CC(C)C[N@@H+](C)CCCNc1nc(N)nc(N)n1 ZINC000624346557 356413226 /nfs/dbraw/zinc/41/32/26/356413226.db2.gz RDRVCCQHXYGDEK-UHFFFAOYSA-N 1 3 253.354 -0.492 20 0 CBADHO CN(CCC[NH+]1CCCC1)c1nc(N)nc(N)n1 ZINC000624181055 356402790 /nfs/dbraw/zinc/40/27/90/356402790.db2.gz YAMHUGPXIFNVCS-UHFFFAOYSA-N 1 3 251.338 -0.381 20 0 CBADHO Nc1nc(N)nc(N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000624275287 356409254 /nfs/dbraw/zinc/40/92/54/356409254.db2.gz RMQXXZHDVCNBDC-UHFFFAOYSA-N 1 3 293.375 -0.612 20 0 CBADHO Nc1nc(N)nc(N2CCC([N@H+]3CCCOCC3)CC2)n1 ZINC000624275287 356409257 /nfs/dbraw/zinc/40/92/57/356409257.db2.gz RMQXXZHDVCNBDC-UHFFFAOYSA-N 1 3 293.375 -0.612 20 0 CBADHO [NH3+]CCCOCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000626978210 356562434 /nfs/dbraw/zinc/56/24/34/356562434.db2.gz AJJFYSCWYUWKHR-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)NC1CCN(C)CC1 ZINC000626921760 356556129 /nfs/dbraw/zinc/55/61/29/356556129.db2.gz PAZWFDZWCUZFJG-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO CN1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626920810 356556322 /nfs/dbraw/zinc/55/63/22/356556322.db2.gz CCTBIEGFDAJIDV-UHFFFAOYSA-N 1 3 258.366 -0.255 20 0 CBADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCN1C ZINC000626950451 356558654 /nfs/dbraw/zinc/55/86/54/356558654.db2.gz RIRBZWHIOSEDFM-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626986332 356563378 /nfs/dbraw/zinc/56/33/78/356563378.db2.gz GCKQQEDUIWQFOG-UONOGXRCSA-N 1 3 297.447 -0.079 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000626982959 356563534 /nfs/dbraw/zinc/56/35/34/356563534.db2.gz XJQWQXRIPOZEAQ-MNOVXSKESA-N 1 3 256.350 -0.632 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131870 356588039 /nfs/dbraw/zinc/58/80/39/356588039.db2.gz XEWCPTSRVKGDOA-YPMHNXCESA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@H]1NCCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H]1C ZINC000627147502 356588696 /nfs/dbraw/zinc/58/86/96/356588696.db2.gz JUBCMLYNQOQPHQ-GHMZBOCLSA-N 1 3 270.377 -0.114 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)NCC3([NH3+])CCOCC3)C[C@@H]21 ZINC000627147732 356588803 /nfs/dbraw/zinc/58/88/03/356588803.db2.gz MAFSMEINUPOWGF-NEPJUHHUSA-N 1 3 282.388 -0.160 20 0 CBADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C)CN1 ZINC000627146883 356588833 /nfs/dbraw/zinc/58/88/33/356588833.db2.gz BUQYNWJMXBBEGT-QWRGUYRKSA-N 1 3 270.377 -0.114 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000627169861 356592623 /nfs/dbraw/zinc/59/26/23/356592623.db2.gz VINGFXZOFHNLRJ-NXEZZACHSA-N 1 3 262.329 -0.697 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000627171958 356592885 /nfs/dbraw/zinc/59/28/85/356592885.db2.gz NJVJDYBMTMXVAJ-NWDGAFQWSA-N 1 3 270.377 -0.432 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000627171809 356592988 /nfs/dbraw/zinc/59/29/88/356592988.db2.gz IQEGDXQDDRDUIJ-AWEZNQCLSA-N 1 3 284.404 -0.040 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCN2CCC1CC2 ZINC000627173161 356593807 /nfs/dbraw/zinc/59/38/07/356593807.db2.gz PEFVWIFMDCXMPV-UHFFFAOYSA-N 1 3 270.377 -0.288 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000627176012 356594378 /nfs/dbraw/zinc/59/43/78/356594378.db2.gz GGOWCMQTIOEMIS-ZDUSSCGKSA-N 1 3 282.388 -0.122 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103448 356583782 /nfs/dbraw/zinc/58/37/82/356583782.db2.gz SDFGPGQJYUCBEL-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627116194 356586183 /nfs/dbraw/zinc/58/61/83/356586183.db2.gz GPQWVEZHHSXZKU-CHWSQXEVSA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000627244933 356611294 /nfs/dbraw/zinc/61/12/94/356611294.db2.gz AKHLYZZTZZOSMT-RWMBFGLXSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)NCC2(O)CCN(C)CC2)C[NH2+]1 ZINC000627198114 356604143 /nfs/dbraw/zinc/60/41/43/356604143.db2.gz IQQXFDCSOSUZLZ-NEPJUHHUSA-N 1 3 284.404 -0.117 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCOC3(CNC3)C2)C[NH2+]1 ZINC000627210985 356606031 /nfs/dbraw/zinc/60/60/31/356606031.db2.gz YUORTGATFPCLRQ-MNOVXSKESA-N 1 3 268.361 -0.489 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000627349572 356630309 /nfs/dbraw/zinc/63/03/09/356630309.db2.gz SCPYJLAAXYTQPN-JQWIXIFHSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627365204 356632563 /nfs/dbraw/zinc/63/25/63/356632563.db2.gz IQKKNYZHMQMKBQ-SDDRHHMPSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000627294468 356621004 /nfs/dbraw/zinc/62/10/04/356621004.db2.gz BEEQCYDQAZGESR-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627293195 356621069 /nfs/dbraw/zinc/62/10/69/356621069.db2.gz NJQZQEYVLGNVJD-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627291071 356621121 /nfs/dbraw/zinc/62/11/21/356621121.db2.gz JMGUDLDLABAJHE-LBPRGKRZSA-N 1 3 294.399 -0.402 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627320654 356625563 /nfs/dbraw/zinc/62/55/63/356625563.db2.gz KFIKFNYNNYEPOJ-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NCCN(C)C1CC1 ZINC000627319224 356625748 /nfs/dbraw/zinc/62/57/48/356625748.db2.gz NGGPRQCMRDUMKG-UHFFFAOYSA-N 1 3 256.350 -0.996 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000627325320 356625799 /nfs/dbraw/zinc/62/57/99/356625799.db2.gz FQHYWTMFWCOKDX-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627428964 356645258 /nfs/dbraw/zinc/64/52/58/356645258.db2.gz TWGPGXVXDZJOKC-XQQFMLRXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627428496 356645883 /nfs/dbraw/zinc/64/58/83/356645883.db2.gz HJURYDLFIBJUDE-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(CC)CCN ZINC000627392952 356638124 /nfs/dbraw/zinc/63/81/24/356638124.db2.gz KLHGOHGLKVGULL-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(CC)CCN ZINC000627392952 356638125 /nfs/dbraw/zinc/63/81/25/356638125.db2.gz KLHGOHGLKVGULL-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504052 356660366 /nfs/dbraw/zinc/66/03/66/356660366.db2.gz RUUCOIJOHTVNJN-VXGBXAGGSA-N 1 3 282.388 -0.594 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627478479 356653568 /nfs/dbraw/zinc/65/35/68/356653568.db2.gz NKKLEVUOPMKCTN-YNEHKIRRSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000627502952 356658767 /nfs/dbraw/zinc/65/87/67/356658767.db2.gz UJRNJJNUSPKACK-WUHRBBMRSA-N 1 3 296.415 -0.348 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000627501736 356659232 /nfs/dbraw/zinc/65/92/32/356659232.db2.gz WCOGRQOPSXXEHW-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000627503963 356659677 /nfs/dbraw/zinc/65/96/77/356659677.db2.gz MWJJPCOUFHHCEY-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000628274720 356695107 /nfs/dbraw/zinc/69/51/07/356695107.db2.gz KANRFOVTYYHMTD-LLVKDONJSA-N 1 3 292.449 -0.155 20 0 CBADHO NC(=O)C[C@@H]1CN([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000629545441 356778076 /nfs/dbraw/zinc/77/80/76/356778076.db2.gz MIDTZDUSIWXCFA-YVECIDJPSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)c1cccnc1 ZINC000629555750 356779176 /nfs/dbraw/zinc/77/91/76/356779176.db2.gz OTHQCBRCUQFJNC-CQSZACIVSA-N 1 3 292.383 -0.142 20 0 CBADHO c1cnc(N2CCN(CC3CC[NH2+]CC3)CC2)nn1 ZINC000629497198 356774640 /nfs/dbraw/zinc/77/46/40/356774640.db2.gz WYAVEKGFYXOCDV-UHFFFAOYSA-N 1 3 262.361 -0.007 20 0 CBADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CN1 ZINC000629660334 356788881 /nfs/dbraw/zinc/78/88/81/356788881.db2.gz RWEATNOJVIGUJN-JHJVBQTASA-N 1 3 268.405 -0.086 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000629794970 356793291 /nfs/dbraw/zinc/79/32/91/356793291.db2.gz XJQLMASEBHVKMN-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000629794742 356793644 /nfs/dbraw/zinc/79/36/44/356793644.db2.gz CQRBRVBJOWTRLI-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000629795092 356794264 /nfs/dbraw/zinc/79/42/64/356794264.db2.gz GKHRBGHMWBUQKS-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000629804875 356797080 /nfs/dbraw/zinc/79/70/80/356797080.db2.gz VXNAOHUGQZOJPZ-LBPRGKRZSA-N 1 3 284.404 -0.265 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN1CC[C@H](O)C1 ZINC000629912968 356805983 /nfs/dbraw/zinc/80/59/83/356805983.db2.gz DATGKJAMNWYJRC-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO O=C1CCC[C@@H](C[NH2+]C[C@@H](O)CN2CCCC2)N1 ZINC000629579432 356782717 /nfs/dbraw/zinc/78/27/17/356782717.db2.gz NHHVMZYKXJMGMB-NWDGAFQWSA-N 1 3 255.362 -0.299 20 0 CBADHO CO[C@@H]1CN(S(=O)(=O)CCCN(C)C)[C@@](C)(C[NH3+])C1 ZINC000630369254 356839760 /nfs/dbraw/zinc/83/97/60/356839760.db2.gz WEWMQBAVIBLYEB-NWDGAFQWSA-N 1 3 293.433 -0.294 20 0 CBADHO CN(C)CCNC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH+](C)C ZINC000630409471 356844946 /nfs/dbraw/zinc/84/49/46/356844946.db2.gz SHGDNYXPDASEGN-VXGBXAGGSA-N 1 3 284.404 -0.632 20 0 CBADHO CC(C)C[N@H+](CCN(C)C)CCn1cc([C@@H](N)CO)nn1 ZINC000630610868 356855490 /nfs/dbraw/zinc/85/54/90/356855490.db2.gz RXHFHZLBZVPJNM-ZDUSSCGKSA-N 1 3 298.435 -0.210 20 0 CBADHO CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@@H](N)CO)nn1 ZINC000630610868 356855491 /nfs/dbraw/zinc/85/54/91/356855491.db2.gz RXHFHZLBZVPJNM-ZDUSSCGKSA-N 1 3 298.435 -0.210 20 0 CBADHO CC(C)CN(CCn1cc([C@@H](N)CO)nn1)CC[NH+](C)C ZINC000630610868 356855493 /nfs/dbraw/zinc/85/54/93/356855493.db2.gz RXHFHZLBZVPJNM-ZDUSSCGKSA-N 1 3 298.435 -0.210 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CCc2ncnn21 ZINC000631822120 356908719 /nfs/dbraw/zinc/90/87/19/356908719.db2.gz TXLCJPRVRYKEBJ-LBPRGKRZSA-N 1 3 264.377 -0.398 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CCc2ncnn21 ZINC000631822119 356908882 /nfs/dbraw/zinc/90/88/82/356908882.db2.gz TXLCJPRVRYKEBJ-GFCCVEGCSA-N 1 3 264.377 -0.398 20 0 CBADHO O=S(=O)(CCCN1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631933945 356927416 /nfs/dbraw/zinc/92/74/16/356927416.db2.gz MDXHFDUXXXJPLU-BETUJISGSA-N 1 3 287.429 -0.047 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631938960 356928749 /nfs/dbraw/zinc/92/87/49/356928749.db2.gz PSYDGNQMSBOMLJ-VXGBXAGGSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631938957 356928828 /nfs/dbraw/zinc/92/88/28/356928828.db2.gz PSYDGNQMSBOMLJ-NEPJUHHUSA-N 1 3 275.418 -0.048 20 0 CBADHO C[NH2+]CCCN(C)S(=O)(=O)CCCN(C)C ZINC000631944824 356930487 /nfs/dbraw/zinc/93/04/87/356930487.db2.gz IRBVZRJUNJOOTI-UHFFFAOYSA-N 1 3 251.396 -0.191 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)CCCN(C)C ZINC000631946974 356931297 /nfs/dbraw/zinc/93/12/97/356931297.db2.gz PRYLMOGLUIPSMZ-VHSXEESVSA-N 1 3 251.396 -0.017 20 0 CBADHO CN(CCOCC[NH3+])S(=O)(=O)CCCN1CCCC1 ZINC000631954999 356934115 /nfs/dbraw/zinc/93/41/15/356934115.db2.gz CCIQLPGLPUFDQP-UHFFFAOYSA-N 1 3 293.433 -0.291 20 0 CBADHO C[C@H]1CC[C@@H](NS(=O)(=O)CCCN(C)C)C[NH2+]1 ZINC000631955244 356934982 /nfs/dbraw/zinc/93/49/82/356934982.db2.gz GYPMEDPZUPGPDH-WDEREUQCSA-N 1 3 263.407 -0.002 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCOCCC[NH3+] ZINC000631955426 356935090 /nfs/dbraw/zinc/93/50/90/356935090.db2.gz JWRIYWQBBJEUTH-UHFFFAOYSA-N 1 3 267.395 -0.777 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000632072133 356949422 /nfs/dbraw/zinc/94/94/22/356949422.db2.gz WNAZSGPLHAIQGL-AWEZNQCLSA-N 1 3 297.403 -0.513 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000632136356 356953836 /nfs/dbraw/zinc/95/38/36/356953836.db2.gz OBQQMDPYWAPQSD-NSHDSACASA-N 1 3 281.422 -0.830 20 0 CBADHO CC1(OCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)CNC1 ZINC000632862683 357028774 /nfs/dbraw/zinc/02/87/74/357028774.db2.gz UOLRNTYMBIRZDT-VXGBXAGGSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633079330 357041130 /nfs/dbraw/zinc/04/11/30/357041130.db2.gz VYDKBLRBEMKJGQ-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095635 357044821 /nfs/dbraw/zinc/04/48/21/357044821.db2.gz XLGHTZLCOAMJGT-ZDEQEGDKSA-N 1 3 294.399 -0.642 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633112320 357047769 /nfs/dbraw/zinc/04/77/69/357047769.db2.gz XQZQSVUUPYZOJM-STQMWFEESA-N 1 3 294.399 -0.497 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC000633115085 357048760 /nfs/dbraw/zinc/04/87/60/357048760.db2.gz NAKDAKYDBNTIJA-NDBYEHHHSA-N 1 3 292.383 -0.888 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000633116744 357050243 /nfs/dbraw/zinc/05/02/43/357050243.db2.gz WZWLINKEKLXDTQ-AGIUHOORSA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000633118258 357050314 /nfs/dbraw/zinc/05/03/14/357050314.db2.gz IDVHGVVTCDZLQG-NWDGAFQWSA-N 1 3 296.415 -0.123 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000634769192 357133991 /nfs/dbraw/zinc/13/39/91/357133991.db2.gz PQRLPILEDFATSF-JMSVASOKSA-N 1 3 294.399 -0.416 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000634765430 357134051 /nfs/dbraw/zinc/13/40/51/357134051.db2.gz SHLJSHQBDVRPIO-OUAUKWLOSA-N 1 3 255.362 -0.003 20 0 CBADHO C[C@](O)(CO)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719839 357129340 /nfs/dbraw/zinc/12/93/40/357129340.db2.gz AIEJRTRGRALUPN-HZPDHXFCSA-N 1 3 294.395 -0.044 20 0 CBADHO C[C@](O)(CO)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719839 357129342 /nfs/dbraw/zinc/12/93/42/357129342.db2.gz AIEJRTRGRALUPN-HZPDHXFCSA-N 1 3 294.395 -0.044 20 0 CBADHO CN1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635801562 357209681 /nfs/dbraw/zinc/20/96/81/357209681.db2.gz KEYAPKNKDJYWDZ-ZDUSSCGKSA-N 1 3 255.362 -0.489 20 0 CBADHO CCN(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635809506 357211010 /nfs/dbraw/zinc/21/10/10/357211010.db2.gz JTGKLRVDRWBACV-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CCN(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635809506 357211011 /nfs/dbraw/zinc/21/10/11/357211011.db2.gz JTGKLRVDRWBACV-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000635928437 357235625 /nfs/dbraw/zinc/23/56/25/357235625.db2.gz GKHVCKKXIWMIMT-QWHCGFSZSA-N 1 3 281.400 -0.004 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635929701 357235638 /nfs/dbraw/zinc/23/56/38/357235638.db2.gz XNIMOBMNGWDDQJ-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000636645207 357295076 /nfs/dbraw/zinc/29/50/76/357295076.db2.gz NSIRXJVMMQXLSI-NEPJUHHUSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000636645207 357295079 /nfs/dbraw/zinc/29/50/79/357295079.db2.gz NSIRXJVMMQXLSI-NEPJUHHUSA-N 1 3 270.377 -0.554 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636791362 357304026 /nfs/dbraw/zinc/30/40/26/357304026.db2.gz VUDAUNYHKSBUSX-WCQYABFASA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636791362 357304027 /nfs/dbraw/zinc/30/40/27/357304027.db2.gz VUDAUNYHKSBUSX-WCQYABFASA-N 1 3 282.388 -0.411 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636181463 357269424 /nfs/dbraw/zinc/26/94/24/357269424.db2.gz DEJBLLZDTOWSEH-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636181463 357269427 /nfs/dbraw/zinc/26/94/27/357269427.db2.gz DEJBLLZDTOWSEH-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO C[NH2+]CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637825096 357371382 /nfs/dbraw/zinc/37/13/82/357371382.db2.gz VIZXIRPANJMDPD-ZDUSSCGKSA-N 1 3 264.373 -0.219 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822395 357371421 /nfs/dbraw/zinc/37/14/21/357371421.db2.gz KGBKZQLKHHTPOY-ZDUSSCGKSA-N 1 3 287.404 -0.222 20 0 CBADHO CC[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)N(C)C ZINC000637831667 357372621 /nfs/dbraw/zinc/37/26/21/357372621.db2.gz BHRXVWQUZAKTHH-LBPRGKRZSA-N 1 3 256.394 -0.310 20 0 CBADHO CCCN(C(=O)CN1CCNCC1)[C@H]1CC[NH2+]C1 ZINC000637832399 357372688 /nfs/dbraw/zinc/37/26/88/357372688.db2.gz ICNRSYKVLKVPGA-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H](C)N[C@@H](C)C2)C1 ZINC000637840981 357374501 /nfs/dbraw/zinc/37/45/01/357374501.db2.gz QMXSDGPECLPJNH-ZPFDUUQYSA-N 1 3 255.362 -0.038 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637862328 357378341 /nfs/dbraw/zinc/37/83/41/357378341.db2.gz PKZAOOHOVTWZBT-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]C[C@H](NC(=O)CN1CCNCC1)C1CCCCC1 ZINC000637845502 357376215 /nfs/dbraw/zinc/37/62/15/357376215.db2.gz PUAZYMWKFGBEBW-ZDUSSCGKSA-N 1 3 268.405 -0.085 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637403003 357344098 /nfs/dbraw/zinc/34/40/98/357344098.db2.gz GTVUYQRONZBILD-HAQNSBGRSA-N 1 3 299.419 -0.615 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CN1CCNCC1 ZINC000637848894 357376455 /nfs/dbraw/zinc/37/64/55/357376455.db2.gz LKHLOWZIUHTJFG-ZDUSSCGKSA-N 1 3 256.394 -0.229 20 0 CBADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCNCC1 ZINC000637800390 357365216 /nfs/dbraw/zinc/36/52/16/357365216.db2.gz DIZKCOIYAXRHMS-CQSZACIVSA-N 1 3 276.384 -0.123 20 0 CBADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCNCC1 ZINC000637800390 357365222 /nfs/dbraw/zinc/36/52/22/357365222.db2.gz DIZKCOIYAXRHMS-CQSZACIVSA-N 1 3 276.384 -0.123 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[NH3+] ZINC000637798431 357365420 /nfs/dbraw/zinc/36/54/20/357365420.db2.gz YAJHTIHKQVXLOT-LBPRGKRZSA-N 1 3 250.346 -0.479 20 0 CBADHO COC[C@]1(C(=O)N2CCC[NH2+]CC2)CCCCN1 ZINC000637804190 357366368 /nfs/dbraw/zinc/36/63/68/357366368.db2.gz VLDXUWASNCFBBT-ZDUSSCGKSA-N 1 3 255.362 -0.033 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)[C@]2(COC)CCCCN2)C1 ZINC000637802527 357366779 /nfs/dbraw/zinc/36/67/79/357366779.db2.gz SEXQKXSAUFRLJB-WCQYABFASA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[NH2+]C2)cn1 ZINC000637811369 357368807 /nfs/dbraw/zinc/36/88/07/357368807.db2.gz KETVKSGJFJKMIF-LLVKDONJSA-N 1 3 251.334 -0.464 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCN2CCCC2)C1 ZINC000638055191 357406745 /nfs/dbraw/zinc/40/67/45/357406745.db2.gz GKCPIHSBAVAIAE-DGCLKSJQSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638070693 357409509 /nfs/dbraw/zinc/40/95/09/357409509.db2.gz UZZILBGYOBPBTO-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638071131 357409697 /nfs/dbraw/zinc/40/96/97/357409697.db2.gz FOPSMVAZUZMQDN-TZMCWYRMSA-N 1 3 287.404 -0.162 20 0 CBADHO COCCN(C)CCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638071129 357410197 /nfs/dbraw/zinc/41/01/97/357410197.db2.gz FOPSMVAZUZMQDN-JSGCOSHPSA-N 1 3 287.404 -0.162 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000638098821 357417624 /nfs/dbraw/zinc/41/76/24/357417624.db2.gz POELJUVIMPPFCA-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638122085 357422176 /nfs/dbraw/zinc/42/21/76/357422176.db2.gz HTMQVSAQRRQJOM-OCCSQVGLSA-N 1 3 287.404 -0.162 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CN1C1CC1 ZINC000638134938 357423734 /nfs/dbraw/zinc/42/37/34/357423734.db2.gz QNPMKKGYQCDZSC-NEPJUHHUSA-N 1 3 266.389 -0.367 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137821 357423839 /nfs/dbraw/zinc/42/38/39/357423839.db2.gz OVGRBAVNCZSCLD-OAHLLOKOSA-N 1 3 298.431 -0.504 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCN(C)CC2)C1 ZINC000638137256 357424120 /nfs/dbraw/zinc/42/41/20/357424120.db2.gz SKYPZQKZDWDHPJ-DZGCQCFKSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CN1C1CC1 ZINC000638134943 357424383 /nfs/dbraw/zinc/42/43/83/357424383.db2.gz QNPMKKGYQCDZSC-RYUDHWBXSA-N 1 3 266.389 -0.367 20 0 CBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638139213 357425285 /nfs/dbraw/zinc/42/52/85/357425285.db2.gz KEQUTNGIUUFPBT-MELADBBJSA-N 1 3 296.415 -0.659 20 0 CBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638139213 357425288 /nfs/dbraw/zinc/42/52/88/357425288.db2.gz KEQUTNGIUUFPBT-MELADBBJSA-N 1 3 296.415 -0.659 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638151059 357426472 /nfs/dbraw/zinc/42/64/72/357426472.db2.gz ABZVZMCEZCIBHR-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638152257 357427445 /nfs/dbraw/zinc/42/74/45/357427445.db2.gz DAFIFDJUWMSGKK-AWEZNQCLSA-N 1 3 295.383 -0.083 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638152258 357427610 /nfs/dbraw/zinc/42/76/10/357427610.db2.gz DAFIFDJUWMSGKK-CQSZACIVSA-N 1 3 295.383 -0.083 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000638164890 357428962 /nfs/dbraw/zinc/42/89/62/357428962.db2.gz MVCIVVOBECIEOX-ROHXPCBUSA-N 1 3 253.346 -0.312 20 0 CBADHO CN(C)CCn1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000638213777 357435047 /nfs/dbraw/zinc/43/50/47/357435047.db2.gz ITNRWYOGLOPCDF-TXEJJXNPSA-N 1 3 277.372 -0.264 20 0 CBADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCCOC1 ZINC000638248276 357443830 /nfs/dbraw/zinc/44/38/30/357443830.db2.gz NTMRDUSRVRCCCX-JBLDHEPKSA-N 1 3 259.325 -0.442 20 0 CBADHO COC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CCCCN1 ZINC000637868664 357380076 /nfs/dbraw/zinc/38/00/76/357380076.db2.gz YQUVIEVZLUHPOT-BZPMIXESSA-N 1 3 285.388 -0.280 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000638579353 357497556 /nfs/dbraw/zinc/49/75/56/357497556.db2.gz OZGMYTKCZWELGJ-YWPYICTPSA-N 1 3 299.415 -0.129 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)COC1(C)CNC1 ZINC000638591883 357499607 /nfs/dbraw/zinc/49/96/07/357499607.db2.gz NZLMKNYWRPIGHO-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)c1cnn(CCN(C)C)c1 ZINC000638258431 357444774 /nfs/dbraw/zinc/44/47/74/357444774.db2.gz HEWSWLHRMMNQDI-NSHDSACASA-N 1 3 253.350 -0.088 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638264889 357446236 /nfs/dbraw/zinc/44/62/36/357446236.db2.gz YSGMYOSIUWLZLT-LOWDOPEQSA-N 1 3 267.373 -0.049 20 0 CBADHO CC1(C)CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCN1 ZINC000638269797 357447388 /nfs/dbraw/zinc/44/73/88/357447388.db2.gz AMFMXLKGPKOPHP-CYBMUJFWSA-N 1 3 255.362 -0.048 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370519 357463983 /nfs/dbraw/zinc/46/39/83/357463983.db2.gz ZJMXYRVFDBZNLG-LBPRGKRZSA-N 1 3 266.389 -0.318 20 0 CBADHO N[C@H]1CCO[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379684 357464456 /nfs/dbraw/zinc/46/44/56/357464456.db2.gz KNTUDFWTQMXZBF-PCQVFGIUSA-N 1 3 253.346 -0.168 20 0 CBADHO N[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[C@H]1F ZINC000638430153 357475468 /nfs/dbraw/zinc/47/54/68/357475468.db2.gz JMUXBZCVVUKTDP-FOGDFJRCSA-N 1 3 259.325 -0.360 20 0 CBADHO CC(C)(O)CN1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000639357058 357569614 /nfs/dbraw/zinc/56/96/14/357569614.db2.gz KUAMQQMXGOMJDQ-AWEZNQCLSA-N 1 3 285.432 -0.122 20 0 CBADHO CC(C)(O)C[NH+]1CCC(NCCN2CC[C@H](O)C2)CC1 ZINC000639357058 357569618 /nfs/dbraw/zinc/56/96/18/357569618.db2.gz KUAMQQMXGOMJDQ-AWEZNQCLSA-N 1 3 285.432 -0.122 20 0 CBADHO [NH3+]CC1(NC(=O)C[C@@H]2CSCCN2)CCOCC1 ZINC000638634649 357513970 /nfs/dbraw/zinc/51/39/70/357513970.db2.gz SYALHIUVZLCIBG-SNVBAGLBSA-N 1 3 273.402 -0.294 20 0 CBADHO [NH3+]CCCOCCNC(=O)C[C@@H]1CSCCN1 ZINC000638663323 357518100 /nfs/dbraw/zinc/51/81/00/357518100.db2.gz LUTSINXOAUVXRV-SNVBAGLBSA-N 1 3 261.391 -0.437 20 0 CBADHO COC[C@@]1(C(=O)NCCOCCC[NH3+])CCCCN1 ZINC000638664526 357518145 /nfs/dbraw/zinc/51/81/45/357518145.db2.gz OSKCUCHIWPXTIY-CYBMUJFWSA-N 1 3 273.377 -0.373 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674317 357519308 /nfs/dbraw/zinc/51/93/08/357519308.db2.gz IDDJBAVIHQUGRZ-RISCZKNCSA-N 1 3 287.404 -0.047 20 0 CBADHO [NH3+][C@H]1CCCCCN(C(=O)CN2CCNCC2)C1 ZINC000638829579 357535089 /nfs/dbraw/zinc/53/50/89/357535089.db2.gz LLBZRHJKMSDTPA-LBPRGKRZSA-N 1 3 254.378 -0.379 20 0 CBADHO CC(C)(O)CN1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000638842678 357535635 /nfs/dbraw/zinc/53/56/35/357535635.db2.gz YGBHKKGFDSIZQQ-UHFFFAOYSA-N 1 3 299.415 -0.330 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638933712 357546235 /nfs/dbraw/zinc/54/62/35/357546235.db2.gz ZDMZJLCCVQMHEX-STQMWFEESA-N 1 3 287.404 -0.081 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CNCCO2)CC1 ZINC000638943763 357546788 /nfs/dbraw/zinc/54/67/88/357546788.db2.gz VGLUBDFOSBTWSA-SRVKXCTJSA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020173 357553049 /nfs/dbraw/zinc/55/30/49/357553049.db2.gz DHPIFDLQDGNBMD-BZPMIXESSA-N 1 3 296.415 -0.314 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639022851 357554344 /nfs/dbraw/zinc/55/43/44/357554344.db2.gz RBUKIRYYYQEGSS-STQMWFEESA-N 1 3 266.389 -0.508 20 0 CBADHO CN(C)C[C@@]1(O)CCC[N@H+](CCN2CCOCC2)C1 ZINC000639761040 357595568 /nfs/dbraw/zinc/59/55/68/357595568.db2.gz FELMUERQVGGKFO-AWEZNQCLSA-N 1 3 271.405 -0.293 20 0 CBADHO CN(C)C[C@@]1(O)CCC[N@@H+](CCN2CCOCC2)C1 ZINC000639761040 357595573 /nfs/dbraw/zinc/59/55/73/357595573.db2.gz FELMUERQVGGKFO-AWEZNQCLSA-N 1 3 271.405 -0.293 20 0 CBADHO C[NH+](C)C[C@]1(O)CCCN(CC[C@H]2CCNC2=O)C1 ZINC000639769284 357597356 /nfs/dbraw/zinc/59/73/56/357597356.db2.gz XHWBTFOHPXVOKT-TZMCWYRMSA-N 1 3 269.389 -0.099 20 0 CBADHO C[NH+](C)C[C@]1(O)CCCN(CC[C@@H]2CCNC2=O)C1 ZINC000639769278 357597591 /nfs/dbraw/zinc/59/75/91/357597591.db2.gz XHWBTFOHPXVOKT-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCC(C)(C)[NH3+] ZINC000641806718 357743850 /nfs/dbraw/zinc/74/38/50/357743850.db2.gz QGSUKZVDPJGRGJ-UHFFFAOYSA-N 1 3 251.396 -0.015 20 0 CBADHO CC1(C)[C@H](NCCC(=O)N2CCNCC2)C[C@@H]1[NH3+] ZINC000641802092 357744258 /nfs/dbraw/zinc/74/42/58/357744258.db2.gz HWMUYBRAZWIMPX-WDEREUQCSA-N 1 3 254.378 -0.476 20 0 CBADHO CC1(C)[C@H]([NH2+]CCC(=O)N2CCNCC2)C[C@@H]1N ZINC000641802092 357744263 /nfs/dbraw/zinc/74/42/63/357744263.db2.gz HWMUYBRAZWIMPX-WDEREUQCSA-N 1 3 254.378 -0.476 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000642084413 357750074 /nfs/dbraw/zinc/75/00/74/357750074.db2.gz VNKJLANGNGNITQ-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000642439382 357754399 /nfs/dbraw/zinc/75/43/99/357754399.db2.gz DJIZJGFLFCOHAK-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642403970 357754484 /nfs/dbraw/zinc/75/44/84/357754484.db2.gz NXWRAQGXFANTLK-YPMHNXCESA-N 1 3 294.399 -0.593 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642403967 357754582 /nfs/dbraw/zinc/75/45/82/357754582.db2.gz NXWRAQGXFANTLK-AAEUAGOBSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000642439771 357755311 /nfs/dbraw/zinc/75/53/11/357755311.db2.gz OQWXXIDJQHDBEX-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000642439551 357755636 /nfs/dbraw/zinc/75/56/36/357755636.db2.gz LUBAMSWMQQRQQF-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642439562 357755751 /nfs/dbraw/zinc/75/57/51/357755751.db2.gz MCKAZWPGZUHHQP-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000642698786 357759147 /nfs/dbraw/zinc/75/91/47/357759147.db2.gz PZOSRZMDYMJCSO-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000642732137 357760582 /nfs/dbraw/zinc/76/05/82/357760582.db2.gz FCCHEUXBPOHERP-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N(C)C1CC1 ZINC000642773304 357761234 /nfs/dbraw/zinc/76/12/34/357761234.db2.gz LRGJDVQIOKZMKS-SNVBAGLBSA-N 1 3 282.388 -0.547 20 0 CBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642786033 357762329 /nfs/dbraw/zinc/76/23/29/357762329.db2.gz XWVFNKUCGIZXOC-OLZOCXBDSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)[NH+](CCCNC(=O)C(=O)NC1CNC1)C(C)C ZINC000642787372 357762567 /nfs/dbraw/zinc/76/25/67/357762567.db2.gz DVUWUYPHIUPQBA-UHFFFAOYSA-N 1 3 284.404 -0.301 20 0 CBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642786032 357762694 /nfs/dbraw/zinc/76/26/94/357762694.db2.gz XWVFNKUCGIZXOC-CHWSQXEVSA-N 1 3 294.399 -0.545 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785666 357762703 /nfs/dbraw/zinc/76/27/03/357762703.db2.gz CJQYMWLIZDVBLC-QWHCGFSZSA-N 1 3 294.399 -0.463 20 0 CBADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785635 357762711 /nfs/dbraw/zinc/76/27/11/357762711.db2.gz ALMHKEZSHVJXPW-ZDUSSCGKSA-N 1 3 294.399 -0.545 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785719 357762763 /nfs/dbraw/zinc/76/27/63/357762763.db2.gz FBZGZOXSBGVREV-LBPRGKRZSA-N 1 3 282.388 -0.687 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642801210 357763651 /nfs/dbraw/zinc/76/36/51/357763651.db2.gz FORAXKVKIVIXJG-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903645 357765905 /nfs/dbraw/zinc/76/59/05/357765905.db2.gz MROAWFAEISGABD-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642911173 357768213 /nfs/dbraw/zinc/76/82/13/357768213.db2.gz XNQYTSOFVRRUQI-NSHDSACASA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642910501 357768418 /nfs/dbraw/zinc/76/84/18/357768418.db2.gz HPSRGBCDOGEFAX-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642910828 357768770 /nfs/dbraw/zinc/76/87/70/357768770.db2.gz PBZXQMPEJDLSAL-TUAOUCFPSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918477 357770273 /nfs/dbraw/zinc/77/02/73/357770273.db2.gz WKAMOEYSOGNSMP-UHFFFAOYSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000643592637 357791068 /nfs/dbraw/zinc/79/10/68/357791068.db2.gz RRPARDAHDQBPEV-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CN ZINC000643593263 357791336 /nfs/dbraw/zinc/79/13/36/357791336.db2.gz UCGJJUQLAFLICS-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419576283 283385264 /nfs/dbraw/zinc/38/52/64/283385264.db2.gz BVXRYKWXXRDFEO-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO O=C([C@@H]1CCCCN1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563714 296009112 /nfs/dbraw/zinc/00/91/12/296009112.db2.gz MDLIOXPBSHQIBS-OLZOCXBDSA-N 1 3 266.389 -0.365 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ncn(C)n1 ZINC000534343960 283643338 /nfs/dbraw/zinc/64/33/38/283643338.db2.gz FHKIDZFNVXIZAP-UHFFFAOYSA-N 1 3 297.407 -0.550 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494418 541320378 /nfs/dbraw/zinc/32/03/78/541320378.db2.gz OQVWBSMMRBSRLB-SGMGOOAPSA-N 1 3 261.373 -0.024 20 0 CBADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973501 296072007 /nfs/dbraw/zinc/07/20/07/296072007.db2.gz CJKWUIOLBDGFKV-AGIUHOORSA-N 1 3 267.373 -0.204 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000576585164 335222342 /nfs/dbraw/zinc/22/23/42/335222342.db2.gz RQGZPTVXZGUNJW-CABCVRRESA-N 1 3 285.432 -0.122 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000574340143 335012487 /nfs/dbraw/zinc/01/24/87/335012487.db2.gz WFKVYGLXVOIFGR-KXNHARMFSA-N 1 3 280.372 -0.855 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCNCC2)CCCC1 ZINC000331608187 204007933 /nfs/dbraw/zinc/00/79/33/204007933.db2.gz JWBWLXXPNIVMRM-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CNC(=O)NC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344031802 217018560 /nfs/dbraw/zinc/01/85/60/217018560.db2.gz CYSZVBSJEANSFA-UHFFFAOYSA-N 1 3 287.408 -0.743 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000125144168 372796103 /nfs/dbraw/zinc/79/61/03/372796103.db2.gz KWJGGHHKIDWDNK-ZDUSSCGKSA-N 1 3 290.408 -0.824 20 0 CBADHO C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000157308944 372808412 /nfs/dbraw/zinc/80/84/12/372808412.db2.gz XLYYMNIGQORCQE-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000157308944 372808420 /nfs/dbraw/zinc/80/84/20/372808420.db2.gz XLYYMNIGQORCQE-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC1=O ZINC000158175276 372809437 /nfs/dbraw/zinc/80/94/37/372809437.db2.gz YAOMPFKKGNVBIW-VXGBXAGGSA-N 1 3 282.388 -0.654 20 0 CBADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000158207617 372811002 /nfs/dbraw/zinc/81/10/02/372811002.db2.gz WPJFPYYDXSUODB-WFASDCNBSA-N 1 3 298.431 -0.114 20 0 CBADHO CO[C@@H](CN)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000353467470 220100558 /nfs/dbraw/zinc/10/05/58/220100558.db2.gz LJAHQIHRIIASRO-LBPRGKRZSA-N 1 3 255.362 -0.049 20 0 CBADHO O[C@H](C[NH2+]CCN1CCC(O)CC1)CN1CCCC1 ZINC000321414579 372969356 /nfs/dbraw/zinc/96/93/56/372969356.db2.gz USZSBGNFANGLKV-CQSZACIVSA-N 1 3 271.405 -0.511 20 0 CBADHO C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N(C)C1CC1 ZINC000333458115 205338242 /nfs/dbraw/zinc/33/82/42/205338242.db2.gz YPZVJYJTMQDVAM-USWWRNFRSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000351839696 373100542 /nfs/dbraw/zinc/10/05/42/373100542.db2.gz LOUAYYRQDPOZSN-YNEHKIRRSA-N 1 3 296.415 -0.408 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352778433 373107901 /nfs/dbraw/zinc/10/79/01/373107901.db2.gz KTVGPYCQXNCUON-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO CNC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358499433 373171734 /nfs/dbraw/zinc/17/17/34/373171734.db2.gz OHJGHDYTMIGMFC-UHFFFAOYSA-N 1 3 254.334 -0.483 20 0 CBADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000359200737 373175159 /nfs/dbraw/zinc/17/51/59/373175159.db2.gz GXJRCDWQWQJJHN-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@H]2N)cn1 ZINC000333618703 205510466 /nfs/dbraw/zinc/51/04/66/205510466.db2.gz TVIPAHASHNYNGR-OBPIAQAESA-N 1 3 290.371 -0.926 20 0 CBADHO CC(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)S(C)(=O)=O ZINC000361107204 373263311 /nfs/dbraw/zinc/26/33/11/373263311.db2.gz JSIDOENSWVMNAB-DVVUODLYSA-N 1 3 274.386 -0.076 20 0 CBADHO CC[NH+]1CCC(NC(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361554487 373306212 /nfs/dbraw/zinc/30/62/12/373306212.db2.gz TVIJKFNBDPJEOP-HNNXBMFYSA-N 1 3 296.415 -0.216 20 0 CBADHO COCCNCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361710983 373326939 /nfs/dbraw/zinc/32/69/39/373326939.db2.gz ONGAZPAERMPWJA-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO COCCNCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000361710983 373326943 /nfs/dbraw/zinc/32/69/43/373326943.db2.gz ONGAZPAERMPWJA-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO CCC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600694 220182788 /nfs/dbraw/zinc/18/27/88/220182788.db2.gz XNXIUCFRTHEVBV-RYUDHWBXSA-N 1 3 284.404 -0.183 20 0 CBADHO CCC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600694 220182790 /nfs/dbraw/zinc/18/27/90/220182790.db2.gz XNXIUCFRTHEVBV-RYUDHWBXSA-N 1 3 284.404 -0.183 20 0 CBADHO CC(C)[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599583 220184116 /nfs/dbraw/zinc/18/41/16/220184116.db2.gz TZEMAHHVMPEYAQ-NEPJUHHUSA-N 1 3 284.404 -0.327 20 0 CBADHO CC(C)[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599583 220184119 /nfs/dbraw/zinc/18/41/19/220184119.db2.gz TZEMAHHVMPEYAQ-NEPJUHHUSA-N 1 3 284.404 -0.327 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599588 220184484 /nfs/dbraw/zinc/18/44/84/220184484.db2.gz TZEMAHHVMPEYAQ-VXGBXAGGSA-N 1 3 284.404 -0.327 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353599588 220184486 /nfs/dbraw/zinc/18/44/86/220184486.db2.gz TZEMAHHVMPEYAQ-VXGBXAGGSA-N 1 3 284.404 -0.327 20 0 CBADHO C[NH+]1CCC(CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000362069953 373364824 /nfs/dbraw/zinc/36/48/24/373364824.db2.gz WEGSHKWDMAFYFL-CQSZACIVSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868559 373457674 /nfs/dbraw/zinc/45/76/74/373457674.db2.gz QFRRDAWNTQQXIM-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868559 373457679 /nfs/dbraw/zinc/45/76/79/373457679.db2.gz QFRRDAWNTQQXIM-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000365334679 373523693 /nfs/dbraw/zinc/52/36/93/373523693.db2.gz RQEHBQOXBRMMRV-WCBMZHEXSA-N 1 3 263.345 -0.217 20 0 CBADHO CN(CC(=O)NC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367620304 373537357 /nfs/dbraw/zinc/53/73/57/373537357.db2.gz YIRWYGRKTZGJQF-LBPRGKRZSA-N 1 3 297.403 -0.718 20 0 CBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000378639859 373577909 /nfs/dbraw/zinc/57/79/09/373577909.db2.gz HCPHIIATNHZZHT-CQSZACIVSA-N 1 3 280.416 -0.167 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417437001 373628054 /nfs/dbraw/zinc/62/80/54/373628054.db2.gz GAUYMIZFVYIXDL-QWHCGFSZSA-N 1 3 284.404 -0.185 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417448053 373628301 /nfs/dbraw/zinc/62/83/01/373628301.db2.gz SRYCLNCTKPQHTF-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417448053 373628311 /nfs/dbraw/zinc/62/83/11/373628311.db2.gz SRYCLNCTKPQHTF-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417442173 373628630 /nfs/dbraw/zinc/62/86/30/373628630.db2.gz SPKYERWKECOAFD-NWDGAFQWSA-N 1 3 272.393 -0.138 20 0 CBADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C1CC1 ZINC000418405947 373631819 /nfs/dbraw/zinc/63/18/19/373631819.db2.gz RTNDMBUQXPXNSB-QWHCGFSZSA-N 1 3 284.404 -0.130 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419024903 373635029 /nfs/dbraw/zinc/63/50/29/373635029.db2.gz LGUSZYKCAFWJGZ-AGIUHOORSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1CCCN(C(=O)C(=O)NCCN(C)C2CC2)[C@H]1C[NH3+] ZINC000419097554 373635315 /nfs/dbraw/zinc/63/53/15/373635315.db2.gz GANOCSQGQDGDAH-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419412066 373638087 /nfs/dbraw/zinc/63/80/87/373638087.db2.gz QLCZTSSZKDZJTP-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419697464 373640944 /nfs/dbraw/zinc/64/09/44/373640944.db2.gz QRVYOISSEHWVQX-VXGBXAGGSA-N 1 3 294.399 -0.402 20 0 CBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419830812 373641723 /nfs/dbraw/zinc/64/17/23/373641723.db2.gz GWRVDPUOIIDJAP-TXEJJXNPSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000420109725 373648085 /nfs/dbraw/zinc/64/80/85/373648085.db2.gz DSXBQVFIEJZVFS-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2COC[C@H]2O)CC1 ZINC000463080929 373695098 /nfs/dbraw/zinc/69/50/98/373695098.db2.gz AQLJPSWFSMFTMK-MRVWCRGKSA-N 1 3 272.389 -0.229 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000516285753 373807717 /nfs/dbraw/zinc/80/77/17/373807717.db2.gz YGNVSCQHRIEEQS-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000520205852 373828278 /nfs/dbraw/zinc/82/82/78/373828278.db2.gz QRTHWFICNSPJJM-UHFFFAOYSA-N 1 3 268.361 -0.983 20 0 CBADHO O=C(C[C@@H]1CSCCN1)NC[C@@H]1C[NH2+]CCCO1 ZINC000520228437 373830319 /nfs/dbraw/zinc/83/03/19/373830319.db2.gz MAFLZMOEZAVCRE-MNOVXSKESA-N 1 3 273.402 -0.424 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CNC2)CCCCCC1 ZINC000515523881 373790691 /nfs/dbraw/zinc/79/06/91/373790691.db2.gz TUKHDDDRKIWQRP-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529343601 374008190 /nfs/dbraw/zinc/00/81/90/374008190.db2.gz QFFWQPHQOXIBAJ-WDEREUQCSA-N 1 3 268.361 -0.441 20 0 CBADHO CC(C)[C@H]1CNCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000529346329 374008620 /nfs/dbraw/zinc/00/86/20/374008620.db2.gz ZGMGWKRLIUAWKO-NWDGAFQWSA-N 1 3 270.377 -0.386 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](CN)C1 ZINC000529347346 374008977 /nfs/dbraw/zinc/00/89/77/374008977.db2.gz CKYROCGWOICMMI-VXGBXAGGSA-N 1 3 281.404 -0.445 20 0 CBADHO CC(=O)NCC(=O)N1CCCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000530231708 374068604 /nfs/dbraw/zinc/06/86/04/374068604.db2.gz KYUWVRLTBUDHCV-CQSZACIVSA-N 1 3 296.415 -0.344 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000550416559 374233849 /nfs/dbraw/zinc/23/38/49/374233849.db2.gz JKLJTPKLZXFJDS-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC[NH2+]C1 ZINC000566496746 374331086 /nfs/dbraw/zinc/33/10/86/374331086.db2.gz TXJNDUNVXVJGHZ-GYSYKLTISA-N 1 3 280.372 -0.854 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H](CN)C1 ZINC000583311917 374361717 /nfs/dbraw/zinc/36/17/17/374361717.db2.gz HPZSDJCLNMAQGJ-RWMBFGLXSA-N 1 3 283.420 -0.212 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000583321309 374361748 /nfs/dbraw/zinc/36/17/48/374361748.db2.gz ZGKRIUQTKNAVEL-LLVKDONJSA-N 1 3 268.361 -0.933 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000583493595 374362758 /nfs/dbraw/zinc/36/27/58/374362758.db2.gz KDBIBGOMPWBUOO-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000584459541 374373532 /nfs/dbraw/zinc/37/35/32/374373532.db2.gz UDYCHGHNLWXOCR-ZDUSSCGKSA-N 1 3 285.436 -0.127 20 0 CBADHO CN(CC[NH3+])C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000574518263 335025892 /nfs/dbraw/zinc/02/58/92/335025892.db2.gz ZDERBBLSHAVQPC-OPQQBVKSSA-N 1 3 255.362 -0.064 20 0 CBADHO CN(CC[NH3+])C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000574518264 335025992 /nfs/dbraw/zinc/02/59/92/335025992.db2.gz ZDERBBLSHAVQPC-OUJBWJOFSA-N 1 3 255.362 -0.064 20 0 CBADHO C[C@H](C[NH2+]C[C@H](O)CN(C)C1CC1)CN1CCN(C)CC1 ZINC000644562664 374594817 /nfs/dbraw/zinc/59/48/17/374594817.db2.gz CQGOOFIASMIXEX-ZBFHGGJFSA-N 1 3 298.475 -0.085 20 0 CBADHO CN1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000644556620 374594880 /nfs/dbraw/zinc/59/48/80/374594880.db2.gz HQDWBSKLKPKULI-HOTGVXAUSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000644556620 374594886 /nfs/dbraw/zinc/59/48/86/374594886.db2.gz HQDWBSKLKPKULI-HOTGVXAUSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000644556620 374594891 /nfs/dbraw/zinc/59/48/91/374594891.db2.gz HQDWBSKLKPKULI-HOTGVXAUSA-N 1 3 296.459 -0.331 20 0 CBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602936 374600829 /nfs/dbraw/zinc/60/08/29/374600829.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602936 374600837 /nfs/dbraw/zinc/60/08/37/374600837.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602936 374600844 /nfs/dbraw/zinc/60/08/44/374600844.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 1 3 271.405 -0.250 20 0 CBADHO COC[C@]1(C(=O)NCCN2CCC(OC)CC2)CC[NH2+]C1 ZINC000646180759 374751222 /nfs/dbraw/zinc/75/12/22/374751222.db2.gz AECNEAIWHQCEHH-HNNXBMFYSA-N 1 3 299.415 -0.161 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CN(C)C)CC[N@@H+]1C ZINC000646210613 374758108 /nfs/dbraw/zinc/75/81/08/374758108.db2.gz ANAKWYNQSLBKGM-SRVKXCTJSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CN(C)C)CC[N@H+]1C ZINC000646210613 374758112 /nfs/dbraw/zinc/75/81/12/374758112.db2.gz ANAKWYNQSLBKGM-SRVKXCTJSA-N 1 3 257.378 -0.245 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645978113 374720467 /nfs/dbraw/zinc/72/04/67/374720467.db2.gz SEPFVSBMSBJIKZ-CYBMUJFWSA-N 1 3 298.431 -0.493 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645978113 374720469 /nfs/dbraw/zinc/72/04/69/374720469.db2.gz SEPFVSBMSBJIKZ-CYBMUJFWSA-N 1 3 298.431 -0.493 20 0 CBADHO CN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646116447 374741994 /nfs/dbraw/zinc/74/19/94/374741994.db2.gz WYQWDOYSNZOQTN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)COCC[NH3+] ZINC000646600997 374794226 /nfs/dbraw/zinc/79/42/26/374794226.db2.gz RLBHJYLIBADVFG-NSHDSACASA-N 1 3 267.329 -0.214 20 0 CBADHO [NH3+]C1(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)CCC1 ZINC000646803545 374817551 /nfs/dbraw/zinc/81/75/51/374817551.db2.gz FLMBJGRBPUFWEY-UHFFFAOYSA-N 1 3 279.348 -0.576 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000646851352 374827185 /nfs/dbraw/zinc/82/71/85/374827185.db2.gz UAFNUGBOISXXPP-LYFYHCNISA-N 1 3 255.240 -0.549 20 0 CBADHO CC1(C(=O)NCCCN2CCC(O)CC2)C[NH2+]C1 ZINC000646408015 374776293 /nfs/dbraw/zinc/77/62/93/374776293.db2.gz HVIBLRLITWJNGP-UHFFFAOYSA-N 1 3 255.362 -0.441 20 0 CBADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N(C)C ZINC000646427202 374777459 /nfs/dbraw/zinc/77/74/59/374777459.db2.gz SMUDNMAOJCLGHR-SECBINFHSA-N 1 3 254.338 -0.693 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646411128 374777656 /nfs/dbraw/zinc/77/76/56/374777656.db2.gz GRRGXWUEGKVBPU-LBPRGKRZSA-N 1 3 268.405 -0.262 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000646856511 374830416 /nfs/dbraw/zinc/83/04/16/374830416.db2.gz ISMYHTVUHQIZLS-QJPTWQEYSA-N 1 3 271.361 -0.670 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC[C@@H]1CCCO1 ZINC000647033522 374866223 /nfs/dbraw/zinc/86/62/23/374866223.db2.gz HEGBVHKORBNPFW-SRVKXCTJSA-N 1 3 273.352 -0.087 20 0 CBADHO COCC1(CNC(=O)C[C@@H]2CNCCO2)CC[NH2+]CC1 ZINC000647037942 374866596 /nfs/dbraw/zinc/86/65/96/374866596.db2.gz ILHOJWUSVBKMTO-GFCCVEGCSA-N 1 3 285.388 -0.503 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000647058146 374877262 /nfs/dbraw/zinc/87/72/62/374877262.db2.gz QGJJUJNJFFCLDF-DCAQKATOSA-N 1 3 296.350 -0.540 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)CCOC1CNC1)C(F)F ZINC000647072015 374879735 /nfs/dbraw/zinc/87/97/35/374879735.db2.gz MBVPQPYPNFIWKN-MRVPVSSYSA-N 1 3 251.277 -0.536 20 0 CBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000647087922 374884339 /nfs/dbraw/zinc/88/43/39/374884339.db2.gz WVOMFCJUVPPQBO-RYUDHWBXSA-N 1 3 292.387 -0.102 20 0 CBADHO C[C@H]([NH3+])CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000647022845 374863230 /nfs/dbraw/zinc/86/32/30/374863230.db2.gz HZZKPHINZKRLJE-MPXOCVNLSA-N 1 3 255.362 -0.018 20 0 CBADHO C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000576634780 335228598 /nfs/dbraw/zinc/22/85/98/335228598.db2.gz HZBFJTWBSWQTIY-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[NH3+] ZINC000574637117 335036054 /nfs/dbraw/zinc/03/60/54/335036054.db2.gz BLEKXDRFZAHHLK-UHFFFAOYSA-N 1 3 289.405 -0.701 20 0 CBADHO CN(CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000262345289 190053745 /nfs/dbraw/zinc/05/37/45/190053745.db2.gz GPGANFXLDIYIHU-UONOGXRCSA-N 1 3 277.368 -0.043 20 0 CBADHO CCN1CCC(NC(=O)CN(C)C2C[NH2+]C2)CC1 ZINC000357067597 248315314 /nfs/dbraw/zinc/31/53/14/248315314.db2.gz CUVVTWLFDHNNTL-UHFFFAOYSA-N 1 3 254.378 -0.510 20 0 CBADHO [NH3+]CCOCCN1CCCN(c2cccnn2)CC1 ZINC000357078944 248318494 /nfs/dbraw/zinc/31/84/94/248318494.db2.gz KOLGYABLVCLPEV-UHFFFAOYSA-N 1 3 265.361 -0.036 20 0 CBADHO C[C@H](C[NH3+])C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357240093 248337796 /nfs/dbraw/zinc/33/77/96/248337796.db2.gz JEWBFGBOFLASHH-NWDGAFQWSA-N 1 3 256.394 -0.419 20 0 CBADHO C[NH2+]CCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000357242713 248338414 /nfs/dbraw/zinc/33/84/14/248338414.db2.gz MYHDMIACBAQIGZ-UHFFFAOYSA-N 1 3 296.375 -0.891 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCOC1CNC1 ZINC000357314123 248351798 /nfs/dbraw/zinc/35/17/98/248351798.db2.gz LOZVYXDCCRATQE-BREBYQMCSA-N 1 3 255.362 -0.132 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419734796 284626260 /nfs/dbraw/zinc/62/62/60/284626260.db2.gz PLGQLAPJPUDZES-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419732938 284627339 /nfs/dbraw/zinc/62/73/39/284627339.db2.gz NFFDCZMIJYFGLI-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[C@@H]1CNCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653129002 412885291 /nfs/dbraw/zinc/88/52/91/412885291.db2.gz JFUMYPXVIYVCOQ-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CC(C)([NH3+])CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000347128238 218131656 /nfs/dbraw/zinc/13/16/56/218131656.db2.gz PDZCBWCIDKUMNR-GFCCVEGCSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574742846 335043700 /nfs/dbraw/zinc/04/37/00/335043700.db2.gz LFWBDUBXBCSLSM-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574742847 335043753 /nfs/dbraw/zinc/04/37/53/335043753.db2.gz LFWBDUBXBCSLSM-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574755017 335044750 /nfs/dbraw/zinc/04/47/50/335044750.db2.gz SFXBUUSGDBOCBD-XQQFMLRXSA-N 1 3 267.373 -0.177 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417756139 207562514 /nfs/dbraw/zinc/56/25/14/207562514.db2.gz RWMQSWOQPJYEII-GDNZZTSVSA-N 1 3 270.377 -0.528 20 0 CBADHO C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000418286190 207575446 /nfs/dbraw/zinc/57/54/46/207575446.db2.gz HHZYZRYYYRJMJV-STQMWFEESA-N 1 3 283.420 -0.327 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419835975 207740697 /nfs/dbraw/zinc/74/06/97/207740697.db2.gz BAHCHIPOLCXIGU-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)(C)C[NH+](C)C ZINC000419548528 207708677 /nfs/dbraw/zinc/70/86/77/207708677.db2.gz RLYZUGQXTVKOCO-JQWIXIFHSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1N(C)C ZINC000419930523 207763366 /nfs/dbraw/zinc/76/33/66/207763366.db2.gz BGTUTNJRQHIGRB-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C(N)C(F)(F)F ZINC000423798801 207943866 /nfs/dbraw/zinc/94/38/66/207943866.db2.gz PEPAWWRYZSTHGN-ZETCQYMHSA-N 1 3 257.256 -0.430 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@H]2N)cn1 ZINC000424248398 207979266 /nfs/dbraw/zinc/97/92/66/207979266.db2.gz XJWDEMTWNXOPKQ-QWHCGFSZSA-N 1 3 277.372 -0.327 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1C(=O)CNC1=O ZINC000427854454 208071607 /nfs/dbraw/zinc/07/16/07/208071607.db2.gz AVXBAKIMWCOKGH-VHSXEESVSA-N 1 3 254.334 -0.532 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1C(=O)CNC1=O ZINC000427854454 208071614 /nfs/dbraw/zinc/07/16/14/208071614.db2.gz AVXBAKIMWCOKGH-VHSXEESVSA-N 1 3 254.334 -0.532 20 0 CBADHO CCN1CCN(CCC(=O)NCCC[NH2+]C)CC1 ZINC000428124501 208079083 /nfs/dbraw/zinc/07/90/83/208079083.db2.gz KAMYFDQSAJPWJO-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CCN1CCN(CCC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000429037345 208108494 /nfs/dbraw/zinc/10/84/94/208108494.db2.gz XGTDHXUAODSJPB-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000429166892 208111231 /nfs/dbraw/zinc/11/12/31/208111231.db2.gz KDJQGWSZMMAMRY-VXGBXAGGSA-N 1 3 284.404 -0.504 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000429166890 208112745 /nfs/dbraw/zinc/11/27/45/208112745.db2.gz KDJQGWSZMMAMRY-RYUDHWBXSA-N 1 3 284.404 -0.504 20 0 CBADHO COCCNCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000430686870 208172416 /nfs/dbraw/zinc/17/24/16/208172416.db2.gz OBOHHSVJCPNWGT-GFCCVEGCSA-N 1 3 275.418 -0.224 20 0 CBADHO O=C(COC1CNC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430730697 208177528 /nfs/dbraw/zinc/17/75/28/208177528.db2.gz JXOQELKXQHHALJ-UHFFFAOYSA-N 1 3 297.399 -0.264 20 0 CBADHO C[NH2+]CCCC(=O)NCCCN1CCC(O)CC1 ZINC000430750631 208177959 /nfs/dbraw/zinc/17/79/59/208177959.db2.gz OVJVADZBYSUIOB-UHFFFAOYSA-N 1 3 257.378 -0.051 20 0 CBADHO CC(C)[C@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430757320 208178435 /nfs/dbraw/zinc/17/84/35/208178435.db2.gz WAWXXQVRBOLBMV-LBPRGKRZSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)COC2CNC2)CC[N@@H+]1C ZINC000430785685 208181951 /nfs/dbraw/zinc/18/19/51/208181951.db2.gz YHLFSTOBZJFYON-WDEREUQCSA-N 1 3 255.362 -0.084 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)COC2CNC2)CC[N@H+]1C ZINC000430785685 208181956 /nfs/dbraw/zinc/18/19/56/208181956.db2.gz YHLFSTOBZJFYON-WDEREUQCSA-N 1 3 255.362 -0.084 20 0 CBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430776697 208183101 /nfs/dbraw/zinc/18/31/01/208183101.db2.gz QQJJHGIQXPFBEP-CYBMUJFWSA-N 1 3 299.415 -0.066 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430878028 208186021 /nfs/dbraw/zinc/18/60/21/208186021.db2.gz LQBDDDJAWJCBPB-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCCN2)C1 ZINC000430882891 208188826 /nfs/dbraw/zinc/18/88/26/208188826.db2.gz AMQDAQDCVXHRCZ-QWHCGFSZSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCCN2)C1 ZINC000430882891 208188828 /nfs/dbraw/zinc/18/88/28/208188828.db2.gz AMQDAQDCVXHRCZ-QWHCGFSZSA-N 1 3 296.415 -0.168 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)COC2CNC2)CC1 ZINC000430912886 208189309 /nfs/dbraw/zinc/18/93/09/208189309.db2.gz PNYQJVOUFMOKOM-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)C[C@H]2CNCCO2)CC1 ZINC000430907548 208190104 /nfs/dbraw/zinc/19/01/04/208190104.db2.gz DZTZAVDGZAJKPY-AWEZNQCLSA-N 1 3 299.415 -0.018 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000431003603 208195704 /nfs/dbraw/zinc/19/57/04/208195704.db2.gz PMLWTVJMFWUTHW-LBPRGKRZSA-N 1 3 288.461 -0.180 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[NH2+][C@H](C)C2)CC1 ZINC000430969496 208197058 /nfs/dbraw/zinc/19/70/58/208197058.db2.gz DDZLOONZHFAAPE-GFCCVEGCSA-N 1 3 268.405 -0.119 20 0 CBADHO C[NH+]1CCC(CCNC(=O)COC2CNC2)CC1 ZINC000431059639 208200990 /nfs/dbraw/zinc/20/09/90/208200990.db2.gz COERTAKILHOJRJ-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000441616569 208351511 /nfs/dbraw/zinc/35/15/11/208351511.db2.gz UMRVIWQQISUXDC-GFCCVEGCSA-N 1 3 256.394 -0.275 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1CN ZINC000574862099 335053053 /nfs/dbraw/zinc/05/30/53/335053053.db2.gz CPPMGIVNBIHIDX-NWDGAFQWSA-N 1 3 271.409 -0.356 20 0 CBADHO CCN1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334958504 285214404 /nfs/dbraw/zinc/21/44/04/285214404.db2.gz WTXKHVSWBJYDJU-GDNZZTSVSA-N 1 3 252.362 -0.059 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(N)=O ZINC000338095112 285276454 /nfs/dbraw/zinc/27/64/54/285276454.db2.gz VDXMAHQYJNJJEX-LBPRGKRZSA-N 1 3 299.419 -0.471 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(N)=O ZINC000338095112 285276455 /nfs/dbraw/zinc/27/64/55/285276455.db2.gz VDXMAHQYJNJJEX-LBPRGKRZSA-N 1 3 299.419 -0.471 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353450542 285332117 /nfs/dbraw/zinc/33/21/17/285332117.db2.gz OMTBQCAJGUNOBV-NWDGAFQWSA-N 1 3 272.393 -0.898 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(N)=O)CC1 ZINC000105861992 287086632 /nfs/dbraw/zinc/08/66/32/287086632.db2.gz OGMONRTZDITQTC-MNOVXSKESA-N 1 3 257.378 -0.115 20 0 CBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332092149 287218814 /nfs/dbraw/zinc/21/88/14/287218814.db2.gz BSQMQVNRZAVKMZ-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000368617144 292558582 /nfs/dbraw/zinc/55/85/82/292558582.db2.gz YLYOFDNVZHXWMF-TUAOUCFPSA-N 1 3 255.362 -0.192 20 0 CBADHO COCCNCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369167671 292563055 /nfs/dbraw/zinc/56/30/55/292563055.db2.gz PFPKIEVRRVHNID-DGCLKSJQSA-N 1 3 255.362 -0.272 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662747177 413991247 /nfs/dbraw/zinc/99/12/47/413991247.db2.gz UMGFQEZKQDMJQG-UTUOFQBUSA-N 1 3 255.362 -0.192 20 0 CBADHO COC1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662746781 413991793 /nfs/dbraw/zinc/99/17/93/413991793.db2.gz NYZZVAFYQCVRGH-XYPYZODXSA-N 1 3 255.362 -0.049 20 0 CBADHO N[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662749099 413991904 /nfs/dbraw/zinc/99/19/04/413991904.db2.gz KDNWUNKFDUAZCE-MXWKQRLJSA-N 1 3 286.351 -0.858 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662754119 413992270 /nfs/dbraw/zinc/99/22/70/413992270.db2.gz DMZOPIWXBFLRBJ-IXOXFDKPSA-N 1 3 267.373 -0.051 20 0 CBADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900536 414059558 /nfs/dbraw/zinc/05/95/58/414059558.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900536 414059568 /nfs/dbraw/zinc/05/95/68/414059568.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 1 3 268.405 -0.040 20 0 CBADHO CN(CCc1cnn(C)c1)CCN1CC[NH2+]CC1 ZINC000226420407 544493167 /nfs/dbraw/zinc/49/31/67/544493167.db2.gz XRWXURKZOUFKDX-UHFFFAOYSA-N 1 3 251.378 -0.200 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000155462503 544470321 /nfs/dbraw/zinc/47/03/21/544470321.db2.gz DBLFYKSVZDQCRP-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CC(C)C[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236711702 544506331 /nfs/dbraw/zinc/50/63/31/544506331.db2.gz UDAZOJIVMCXEFZ-GFCCVEGCSA-N 1 3 256.394 -0.229 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC1=O ZINC000237162210 544508570 /nfs/dbraw/zinc/50/85/70/544508570.db2.gz HIPOILFMJFCVFN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037631642 419414501 /nfs/dbraw/zinc/41/45/01/419414501.db2.gz QDGCCLRCNYENGY-STQMWFEESA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037631642 419414510 /nfs/dbraw/zinc/41/45/10/419414510.db2.gz QDGCCLRCNYENGY-STQMWFEESA-N 1 3 266.389 -0.365 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)CN1CCNCC1 ZINC000041680121 419420728 /nfs/dbraw/zinc/42/07/28/419420728.db2.gz JWPROKJJLKWLGA-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CN(C)C2)C1 ZINC000660704508 419427816 /nfs/dbraw/zinc/42/78/16/419427816.db2.gz OXMNIICQMGGDKX-CYBMUJFWSA-N 1 3 284.404 -0.090 20 0 CBADHO COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC2CN(C)C2)C1 ZINC000660704508 419427823 /nfs/dbraw/zinc/42/78/23/419427823.db2.gz OXMNIICQMGGDKX-CYBMUJFWSA-N 1 3 284.404 -0.090 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N[C@H]1CCN(C2CC2)C1 ZINC000044680849 419428293 /nfs/dbraw/zinc/42/82/93/419428293.db2.gz HWYSCADKTJFKAG-NSHDSACASA-N 1 3 252.362 -0.756 20 0 CBADHO C[C@H](CNC(=O)CN1CCNCC1)C[NH+]1CCCC1 ZINC000062073795 419460596 /nfs/dbraw/zinc/46/05/96/419460596.db2.gz MSNBUCCYUNEALR-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)n1 ZINC000638088772 419525038 /nfs/dbraw/zinc/52/50/38/419525038.db2.gz KBJBASWENSNGJG-AWEZNQCLSA-N 1 3 295.387 0.139 20 0 CBADHO CCN[C@H](C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000638088292 419525894 /nfs/dbraw/zinc/52/58/94/419525894.db2.gz FIKBNHZIKLRGSQ-SNVBAGLBSA-N 1 3 253.350 0.381 20 0 CBADHO CN(C)CCn1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)n1 ZINC000638088180 419526176 /nfs/dbraw/zinc/52/61/76/419526176.db2.gz DAAGMACEVNHENH-LLVKDONJSA-N 1 3 263.345 0.431 20 0 CBADHO CN(C[C@@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150680 419549532 /nfs/dbraw/zinc/54/95/32/419549532.db2.gz ACHBBNZUTMXBBI-HZPDHXFCSA-N 1 3 297.443 -0.028 20 0 CBADHO CN(C[C@@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150680 419549540 /nfs/dbraw/zinc/54/95/40/419549540.db2.gz ACHBBNZUTMXBBI-HZPDHXFCSA-N 1 3 297.443 -0.028 20 0 CBADHO Cn1ccnc1[C@H]1CNCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662274299 419568372 /nfs/dbraw/zinc/56/83/72/419568372.db2.gz UPMPNHAJVSQHCI-CHWSQXEVSA-N 1 3 291.399 -0.113 20 0 CBADHO CCN1CC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662244505 419558838 /nfs/dbraw/zinc/55/88/38/419558838.db2.gz RAFGYSHIIASIGT-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256805 419564279 /nfs/dbraw/zinc/56/42/79/419564279.db2.gz KSXNYBZKYMQUKN-WOPDTQHZSA-N 1 3 265.357 -0.140 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCN(C)C1 ZINC000126232771 419495689 /nfs/dbraw/zinc/49/56/89/419495689.db2.gz ISWKAIUSKPKGGJ-JQWIXIFHSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662259334 419569603 /nfs/dbraw/zinc/56/96/03/419569603.db2.gz VDOCUWHQXKEXFG-QWRGUYRKSA-N 1 3 255.362 -0.179 20 0 CBADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662259334 419569617 /nfs/dbraw/zinc/56/96/17/419569617.db2.gz VDOCUWHQXKEXFG-QWRGUYRKSA-N 1 3 255.362 -0.179 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000236838071 419572749 /nfs/dbraw/zinc/57/27/49/419572749.db2.gz PUBPENMDAHRMFW-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CCS(=O)(=O)NCCCNC1(CO)CC[NH2+]CC1 ZINC000662282944 419574436 /nfs/dbraw/zinc/57/44/36/419574436.db2.gz FCRFLMZWEAMKBB-UHFFFAOYSA-N 1 3 279.406 -0.980 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281120 419574869 /nfs/dbraw/zinc/57/48/69/419574869.db2.gz SZZKYNCOCKSPKI-NSHDSACASA-N 1 3 270.377 -0.290 20 0 CBADHO [NH3+]C[C@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCCO1 ZINC000662283030 419575806 /nfs/dbraw/zinc/57/58/06/419575806.db2.gz ZQCINTITQDDMLL-RYUDHWBXSA-N 1 3 255.362 -0.443 20 0 CBADHO CN(C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237149009 419576000 /nfs/dbraw/zinc/57/60/00/419576000.db2.gz XVNSRKWZIMMUCS-RBSFLKMASA-N 1 3 291.395 -0.002 20 0 CBADHO OCC1(NCCCN2CCOCC2)CC[NH2+]CC1 ZINC000662287260 419576504 /nfs/dbraw/zinc/57/65/04/419576504.db2.gz XHYGYYOTWIFFBQ-UHFFFAOYSA-N 1 3 257.378 -0.587 20 0 CBADHO C[NH2+]CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000237221653 419577674 /nfs/dbraw/zinc/57/76/74/419577674.db2.gz NDTCKWMBOUVXIS-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO COCC[NH2+]C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662286529 419578325 /nfs/dbraw/zinc/57/83/25/419578325.db2.gz QAVGZNMTNRCGAI-CYBMUJFWSA-N 1 3 257.378 -0.325 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000662296609 419580968 /nfs/dbraw/zinc/58/09/68/419580968.db2.gz TZDMDVMBHVIXHM-NEPJUHHUSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296609 419580973 /nfs/dbraw/zinc/58/09/73/419580973.db2.gz TZDMDVMBHVIXHM-NEPJUHHUSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296609 419580982 /nfs/dbraw/zinc/58/09/82/419580982.db2.gz TZDMDVMBHVIXHM-NEPJUHHUSA-N 1 3 253.350 -0.430 20 0 CBADHO CN(C)C(=O)N(C)[C@@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC000662316208 419583353 /nfs/dbraw/zinc/58/33/53/419583353.db2.gz JHWOSFVDMOIDTM-CYBMUJFWSA-N 1 3 283.420 -0.421 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2CCC[C@H]([NH3+])C2)C1 ZINC000647482261 419592702 /nfs/dbraw/zinc/59/27/02/419592702.db2.gz RFXWWTOYCUAWOB-RYUDHWBXSA-N 1 3 254.378 -0.393 20 0 CBADHO CN(CCN1CCCS1(=O)=O)CC1CC[NH2+]CC1 ZINC000647371686 419593772 /nfs/dbraw/zinc/59/37/72/419593772.db2.gz WLDIIHJHPHXITJ-UHFFFAOYSA-N 1 3 275.418 -0.047 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)c1cccc2c1CNC2 ZINC000662400452 419595185 /nfs/dbraw/zinc/59/51/85/419595185.db2.gz XTVBALSQENLKEC-UHFFFAOYSA-N 1 3 274.368 -0.075 20 0 CBADHO NC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000647727147 419640246 /nfs/dbraw/zinc/64/02/46/419640246.db2.gz MZDDLUZEUPGWRQ-LLVKDONJSA-N 1 3 282.388 -0.429 20 0 CBADHO Cn1cc(CCN2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000311339332 419617998 /nfs/dbraw/zinc/61/79/98/419617998.db2.gz HMYKHNGQVIPIGM-CQSZACIVSA-N 1 3 263.389 -0.058 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000647595065 419619401 /nfs/dbraw/zinc/61/94/01/419619401.db2.gz LMNMSXAWJUUUCC-TUAOUCFPSA-N 1 3 296.415 -0.005 20 0 CBADHO Cc1cnn(CCN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000312336856 419625995 /nfs/dbraw/zinc/62/59/95/419625995.db2.gz KDAHSZYWBVWYNY-ZDUSSCGKSA-N 1 3 279.388 -0.022 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)[C@H](C)CN1 ZINC000662514189 419630016 /nfs/dbraw/zinc/63/00/16/419630016.db2.gz LDKKOUPKBFUWTH-RKDXNWHRSA-N 1 3 252.322 -0.941 20 0 CBADHO O=C([C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824830 419662937 /nfs/dbraw/zinc/66/29/37/419662937.db2.gz YYHCZJUOFSVXLE-KBPBESRZSA-N 1 3 280.416 -0.260 20 0 CBADHO CC1(OCC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CNC1 ZINC000647829477 419666296 /nfs/dbraw/zinc/66/62/96/419666296.db2.gz MKFLAOGYOHNKFV-QWRGUYRKSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCC[NH3+] ZINC000662658755 419669629 /nfs/dbraw/zinc/66/96/29/419669629.db2.gz DHFMCTIDOXKHGO-UHFFFAOYSA-N 1 3 258.366 -0.796 20 0 CBADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662660933 419672650 /nfs/dbraw/zinc/67/26/50/419672650.db2.gz ZWZPHNBFPRBTTR-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659203 419672761 /nfs/dbraw/zinc/67/27/61/419672761.db2.gz JIXUZHMZJOVZGP-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO CCN1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662663375 419674504 /nfs/dbraw/zinc/67/45/04/419674504.db2.gz DWJGFSCREVMCDQ-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662685880 419680989 /nfs/dbraw/zinc/68/09/89/419680989.db2.gz ZYHVHEBTHDMUHS-VXGBXAGGSA-N 1 3 273.377 -0.565 20 0 CBADHO CN(C)CCn1cc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cn1 ZINC000662701211 419688531 /nfs/dbraw/zinc/68/85/31/419688531.db2.gz MVJLTDNMZAIGEH-NWDGAFQWSA-N 1 3 281.360 -0.253 20 0 CBADHO CN(C)CCn1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cn1 ZINC000662701213 419688975 /nfs/dbraw/zinc/68/89/75/419688975.db2.gz MVJLTDNMZAIGEH-RYUDHWBXSA-N 1 3 281.360 -0.253 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000662702843 419695993 /nfs/dbraw/zinc/69/59/93/419695993.db2.gz NWBUVHYNCNTJQP-JLLWLGSASA-N 1 3 253.346 -0.297 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662712124 419696759 /nfs/dbraw/zinc/69/67/59/419696759.db2.gz RHFLVSKMGCRNRA-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662713327 419698540 /nfs/dbraw/zinc/69/85/40/419698540.db2.gz YWKWCKUUKIZZFT-JHJVBQTASA-N 1 3 285.388 -0.423 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000662719496 419701157 /nfs/dbraw/zinc/70/11/57/419701157.db2.gz DFYIUVHJIPFPES-XQQFMLRXSA-N 1 3 267.373 -0.049 20 0 CBADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(CCOCC[NH3+])C1 ZINC000647997500 419708135 /nfs/dbraw/zinc/70/81/35/419708135.db2.gz JDVPZYAXHZHPAN-SNVBAGLBSA-N 1 3 283.294 -0.038 20 0 CBADHO CNC(=O)[C@]1(C(F)(F)F)CCN(CCOCC[NH3+])C1 ZINC000647997499 419709256 /nfs/dbraw/zinc/70/92/56/419709256.db2.gz JDVPZYAXHZHPAN-JTQLQIEISA-N 1 3 283.294 -0.038 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)NCCCN1CCN(C)CC1 ZINC000662754320 419709869 /nfs/dbraw/zinc/70/98/69/419709869.db2.gz KVPWKAWIAACKPV-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769870 419650584 /nfs/dbraw/zinc/65/05/84/419650584.db2.gz NGIYGUFBKFECLG-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647779189 419654839 /nfs/dbraw/zinc/65/48/39/419654839.db2.gz VDTLFRTZJNHEOQ-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C)C[C@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000404904765 544588587 /nfs/dbraw/zinc/58/85/87/544588587.db2.gz FHTGAPGCFSFNNI-LLVKDONJSA-N 1 3 280.376 -0.207 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1COCCN1 ZINC000662632672 419660059 /nfs/dbraw/zinc/66/00/59/419660059.db2.gz SPCUDDMFWNXCJW-CYBMUJFWSA-N 1 3 286.420 -0.635 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000648106184 419729782 /nfs/dbraw/zinc/72/97/82/419729782.db2.gz JUWXSDJOOAGIJX-VIFPVBQESA-N 1 3 265.304 -0.417 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000648110750 419736675 /nfs/dbraw/zinc/73/66/75/419736675.db2.gz MDQJCWRQBQAISD-RKDXNWHRSA-N 1 3 263.288 -0.583 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123010 419739993 /nfs/dbraw/zinc/73/99/93/419739993.db2.gz GYQZFRDYOFAVAS-WZRBSPASSA-N 1 3 282.388 -0.704 20 0 CBADHO [NH3+]CCn1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)nn1 ZINC000662835725 419743888 /nfs/dbraw/zinc/74/38/88/419743888.db2.gz RVPGGLGRVAQFRF-AAEUAGOBSA-N 1 3 292.387 -0.017 20 0 CBADHO [NH3+]CCn1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)nn1 ZINC000662835727 419744095 /nfs/dbraw/zinc/74/40/95/419744095.db2.gz RVPGGLGRVAQFRF-WCQYABFASA-N 1 3 292.387 -0.017 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140123 419753134 /nfs/dbraw/zinc/75/31/34/419753134.db2.gz DWHBHLUFXWNTKV-JQWIXIFHSA-N 1 3 282.388 -0.656 20 0 CBADHO CC1(OCC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CNC1 ZINC000648147525 419755287 /nfs/dbraw/zinc/75/52/87/419755287.db2.gz NGZRPFJGEPXALS-GFCCVEGCSA-N 1 3 297.399 -0.421 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000431010485 544592850 /nfs/dbraw/zinc/59/28/50/544592850.db2.gz PMSZMLZMIHKWGX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCC[NH3+] ZINC000662941970 419787072 /nfs/dbraw/zinc/78/70/72/419787072.db2.gz GHUQEEMASDPRLN-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662942068 419787098 /nfs/dbraw/zinc/78/70/98/419787098.db2.gz CVFUCBVZSNNYHJ-UHFFFAOYSA-N 1 3 284.404 -0.265 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCCO1 ZINC000648177562 419770648 /nfs/dbraw/zinc/77/06/48/419770648.db2.gz HNIIKUBYDJIUAY-NXEZZACHSA-N 1 3 277.315 -0.193 20 0 CBADHO C[C@@H]1CN(C(=O)COC2(C)CNC2)C[C@@]1(C)C[NH3+] ZINC000648177313 419771274 /nfs/dbraw/zinc/77/12/74/419771274.db2.gz SDPYLSXATUMMDL-ZYHUDNBSSA-N 1 3 255.362 -0.192 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185676 419771641 /nfs/dbraw/zinc/77/16/41/419771641.db2.gz BKQWPQWLVSDELL-AAEUAGOBSA-N 1 3 296.415 -0.123 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662927561 419779629 /nfs/dbraw/zinc/77/96/29/419779629.db2.gz AEIBLTPJZDXPLP-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662929407 419780479 /nfs/dbraw/zinc/78/04/79/419780479.db2.gz FVXFXKBHMKNIRJ-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C)CC2)CC[N@@H+]1C ZINC000648803768 419807471 /nfs/dbraw/zinc/80/74/71/419807471.db2.gz GNYNATKSHDOYKL-VXGBXAGGSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C)CC2)CC[N@H+]1C ZINC000648803768 419807478 /nfs/dbraw/zinc/80/74/78/419807478.db2.gz GNYNATKSHDOYKL-VXGBXAGGSA-N 1 3 269.389 -0.101 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000518471631 544601521 /nfs/dbraw/zinc/60/15/21/544601521.db2.gz XBYLKIMXNUIVQO-KGLIPLIRSA-N 1 3 273.421 -0.191 20 0 CBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273748 419858889 /nfs/dbraw/zinc/85/88/89/419858889.db2.gz BQQHLQJDGMXDCA-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000649070054 419832833 /nfs/dbraw/zinc/83/28/33/419832833.db2.gz GPUJFHJMYRWWRE-NEPJUHHUSA-N 1 3 282.388 -0.484 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000649070054 419832835 /nfs/dbraw/zinc/83/28/35/419832835.db2.gz GPUJFHJMYRWWRE-NEPJUHHUSA-N 1 3 282.388 -0.484 20 0 CBADHO [NH3+]C[C@@H](C(=O)N1CCOC2(CNC2)C1)c1ccccc1 ZINC000663491545 419842177 /nfs/dbraw/zinc/84/21/77/419842177.db2.gz IOARXBDOQRIMAS-CYBMUJFWSA-N 1 3 275.352 -0.070 20 0 CBADHO CCN1CCN(CCC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649274630 419856423 /nfs/dbraw/zinc/85/64/23/419856423.db2.gz SGSYVVRVMKZRNV-ZIAGYGMSSA-N 1 3 298.431 -0.411 20 0 CBADHO C[C@H](NC(=O)[C@]1(N)CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314748 419879449 /nfs/dbraw/zinc/87/94/49/419879449.db2.gz OBWSADNAKSPXLL-FZMZJTMJSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761387 544615886 /nfs/dbraw/zinc/61/58/86/544615886.db2.gz BKIZSHBKJUOTDU-RYUDHWBXSA-N 1 3 274.409 -0.062 20 0 CBADHO C[C@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761387 544615888 /nfs/dbraw/zinc/61/58/88/544615888.db2.gz BKIZSHBKJUOTDU-RYUDHWBXSA-N 1 3 274.409 -0.062 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350470 419900427 /nfs/dbraw/zinc/90/04/27/419900427.db2.gz FOWOQZAHXRYUCQ-ZDUSSCGKSA-N 1 3 298.431 -0.493 20 0 CBADHO CCN1CCN(CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350590 419900872 /nfs/dbraw/zinc/90/08/72/419900872.db2.gz RBLGWEOAYWCRBU-UHFFFAOYSA-N 1 3 298.431 -0.491 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649349368 419901420 /nfs/dbraw/zinc/90/14/20/419901420.db2.gz DBRUUPBTMBNVQT-LBPRGKRZSA-N 1 3 268.405 -0.262 20 0 CBADHO CCN1CCC(NC(=O)CN(C)[C@H]2CC[NH2+]C2)CC1 ZINC000649409819 419910330 /nfs/dbraw/zinc/91/03/30/419910330.db2.gz NNDNFQVENGCLOR-ZDUSSCGKSA-N 1 3 268.405 -0.119 20 0 CBADHO CC[NH+](CC)CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358691421 419912371 /nfs/dbraw/zinc/91/23/71/419912371.db2.gz YTFZSQIKGIRNGK-CYBMUJFWSA-N 1 3 272.393 -0.306 20 0 CBADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N1CCNCC1 ZINC000669511502 544750427 /nfs/dbraw/zinc/75/04/27/544750427.db2.gz PQVZROJRGHNVJK-VXGBXAGGSA-N 1 3 268.405 -0.086 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491145 544750486 /nfs/dbraw/zinc/75/04/86/544750486.db2.gz NDNIAAZACBUSEU-STQMWFEESA-N 1 3 282.388 -0.242 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491145 544750492 /nfs/dbraw/zinc/75/04/92/544750492.db2.gz NDNIAAZACBUSEU-STQMWFEESA-N 1 3 282.388 -0.242 20 0 CBADHO CC1(C)CNCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000669512386 544750668 /nfs/dbraw/zinc/75/06/68/544750668.db2.gz LQQLPWGNGSIQGD-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H](CN)C1 ZINC000669512654 544751324 /nfs/dbraw/zinc/75/13/24/544751324.db2.gz WQGKARFDVLZHFQ-XQQFMLRXSA-N 1 3 268.405 -0.005 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000359284238 419957470 /nfs/dbraw/zinc/95/74/70/419957470.db2.gz ZLYKDCDAKCBYSR-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000359284238 419957472 /nfs/dbraw/zinc/95/74/72/419957472.db2.gz ZLYKDCDAKCBYSR-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CN(C)CCN1CCN(C(=O)NCCC[NH+](C)C)CC1=O ZINC000650551523 419962864 /nfs/dbraw/zinc/96/28/64/419962864.db2.gz ZBCGKHJMHZWHJV-UHFFFAOYSA-N 1 3 299.419 -0.647 20 0 CBADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000361819609 420024371 /nfs/dbraw/zinc/02/43/71/420024371.db2.gz PSWMTVJQMXKYLM-LBPRGKRZSA-N 1 3 294.403 0.518 20 0 CBADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000361819609 420024374 /nfs/dbraw/zinc/02/43/74/420024374.db2.gz PSWMTVJQMXKYLM-LBPRGKRZSA-N 1 3 294.403 0.518 20 0 CBADHO CCO[C@@H]1CN(C(=O)N[C@@H](C)CN(C)C)C[C@H]1C[NH3+] ZINC000652191866 420049741 /nfs/dbraw/zinc/04/97/41/420049741.db2.gz HOSNULGXRSNLAQ-QJPTWQEYSA-N 1 3 272.393 -0.058 20 0 CBADHO CCO[C@@H]1CN(C(=O)NC[C@H](C)N(C)C)C[C@H]1C[NH3+] ZINC000652197686 420050133 /nfs/dbraw/zinc/05/01/33/420050133.db2.gz INDVZWQHIBMPIU-QJPTWQEYSA-N 1 3 272.393 -0.058 20 0 CBADHO COCCNCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652211527 420051085 /nfs/dbraw/zinc/05/10/85/420051085.db2.gz BBUQPNCPJXQCAH-UHFFFAOYSA-N 1 3 258.366 -0.349 20 0 CBADHO CCO[C@@H]1CN(C(=O)NCCNCCOC)C[C@H]1C[NH3+] ZINC000652211622 420051398 /nfs/dbraw/zinc/05/13/98/420051398.db2.gz GAERITVGPZSXSD-VXGBXAGGSA-N 1 3 288.392 -0.772 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652318155 420057611 /nfs/dbraw/zinc/05/76/11/420057611.db2.gz OKZPIRPUPDRMGF-CQSZACIVSA-N 1 3 284.404 -0.258 20 0 CBADHO O=C(NCCN1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106186 420115857 /nfs/dbraw/zinc/11/58/57/420115857.db2.gz WQVQHKXYXPGQCG-AAEUAGOBSA-N 1 3 253.346 -0.566 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@@H](N)CC[NH+](C)C)CCSC1 ZINC000653110689 420116993 /nfs/dbraw/zinc/11/69/93/420116993.db2.gz QUAMFLWHUGLTBN-AAEUAGOBSA-N 1 3 288.461 -0.181 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653124017 420118706 /nfs/dbraw/zinc/11/87/06/420118706.db2.gz OEZWCFQYPYOEGY-RTXFEEFZSA-N 1 3 268.405 -0.136 20 0 CBADHO C[C@H]1CCN(CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121982 420119056 /nfs/dbraw/zinc/11/90/56/420119056.db2.gz HYTOAUBXCLZZLJ-NWDGAFQWSA-N 1 3 256.394 -0.277 20 0 CBADHO CCN(CCNC(=O)[C@@H](N)CC[NH+](C)C)C1CC1 ZINC000653115054 420119280 /nfs/dbraw/zinc/11/92/80/420119280.db2.gz AWXXCSCTNUPBMG-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000653115201 420119958 /nfs/dbraw/zinc/11/99/58/420119958.db2.gz GNVFCOTVUKYMLQ-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N(C)C1CC1 ZINC000653116411 420120067 /nfs/dbraw/zinc/12/00/67/420120067.db2.gz GEMYUYRSGYQNOZ-MJVIPROJSA-N 1 3 267.373 -0.179 20 0 CBADHO C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N(C)C1CC1 ZINC000653116709 420120273 /nfs/dbraw/zinc/12/02/73/420120273.db2.gz PLPJSUFOPJTFJB-ZYHUDNBSSA-N 1 3 256.394 -0.136 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)C[C@H]1C[NH3+] ZINC000653248165 420129362 /nfs/dbraw/zinc/12/93/62/420129362.db2.gz GHQRCCCYDCVLOF-UTUOFQBUSA-N 1 3 255.362 -0.064 20 0 CBADHO CCO[C@@H]1CN(C(=O)CCOC2CNC2)C[C@H]1C[NH3+] ZINC000653247845 420130201 /nfs/dbraw/zinc/13/02/01/420130201.db2.gz UXGNBMYATIDZBG-ZYHUDNBSSA-N 1 3 271.361 -0.813 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372606 420130364 /nfs/dbraw/zinc/13/03/64/420130364.db2.gz AEUBHBZUDAJNCN-GARJFASQSA-N 1 3 255.387 -0.098 20 0 CBADHO CCO[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C[NH3+] ZINC000653247922 420130406 /nfs/dbraw/zinc/13/04/06/420130406.db2.gz YCESILFGRHOKRK-PRJMDXOYSA-N 1 3 269.267 -0.302 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000368431107 420132421 /nfs/dbraw/zinc/13/24/21/420132421.db2.gz BTHMZXBSOPMGRE-SDDRHHMPSA-N 1 3 255.362 -0.443 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC1CC[NH2+]CC1 ZINC000653272488 420133149 /nfs/dbraw/zinc/13/31/49/420133149.db2.gz QGCMLXMWOROEQB-ZDUSSCGKSA-N 1 3 284.404 -0.408 20 0 CBADHO O=C(C[C@H]1CNCCO1)NCCC1CC[NH2+]CC1 ZINC000653268671 420133663 /nfs/dbraw/zinc/13/36/63/420133663.db2.gz ZMBCHMYVXUIENR-LBPRGKRZSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@@H](CO)N[C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285192 420137979 /nfs/dbraw/zinc/13/79/79/420137979.db2.gz HJWPPGXHZMXHOV-UWVGGRQHSA-N 1 3 257.334 -0.964 20 0 CBADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CCCC1 ZINC000653347941 420141033 /nfs/dbraw/zinc/14/10/33/420141033.db2.gz WBMCGZODVHJEPK-OBJOEFQTSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[NH3+] ZINC000652693772 420071859 /nfs/dbraw/zinc/07/18/59/420071859.db2.gz DGBYTVMLUSZQRJ-UHFFFAOYSA-N 1 3 256.350 -0.994 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000652695136 420072239 /nfs/dbraw/zinc/07/22/39/420072239.db2.gz NZTKGSMZHOMMSK-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CNC1 ZINC000652697728 420074405 /nfs/dbraw/zinc/07/44/05/420074405.db2.gz LXGFQTUKCCCGAD-UHFFFAOYSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CNC1 ZINC000652697728 420074407 /nfs/dbraw/zinc/07/44/07/420074407.db2.gz LXGFQTUKCCCGAD-UHFFFAOYSA-N 1 3 270.377 -0.832 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000652731273 420078855 /nfs/dbraw/zinc/07/88/55/420078855.db2.gz GNPXRHPPIPUIMM-CYBMUJFWSA-N 1 3 296.415 -0.262 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)n1 ZINC000375252758 420192261 /nfs/dbraw/zinc/19/22/61/420192261.db2.gz MGOXHRDZQIKFPH-RISCZKNCSA-N 1 3 277.372 0.383 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377566838 420196945 /nfs/dbraw/zinc/19/69/45/420196945.db2.gz YEOVYIWODULRMC-VXGBXAGGSA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000388501589 420204905 /nfs/dbraw/zinc/20/49/05/420204905.db2.gz HJSNPUOXEOKBIH-NWDGAFQWSA-N 1 3 291.417 -0.669 20 0 CBADHO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000388501589 420204908 /nfs/dbraw/zinc/20/49/08/420204908.db2.gz HJSNPUOXEOKBIH-NWDGAFQWSA-N 1 3 291.417 -0.669 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000394668990 420211463 /nfs/dbraw/zinc/21/14/63/420211463.db2.gz PAPJPNRHPHHQBL-NSHDSACASA-N 1 3 268.361 -0.852 20 0 CBADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCOCC1 ZINC000369018279 420149802 /nfs/dbraw/zinc/14/98/02/420149802.db2.gz WXFRUCXNSUGBBS-NWDGAFQWSA-N 1 3 268.361 -0.294 20 0 CBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000653694686 420158532 /nfs/dbraw/zinc/15/85/32/420158532.db2.gz NNWWWLNOGWDWPZ-IHRRRGAJSA-N 1 3 271.405 -0.439 20 0 CBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000653694686 420158536 /nfs/dbraw/zinc/15/85/36/420158536.db2.gz NNWWWLNOGWDWPZ-IHRRRGAJSA-N 1 3 271.405 -0.439 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000653778275 420162640 /nfs/dbraw/zinc/16/26/40/420162640.db2.gz PQHCHKLHKAHSLL-CYBMUJFWSA-N 1 3 286.420 -0.995 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000653778275 420162645 /nfs/dbraw/zinc/16/26/45/420162645.db2.gz PQHCHKLHKAHSLL-CYBMUJFWSA-N 1 3 286.420 -0.995 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829164 420167805 /nfs/dbraw/zinc/16/78/05/420167805.db2.gz BGVOXVNXFLKJJL-YNEHKIRRSA-N 1 3 257.378 -0.950 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829164 420167809 /nfs/dbraw/zinc/16/78/09/420167809.db2.gz BGVOXVNXFLKJJL-YNEHKIRRSA-N 1 3 257.378 -0.950 20 0 CBADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000654429036 420177256 /nfs/dbraw/zinc/17/72/56/420177256.db2.gz FYKGWWOZNCNVLP-KWCYVHTRSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000654429036 420177260 /nfs/dbraw/zinc/17/72/60/420177260.db2.gz FYKGWWOZNCNVLP-KWCYVHTRSA-N 1 3 296.415 -0.071 20 0 CBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000404765650 420226446 /nfs/dbraw/zinc/22/64/46/420226446.db2.gz MFDQHCQGQSGHMX-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[NH2+]CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418313863 420241628 /nfs/dbraw/zinc/24/16/28/420241628.db2.gz COHHVPBCTXMRJF-LBPRGKRZSA-N 1 3 272.393 -0.258 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000418954728 420243675 /nfs/dbraw/zinc/24/36/75/420243675.db2.gz XMUKQJXRXVZFTR-VXGBXAGGSA-N 1 3 286.420 -0.195 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418936847 420243999 /nfs/dbraw/zinc/24/39/99/420243999.db2.gz KLGUYPVXWSPIMX-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419018329 420244065 /nfs/dbraw/zinc/24/40/65/420244065.db2.gz BWAHTNZIJWFIKK-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N(C)CCC[NH2+]C ZINC000418922146 420244089 /nfs/dbraw/zinc/24/40/89/420244089.db2.gz DMGNRJDFSZWWFH-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000419591551 420245574 /nfs/dbraw/zinc/24/55/74/420245574.db2.gz RHNVJQGHGIJQJS-WDEREUQCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000419667582 420245921 /nfs/dbraw/zinc/24/59/21/420245921.db2.gz CAYFZSUYQBPWJD-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000419881138 420245962 /nfs/dbraw/zinc/24/59/62/420245962.db2.gz ATMLSQYRODESST-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419529426 420246620 /nfs/dbraw/zinc/24/66/20/420246620.db2.gz XRYNHUOSIZQIDL-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419902866 420247047 /nfs/dbraw/zinc/24/70/47/420247047.db2.gz VNIWMVIJDNRYMF-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419901828 420247127 /nfs/dbraw/zinc/24/71/27/420247127.db2.gz VDLDYYGRZRVBDT-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO COCCNCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655451052 420249422 /nfs/dbraw/zinc/24/94/22/420249422.db2.gz AEBAZCBOOZDQJL-AAEUAGOBSA-N 1 3 255.362 -0.272 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCN1CCC[C@H]1C(N)=O ZINC000422891017 420253280 /nfs/dbraw/zinc/25/32/80/420253280.db2.gz UJOJDUJXWUVCEB-UPJWGTAASA-N 1 3 268.405 -0.086 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655478181 420255486 /nfs/dbraw/zinc/25/54/86/420255486.db2.gz PFXPTGGXAWCADA-GMXVVIOVSA-N 1 3 253.346 -0.519 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423601825 420257045 /nfs/dbraw/zinc/25/70/45/420257045.db2.gz ZVTQLWCHAILRPE-FRRDWIJNSA-N 1 3 296.415 -0.267 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@H](C[NH3+])C(F)(F)F)C1=O ZINC000655518624 420261652 /nfs/dbraw/zinc/26/16/52/420261652.db2.gz IMXGGKSCRVCNDJ-JGVFFNPUSA-N 1 3 296.293 -0.668 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963191 420283216 /nfs/dbraw/zinc/28/32/16/420283216.db2.gz KZBZVRZBZFBGBR-FRRDWIJNSA-N 1 3 284.404 -0.180 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655964113 420283227 /nfs/dbraw/zinc/28/32/27/420283227.db2.gz OTXDKZSRPIMOGE-GRYCIOLGSA-N 1 3 268.361 -0.801 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963074 420283307 /nfs/dbraw/zinc/28/33/07/420283307.db2.gz GCRKGXIDHVYGAM-XJFOESAGSA-N 1 3 296.415 -0.036 20 0 CBADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655961388 420283491 /nfs/dbraw/zinc/28/34/91/420283491.db2.gz PXJYBBARHBXSCD-FRRDWIJNSA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655961389 420283632 /nfs/dbraw/zinc/28/36/32/420283632.db2.gz PXJYBBARHBXSCD-RWMBFGLXSA-N 1 3 282.388 -0.411 20 0 CBADHO CC1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000655964978 420283966 /nfs/dbraw/zinc/28/39/66/420283966.db2.gz KMCISJIJNVZMAD-QWHCGFSZSA-N 1 3 296.415 -0.164 20 0 CBADHO [NH3+]C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655964525 420284084 /nfs/dbraw/zinc/28/40/84/420284084.db2.gz WVRCQXHDZSXRIK-QJPTWQEYSA-N 1 3 268.361 -0.816 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965094 420284735 /nfs/dbraw/zinc/28/47/35/420284735.db2.gz NENJSEXZVOZOCD-GARJFASQSA-N 1 3 256.350 -0.816 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967162 420284829 /nfs/dbraw/zinc/28/48/29/420284829.db2.gz OAIMSQMMJFOUNK-XQHKEYJVSA-N 1 3 282.388 -0.555 20 0 CBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967160 420284916 /nfs/dbraw/zinc/28/49/16/420284916.db2.gz OAIMSQMMJFOUNK-RVMXOQNASA-N 1 3 282.388 -0.555 20 0 CBADHO [NH3+][C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655965342 420285375 /nfs/dbraw/zinc/28/53/75/420285375.db2.gz RXXYTPMFRXXVFZ-QJPTWQEYSA-N 1 3 268.361 -0.816 20 0 CBADHO CN(C[C@H]1CCCN(C(=O)CN)C1)CC(C)(C)[NH3+] ZINC000656786456 420321441 /nfs/dbraw/zinc/32/14/41/420321441.db2.gz ZIKBGSCTJAXXNN-LLVKDONJSA-N 1 3 256.394 -0.147 20 0 CBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516766133 420363484 /nfs/dbraw/zinc/36/34/84/420363484.db2.gz DBWREUBDAAQTPM-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](CN)C1 ZINC000516648837 420361885 /nfs/dbraw/zinc/36/18/85/420361885.db2.gz ATMZFJLGBBTDHT-NWDGAFQWSA-N 1 3 266.389 -0.523 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022665 420292833 /nfs/dbraw/zinc/29/28/33/420292833.db2.gz JEXRCVIYZZYBIS-RYUDHWBXSA-N 1 3 280.372 -0.793 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656021705 420292865 /nfs/dbraw/zinc/29/28/65/420292865.db2.gz HFWZGZQFBSGFJG-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019610 420293372 /nfs/dbraw/zinc/29/33/72/420293372.db2.gz HNPRKPDFRSZYDA-MNOVXSKESA-N 1 3 268.361 -0.806 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022663 420293500 /nfs/dbraw/zinc/29/35/00/420293500.db2.gz JEXRCVIYZZYBIS-NEPJUHHUSA-N 1 3 280.372 -0.793 20 0 CBADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022963 420294049 /nfs/dbraw/zinc/29/40/49/420294049.db2.gz PUSDIRLGGXFYLB-OLZOCXBDSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022700 420294155 /nfs/dbraw/zinc/29/41/55/420294155.db2.gz KLABPLRMZHZSOI-AGIUHOORSA-N 1 3 296.415 -0.170 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000447435655 420294982 /nfs/dbraw/zinc/29/49/82/420294982.db2.gz QCJHSCTUCUNCJH-WDEREUQCSA-N 1 3 259.350 -0.813 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656028453 420295038 /nfs/dbraw/zinc/29/50/38/420295038.db2.gz LFUWPVUAOZWIRU-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000656042057 420295687 /nfs/dbraw/zinc/29/56/87/420295687.db2.gz VDWSKNOJGSNPKB-UTUOFQBUSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656028058 420295859 /nfs/dbraw/zinc/29/58/59/420295859.db2.gz IBGQHDGKBNBTEI-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000517373246 420376313 /nfs/dbraw/zinc/37/63/13/420376313.db2.gz QCGUHYMMZKWKJJ-DCAQKATOSA-N 1 3 271.361 -0.099 20 0 CBADHO [NH3+]CCn1cc(C(=O)NCc2ccc3c(c2)CNC3)nn1 ZINC000659305734 420408801 /nfs/dbraw/zinc/40/88/01/420408801.db2.gz XAPQIISSUSIZME-UHFFFAOYSA-N 1 3 286.339 -0.230 20 0 CBADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000659325175 420412174 /nfs/dbraw/zinc/41/21/74/420412174.db2.gz MNIPZHNUAVHQTD-NSHDSACASA-N 1 3 286.339 -0.233 20 0 CBADHO C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H](C)[NH3+] ZINC000659357988 420413879 /nfs/dbraw/zinc/41/38/79/420413879.db2.gz FFAMLGJXJRKQLQ-MNOVXSKESA-N 1 3 272.393 -0.552 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000677539476 544977670 /nfs/dbraw/zinc/97/76/70/544977670.db2.gz YLSZJTKHTZBUOB-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1([NH3+])CCC1 ZINC000659358484 420414647 /nfs/dbraw/zinc/41/46/47/420414647.db2.gz QXLQDZZUFQDLGD-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659358654 420415682 /nfs/dbraw/zinc/41/56/82/420415682.db2.gz SKCNPHKYDPORET-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO N[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[C@H]1F ZINC000659388976 420417535 /nfs/dbraw/zinc/41/75/35/420417535.db2.gz OIXICLCGEQILCA-GMTAPVOTSA-N 1 3 259.325 -0.347 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868604 544987438 /nfs/dbraw/zinc/98/74/38/544987438.db2.gz JDGFAUPQIFTGJC-CHWSQXEVSA-N 1 3 266.389 -0.413 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868604 544987443 /nfs/dbraw/zinc/98/74/43/544987443.db2.gz JDGFAUPQIFTGJC-CHWSQXEVSA-N 1 3 266.389 -0.413 20 0 CBADHO CC[NH2+]CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659514259 420425405 /nfs/dbraw/zinc/42/54/05/420425405.db2.gz GMUBDNZPMKWGLR-UHFFFAOYSA-N 1 3 287.408 -0.743 20 0 CBADHO CCCN1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659508386 420425447 /nfs/dbraw/zinc/42/54/47/420425447.db2.gz USKGVUQTUUWWIC-CYBMUJFWSA-N 1 3 283.420 -0.325 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2CCCC[NH2+]2)n1 ZINC000659508477 420425622 /nfs/dbraw/zinc/42/56/22/420425622.db2.gz QKMDGZKMQROLPK-VIFPVBQESA-N 1 3 294.359 -0.418 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000659514551 420426982 /nfs/dbraw/zinc/42/69/82/420426982.db2.gz BOUGIQZWACHWDH-GFCCVEGCSA-N 1 3 299.419 -0.600 20 0 CBADHO COCCNCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659526564 420428101 /nfs/dbraw/zinc/42/81/01/420428101.db2.gz CXKNGIKBJZZZQU-LLVKDONJSA-N 1 3 260.382 -0.105 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000659520978 420428690 /nfs/dbraw/zinc/42/86/90/420428690.db2.gz OIWZOUVXZKBSBL-UHFFFAOYSA-N 1 3 287.408 -0.615 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659528196 420428932 /nfs/dbraw/zinc/42/89/32/420428932.db2.gz BDYPHUAIRNYWJY-NSHDSACASA-N 1 3 287.408 -0.615 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659523722 420429100 /nfs/dbraw/zinc/42/91/00/420429100.db2.gz NMLBGNVYUGXRBH-SECBINFHSA-N 1 3 296.375 -0.042 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659522502 420429221 /nfs/dbraw/zinc/42/92/21/420429221.db2.gz LLZPQVQGGWIEOT-SECBINFHSA-N 1 3 296.375 -0.187 20 0 CBADHO CN1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000680833515 545040773 /nfs/dbraw/zinc/04/07/73/545040773.db2.gz ZMTHAZRLPVZEIB-WCQYABFASA-N 1 3 270.377 -0.554 20 0 CBADHO CN1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000680833515 545040774 /nfs/dbraw/zinc/04/07/74/545040774.db2.gz ZMTHAZRLPVZEIB-WCQYABFASA-N 1 3 270.377 -0.554 20 0 CBADHO CN(C)C(=O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000682704012 545060805 /nfs/dbraw/zinc/06/08/05/545060805.db2.gz MEDCDXLSUKPMSH-UHFFFAOYSA-N 1 3 268.405 -0.308 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000659754322 420468174 /nfs/dbraw/zinc/46/81/74/420468174.db2.gz DUYKXEORLKTDNG-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000659753963 420468547 /nfs/dbraw/zinc/46/85/47/420468547.db2.gz CADWBCFTWJQWAR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](CN)C1 ZINC000659612476 420437824 /nfs/dbraw/zinc/43/78/24/420437824.db2.gz VYBQRXPTSNLENW-AKJDGMEZSA-N 1 3 267.377 -0.977 20 0 CBADHO CCN(CCO)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615192 420438328 /nfs/dbraw/zinc/43/83/28/420438328.db2.gz JFDONXZCTWZDFT-UHFFFAOYSA-N 1 3 270.377 -0.648 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000659619626 420439159 /nfs/dbraw/zinc/43/91/59/420439159.db2.gz QDHWXUGJJFEQOP-NWDGAFQWSA-N 1 3 271.409 -0.356 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000659643272 420443682 /nfs/dbraw/zinc/44/36/82/420443682.db2.gz PTUQGCNHGKIWGR-NWDGAFQWSA-N 1 3 272.393 -0.260 20 0 CBADHO CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659675463 420446330 /nfs/dbraw/zinc/44/63/30/420446330.db2.gz VIJWDMCRCOEOOX-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000659677522 420448116 /nfs/dbraw/zinc/44/81/16/420448116.db2.gz DMLJJLTZWBRJII-DCAQKATOSA-N 1 3 270.377 -0.691 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000659699556 420452269 /nfs/dbraw/zinc/45/22/69/420452269.db2.gz XHYIFJWRVCHKPT-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000659699950 420452331 /nfs/dbraw/zinc/45/23/31/420452331.db2.gz XXYVYSCEOBOJRE-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000659702559 420453183 /nfs/dbraw/zinc/45/31/83/420453183.db2.gz PVFYUKSFLNTGCR-ZJUUUORDSA-N 1 3 270.377 -0.691 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)[C@@H](N)C2CCC2)n1 ZINC000570573584 420453356 /nfs/dbraw/zinc/45/33/56/420453356.db2.gz UWAZITPPURUIKS-LBPRGKRZSA-N 1 3 265.361 0.511 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659708843 420453801 /nfs/dbraw/zinc/45/38/01/420453801.db2.gz ZVUWRGYZQMFSPQ-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709262 420453830 /nfs/dbraw/zinc/45/38/30/420453830.db2.gz GMMMKCZGUFOFAE-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659708816 420454317 /nfs/dbraw/zinc/45/43/17/420454317.db2.gz ABZBRKPVICSRRI-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659711778 420454729 /nfs/dbraw/zinc/45/47/29/420454729.db2.gz ASJLCKVFPKCBEU-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659712002 420454790 /nfs/dbraw/zinc/45/47/90/420454790.db2.gz FRRRNTULMXKSAE-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659710059 420455341 /nfs/dbraw/zinc/45/53/41/420455341.db2.gz LKTGPMPPEWMUHM-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659712814 420456135 /nfs/dbraw/zinc/45/61/35/420456135.db2.gz MFDQWWMGQUTPPL-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO O=C(NC1CNC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659714001 420456345 /nfs/dbraw/zinc/45/63/45/420456345.db2.gz INCVFHZHOXDRKG-LLVKDONJSA-N 1 3 294.399 -0.402 20 0 CBADHO O=C(NC1CNC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659714001 420456347 /nfs/dbraw/zinc/45/63/47/420456347.db2.gz INCVFHZHOXDRKG-LLVKDONJSA-N 1 3 294.399 -0.402 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659714646 420456682 /nfs/dbraw/zinc/45/66/82/420456682.db2.gz OBAZNDHXCQZOCA-VIFPVBQESA-N 1 3 268.361 -0.937 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659715384 420456979 /nfs/dbraw/zinc/45/69/79/420456979.db2.gz SYXVVRUBYCZENQ-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000659715381 420457132 /nfs/dbraw/zinc/45/71/32/420457132.db2.gz SYXVVRUBYCZENQ-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000659715458 420457446 /nfs/dbraw/zinc/45/74/46/420457446.db2.gz PFQCAWYSQVBCPG-UWVGGRQHSA-N 1 3 256.350 -0.950 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000659718537 420457686 /nfs/dbraw/zinc/45/76/86/420457686.db2.gz QWLXQOSDVDIZKJ-NXEZZACHSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659718215 420457899 /nfs/dbraw/zinc/45/78/99/420457899.db2.gz MRXPAXKYQXUZLG-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659716263 420458238 /nfs/dbraw/zinc/45/82/38/420458238.db2.gz VVHACMRSBFGWAL-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659726594 420460210 /nfs/dbraw/zinc/46/02/10/420460210.db2.gz FESHZBKACXNQHL-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659725990 420460221 /nfs/dbraw/zinc/46/02/21/420460221.db2.gz GJCXNSSNYOHXFQ-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000659724751 420460395 /nfs/dbraw/zinc/46/03/95/420460395.db2.gz QPQXXXVFQWANSS-XQQFMLRXSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000574574991 420460374 /nfs/dbraw/zinc/46/03/74/420460374.db2.gz KDVZKVBOCMSBHM-CYBMUJFWSA-N 1 3 265.361 0.525 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731447 420461417 /nfs/dbraw/zinc/46/14/17/420461417.db2.gz FYGOPRUOYFEYIN-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732195 420461496 /nfs/dbraw/zinc/46/14/96/420461496.db2.gz KTPAQRCEHXUYEE-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659738868 420462973 /nfs/dbraw/zinc/46/29/73/420462973.db2.gz JKAJTEPEGWLAKB-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000659738863 420463139 /nfs/dbraw/zinc/46/31/39/420463139.db2.gz JGSBJANWGPKUDG-WFASDCNBSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000659738288 420463712 /nfs/dbraw/zinc/46/37/12/420463712.db2.gz DHIJTGZELJVVQH-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659739443 420464420 /nfs/dbraw/zinc/46/44/20/420464420.db2.gz UPCPJRGQBOOJGR-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000659748822 420466252 /nfs/dbraw/zinc/46/62/52/420466252.db2.gz BZYWFNAKUKYVPW-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000659748821 420466423 /nfs/dbraw/zinc/46/64/23/420466423.db2.gz BZYWFNAKUKYVPW-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000659750852 420466858 /nfs/dbraw/zinc/46/68/58/420466858.db2.gz QNLYKEHBGHDSDS-SRVKXCTJSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000518186062 260352308 /nfs/dbraw/zinc/35/23/08/260352308.db2.gz YGWHMQUJPWGRIR-QWRGUYRKSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N(C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000236648780 279352491 /nfs/dbraw/zinc/35/24/91/279352491.db2.gz LAQZUYJYRMHIBK-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO CCN(CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354705217 276125438 /nfs/dbraw/zinc/12/54/38/276125438.db2.gz FYNKLWRRELPGPU-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419912274 276265875 /nfs/dbraw/zinc/26/58/75/276265875.db2.gz WDCKDHHPUDHLBL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083546 276378414 /nfs/dbraw/zinc/37/84/14/276378414.db2.gz WXQZOEOZXBHVPC-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887919 276779395 /nfs/dbraw/zinc/77/93/95/276779395.db2.gz JSMLUWPRCQNNQW-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423592505 277031990 /nfs/dbraw/zinc/03/19/90/277031990.db2.gz KVUKGFCJTCTIDD-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419863793 277271096 /nfs/dbraw/zinc/27/10/96/277271096.db2.gz AGBFRFPPUGTTOM-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252644487 277281068 /nfs/dbraw/zinc/28/10/68/277281068.db2.gz ORVOPKSZSDOTDX-SRVKXCTJSA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN)C1 ZINC000419150220 277390005 /nfs/dbraw/zinc/39/00/05/277390005.db2.gz KYBUXMJTZXKWKP-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN)C1 ZINC000419150220 277390008 /nfs/dbraw/zinc/39/00/08/277390008.db2.gz KYBUXMJTZXKWKP-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000355250623 278228610 /nfs/dbraw/zinc/22/86/10/278228610.db2.gz DXFLKHJZILEJSB-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000487168345 288087450 /nfs/dbraw/zinc/08/74/50/288087450.db2.gz ZWBMIZHGCQGYDR-MDZLAQPJSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000487168345 288087454 /nfs/dbraw/zinc/08/74/54/288087454.db2.gz ZWBMIZHGCQGYDR-MDZLAQPJSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@]1(O)CCN(CCOCC[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000178732830 279173942 /nfs/dbraw/zinc/17/39/42/279173942.db2.gz IGJZRMHGFXKEHZ-ZIAGYGMSSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@@]1(O)CCN(CCOCC[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000178732830 279173943 /nfs/dbraw/zinc/17/39/43/279173943.db2.gz IGJZRMHGFXKEHZ-ZIAGYGMSSA-N 1 3 272.389 -0.084 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419333990 288114834 /nfs/dbraw/zinc/11/48/34/288114834.db2.gz MWLNWFQDTVTLSQ-ICCXJUOJSA-N 1 3 294.399 -0.561 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419580436 279268724 /nfs/dbraw/zinc/26/87/24/279268724.db2.gz HKQSXKPRLKACGP-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419593103 279278985 /nfs/dbraw/zinc/27/89/85/279278985.db2.gz SPAOLBXSGVWGSZ-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333424641 288118714 /nfs/dbraw/zinc/11/87/14/288118714.db2.gz SZVDJJCYLWXILA-RTXFEEFZSA-N 1 3 282.388 -0.162 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357932602 288122090 /nfs/dbraw/zinc/12/20/90/288122090.db2.gz QKMZOZNJYHMRAW-QTKMDUPCSA-N 1 3 253.346 -0.692 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419591547 279324700 /nfs/dbraw/zinc/32/47/00/279324700.db2.gz RHNVJQGHGIJQJS-MNOVXSKESA-N 1 3 282.388 -0.465 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270423 279359028 /nfs/dbraw/zinc/35/90/28/279359028.db2.gz PUJUPQDUUPXPJM-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419902863 279429105 /nfs/dbraw/zinc/42/91/05/279429105.db2.gz VNIWMVIJDNRYMF-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419428035 279500115 /nfs/dbraw/zinc/50/01/15/279500115.db2.gz SLZCMVGFNFWEOP-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419081178 281052633 /nfs/dbraw/zinc/05/26/33/281052633.db2.gz RCLCQOURPPXOGT-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000332234100 288306847 /nfs/dbraw/zinc/30/68/47/288306847.db2.gz NAOXMLQFHYXYFQ-UTUOFQBUSA-N 1 3 280.372 -0.759 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)CC1=O ZINC000262024320 289159190 /nfs/dbraw/zinc/15/91/90/289159190.db2.gz PAAZTSJYYFVLPY-IUODEOHRSA-N 1 3 296.415 -0.406 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000165608084 289353703 /nfs/dbraw/zinc/35/37/03/289353703.db2.gz MKSDRAKMPOJQMT-NWDGAFQWSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000331910039 289367524 /nfs/dbraw/zinc/36/75/24/289367524.db2.gz SPLWBHWWRWYPHX-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419835977 289368429 /nfs/dbraw/zinc/36/84/29/289368429.db2.gz BAHCHIPOLCXIGU-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137464 289385431 /nfs/dbraw/zinc/38/54/31/289385431.db2.gz LLJDNHKYHGDQKJ-NEPJUHHUSA-N 1 3 292.387 -0.021 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419996914 289474302 /nfs/dbraw/zinc/47/43/02/289474302.db2.gz OCWSSXUDIQXAKR-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000420012797 289545289 /nfs/dbraw/zinc/54/52/89/289545289.db2.gz JUEBIFWOHHQKDQ-WOPDTQHZSA-N 1 3 284.404 -0.171 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332082509 295253386 /nfs/dbraw/zinc/25/33/86/295253386.db2.gz BABVXQONUWTHLU-XQQFMLRXSA-N 1 3 294.399 -0.463 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423198956 295317747 /nfs/dbraw/zinc/31/77/47/295317747.db2.gz IUTJXWLBPXWZJS-OLZOCXBDSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420005455 298417755 /nfs/dbraw/zinc/41/77/55/298417755.db2.gz PJFMBCKERPPLFB-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419165022 298678069 /nfs/dbraw/zinc/67/80/69/298678069.db2.gz ZYHFMHXQZABCFQ-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1N(C)C ZINC000331520281 300101946 /nfs/dbraw/zinc/10/19/46/300101946.db2.gz CMZGZYFGEWKSFR-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418637651 303380576 /nfs/dbraw/zinc/38/05/76/303380576.db2.gz NUJONYHZTRBGBK-CQSZACIVSA-N 1 3 292.383 -0.164 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956070 303652393 /nfs/dbraw/zinc/65/23/93/303652393.db2.gz ADTFVIBFAAGHIA-STQMWFEESA-N 1 3 298.456 -0.412 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000563102292 327924577 /nfs/dbraw/zinc/92/45/77/327924577.db2.gz RKADLFPUODJNHP-QMMMGPOBSA-N 1 3 267.337 -0.992 20 0 CBADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583563498 328612708 /nfs/dbraw/zinc/61/27/08/328612708.db2.gz ATAJCKARQBCWCU-VHSXEESVSA-N 1 3 293.375 -0.459 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)CN1CC[C@H](C)C1 ZINC000563391519 328060616 /nfs/dbraw/zinc/06/06/16/328060616.db2.gz VIRFJGBDQPPDBX-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)CN1CC[C@H](C)C1 ZINC000563391519 328060618 /nfs/dbraw/zinc/06/06/18/328060618.db2.gz VIRFJGBDQPPDBX-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CCCN(C)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563442406 328066754 /nfs/dbraw/zinc/06/67/54/328066754.db2.gz QNMBHITYIDUJTI-QWRGUYRKSA-N 1 3 268.361 -0.901 20 0 CBADHO CCCN(C)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563442405 328066860 /nfs/dbraw/zinc/06/68/60/328066860.db2.gz QNMBHITYIDUJTI-MNOVXSKESA-N 1 3 268.361 -0.901 20 0 CBADHO COCCN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000571406428 328119502 /nfs/dbraw/zinc/11/95/02/328119502.db2.gz LUBVQWDJXKDDGG-PHIMTYICSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000161095208 328129312 /nfs/dbraw/zinc/12/93/12/328129312.db2.gz DJWGYCOGJSOVGO-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000571560439 328133985 /nfs/dbraw/zinc/13/39/85/328133985.db2.gz LKVSGCQYHYPHQD-DTWKUNHWSA-N 1 3 282.310 -0.324 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000571626417 328143122 /nfs/dbraw/zinc/14/31/22/328143122.db2.gz VUCFMVWXHZBAMP-STQMWFEESA-N 1 3 281.404 -0.620 20 0 CBADHO CC[N@H+](CCNC[C@H](O)CN1CCN(C)CC1)C(C)C ZINC000571634485 328150991 /nfs/dbraw/zinc/15/09/91/328150991.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[N@@H+](CCNC[C@H](O)CN1CCN(C)CC1)C(C)C ZINC000571634485 328150993 /nfs/dbraw/zinc/15/09/93/328150993.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC[NH2+]C[C@H](O)CN1CCN(C)CC1)C(C)C ZINC000571634485 328150995 /nfs/dbraw/zinc/15/09/95/328150995.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 1 3 286.464 -0.085 20 0 CBADHO COCCN(C)C[C@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000388787990 328303437 /nfs/dbraw/zinc/30/34/37/328303437.db2.gz NVCIURFNNJKWJK-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490203 328304165 /nfs/dbraw/zinc/30/41/65/328304165.db2.gz DAAJNVYZNPMYNZ-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)NC2C[NH2+]C2)CC1 ZINC000563798963 328519350 /nfs/dbraw/zinc/51/93/50/328519350.db2.gz DALGUJBILOOIDA-LBPRGKRZSA-N 1 3 270.377 -0.650 20 0 CBADHO CC[NH+]1CCC(CCNC(=O)C(=O)NC2CNC2)CC1 ZINC000557248882 326998392 /nfs/dbraw/zinc/99/83/92/326998392.db2.gz FABBEDYGMTXUBQ-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000568552665 327002917 /nfs/dbraw/zinc/00/29/17/327002917.db2.gz ABGCFOJWSRVYMQ-AWEZNQCLSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584112046 327009585 /nfs/dbraw/zinc/00/95/85/327009585.db2.gz JUMFUYJZJPWOOP-TVQRCGJNSA-N 1 3 291.359 -0.848 20 0 CBADHO NC(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000584171002 327056573 /nfs/dbraw/zinc/05/65/73/327056573.db2.gz XGZWHEHLBDEMJH-IUCAKERBSA-N 1 3 280.294 -0.618 20 0 CBADHO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000564450576 327099507 /nfs/dbraw/zinc/09/95/07/327099507.db2.gz KELXESQTEMAFIQ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000566178603 327157780 /nfs/dbraw/zinc/15/77/80/327157780.db2.gz BDAVUKKBXKWZBO-NEPJUHHUSA-N 1 3 273.377 -0.831 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569456451 327179750 /nfs/dbraw/zinc/17/97/50/327179750.db2.gz ZJAXLECODBMGNK-DGCLKSJQSA-N 1 3 266.389 -0.367 20 0 CBADHO CSCC[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000569482705 327184171 /nfs/dbraw/zinc/18/41/71/327184171.db2.gz QXFBLXREOROIFS-NSHDSACASA-N 1 3 274.434 -0.522 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617730 327196418 /nfs/dbraw/zinc/19/64/18/327196418.db2.gz GDWISRMOSZQLHV-GHMZBOCLSA-N 1 3 280.372 -0.582 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000566214103 327197285 /nfs/dbraw/zinc/19/72/85/327197285.db2.gz SHEPWRQQNLOLIT-ZRDGONRFSA-N 1 3 267.373 -0.147 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)N)CC1 ZINC000577277975 327248364 /nfs/dbraw/zinc/24/83/64/327248364.db2.gz IWYHEXXQOQTPKE-LLVKDONJSA-N 1 3 257.378 -0.067 20 0 CBADHO O=C(CCN1CC[C@@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000566242149 327256245 /nfs/dbraw/zinc/25/62/45/327256245.db2.gz GHENHMDMCOJWTH-HNNXBMFYSA-N 1 3 280.416 -0.116 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C)C1=O ZINC000560080193 327282793 /nfs/dbraw/zinc/28/27/93/327282793.db2.gz JVLFSAMIGBVSGW-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C)C[C@H]1CN ZINC000561215551 327376120 /nfs/dbraw/zinc/37/61/20/327376120.db2.gz DFLHGBIZGLGONM-LLVKDONJSA-N 1 3 271.409 -0.212 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000569692469 327535934 /nfs/dbraw/zinc/53/59/34/327535934.db2.gz BBPGPGIYTGDHLN-WDEREUQCSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CN1C1CC1 ZINC000582476361 329094735 /nfs/dbraw/zinc/09/47/35/329094735.db2.gz UDESODIIRFSHDQ-BZPMIXESSA-N 1 3 295.431 -0.186 20 0 CBADHO C[C@H]1CCCN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000582840381 329276631 /nfs/dbraw/zinc/27/66/31/329276631.db2.gz ULDXTQNXLGCBPP-HOTGVXAUSA-N 1 3 298.475 -0.084 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCOC1CNC1 ZINC000582959422 329289796 /nfs/dbraw/zinc/28/97/96/329289796.db2.gz ZNBGHJONOUPJLM-NSHDSACASA-N 1 3 255.362 -0.131 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000583202222 329361544 /nfs/dbraw/zinc/36/15/44/329361544.db2.gz HNLOKANVYCQAHC-UTUOFQBUSA-N 1 3 253.346 -0.425 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000583264193 329405753 /nfs/dbraw/zinc/40/57/53/329405753.db2.gz GOQOLLZBQOMIKC-BDAKNGLRSA-N 1 3 259.350 -0.244 20 0 CBADHO CC(C)C[C@H]([NH3+])CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583764176 329476185 /nfs/dbraw/zinc/47/61/85/329476185.db2.gz ZHGXCUCTXTZNCM-TUAOUCFPSA-N 1 3 254.378 -0.396 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480898 329500169 /nfs/dbraw/zinc/50/01/69/329500169.db2.gz SCPKJQDPUMXZRH-CHWSQXEVSA-N 1 3 294.399 -0.463 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000584530791 329514224 /nfs/dbraw/zinc/51/42/24/329514224.db2.gz IGLJPTOEZDKMIF-GARJFASQSA-N 1 3 269.345 -0.523 20 0 CBADHO O=C(CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)NC1CC1 ZINC000583874933 329524071 /nfs/dbraw/zinc/52/40/71/329524071.db2.gz PXEZEMPXNHIOPJ-ZDUSSCGKSA-N 1 3 280.416 -0.118 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000564086423 329668852 /nfs/dbraw/zinc/66/88/52/329668852.db2.gz YPOXEZZGFYOCTF-ZJUUUORDSA-N 1 3 257.334 -0.393 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CCN2C1=O ZINC000575762805 335113271 /nfs/dbraw/zinc/11/32/71/335113271.db2.gz GWSRDKQZPUQWNY-QNWHQSFQSA-N 1 3 294.399 -0.336 20 0 CBADHO CCN(C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576035715 335143920 /nfs/dbraw/zinc/14/39/20/335143920.db2.gz VSADMHHEMKXPOG-LLVKDONJSA-N 1 3 280.376 -0.288 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000576104317 335154411 /nfs/dbraw/zinc/15/44/11/335154411.db2.gz BEDAPRUEPPRPRU-KGLIPLIRSA-N 1 3 298.431 -0.411 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000576104317 335154412 /nfs/dbraw/zinc/15/44/12/335154412.db2.gz BEDAPRUEPPRPRU-KGLIPLIRSA-N 1 3 298.431 -0.411 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000564334188 334128821 /nfs/dbraw/zinc/12/88/21/334128821.db2.gz CVHUVENFZBXONW-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(C(=O)NC)C1 ZINC000564341243 334141425 /nfs/dbraw/zinc/14/14/25/334141425.db2.gz AAYFKRKLEDECJO-YPMHNXCESA-N 1 3 257.378 -0.243 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(C(=O)NC)C1 ZINC000564341243 334141426 /nfs/dbraw/zinc/14/14/26/334141426.db2.gz AAYFKRKLEDECJO-YPMHNXCESA-N 1 3 257.378 -0.243 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000575882802 334237967 /nfs/dbraw/zinc/23/79/67/334237967.db2.gz AJPJGNXTKUXONH-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C)nn1 ZINC000554777733 334451994 /nfs/dbraw/zinc/45/19/94/334451994.db2.gz YTWISIPNLPUFIV-UHFFFAOYSA-N 1 3 268.365 -0.620 20 0 CBADHO [NH3+]CC[C@H](NC(=O)CNC[C@@H]1CCCO1)C(F)F ZINC000565891039 334606617 /nfs/dbraw/zinc/60/66/17/334606617.db2.gz HHMIPCPPXOBQIJ-IUCAKERBSA-N 1 3 265.304 -0.146 20 0 CBADHO O=C(COC1CNC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000565950914 334611230 /nfs/dbraw/zinc/61/12/30/334611230.db2.gz ANOQWJRBBGVDGA-AAEUAGOBSA-N 1 3 267.373 -0.035 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566247093 334638569 /nfs/dbraw/zinc/63/85/69/334638569.db2.gz RCRAKCMYEOJWTN-WCQYABFASA-N 1 3 272.393 -0.425 20 0 CBADHO CNCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566677942 334660131 /nfs/dbraw/zinc/66/01/31/334660131.db2.gz ZSXFIONCWIVTPF-MRVPVSSYSA-N 1 3 268.283 -0.842 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000566858954 334667336 /nfs/dbraw/zinc/66/73/36/334667336.db2.gz JEXURISTIXVKFE-UTLUCORTSA-N 1 3 257.334 -0.524 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncn(C)n1 ZINC000567527625 334728764 /nfs/dbraw/zinc/72/87/64/334728764.db2.gz PQCKVLBKENLGKX-UHFFFAOYSA-N 1 3 268.365 -0.620 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)C[C@H]2CSCCN2)CCCO1 ZINC000567732819 334756335 /nfs/dbraw/zinc/75/63/35/334756335.db2.gz WVJSTSKKIBEBNX-QWRGUYRKSA-N 1 3 273.402 -0.342 20 0 CBADHO CC1(CNC(=O)C[C@H]2CNCCO2)CC[NH2+]CC1 ZINC000567839077 334766755 /nfs/dbraw/zinc/76/67/55/334766755.db2.gz VMPJDGGVCWFOLB-NSHDSACASA-N 1 3 255.362 -0.129 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3(C[NH3+])CCCC3)CCN2C1=O ZINC000568264935 334810369 /nfs/dbraw/zinc/81/03/69/334810369.db2.gz HRNQAPPRKPLROB-GHMZBOCLSA-N 1 3 280.372 -0.724 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000576360231 335194631 /nfs/dbraw/zinc/19/46/31/335194631.db2.gz NMFSGLMFSURCEA-NEPJUHHUSA-N 1 3 256.394 -0.406 20 0 CBADHO C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@H]2COCCN2)C1 ZINC000576399514 335198928 /nfs/dbraw/zinc/19/89/28/335198928.db2.gz MUEVPHQCOWDXRZ-BSCCGWMCSA-N 1 3 251.374 -0.049 20 0 CBADHO C[C@@H](C[NH+](C)C)NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576459644 335206112 /nfs/dbraw/zinc/20/61/12/335206112.db2.gz IVIIIDUQQHUVCC-IGQOVBAYSA-N 1 3 273.421 -0.004 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CC1 ZINC000576838654 335254638 /nfs/dbraw/zinc/25/46/38/335254638.db2.gz BYAFPTYYOAQUAQ-UHFFFAOYSA-N 1 3 298.431 -0.193 20 0 CBADHO CC(C)(N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580550105 335282394 /nfs/dbraw/zinc/28/23/94/335282394.db2.gz ZEMHQPQPUZAKAY-QMMMGPOBSA-N 1 3 282.310 -0.324 20 0 CBADHO C[C@@]1(CNC(=O)C[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000577176437 335316204 /nfs/dbraw/zinc/31/62/04/335316204.db2.gz PRHYWXUWLYGJFJ-WCQYABFASA-N 1 3 255.362 -0.129 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)CCC[NH3+])CC1 ZINC000577607485 335377281 /nfs/dbraw/zinc/37/72/81/335377281.db2.gz SAUBXALNABHOHI-LBPRGKRZSA-N 1 3 257.378 -0.066 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)C[C@@H]1CNCCO1)C(F)(F)F ZINC000577728718 335393406 /nfs/dbraw/zinc/39/34/06/335393406.db2.gz PHZCCZZPKYGTOU-HTQZYQBOSA-N 1 3 269.267 -0.239 20 0 CBADHO COCC[NH2+]CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000577749102 335396962 /nfs/dbraw/zinc/39/69/62/335396962.db2.gz LBJKQTZQVPTYDK-UHFFFAOYSA-N 1 3 286.420 -0.682 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000577751528 335397607 /nfs/dbraw/zinc/39/76/07/335397607.db2.gz JIZWKRPQLUUPGZ-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000577953201 335436864 /nfs/dbraw/zinc/43/68/64/335436864.db2.gz UTQLVOUHWQAALH-GWCFXTLKSA-N 1 3 284.404 -0.328 20 0 CBADHO COCC1(CNC(=O)CCOC2CNC2)CC[NH2+]CC1 ZINC000578186368 335548110 /nfs/dbraw/zinc/54/81/10/335548110.db2.gz IVFMUMZVGHJZPK-UHFFFAOYSA-N 1 3 285.388 -0.503 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578442548 335634987 /nfs/dbraw/zinc/63/49/87/335634987.db2.gz XGZZAYIXXQQEFO-OLZOCXBDSA-N 1 3 293.371 -0.474 20 0 CBADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578454284 335637454 /nfs/dbraw/zinc/63/74/54/335637454.db2.gz VSYARZLHBSRSSU-IJLUTSLNSA-N 1 3 297.403 -0.543 20 0 CBADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551967 335648836 /nfs/dbraw/zinc/64/88/36/335648836.db2.gz UBLNXDRFEPPEFZ-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579252863 335728453 /nfs/dbraw/zinc/72/84/53/335728453.db2.gz GOEKERHVEMNNAA-BLTAXRJOSA-N 1 3 294.399 -0.336 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000580951113 335987790 /nfs/dbraw/zinc/98/77/90/335987790.db2.gz VCYMOSMSZSWAQW-AAEUAGOBSA-N 1 3 255.362 -0.320 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000581191308 336021906 /nfs/dbraw/zinc/02/19/06/336021906.db2.gz WAWQGOVTUNRAMW-FRRDWIJNSA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](CN)C1 ZINC000581241204 336029658 /nfs/dbraw/zinc/02/96/58/336029658.db2.gz NZNDKLWZFBQDKN-AGIUHOORSA-N 1 3 283.420 -0.212 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](CN)C1 ZINC000581241207 336029687 /nfs/dbraw/zinc/02/96/87/336029687.db2.gz NZNDKLWZFBQDKN-UPJWGTAASA-N 1 3 283.420 -0.212 20 0 CBADHO CN1CCN(C(=O)NC[C@@H](N)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300013 336041444 /nfs/dbraw/zinc/04/14/44/336041444.db2.gz FBEQERHLQFBRKD-UONOGXRCSA-N 1 3 291.399 -0.029 20 0 CBADHO [NH3+]C[C@H](NC(=O)C[C@H]1CNCCO1)C1CCCC1 ZINC000581309814 336045423 /nfs/dbraw/zinc/04/54/23/336045423.db2.gz SBRRFBCXTQORJM-RYUDHWBXSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC[NH2+]1 ZINC000581381124 336065773 /nfs/dbraw/zinc/06/57/73/336065773.db2.gz RAPVUFLIKLNUQC-MISXGVKJSA-N 1 3 280.372 -0.711 20 0 CBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479060 336086364 /nfs/dbraw/zinc/08/63/64/336086364.db2.gz URMMPGRJGQZBJH-RYUDHWBXSA-N 1 3 294.399 -0.321 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000581546941 336099812 /nfs/dbraw/zinc/09/98/12/336099812.db2.gz PKVWJPWLTAEYCI-GHMZBOCLSA-N 1 3 260.382 -0.274 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000581546944 336099835 /nfs/dbraw/zinc/09/98/35/336099835.db2.gz PKVWJPWLTAEYCI-WDEREUQCSA-N 1 3 260.382 -0.274 20 0 CBADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NC2CNC2)([NH+](C)C)C1 ZINC000581874597 336156322 /nfs/dbraw/zinc/15/63/22/336156322.db2.gz TYDVZTAPFXVEBB-NHYWBVRUSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376696776 529150666 /nfs/dbraw/zinc/15/06/66/529150666.db2.gz ZITNKTPHUQCFES-GXTWGEPZSA-N 1 3 286.395 -0.170 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370191621 535701888 /nfs/dbraw/zinc/70/18/88/535701888.db2.gz DMTIYZBTTOVLKY-CYBMUJFWSA-N 1 3 272.368 -0.558 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236884532 535716253 /nfs/dbraw/zinc/71/62/53/535716253.db2.gz LMSLUGXWRHVLFJ-KGLIPLIRSA-N 1 3 282.432 -0.014 20 0 CBADHO C[NH+](C)CCN(C(=O)[C@@H]1CN2CCN1CCC2)C1CC1 ZINC000356290739 535844173 /nfs/dbraw/zinc/84/41/73/535844173.db2.gz DERJFSTZCBOPDJ-AWEZNQCLSA-N 1 3 280.416 -0.071 20 0 CBADHO CN1CCC([NH2+]CC(=O)N2CCN(C)CC2)CC1 ZINC000037249986 582112472 /nfs/dbraw/zinc/11/24/72/582112472.db2.gz GVZCVSNIGYHLNU-UHFFFAOYSA-N 1 3 254.378 -0.556 20 0 CBADHO C[C@@H](C(N)=O)N(C)CCCC[N@H+](C)[C@@H](C)C(N)=O ZINC000118401454 582117364 /nfs/dbraw/zinc/11/73/64/582117364.db2.gz PETZVIUIXWLHPV-UWVGGRQHSA-N 1 3 258.366 -0.622 20 0 CBADHO C[C@@H](C(N)=O)N(C)CCCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000118401454 582117365 /nfs/dbraw/zinc/11/73/65/582117365.db2.gz PETZVIUIXWLHPV-UWVGGRQHSA-N 1 3 258.366 -0.622 20 0 CBADHO CN1CCN(CCCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000137363447 582126067 /nfs/dbraw/zinc/12/60/67/582126067.db2.gz CURRTRCDFDBKBL-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000729529203 582146889 /nfs/dbraw/zinc/14/68/89/582146889.db2.gz NELNDSSBZZSGNL-RWMBFGLXSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000729529203 582146891 /nfs/dbraw/zinc/14/68/91/582146891.db2.gz NELNDSSBZZSGNL-RWMBFGLXSA-N 1 3 267.373 -0.083 20 0 CBADHO COCCN1CC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000730733251 582151182 /nfs/dbraw/zinc/15/11/82/582151182.db2.gz IUAMQSXYPWFVRT-LLVKDONJSA-N 1 3 274.434 -0.267 20 0 CBADHO C[NH+]1CCC(CN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000788480040 582386217 /nfs/dbraw/zinc/38/62/17/582386217.db2.gz GNTVKGFUKSHSAC-LBPRGKRZSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C[C@@H](O)C[NH+]1CCCC1)C1(CO)CCOCC1 ZINC000792408807 582395513 /nfs/dbraw/zinc/39/55/13/582395513.db2.gz JMZFKGSMRNBRJF-CYBMUJFWSA-N 1 3 272.389 -0.084 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815439632 582465654 /nfs/dbraw/zinc/46/56/54/582465654.db2.gz YTOWIKKLDMJJHB-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCNCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000818582681 582512239 /nfs/dbraw/zinc/51/22/39/582512239.db2.gz SLRYGNYGJFHVLL-UHFFFAOYSA-N 1 3 264.329 -0.077 20 0 CBADHO Cn1ncc(CCCNC[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000819331080 582532484 /nfs/dbraw/zinc/53/24/84/582532484.db2.gz JQRNZOPZSVTXTG-ZDUSSCGKSA-N 1 3 267.377 -0.208 20 0 CBADHO Cn1ncc(CCCNC[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000819331080 582532486 /nfs/dbraw/zinc/53/24/86/582532486.db2.gz JQRNZOPZSVTXTG-ZDUSSCGKSA-N 1 3 267.377 -0.208 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000827004566 582797167 /nfs/dbraw/zinc/79/71/67/582797167.db2.gz KXJPEVPOTBEUDX-CQSZACIVSA-N 1 3 286.395 -0.168 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]1(F)CC[NH2+]C1 ZINC000827936230 582836405 /nfs/dbraw/zinc/83/64/05/582836405.db2.gz GZXVLWHOIDRKSM-WZRBSPASSA-N 1 3 271.336 -0.333 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)C1 ZINC000829715556 582895902 /nfs/dbraw/zinc/89/59/02/582895902.db2.gz OTKAFWIGWYMRBK-UPJWGTAASA-N 1 3 266.389 -0.428 20 0 CBADHO CN1CCN(C(=O)NCCCCCC[NH3+])[C@H](CN)C1 ZINC000831291403 582974757 /nfs/dbraw/zinc/97/47/57/582974757.db2.gz MWPUZDCPPWOFTL-GFCCVEGCSA-N 1 3 271.409 -0.210 20 0 CBADHO CC[NH2+]CCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000832383571 583022942 /nfs/dbraw/zinc/02/29/42/583022942.db2.gz WOWVXLVPIHUMBC-UHFFFAOYSA-N 1 3 251.334 -0.215 20 0 CBADHO COCCNCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448550 583123306 /nfs/dbraw/zinc/12/33/06/583123306.db2.gz QWQUPFYINUZABB-UHFFFAOYSA-N 1 3 255.362 -0.176 20 0 CBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)c1[nH]nc2c1CNCC2 ZINC000834862681 583138037 /nfs/dbraw/zinc/13/80/37/583138037.db2.gz WEFINRFRYDTBRH-VIFPVBQESA-N 1 3 279.344 -0.836 20 0 CBADHO CN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CC([NH3+])C1 ZINC000841790480 583174000 /nfs/dbraw/zinc/17/40/00/583174000.db2.gz XIBNWFVLYXLXEN-KPFVRQRISA-N 1 3 282.388 -0.019 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841789760 583174096 /nfs/dbraw/zinc/17/40/96/583174096.db2.gz QMHPBRZLJZUHGS-SRVKXCTJSA-N 1 3 270.377 -0.114 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841790198 583174112 /nfs/dbraw/zinc/17/41/12/583174112.db2.gz AJDYWQUGAHQDSK-STQMWFEESA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H]1NCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000841850193 583175225 /nfs/dbraw/zinc/17/52/25/583175225.db2.gz CWYSUDOCYUMNSG-SDDRHHMPSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC[NH3+])N1CCCCC1 ZINC000842014632 583177641 /nfs/dbraw/zinc/17/76/41/583177641.db2.gz DGSHANHSPPTYIR-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000842014232 583177663 /nfs/dbraw/zinc/17/76/63/583177663.db2.gz APSLMTNUUTWIRF-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCCCC1 ZINC000842014240 583177750 /nfs/dbraw/zinc/17/77/50/583177750.db2.gz ATQAXNBRRXCODT-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015779 583178250 /nfs/dbraw/zinc/17/82/50/583178250.db2.gz NGELPEYJIYWZRM-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CN(C(=O)c1[nH]nc2c1CNCC2)[C@H](C[NH3+])C1CC1 ZINC000842509589 583184585 /nfs/dbraw/zinc/18/45/85/583184585.db2.gz GHQWBILONXXXBZ-LLVKDONJSA-N 1 3 263.345 -0.135 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512199 583184741 /nfs/dbraw/zinc/18/47/41/583184741.db2.gz IGFJMCHTQALCKA-WCQYABFASA-N 1 3 253.346 -0.281 20 0 CBADHO CCNCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843453382 583221163 /nfs/dbraw/zinc/22/11/63/583221163.db2.gz NPQGIHAHHQMUBB-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000843484697 583227208 /nfs/dbraw/zinc/22/72/08/583227208.db2.gz QVDAYQJDNMAMNH-VHSXEESVSA-N 1 3 277.315 -0.132 20 0 CBADHO C[NH2+]CC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844172421 583256785 /nfs/dbraw/zinc/25/67/85/583256785.db2.gz XOYBISLDZOWHMN-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN(C)CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844172690 583256798 /nfs/dbraw/zinc/25/67/98/583256798.db2.gz GHUAEPFDBXVEEJ-CYBMUJFWSA-N 1 3 287.404 -0.161 20 0 CBADHO COCCN1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844176156 583257218 /nfs/dbraw/zinc/25/72/18/583257218.db2.gz XNYBHFWCZYOFHU-CQSZACIVSA-N 1 3 299.415 -0.018 20 0 CBADHO CCN1CCN(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192467 583260660 /nfs/dbraw/zinc/26/06/60/583260660.db2.gz TVJOQPPBQQREQD-CQSZACIVSA-N 1 3 298.431 -0.491 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000846366123 583359897 /nfs/dbraw/zinc/35/98/97/583359897.db2.gz YMQXNSCZMKVXGR-UHFFFAOYSA-N 1 3 284.404 -0.392 20 0 CBADHO CCO[C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1C[NH3+] ZINC000846694992 583383936 /nfs/dbraw/zinc/38/39/36/583383936.db2.gz HKCFCRJLHFQPOA-BXKDBHETSA-N 1 3 293.371 -0.509 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846716617 583385934 /nfs/dbraw/zinc/38/59/34/583385934.db2.gz DFCVWIHDOANTRO-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(C)=O ZINC000848981200 583463804 /nfs/dbraw/zinc/46/38/04/583463804.db2.gz AEMINMMTFFFPCO-NSHDSACASA-N 1 3 255.366 -0.279 20 0 CBADHO COCCNC(=[NH2+])NCCCCN1CCN(C)CC1 ZINC000848989472 583464693 /nfs/dbraw/zinc/46/46/93/583464693.db2.gz SZKGBXBYDKZTOI-UHFFFAOYSA-N 1 3 271.409 -0.226 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017220 583468080 /nfs/dbraw/zinc/46/80/80/583468080.db2.gz MUOYFHGFCCFKEZ-LBPRGKRZSA-N 1 3 296.419 -0.984 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000849026086 583469160 /nfs/dbraw/zinc/46/91/60/583469160.db2.gz UIHFGOCYVSERCP-SECBINFHSA-N 1 3 291.346 -0.034 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851656435 583518167 /nfs/dbraw/zinc/51/81/67/583518167.db2.gz LCTUZZQFZVWCTC-SDDRHHMPSA-N 1 3 270.377 -0.243 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657085 583518238 /nfs/dbraw/zinc/51/82/38/583518238.db2.gz UVMCONLIPFGPSZ-FMPXUHTOSA-N 1 3 294.399 -0.099 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851657140 583518261 /nfs/dbraw/zinc/51/82/61/583518261.db2.gz VJHOURZQFBZDAG-ICRTXTNUSA-N 1 3 294.399 -0.018 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000851689349 583521948 /nfs/dbraw/zinc/52/19/48/583521948.db2.gz NIBSQHOXFGEGMN-NSHDSACASA-N 1 3 296.415 -0.312 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000851689590 583521967 /nfs/dbraw/zinc/52/19/67/583521967.db2.gz QWLXQOSDVDIZKJ-VHSXEESVSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852793192 583552702 /nfs/dbraw/zinc/55/27/02/583552702.db2.gz UDQXKYXPGQPAPZ-QXEWZRGKSA-N 1 3 254.334 -0.182 20 0 CBADHO NC[C@H]1CC(C(=O)N(C2CC2)C2CC[NH2+]CC2)=NO1 ZINC000852792947 583552737 /nfs/dbraw/zinc/55/27/37/583552737.db2.gz JLRQIHRFKHXYHH-LLVKDONJSA-N 1 3 266.345 -0.167 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852793190 583552746 /nfs/dbraw/zinc/55/27/46/583552746.db2.gz UDQXKYXPGQPAPZ-IQJOONFLSA-N 1 3 254.334 -0.182 20 0 CBADHO C[C@H](NC(=O)C1=NO[C@@H](CN)C1)[C@H]1CCC[NH2+]C1 ZINC000852794880 583552963 /nfs/dbraw/zinc/55/29/63/583552963.db2.gz SVGOFAICTXTCOB-LPEHRKFASA-N 1 3 254.334 -0.406 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000852798162 583553282 /nfs/dbraw/zinc/55/32/82/583553282.db2.gz GTSYPEOAGVFDFX-KXUCPTDWSA-N 1 3 252.318 -0.557 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000852798163 583553305 /nfs/dbraw/zinc/55/33/05/583553305.db2.gz GTSYPEOAGVFDFX-UTLUCORTSA-N 1 3 252.318 -0.557 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1NCC12CCOCC2 ZINC000852825571 583556936 /nfs/dbraw/zinc/55/69/36/583556936.db2.gz RXXUIKBDSXUWOX-QWRGUYRKSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1NCC12CCOCC2 ZINC000852825572 583557025 /nfs/dbraw/zinc/55/70/25/583557025.db2.gz RXXUIKBDSXUWOX-WDEREUQCSA-N 1 3 253.346 -0.377 20 0 CBADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000852857085 583561865 /nfs/dbraw/zinc/56/18/65/583561865.db2.gz ZBWRYUSPBLTAKP-LLVKDONJSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852860630 583562443 /nfs/dbraw/zinc/56/24/43/583562443.db2.gz TUPNWJWOZSSAMT-WDEREUQCSA-N 1 3 268.361 -0.110 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852860630 583562444 /nfs/dbraw/zinc/56/24/44/583562444.db2.gz TUPNWJWOZSSAMT-WDEREUQCSA-N 1 3 268.361 -0.110 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852860645 583562550 /nfs/dbraw/zinc/56/25/50/583562550.db2.gz TZJJQNMCPFWQAH-JTQLQIEISA-N 1 3 272.349 -0.826 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852860645 583562552 /nfs/dbraw/zinc/56/25/52/583562552.db2.gz TZJJQNMCPFWQAH-JTQLQIEISA-N 1 3 272.349 -0.826 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852860375 583562569 /nfs/dbraw/zinc/56/25/69/583562569.db2.gz DBSFIXQWGFJVBR-ONGXEEELSA-N 1 3 254.334 -0.454 20 0 CBADHO CC[NH+]1CCC(CNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852862147 583562829 /nfs/dbraw/zinc/56/28/29/583562829.db2.gz UUNQWCBEWUWWML-NSHDSACASA-N 1 3 268.361 -0.062 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852861764 583562862 /nfs/dbraw/zinc/56/28/62/583562862.db2.gz IYKFCZBIFRGXJK-QWRGUYRKSA-N 1 3 268.361 -0.064 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852861764 583562863 /nfs/dbraw/zinc/56/28/63/583562863.db2.gz IYKFCZBIFRGXJK-QWRGUYRKSA-N 1 3 268.361 -0.064 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852861763 583562886 /nfs/dbraw/zinc/56/28/86/583562886.db2.gz IYKFCZBIFRGXJK-MNOVXSKESA-N 1 3 268.361 -0.064 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852861763 583562888 /nfs/dbraw/zinc/56/28/88/583562888.db2.gz IYKFCZBIFRGXJK-MNOVXSKESA-N 1 3 268.361 -0.064 20 0 CBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000852864358 583563648 /nfs/dbraw/zinc/56/36/48/583563648.db2.gz TUURUPWSKKCJKK-SDDRHHMPSA-N 1 3 253.346 -0.297 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864766 583563660 /nfs/dbraw/zinc/56/36/60/583563660.db2.gz HLYGIPJBVFJHOB-WDEREUQCSA-N 1 3 266.345 -0.213 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864763 583563754 /nfs/dbraw/zinc/56/37/54/583563754.db2.gz HLYGIPJBVFJHOB-GHMZBOCLSA-N 1 3 266.345 -0.213 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)=NO1 ZINC000852864765 583563776 /nfs/dbraw/zinc/56/37/76/583563776.db2.gz HLYGIPJBVFJHOB-QWRGUYRKSA-N 1 3 266.345 -0.213 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865620 583563970 /nfs/dbraw/zinc/56/39/70/583563970.db2.gz JZUCHMBUROYGQY-MNOVXSKESA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865620 583563972 /nfs/dbraw/zinc/56/39/72/583563972.db2.gz JZUCHMBUROYGQY-MNOVXSKESA-N 1 3 266.345 -0.310 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@H](CN)C1)[N@H+](C)C1CC1 ZINC000852865165 583564180 /nfs/dbraw/zinc/56/41/80/583564180.db2.gz SVZNDBCIZQILNO-SCZZXKLOSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@H](CN)C1)[N@@H+](C)C1CC1 ZINC000852865165 583564181 /nfs/dbraw/zinc/56/41/81/583564181.db2.gz SVZNDBCIZQILNO-SCZZXKLOSA-N 1 3 254.334 -0.311 20 0 CBADHO CCN1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873309 583565511 /nfs/dbraw/zinc/56/55/11/583565511.db2.gz RIIORWAUNJRNHA-LBPRGKRZSA-N 1 3 297.403 -0.766 20 0 CBADHO NC[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)=NO1 ZINC000852875363 583565817 /nfs/dbraw/zinc/56/58/17/583565817.db2.gz IUAPXNRQQPYDLS-UKKRHICBSA-N 1 3 266.345 -0.324 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000852881541 583567065 /nfs/dbraw/zinc/56/70/65/583567065.db2.gz MHOLHWTUKHECKS-VGMNWLOBSA-N 1 3 263.288 -0.536 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852884887 583568413 /nfs/dbraw/zinc/56/84/13/583568413.db2.gz PTJLBMKANLVDQB-FOGDFJRCSA-N 1 3 268.361 -0.111 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852884887 583568414 /nfs/dbraw/zinc/56/84/14/583568414.db2.gz PTJLBMKANLVDQB-FOGDFJRCSA-N 1 3 268.361 -0.111 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852886176 583568717 /nfs/dbraw/zinc/56/87/17/583568717.db2.gz YTYPYVJCMWWFSE-UWVGGRQHSA-N 1 3 254.334 -0.357 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852886189 583568720 /nfs/dbraw/zinc/56/87/20/583568720.db2.gz YTYPYVJCMWWFSE-ZJUUUORDSA-N 1 3 254.334 -0.357 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@H](C[NH3+])C2CCCC2)=NO1 ZINC000852889521 583569668 /nfs/dbraw/zinc/56/96/68/583569668.db2.gz FGWCRAUEBZKPIV-MWLCHTKSSA-N 1 3 254.334 -0.276 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000857102657 583664809 /nfs/dbraw/zinc/66/48/09/583664809.db2.gz JFVQATJRRXTJLI-WDEREUQCSA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000857110292 583665506 /nfs/dbraw/zinc/66/55/06/583665506.db2.gz ROFCAQCDCVRHCT-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)CCN(C)C ZINC000857112181 583665783 /nfs/dbraw/zinc/66/57/83/583665783.db2.gz HJISCLLXQBAPTG-LBPRGKRZSA-N 1 3 273.425 -0.142 20 0 CBADHO C[NH+](C)C[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000858377724 583693358 /nfs/dbraw/zinc/69/33/58/583693358.db2.gz BSDPKHNJXRTWSS-MRVPVSSYSA-N 1 3 251.338 -0.186 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000861644895 583774893 /nfs/dbraw/zinc/77/48/93/583774893.db2.gz BCNJDSOEZRGAKC-JGVFFNPUSA-N 1 3 250.293 -0.028 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000861712829 583780498 /nfs/dbraw/zinc/78/04/98/583780498.db2.gz URBYTIKIQCAKSB-XQQFMLRXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000861712829 583780500 /nfs/dbraw/zinc/78/05/00/583780500.db2.gz URBYTIKIQCAKSB-XQQFMLRXSA-N 1 3 267.373 -0.394 20 0 CBADHO CCOC(=O)[C@H]1NCC[C@@H]1NCCOCCC[NH3+] ZINC000863548233 583846165 /nfs/dbraw/zinc/84/61/65/583846165.db2.gz VYAVICJISCFBSI-QWRGUYRKSA-N 1 3 259.350 -0.765 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000863749888 583852419 /nfs/dbraw/zinc/85/24/19/583852419.db2.gz DYGHQFKCLRVPNJ-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864057353 583866531 /nfs/dbraw/zinc/86/65/31/583866531.db2.gz NPLYZMMFDQOISI-SBEAFCBVSA-N 1 3 294.399 -0.187 20 0 CBADHO Cn1nnnc1CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866667862 583926504 /nfs/dbraw/zinc/92/65/04/583926504.db2.gz AGHLDDZWGUKCOV-ZDUSSCGKSA-N 1 3 294.403 -0.157 20 0 CBADHO Cn1nnnc1CCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866665986 583926538 /nfs/dbraw/zinc/92/65/38/583926538.db2.gz JVSKXQYCCWTVCW-TZMCWYRMSA-N 1 3 294.403 -0.029 20 0 CBADHO COC[C@@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711046 583928113 /nfs/dbraw/zinc/92/81/13/583928113.db2.gz AOAPJIFRUFRUSB-LPWJVIDDSA-N 1 3 299.371 -0.485 20 0 CBADHO CN(C)C(=O)CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712142 583928121 /nfs/dbraw/zinc/92/81/21/583928121.db2.gz RFDJAYZEHGUHKZ-TUAOUCFPSA-N 1 3 296.371 -0.668 20 0 CBADHO O=C1NCCO[C@@H]2CCCN(CC3CC[NH2+]CC3)[C@H]12 ZINC000866717462 583928721 /nfs/dbraw/zinc/92/87/21/583928721.db2.gz GFDSAXLPKUVQQE-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000866737422 583929712 /nfs/dbraw/zinc/92/97/12/583929712.db2.gz DSQHDHBDENRIBG-NSHDSACASA-N 1 3 263.407 -0.061 20 0 CBADHO COCCNCC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868041897 583969854 /nfs/dbraw/zinc/96/98/54/583969854.db2.gz HGJLGILQSNAOCV-UHFFFAOYSA-N 1 3 273.377 -0.503 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868405694 583977987 /nfs/dbraw/zinc/97/79/87/583977987.db2.gz JNGMSHACFOLVDD-UHFFFAOYSA-N 1 3 270.377 -0.654 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868421459 583979138 /nfs/dbraw/zinc/97/91/38/583979138.db2.gz LNMTYHBEXDIKCQ-NEPJUHHUSA-N 1 3 282.388 -0.641 20 0 CBADHO CN1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](CN)C1 ZINC000870938028 584022064 /nfs/dbraw/zinc/02/20/64/584022064.db2.gz DQXDVGMVLKHBJO-MBHSVXNSSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](CN)C1 ZINC000870938872 584022370 /nfs/dbraw/zinc/02/23/70/584022370.db2.gz VQJYVTOIMHROAT-GRYCIOLGSA-N 1 3 254.378 -0.395 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872263067 584052391 /nfs/dbraw/zinc/05/23/91/584052391.db2.gz IHTGFDMAICUZJF-OKILXGFUSA-N 1 3 277.372 -0.050 20 0 CBADHO CC1(C)CCNCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000872297903 584054830 /nfs/dbraw/zinc/05/48/30/584054830.db2.gz YNZWKLFBKCAXKF-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873265384 584069601 /nfs/dbraw/zinc/06/96/01/584069601.db2.gz HOIASCSHEIBATD-NQBHXWOUSA-N 1 3 269.345 -0.916 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000873267228 584069714 /nfs/dbraw/zinc/06/97/14/584069714.db2.gz YFOYUUDTDYKGSE-NFAWXSAZSA-N 1 3 297.399 -0.408 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000873267230 584069808 /nfs/dbraw/zinc/06/98/08/584069808.db2.gz YFOYUUDTDYKGSE-VNHYZAJKSA-N 1 3 297.399 -0.408 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876515319 584130547 /nfs/dbraw/zinc/13/05/47/584130547.db2.gz OOUQYVJMQLNLSB-SNVBAGLBSA-N 1 3 251.334 -0.249 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000876743677 584141593 /nfs/dbraw/zinc/14/15/93/584141593.db2.gz HHHVDRZUUARRLO-XPCVCDNBSA-N 1 3 297.399 -0.267 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000876742444 584141807 /nfs/dbraw/zinc/14/18/07/584141807.db2.gz UMFLQSPVQALBPQ-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876745071 584141930 /nfs/dbraw/zinc/14/19/30/584141930.db2.gz YPZOFERSIFZYSP-UMSGYPCISA-N 1 3 285.363 -0.087 20 0 CBADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCOC1 ZINC000876743775 584141948 /nfs/dbraw/zinc/14/19/48/584141948.db2.gz IMKIHGQROBSONG-UMVBOHGHSA-N 1 3 297.399 -0.279 20 0 CBADHO CC[N@H+](CCNC(=O)CN1CCNCC1)C(C)C ZINC000876750141 584142205 /nfs/dbraw/zinc/14/22/05/584142205.db2.gz TVKYNLDDYVRYHP-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[N@@H+](CCNC(=O)CN1CCNCC1)C(C)C ZINC000876750141 584142207 /nfs/dbraw/zinc/14/22/07/584142207.db2.gz TVKYNLDDYVRYHP-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876782237 584144194 /nfs/dbraw/zinc/14/41/94/584144194.db2.gz VBBXGIZDWIGVAQ-CHWSQXEVSA-N 1 3 286.395 -0.312 20 0 CBADHO COCCNCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876792769 584144899 /nfs/dbraw/zinc/14/48/99/584144899.db2.gz YYJDCAKHMSVJDZ-QMAVJUDZSA-N 1 3 255.362 -0.106 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793008 584145107 /nfs/dbraw/zinc/14/51/07/584145107.db2.gz CQRJDQRNCNVSTL-NSHDSACASA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876794531 584145203 /nfs/dbraw/zinc/14/52/03/584145203.db2.gz XBWYRXQSUJJCNB-PWSUYJOCSA-N 1 3 277.372 -0.275 20 0 CBADHO O=C(CN1CCNCC1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800425 584145565 /nfs/dbraw/zinc/14/55/65/584145565.db2.gz MUUDBZBQBBGMIK-UHFFFAOYSA-N 1 3 292.387 -0.349 20 0 CBADHO COCC1(CNC(=O)[C@@H](N)CN(C)C)CC[NH2+]CC1 ZINC000876842665 584148422 /nfs/dbraw/zinc/14/84/22/584148422.db2.gz DUIZOEUZPGLONX-NSHDSACASA-N 1 3 272.393 -0.992 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841032 584148509 /nfs/dbraw/zinc/14/85/09/584148509.db2.gz IWPTZOZZJTTWMQ-WCQYABFASA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@]1(C(=O)N[C@H]2CNCCC2(F)F)CCCOC1 ZINC000876866341 584151044 /nfs/dbraw/zinc/15/10/44/584151044.db2.gz RSXTWMDKYYVDAU-GXSJLCMTSA-N 1 3 277.315 -0.145 20 0 CBADHO CN(C)CCn1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000876872119 584151853 /nfs/dbraw/zinc/15/18/53/584151853.db2.gz RGEKMHPXTQFGGC-YPMHNXCESA-N 1 3 277.372 -0.121 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](N)CN(C)C ZINC000876943093 584156993 /nfs/dbraw/zinc/15/69/93/584156993.db2.gz BODSPTVMEZHRDZ-LBPRGKRZSA-N 1 3 258.410 -0.031 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](N)CN(C)C ZINC000876943093 584156995 /nfs/dbraw/zinc/15/69/95/584156995.db2.gz BODSPTVMEZHRDZ-LBPRGKRZSA-N 1 3 258.410 -0.031 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000876950654 584157828 /nfs/dbraw/zinc/15/78/28/584157828.db2.gz RMFFTUNKTLXZPX-XJFOESAGSA-N 1 3 298.431 -0.237 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[NH2+]1 ZINC000877052934 584164217 /nfs/dbraw/zinc/16/42/17/584164217.db2.gz YSTIYZPXVIVANY-BDAKNGLRSA-N 1 3 263.345 -0.074 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116457 584167267 /nfs/dbraw/zinc/16/72/67/584167267.db2.gz YAXMOUSPLNYWNT-KGLIPLIRSA-N 1 3 298.431 -0.508 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153669 584168198 /nfs/dbraw/zinc/16/81/98/584168198.db2.gz XOYCFFWZRAVNHH-YPMHNXCESA-N 1 3 298.431 -0.020 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)=NO1 ZINC000877264864 584173827 /nfs/dbraw/zinc/17/38/27/584173827.db2.gz AYFNTQVSPMJULR-JBLDHEPKSA-N 1 3 266.345 -0.310 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279878 584175684 /nfs/dbraw/zinc/17/56/84/584175684.db2.gz AECSJHMYSZSELP-MDZLAQPJSA-N 1 3 282.388 -0.561 20 0 CBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@]1(F)CCNC1 ZINC000877335655 584178857 /nfs/dbraw/zinc/17/88/57/584178857.db2.gz DDPRPHBOGSAEBJ-RISCZKNCSA-N 1 3 285.363 -0.037 20 0 CBADHO CC(C)(N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877338763 584179064 /nfs/dbraw/zinc/17/90/64/584179064.db2.gz MIGUCEWTEPHROS-SNVBAGLBSA-N 1 3 255.362 -0.001 20 0 CBADHO COCCNCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371840 584179765 /nfs/dbraw/zinc/17/97/65/584179765.db2.gz WQBMHDCTRUJAMW-BDAKNGLRSA-N 1 3 283.294 -0.182 20 0 CBADHO C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@H]1N1CCN(C)CC1 ZINC000878324965 584199883 /nfs/dbraw/zinc/19/98/83/584199883.db2.gz PPAAOAYGQUJLCG-ZIAGYGMSSA-N 1 3 293.419 -0.369 20 0 CBADHO C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@H]1N1CCN(C)CC1 ZINC000878324965 584199886 /nfs/dbraw/zinc/19/98/86/584199886.db2.gz PPAAOAYGQUJLCG-ZIAGYGMSSA-N 1 3 293.419 -0.369 20 0 CBADHO CNC(=O)[C@]1(C)CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878548658 584207985 /nfs/dbraw/zinc/20/79/85/584207985.db2.gz ZVJOVVNPTNIENA-OAHLLOKOSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000879996251 584258789 /nfs/dbraw/zinc/25/87/89/584258789.db2.gz IMMOMNJKCQEPJZ-ZDUSSCGKSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879998381 584259104 /nfs/dbraw/zinc/25/91/04/584259104.db2.gz RKFTYVHNAXLEIE-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879998381 584259106 /nfs/dbraw/zinc/25/91/06/584259106.db2.gz RKFTYVHNAXLEIE-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCNC1=O ZINC000880663782 584285642 /nfs/dbraw/zinc/28/56/42/584285642.db2.gz DWNIELDJDXTMSL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCNC1=O ZINC000880663782 584285643 /nfs/dbraw/zinc/28/56/43/584285643.db2.gz DWNIELDJDXTMSL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCNC1=O ZINC000880663783 584285666 /nfs/dbraw/zinc/28/56/66/584285666.db2.gz DWNIELDJDXTMSL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCNC1=O ZINC000880663783 584285667 /nfs/dbraw/zinc/28/56/67/584285667.db2.gz DWNIELDJDXTMSL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCn2cnnn2)CC1 ZINC000883431799 584342025 /nfs/dbraw/zinc/34/20/25/584342025.db2.gz DNWQEGOHSIIMSN-OLZOCXBDSA-N 1 3 280.376 -0.109 20 0 CBADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCNCC1 ZINC000884009033 584355444 /nfs/dbraw/zinc/35/54/44/584355444.db2.gz JQZUBFJVKUNZHJ-UHFFFAOYSA-N 1 3 289.383 -0.073 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)c1ccnc(N2CCNCC2)c1 ZINC000884016265 584355952 /nfs/dbraw/zinc/35/59/52/584355952.db2.gz RKZRCBKQKSEFJH-GFCCVEGCSA-N 1 3 275.356 -0.417 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884234045 584368852 /nfs/dbraw/zinc/36/88/52/584368852.db2.gz GEELBPFLVYUCGX-ZDUSSCGKSA-N 1 3 282.432 -0.014 20 0 CBADHO C[C@H]([NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884275006 584371504 /nfs/dbraw/zinc/37/15/04/584371504.db2.gz ZZXYHMKMIFSUJF-JTQLQIEISA-N 1 3 263.345 -0.432 20 0 CBADHO N[C@@H](CC1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884289163 584372281 /nfs/dbraw/zinc/37/22/81/584372281.db2.gz VDFUGSWXBRXKHX-OLZOCXBDSA-N 1 3 266.389 -0.380 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000884358788 584376104 /nfs/dbraw/zinc/37/61/04/584376104.db2.gz YAGBWPSURHSTPC-ZJUUUORDSA-N 1 3 263.345 -0.089 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC1=O ZINC000884356211 584376215 /nfs/dbraw/zinc/37/62/15/584376215.db2.gz AGUMSCHPCFAHHH-UTUOFQBUSA-N 1 3 296.415 -0.362 20 0 CBADHO CC1(C)[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[C@@H]1[NH3+] ZINC000884358787 584376267 /nfs/dbraw/zinc/37/62/67/584376267.db2.gz YAGBWPSURHSTPC-VHSXEESVSA-N 1 3 263.345 -0.089 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884405733 584379569 /nfs/dbraw/zinc/37/95/69/584379569.db2.gz BMVNWGDDXWTDSF-LBPRGKRZSA-N 1 3 298.431 -0.290 20 0 CBADHO C[C@@]1(NC(=O)c2ccnc(N3CCNCC3)c2)CC[NH2+]C1 ZINC000884422480 584380799 /nfs/dbraw/zinc/38/07/99/584380799.db2.gz XVFKQFWLNGQVCH-OAHLLOKOSA-N 1 3 289.383 -0.027 20 0 CBADHO COCC[C@@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000884463226 584382918 /nfs/dbraw/zinc/38/29/18/584382918.db2.gz AHBIVWCETFJNEB-GFCCVEGCSA-N 1 3 293.371 -0.207 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884555314 584387886 /nfs/dbraw/zinc/38/78/86/584387886.db2.gz ONGABHACFMFRNJ-UHTWSYAYSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N(C)C1CC1 ZINC000884616903 584391049 /nfs/dbraw/zinc/39/10/49/584391049.db2.gz DTVJRCJEWNCXGV-VWYCJHECSA-N 1 3 282.388 -0.467 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884617651 584391080 /nfs/dbraw/zinc/39/10/80/584391080.db2.gz PRBLHQWRLBHBAB-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884617653 584391135 /nfs/dbraw/zinc/39/11/35/584391135.db2.gz PRBLHQWRLBHBAB-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884617450 584391206 /nfs/dbraw/zinc/39/12/06/584391206.db2.gz MSAMBCRNKLQJGX-XQQFMLRXSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1=CCN(C)CC1 ZINC000884623646 584391323 /nfs/dbraw/zinc/39/13/23/584391323.db2.gz KKISJEDITRKALB-NSHDSACASA-N 1 3 296.415 -0.003 20 0 CBADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCN)CC1 ZINC000884671942 584394025 /nfs/dbraw/zinc/39/40/25/584394025.db2.gz DAHISZRELUEHNB-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000884693363 584398029 /nfs/dbraw/zinc/39/80/29/584398029.db2.gz WTEABCPXEDWWBE-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884704400 584398861 /nfs/dbraw/zinc/39/88/61/584398861.db2.gz FSRVHYDYVGTADY-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884704824 584399184 /nfs/dbraw/zinc/39/91/84/584399184.db2.gz UZCMNRBZBWMBNT-CDWSIMAYSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884705319 584399476 /nfs/dbraw/zinc/39/94/76/584399476.db2.gz PFJVQKYSFISWNM-GARJFASQSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884705319 584399479 /nfs/dbraw/zinc/39/94/79/584399479.db2.gz PFJVQKYSFISWNM-GARJFASQSA-N 1 3 268.361 -0.998 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC1(C)C ZINC000884707069 584399607 /nfs/dbraw/zinc/39/96/07/584399607.db2.gz XENQYIWUMICLCO-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000887064684 584460588 /nfs/dbraw/zinc/46/05/88/584460588.db2.gz MYRUYFZUUOZDFC-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(C)CCN1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891340986 584579419 /nfs/dbraw/zinc/57/94/19/584579419.db2.gz XEYCZWKTWXWWEW-KBPBESRZSA-N 1 3 295.431 -0.232 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891492802 584582526 /nfs/dbraw/zinc/58/25/26/584582526.db2.gz JGALZLNACHFPME-WDEREUQCSA-N 1 3 258.366 -0.304 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513944 584583419 /nfs/dbraw/zinc/58/34/19/584583419.db2.gz KHPDEANIMLUKMJ-LPWJVIDDSA-N 1 3 282.388 -0.114 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891560432 584586277 /nfs/dbraw/zinc/58/62/77/584586277.db2.gz NNGQAVIUQZPMNF-NHCYSSNCSA-N 1 3 250.346 -0.021 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891560433 584586398 /nfs/dbraw/zinc/58/63/98/584586398.db2.gz NNGQAVIUQZPMNF-SCVCMEIPSA-N 1 3 250.346 -0.021 20 0 CBADHO C[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891604222 584587831 /nfs/dbraw/zinc/58/78/31/584587831.db2.gz WLGWMKRLMKCOPU-MGPQQGTHSA-N 1 3 297.447 -0.094 20 0 CBADHO CN1CCC(C[N@H+](CCO)CCN2CCOCC2)CC1 ZINC000891744692 584591123 /nfs/dbraw/zinc/59/11/23/584591123.db2.gz YOAHIBSFOYFUAA-UHFFFAOYSA-N 1 3 285.432 -0.045 20 0 CBADHO CN1CCC(C[N@@H+](CCO)CCN2CCOCC2)CC1 ZINC000891744692 584591125 /nfs/dbraw/zinc/59/11/25/584591125.db2.gz YOAHIBSFOYFUAA-UHFFFAOYSA-N 1 3 285.432 -0.045 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000892049143 584601175 /nfs/dbraw/zinc/60/11/75/584601175.db2.gz SCWNDDIGYDWVIJ-NWDGAFQWSA-N 1 3 284.404 -0.132 20 0 CBADHO CCN(C(=O)NCCNCCOC)[C@@H]1CC[NH2+]C1 ZINC000892054478 584601913 /nfs/dbraw/zinc/60/19/13/584601913.db2.gz CRZUHRKWVOAYIW-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892056814 584602366 /nfs/dbraw/zinc/60/23/66/584602366.db2.gz VISYZHQPGXUGCU-MNOVXSKESA-N 1 3 272.393 -0.132 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892087954 584603880 /nfs/dbraw/zinc/60/38/80/584603880.db2.gz FWCACGSJWFTAPS-UWVGGRQHSA-N 1 3 258.366 -0.522 20 0 CBADHO [NH3+]CC1(NC(=O)NC[C@H]2CNCCO2)CCCCC1 ZINC000892181797 584607719 /nfs/dbraw/zinc/60/77/19/584607719.db2.gz VHMIYKOJUHVORU-LLVKDONJSA-N 1 3 270.377 -0.064 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892178482 584607822 /nfs/dbraw/zinc/60/78/22/584607822.db2.gz DNWMRBNBDYBTQI-OUAUKWLOSA-N 1 3 254.334 -0.879 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892183111 584607990 /nfs/dbraw/zinc/60/79/90/584607990.db2.gz BURGXJUGFSHCDP-QJPTWQEYSA-N 1 3 268.361 -0.489 20 0 CBADHO CCN(C(=O)NC[C@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000892190284 584609109 /nfs/dbraw/zinc/60/91/09/584609109.db2.gz XWHXTZZRQSLRAC-WDEREUQCSA-N 1 3 256.350 -0.632 20 0 CBADHO CN1CCN(C)CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000892237713 584611133 /nfs/dbraw/zinc/61/11/33/584611133.db2.gz OKQPXOKFOOIZMG-CQSZACIVSA-N 1 3 297.447 -0.031 20 0 CBADHO CN1CCN(C)CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892237713 584611136 /nfs/dbraw/zinc/61/11/36/584611136.db2.gz OKQPXOKFOOIZMG-CQSZACIVSA-N 1 3 297.447 -0.031 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000892562180 584618974 /nfs/dbraw/zinc/61/89/74/584618974.db2.gz BTONIIWEIYXIGR-PHIMTYICSA-N 1 3 263.345 -0.048 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@@H+]1C ZINC000896617781 584703993 /nfs/dbraw/zinc/70/39/93/584703993.db2.gz KADYEDBESCXMMB-KGLIPLIRSA-N 1 3 297.447 -0.032 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@H+]1C ZINC000896617781 584703994 /nfs/dbraw/zinc/70/39/94/584703994.db2.gz KADYEDBESCXMMB-KGLIPLIRSA-N 1 3 297.447 -0.032 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000897495192 584718238 /nfs/dbraw/zinc/71/82/38/584718238.db2.gz SMNDTNYIUGEBTO-OCCSQVGLSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000897495192 584718239 /nfs/dbraw/zinc/71/82/39/584718239.db2.gz SMNDTNYIUGEBTO-OCCSQVGLSA-N 1 3 284.404 -0.164 20 0 CBADHO CN1CCN(C)CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000899653230 584762481 /nfs/dbraw/zinc/76/24/81/584762481.db2.gz PJFHUTJFBCGULU-UHFFFAOYSA-N 1 3 287.477 -0.398 20 0 CBADHO COCCN(C)CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900519216 584809697 /nfs/dbraw/zinc/80/96/97/584809697.db2.gz WKOILTTWOSBFEK-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO COCCN(C)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900519216 584809698 /nfs/dbraw/zinc/80/96/98/584809698.db2.gz WKOILTTWOSBFEK-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NCCOCC[NH+](C)C)C1 ZINC000901341431 584862031 /nfs/dbraw/zinc/86/20/31/584862031.db2.gz OCDUVNHCLJGJAS-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NC(C)C)C2 ZINC000903490678 584891652 /nfs/dbraw/zinc/89/16/52/584891652.db2.gz CUGSYFLLFNWWFC-WDMOLILDSA-N 1 3 283.372 -0.277 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@@H]1CCCNC1)C2 ZINC000903576485 584893844 /nfs/dbraw/zinc/89/38/44/584893844.db2.gz LMKLYYPHOWTMKH-FIQHERPVSA-N 1 3 273.402 -0.120 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903735129 584896547 /nfs/dbraw/zinc/89/65/47/584896547.db2.gz IBNJAIACZUDCMR-RYUDHWBXSA-N 1 3 296.415 -0.265 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903749719 584897395 /nfs/dbraw/zinc/89/73/95/584897395.db2.gz PKEAYMHUTZKBTA-IPYPFGDCSA-N 1 3 297.399 -0.408 20 0 CBADHO CN(C)C(=O)[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756448 584897719 /nfs/dbraw/zinc/89/77/19/584897719.db2.gz RUGYCPYMYBTXDG-KCQAQPDRSA-N 1 3 296.415 -0.883 20 0 CBADHO CC(=O)N[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903768650 584898019 /nfs/dbraw/zinc/89/80/19/584898019.db2.gz OHZDIXBXQWIGEC-MCIONIFRSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000903780699 584899315 /nfs/dbraw/zinc/89/93/15/584899315.db2.gz BRASJXDWYJJOTD-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@](Cn1cccn1)(NCC[C@@H]1CC[NH2+]C1)C(N)=O ZINC000903829581 584901195 /nfs/dbraw/zinc/90/11/95/584901195.db2.gz HYVDHLHKLFFEFE-WCQYABFASA-N 1 3 265.361 -0.284 20 0 CBADHO N[C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCCCNC(=O)CC2)C1 ZINC000903830057 584901242 /nfs/dbraw/zinc/90/12/42/584901242.db2.gz RQKLWTVAZMTJJC-SRVKXCTJSA-N 1 3 255.362 -0.171 20 0 CBADHO N[C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCCCNC(=O)CC2)C1 ZINC000903830057 584901244 /nfs/dbraw/zinc/90/12/44/584901244.db2.gz RQKLWTVAZMTJJC-SRVKXCTJSA-N 1 3 255.362 -0.171 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCCCCNC(=O)CC2)C1 ZINC000903830057 584901245 /nfs/dbraw/zinc/90/12/45/584901245.db2.gz RQKLWTVAZMTJJC-SRVKXCTJSA-N 1 3 255.362 -0.171 20 0 CBADHO C[C@](Cn1cccn1)(NC[C@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000903829608 584901297 /nfs/dbraw/zinc/90/12/97/584901297.db2.gz IHQSTMAZMLENSB-DGCLKSJQSA-N 1 3 293.371 -0.762 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCC(=O)N1CCNCC1 ZINC000903853077 584902055 /nfs/dbraw/zinc/90/20/55/584902055.db2.gz CYADEHDMDYWGMV-TZMCWYRMSA-N 1 3 266.389 -0.379 20 0 CBADHO NC[C@]12CC[C@@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000903853077 584902056 /nfs/dbraw/zinc/90/20/56/584902056.db2.gz CYADEHDMDYWGMV-TZMCWYRMSA-N 1 3 266.389 -0.379 20 0 CBADHO NC[C@]12CC[C@@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000903853077 584902057 /nfs/dbraw/zinc/90/20/57/584902057.db2.gz CYADEHDMDYWGMV-TZMCWYRMSA-N 1 3 266.389 -0.379 20 0 CBADHO [NH3+]C[C@@]12CC[C@H]1CCN2CCC(=O)N1CCNCC1 ZINC000903853073 584902115 /nfs/dbraw/zinc/90/21/15/584902115.db2.gz CYADEHDMDYWGMV-JSGCOSHPSA-N 1 3 266.389 -0.379 20 0 CBADHO NC[C@@]12CC[C@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000903853073 584902116 /nfs/dbraw/zinc/90/21/16/584902116.db2.gz CYADEHDMDYWGMV-JSGCOSHPSA-N 1 3 266.389 -0.379 20 0 CBADHO NC[C@@]12CC[C@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000903853073 584902117 /nfs/dbraw/zinc/90/21/17/584902117.db2.gz CYADEHDMDYWGMV-JSGCOSHPSA-N 1 3 266.389 -0.379 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864475 584902505 /nfs/dbraw/zinc/90/25/05/584902505.db2.gz VKRJHPDTPSARGK-RDBSUJKOSA-N 1 3 271.405 -0.261 20 0 CBADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@H]2COC)CC1 ZINC000903876846 584903299 /nfs/dbraw/zinc/90/32/99/584903299.db2.gz NVUSVKVUZQIRBF-AWEZNQCLSA-N 1 3 298.431 -0.493 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000903953616 584905110 /nfs/dbraw/zinc/90/51/10/584905110.db2.gz HCUVWMLSUCSYMO-FQUUOJAGSA-N 1 3 281.400 -0.114 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000903953616 584905111 /nfs/dbraw/zinc/90/51/11/584905111.db2.gz HCUVWMLSUCSYMO-FQUUOJAGSA-N 1 3 281.400 -0.114 20 0 CBADHO CC(C)[C@H](CN)C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970023 584905364 /nfs/dbraw/zinc/90/53/64/584905364.db2.gz OWTYDVLIODCSRL-VXGBXAGGSA-N 1 3 277.434 -0.416 20 0 CBADHO CC(C)[C@H](C[NH3+])CNCC[C@@H]1CNCCS1(=O)=O ZINC000903970023 584905366 /nfs/dbraw/zinc/90/53/66/584905366.db2.gz OWTYDVLIODCSRL-VXGBXAGGSA-N 1 3 277.434 -0.416 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000959855754 614346643 /nfs/dbraw/zinc/34/66/43/614346643.db2.gz LBKCAHJGAKNSOO-RQJABVFESA-N 1 3 281.400 -0.102 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000959855754 614346645 /nfs/dbraw/zinc/34/66/45/614346645.db2.gz LBKCAHJGAKNSOO-RQJABVFESA-N 1 3 281.400 -0.102 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC000970716394 615537978 /nfs/dbraw/zinc/53/79/78/615537978.db2.gz DAADZVHLRSAYIC-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970494251 615821643 /nfs/dbraw/zinc/82/16/43/615821643.db2.gz NQGTVGZWEHCYMD-NEPJUHHUSA-N 1 3 294.399 -0.463 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC000968907391 615840953 /nfs/dbraw/zinc/84/09/53/615840953.db2.gz LHACQOKTKXANIS-VXGBXAGGSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963157611 615855433 /nfs/dbraw/zinc/85/54/33/615855433.db2.gz PEGJBBXUYXFOGV-BPCQOVAHSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000968915260 615987962 /nfs/dbraw/zinc/98/79/62/615987962.db2.gz FUGDDFZGCBWXSG-NEPJUHHUSA-N 1 3 255.362 -0.491 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971201083 616113077 /nfs/dbraw/zinc/11/30/77/616113077.db2.gz LJKQIVIVBBBZCX-RYUDHWBXSA-N 1 3 255.362 -0.394 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000971201083 616113078 /nfs/dbraw/zinc/11/30/78/616113078.db2.gz LJKQIVIVBBBZCX-RYUDHWBXSA-N 1 3 255.362 -0.394 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981665675 616208751 /nfs/dbraw/zinc/20/87/51/616208751.db2.gz DQMUBSRGBVKYPV-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981665675 616208752 /nfs/dbraw/zinc/20/87/52/616208752.db2.gz DQMUBSRGBVKYPV-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000962308198 616393902 /nfs/dbraw/zinc/39/39/02/616393902.db2.gz OIEPYUSAFOSQLU-NMKXLXIOSA-N 1 3 267.373 -0.633 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000962308198 616393903 /nfs/dbraw/zinc/39/39/03/616393903.db2.gz OIEPYUSAFOSQLU-NMKXLXIOSA-N 1 3 267.373 -0.633 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715157244 656219067 /nfs/dbraw/zinc/21/90/67/656219067.db2.gz WWERKXFKBMOPTR-IUCAKERBSA-N 1 3 265.304 -0.479 20 0 CBADHO C[C@@H](NS(=O)(=O)N1CCNCC1)C1CC[NH2+]CC1 ZINC000923665649 658388268 /nfs/dbraw/zinc/38/82/68/658388268.db2.gz GEBTXWWSTYYMHM-SNVBAGLBSA-N 1 3 276.406 -0.886 20 0 CBADHO C[NH+](C)CC[C@H](NS(=O)(=O)C1CNC1)c1cccnc1 ZINC000923677355 658396278 /nfs/dbraw/zinc/39/62/78/658396278.db2.gz UMFCPRKRMBXWLJ-ZDUSSCGKSA-N 1 3 298.412 -0.034 20 0 CBADHO [NH3+]C1(CNS(=O)(=O)N2CCNCC2)CCCCC1 ZINC000923563817 658329923 /nfs/dbraw/zinc/32/99/23/658329923.db2.gz PEROORAPVYITQU-UHFFFAOYSA-N 1 3 276.406 -0.612 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923572758 658335328 /nfs/dbraw/zinc/33/53/28/658335328.db2.gz LGTUTPINDDNLCW-MNOVXSKESA-N 1 3 276.406 -0.804 20 0 CBADHO C[C@@H](NS(=O)(=O)C1CNC1)C(C)(C)C[NH+](C)C ZINC000923624498 658359207 /nfs/dbraw/zinc/35/92/07/658359207.db2.gz IXXYUGOSVKGXMF-SECBINFHSA-N 1 3 263.407 -0.146 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@@H]21 ZINC000923637823 658369382 /nfs/dbraw/zinc/36/93/82/658369382.db2.gz UQDPYVNHHCIWEQ-DVVUODLYSA-N 1 3 259.375 -0.653 20 0 CBADHO O=S(=O)(N[C@H]1CC[NH2+]C12CCCC2)N1CCNCC1 ZINC000923656904 658381257 /nfs/dbraw/zinc/38/12/57/658381257.db2.gz VTSZMLVROFDGMT-NSHDSACASA-N 1 3 288.417 -0.599 20 0 CBADHO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCCCN1 ZINC000925790037 658872170 /nfs/dbraw/zinc/87/21/70/658872170.db2.gz FGXWARPAEWGDJS-AGIUHOORSA-N 1 3 289.445 -0.117 20 0 CBADHO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H]1CCCCN1 ZINC000925788000 658872312 /nfs/dbraw/zinc/87/23/12/658872312.db2.gz FGXWARPAEWGDJS-RWMBFGLXSA-N 1 3 289.445 -0.117 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(CCCS(N)(=O)=O)C[C@@H]2C1 ZINC000931436580 659463800 /nfs/dbraw/zinc/46/38/00/659463800.db2.gz TZABIEBMFUAQER-MNOVXSKESA-N 1 3 261.391 -0.452 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(CCCS(N)(=O)=O)C[C@@H]2C1 ZINC000931436580 659463816 /nfs/dbraw/zinc/46/38/16/659463816.db2.gz TZABIEBMFUAQER-MNOVXSKESA-N 1 3 261.391 -0.452 20 0 CBADHO Cc1cc(N2CCC[N@H+](CCO)CC2)nc(N)n1 ZINC000034218906 656000141 /nfs/dbraw/zinc/00/01/41/656000141.db2.gz KOALMJBXKFHGCK-UHFFFAOYSA-N 1 3 251.334 -0.128 20 0 CBADHO Cc1cc(N2CCC[N@@H+](CCO)CC2)nc(N)n1 ZINC000034218906 656000146 /nfs/dbraw/zinc/00/01/46/656000146.db2.gz KOALMJBXKFHGCK-UHFFFAOYSA-N 1 3 251.334 -0.128 20 0 CBADHO O=S(=O)(NCCCN1CCCCC1)N1CC[NH2+]CC1 ZINC000040862045 656005944 /nfs/dbraw/zinc/00/59/44/656005944.db2.gz QDUPKATXBWOALH-UHFFFAOYSA-N 1 3 290.433 -0.398 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000091668583 656058750 /nfs/dbraw/zinc/05/87/50/656058750.db2.gz OCCUYDGQRPMBBO-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[NH2+]C1CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668833 656058858 /nfs/dbraw/zinc/05/88/58/656058858.db2.gz YNUIWWWBAQKRCL-VXGBXAGGSA-N 1 3 253.346 -0.282 20 0 CBADHO CC(C)[NH2+]CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668304 656059191 /nfs/dbraw/zinc/05/91/91/656059191.db2.gz ROVZDHFQGUTCGL-NEPJUHHUSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(C[NH2+]C1CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000091668835 656059241 /nfs/dbraw/zinc/05/92/41/656059241.db2.gz YNUIWWWBAQKRCL-NWDGAFQWSA-N 1 3 253.346 -0.282 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000232122309 656113612 /nfs/dbraw/zinc/11/36/12/656113612.db2.gz KSPAEKJXLRDOKD-WOPDTQHZSA-N 1 3 271.361 -0.670 20 0 CBADHO C[C@H]1CN(CC(=O)N2CCOCC2)CC[C@H]1C[NH3+] ZINC000251768664 656122549 /nfs/dbraw/zinc/12/25/49/656122549.db2.gz MFZNCADMCQOQMV-RYUDHWBXSA-N 1 3 255.362 -0.238 20 0 CBADHO CC(C)(C[NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252545949 656123158 /nfs/dbraw/zinc/12/31/58/656123158.db2.gz JYSICTHSVXUPOG-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000262024500 656128190 /nfs/dbraw/zinc/12/81/90/656128190.db2.gz GKNHKBNIFCQECW-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000702421349 656180859 /nfs/dbraw/zinc/18/08/59/656180859.db2.gz OGMMMIGQRIWVDT-JQWIXIFHSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000702421349 656180860 /nfs/dbraw/zinc/18/08/60/656180860.db2.gz OGMMMIGQRIWVDT-JQWIXIFHSA-N 1 3 254.378 -0.524 20 0 CBADHO CS(=O)(=O)N[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702951251 656182412 /nfs/dbraw/zinc/18/24/12/656182412.db2.gz BATYYCMSZAVHOJ-AXFHLTTASA-N 1 3 261.391 -0.263 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000707966059 656191179 /nfs/dbraw/zinc/19/11/79/656191179.db2.gz KRGSHRXXCBEITG-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CCC1C[NH2+]C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000709443191 656195765 /nfs/dbraw/zinc/19/57/65/656195765.db2.gz CDWPVGJZHNEUMB-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO COC(=O)[C@](C)(O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710607307 656199347 /nfs/dbraw/zinc/19/93/47/656199347.db2.gz OMRNHYKYYJSADH-GFCCVEGCSA-N 1 3 274.361 -0.701 20 0 CBADHO C[C@H](CCNC(=O)c1c(CN)cnn1C)[NH+](C)C ZINC000719265795 656234941 /nfs/dbraw/zinc/23/49/41/656234941.db2.gz PBSXSBTWSTXGPN-SECBINFHSA-N 1 3 253.350 -0.051 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCCN1 ZINC000877242070 656246161 /nfs/dbraw/zinc/24/61/61/656246161.db2.gz BKPSMRVTRGEJQH-LOWVWBTDSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399657 656247252 /nfs/dbraw/zinc/24/72/52/656247252.db2.gz OMSPJCQLMSHVRY-WZRBSPASSA-N 1 3 253.346 -0.234 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884787517 656254872 /nfs/dbraw/zinc/25/48/72/656254872.db2.gz UWNSOVKUIHZVLR-TUAOUCFPSA-N 1 3 282.388 -0.465 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000884787537 656255247 /nfs/dbraw/zinc/25/52/47/656255247.db2.gz VFDJIHIZIQUOFG-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884787562 656255382 /nfs/dbraw/zinc/25/53/82/656255382.db2.gz VOFXGBJJECVHFP-WOPDTQHZSA-N 1 3 280.372 -0.840 20 0 CBADHO CCNS(=O)(=O)[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329719 656325530 /nfs/dbraw/zinc/32/55/30/656325530.db2.gz RTQKSAIDHXFACE-AXFHLTTASA-N 1 3 261.391 -0.263 20 0 CBADHO C[C@@H]1C[C@H](CN2CCN3[C@@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433928 656327788 /nfs/dbraw/zinc/32/77/88/656327788.db2.gz QWNTYEZOHNTVMV-UTUOFQBUSA-N 1 3 288.417 -0.791 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905001994 656332459 /nfs/dbraw/zinc/33/24/59/656332459.db2.gz RNVBXDSNLFKFQH-BXUZGUMPSA-N 1 3 282.388 -0.654 20 0 CBADHO O[C@@H](C[NH2+]C[C@H](O)C1(O)CCCC1)CN1CCCC1 ZINC000905346415 656351224 /nfs/dbraw/zinc/35/12/24/656351224.db2.gz QEZMJVMQCLWXES-STQMWFEESA-N 1 3 272.389 -0.301 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905355110 656352483 /nfs/dbraw/zinc/35/24/83/656352483.db2.gz SFQWQYOJOOKJAQ-VXGBXAGGSA-N 1 3 260.378 -0.540 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679104 656451952 /nfs/dbraw/zinc/45/19/52/656451952.db2.gz PXWQTQWEJCNNHI-GWCFXTLKSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC000996997070 656463882 /nfs/dbraw/zinc/46/38/82/656463882.db2.gz DZBGAFPVZDGQMJ-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000997040671 656464700 /nfs/dbraw/zinc/46/47/00/656464700.db2.gz IICTWLBGIRTDNT-LBPRGKRZSA-N 1 3 293.371 -0.203 20 0 CBADHO O=C(CN1CCCC1)N1CCC([NH2+]CCO)CC1 ZINC000997307003 656472484 /nfs/dbraw/zinc/47/24/84/656472484.db2.gz KMQRGRMZYFHCQW-UHFFFAOYSA-N 1 3 255.362 -0.345 20 0 CBADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000907782575 656575247 /nfs/dbraw/zinc/57/52/47/656575247.db2.gz MNNVRUKQKGMVGB-ZDUSSCGKSA-N 1 3 266.345 -0.133 20 0 CBADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168498 656613984 /nfs/dbraw/zinc/61/39/84/656613984.db2.gz BSBKSXRQNZJLFA-CHWSQXEVSA-N 1 3 294.399 -0.606 20 0 CBADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168500 656614495 /nfs/dbraw/zinc/61/44/95/656614495.db2.gz BSBKSXRQNZJLFA-QWHCGFSZSA-N 1 3 294.399 -0.606 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC000999189574 656615765 /nfs/dbraw/zinc/61/57/65/656615765.db2.gz LOLGKJNWQCBMFV-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC000999189574 656615770 /nfs/dbraw/zinc/61/57/70/656615770.db2.gz LOLGKJNWQCBMFV-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999301882 656621159 /nfs/dbraw/zinc/62/11/59/656621159.db2.gz DMYZFHSLBGZDTH-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999301882 656621163 /nfs/dbraw/zinc/62/11/63/656621163.db2.gz DMYZFHSLBGZDTH-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999301885 656621288 /nfs/dbraw/zinc/62/12/88/656621288.db2.gz DMYZFHSLBGZDTH-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999301885 656621291 /nfs/dbraw/zinc/62/12/91/656621291.db2.gz DMYZFHSLBGZDTH-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999404122 656628302 /nfs/dbraw/zinc/62/83/02/656628302.db2.gz ZELNDKUAQNQACI-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999404122 656628306 /nfs/dbraw/zinc/62/83/06/656628306.db2.gz ZELNDKUAQNQACI-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999409822 656628543 /nfs/dbraw/zinc/62/85/43/656628543.db2.gz TUGXBGNAQWPNGI-UNXYVOJBSA-N 1 3 282.388 -0.608 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999404120 656628647 /nfs/dbraw/zinc/62/86/47/656628647.db2.gz ZELNDKUAQNQACI-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999404120 656628651 /nfs/dbraw/zinc/62/86/51/656628651.db2.gz ZELNDKUAQNQACI-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999832301 656656699 /nfs/dbraw/zinc/65/66/99/656656699.db2.gz CPLFEQYLXLFNSA-BPCQOVAHSA-N 1 3 294.399 -0.450 20 0 CBADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000531041 656733356 /nfs/dbraw/zinc/73/33/56/656733356.db2.gz JOHFAMSTCBJVDA-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000917759 656774146 /nfs/dbraw/zinc/77/41/46/656774146.db2.gz MHPROOIBWHSXPB-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000917759 656774154 /nfs/dbraw/zinc/77/41/54/656774154.db2.gz MHPROOIBWHSXPB-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)NCCN2CCC(O)CC2)C1 ZINC000909273711 656804461 /nfs/dbraw/zinc/80/44/61/656804461.db2.gz WBIXGJCUMAOXJF-UHFFFAOYSA-N 1 3 298.431 -0.947 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)NCCN2CCC(O)CC2)C1 ZINC000909273711 656804463 /nfs/dbraw/zinc/80/44/63/656804463.db2.gz WBIXGJCUMAOXJF-UHFFFAOYSA-N 1 3 298.431 -0.947 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCCCC1 ZINC000910946435 656910546 /nfs/dbraw/zinc/91/05/46/656910546.db2.gz LRIMHTQLCNTCBS-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCC(C)CC1 ZINC000911090401 656945623 /nfs/dbraw/zinc/94/56/23/656945623.db2.gz IDQKORYVXUEMPH-GFCCVEGCSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911161203 656967206 /nfs/dbraw/zinc/96/72/06/656967206.db2.gz IPVDIDIKNRDLRE-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911209063 656986796 /nfs/dbraw/zinc/98/67/96/656986796.db2.gz LSDGKCQJDZYOJD-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000911224195 656990108 /nfs/dbraw/zinc/99/01/08/656990108.db2.gz VHHXEUOZLXDSHL-JHJVBQTASA-N 1 3 294.399 -0.560 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000911275846 657006231 /nfs/dbraw/zinc/00/62/31/657006231.db2.gz ZNKKOZXQMVPBMJ-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000911282455 657010321 /nfs/dbraw/zinc/01/03/21/657010321.db2.gz QUUIYEXJDDNYHI-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911294710 657012913 /nfs/dbraw/zinc/01/29/13/657012913.db2.gz WDXSBQPEYDMDAQ-LBPRGKRZSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527513 657067418 /nfs/dbraw/zinc/06/74/18/657067418.db2.gz GPTGKNJFALWHMZ-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000911533784 657069596 /nfs/dbraw/zinc/06/95/96/657069596.db2.gz RHTFEMNBRPGPKG-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537459 657071235 /nfs/dbraw/zinc/07/12/35/657071235.db2.gz WJAYZMIFXJSJSO-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557906 657076879 /nfs/dbraw/zinc/07/68/79/657076879.db2.gz SQKJWAYGZCTRLR-HAQNSBGRSA-N 1 3 282.388 -0.606 20 0 CBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000911557908 657077024 /nfs/dbraw/zinc/07/70/24/657077024.db2.gz SRDIXLRCHQGZCX-JHJVBQTASA-N 1 3 294.399 -0.463 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001009507892 657077201 /nfs/dbraw/zinc/07/72/01/657077201.db2.gz INZYKNGMYKTVSA-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001009507892 657077203 /nfs/dbraw/zinc/07/72/03/657077203.db2.gz INZYKNGMYKTVSA-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911563775 657079192 /nfs/dbraw/zinc/07/91/92/657079192.db2.gz RHIMVIHLNSKGLR-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911633290 657090945 /nfs/dbraw/zinc/09/09/45/657090945.db2.gz GOARKKSTLZKYQS-NEPJUHHUSA-N 1 3 254.378 -0.652 20 0 CBADHO CN1CCNC[C@H]1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760432 657124436 /nfs/dbraw/zinc/12/44/36/657124436.db2.gz BCHXCASFEXYUEU-ZDUSSCGKSA-N 1 3 278.356 -0.134 20 0 CBADHO CC1(C)CNCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911849238 657147377 /nfs/dbraw/zinc/14/73/77/657147377.db2.gz ZBHDDHIGBGCNDQ-ZDUSSCGKSA-N 1 3 255.362 -0.299 20 0 CBADHO CN(C(=O)[C@@H]1CNCCN1C)C1CCC([NH3+])CC1 ZINC000911869592 657150020 /nfs/dbraw/zinc/15/00/20/657150020.db2.gz XURVIAIOQSXBAP-MCIGGMRASA-N 1 3 254.378 -0.382 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000911880025 657154561 /nfs/dbraw/zinc/15/45/61/657154561.db2.gz JULJATJYIOAYPL-AEJSXWLSSA-N 1 3 261.391 -0.359 20 0 CBADHO CN(CC[N@H+](C)CCO)C(=O)CN(C)C1CCC1 ZINC000912598668 657288859 /nfs/dbraw/zinc/28/88/59/657288859.db2.gz HOHYQKZWHAAFQH-UHFFFAOYSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(CC[N@@H+](C)CCO)C(=O)CN(C)C1CCC1 ZINC000912598668 657288863 /nfs/dbraw/zinc/28/88/63/657288863.db2.gz HOHYQKZWHAAFQH-UHFFFAOYSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCCN1C1CC1 ZINC000912603770 657292654 /nfs/dbraw/zinc/29/26/54/657292654.db2.gz CBKXRTRHLSJPJC-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1C1CC1 ZINC000912603770 657292656 /nfs/dbraw/zinc/29/26/56/657292656.db2.gz CBKXRTRHLSJPJC-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO CCN1CCN(CCNC(=S)NCC[NH+](C)C)CC1 ZINC000916016532 657757439 /nfs/dbraw/zinc/75/74/39/657757439.db2.gz RKVHOYLMWKHDKJ-UHFFFAOYSA-N 1 3 287.477 -0.350 20 0 CBADHO C[NH+](C)C1(CNC(=O)NC2CCN(CCO)CC2)CC1 ZINC000917837525 657818693 /nfs/dbraw/zinc/81/86/93/657818693.db2.gz NYDGNIWDWDQFER-UHFFFAOYSA-N 1 3 284.404 -0.164 20 0 CBADHO CN1CCN(C)[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000917960257 657821463 /nfs/dbraw/zinc/82/14/63/657821463.db2.gz OTMIYMYOBRRELL-NWDGAFQWSA-N 1 3 269.393 -0.765 20 0 CBADHO CN1CCN(C)[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000917960257 657821464 /nfs/dbraw/zinc/82/14/64/657821464.db2.gz OTMIYMYOBRRELL-NWDGAFQWSA-N 1 3 269.393 -0.765 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018634544 657829442 /nfs/dbraw/zinc/82/94/42/657829442.db2.gz JZGDZGMEZXULLK-QWHCGFSZSA-N 1 3 292.387 -0.437 20 0 CBADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001018971869 657855718 /nfs/dbraw/zinc/85/57/18/657855718.db2.gz XUPLFKRORJXKMC-JTQLQIEISA-N 1 3 268.361 -0.854 20 0 CBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001018971876 657856119 /nfs/dbraw/zinc/85/61/19/657856119.db2.gz YERRLNHFZBWINJ-AAEUAGOBSA-N 1 3 294.399 -0.450 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018990950 657856998 /nfs/dbraw/zinc/85/69/98/657856998.db2.gz RSXCSZRDSSAXSB-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018990950 657856999 /nfs/dbraw/zinc/85/69/99/657856999.db2.gz RSXCSZRDSSAXSB-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001019035032 657859301 /nfs/dbraw/zinc/85/93/01/657859301.db2.gz WQWICSMGCJRAEF-QJPTWQEYSA-N 1 3 282.388 -0.594 20 0 CBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019169974 657867627 /nfs/dbraw/zinc/86/76/27/657867627.db2.gz SXJUKSJWEBWJKN-FMPXUHTOSA-N 1 3 295.383 -0.968 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001019290082 657880533 /nfs/dbraw/zinc/88/05/33/657880533.db2.gz PJNYIGOSUGGDAG-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001019290082 657880534 /nfs/dbraw/zinc/88/05/34/657880534.db2.gz PJNYIGOSUGGDAG-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001019342816 657885780 /nfs/dbraw/zinc/88/57/80/657885780.db2.gz JCGOVZLUFYSQCT-RWMBFGLXSA-N 1 3 296.415 -0.348 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001019325070 657886449 /nfs/dbraw/zinc/88/64/49/657886449.db2.gz ISECFXUIYHYAEU-JQWIXIFHSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001019342817 657886495 /nfs/dbraw/zinc/88/64/95/657886495.db2.gz JCGOVZLUFYSQCT-YNEHKIRRSA-N 1 3 296.415 -0.348 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001019394307 657891248 /nfs/dbraw/zinc/89/12/48/657891248.db2.gz FANLVGJIIJWUMC-AVGNSLFASA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019384212 657891652 /nfs/dbraw/zinc/89/16/52/657891652.db2.gz XDYBAMQRSBJMQL-NEPJUHHUSA-N 1 3 255.362 -0.489 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001019397366 657893591 /nfs/dbraw/zinc/89/35/91/657893591.db2.gz WQWICSMGCJRAEF-TUAOUCFPSA-N 1 3 282.388 -0.594 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019775121 657936917 /nfs/dbraw/zinc/93/69/17/657936917.db2.gz YAXQXOBYRHGARB-RYUDHWBXSA-N 1 3 255.362 -0.347 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000922161171 658012700 /nfs/dbraw/zinc/01/27/00/658012700.db2.gz UFHFQDHOFRYGHK-NTZNESFSSA-N 1 3 255.362 -0.348 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000922161171 658012707 /nfs/dbraw/zinc/01/27/07/658012707.db2.gz UFHFQDHOFRYGHK-NTZNESFSSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020587691 658075305 /nfs/dbraw/zinc/07/53/05/658075305.db2.gz QRLOIWRGLKNLGF-IJLUTSLNSA-N 1 3 255.362 -0.300 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001020589074 658076468 /nfs/dbraw/zinc/07/64/68/658076468.db2.gz WFBQWJIXQBHJQS-WRWGMCAJSA-N 1 3 282.388 -0.561 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000923301151 658199322 /nfs/dbraw/zinc/19/93/22/658199322.db2.gz OUUYNRAVNXEDNE-RFGFWPKPSA-N 1 3 297.399 -0.592 20 0 CBADHO CCOC[C@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923347190 658220023 /nfs/dbraw/zinc/22/00/23/658220023.db2.gz ZORDHYROHYQCIK-CHWSQXEVSA-N 1 3 287.404 -0.297 20 0 CBADHO COC(=O)[C@H](NC(CN)C[NH3+])c1cccc(OC)c1 ZINC000923358566 658227693 /nfs/dbraw/zinc/22/76/93/658227693.db2.gz CWOJRKOYJHVRIX-GFCCVEGCSA-N 1 3 267.329 -0.215 20 0 CBADHO Cc1ccc(OC[C@@H](O)CNC(CN)C[NH3+])c(C)c1 ZINC000923355903 658229795 /nfs/dbraw/zinc/22/97/95/658229795.db2.gz FPQFWKZNXZROFT-ZDUSSCGKSA-N 1 3 267.373 -0.081 20 0 CBADHO COC(=O)N(C)CCN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387354 658250257 /nfs/dbraw/zinc/25/02/57/658250257.db2.gz DCTXAZXJTUVMAC-NSHDSACASA-N 1 3 271.361 -0.005 20 0 CBADHO C[NH2+]CCOCCN(C)CCN1C(=O)CN(C)C1=O ZINC000923402040 658258011 /nfs/dbraw/zinc/25/80/11/658258011.db2.gz STLTXAYNTVLNKE-UHFFFAOYSA-N 1 3 272.349 -0.952 20 0 CBADHO COCCCS(=O)(=O)NCCN1CC[C@@H](CC[NH3+])C1 ZINC000923480749 658302652 /nfs/dbraw/zinc/30/26/52/658302652.db2.gz CHYUWUAYOMQRBU-GFCCVEGCSA-N 1 3 293.433 -0.387 20 0 CBADHO O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)N1CC[NH2+]CC1 ZINC000923607974 658348613 /nfs/dbraw/zinc/34/86/13/658348613.db2.gz FXNVGDLOVMWUTG-GFCCVEGCSA-N 1 3 288.417 -0.790 20 0 CBADHO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610711 658349182 /nfs/dbraw/zinc/34/91/82/658349182.db2.gz WAXRGBJHAAGKMS-NWDGAFQWSA-N 1 3 273.402 -0.153 20 0 CBADHO C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610711 658349192 /nfs/dbraw/zinc/34/91/92/658349192.db2.gz WAXRGBJHAAGKMS-NWDGAFQWSA-N 1 3 273.402 -0.153 20 0 CBADHO CN(C)C[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923612120 658353683 /nfs/dbraw/zinc/35/36/83/658353683.db2.gz MQTPHOCWXJTGEN-NWDGAFQWSA-N 1 3 291.417 -0.669 20 0 CBADHO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923634865 658366696 /nfs/dbraw/zinc/36/66/96/658366696.db2.gz GUXAQNVXIIAYOD-NWDGAFQWSA-N 1 3 290.433 -0.366 20 0 CBADHO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)N1CCNCC1 ZINC000923645638 658373366 /nfs/dbraw/zinc/37/33/66/658373366.db2.gz NAJLUKJOKNYJOM-NSHDSACASA-N 1 3 276.406 -0.742 20 0 CBADHO C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@@H]1CC[NH3+] ZINC000923651087 658375934 /nfs/dbraw/zinc/37/59/34/658375934.db2.gz CWPOWZOAQFKXBN-NWDGAFQWSA-N 1 3 290.433 -0.414 20 0 CBADHO [NH3+]CC12CCC(CC1)N2S(=O)(=O)N1CCNCC1 ZINC000923666493 658390247 /nfs/dbraw/zinc/39/02/47/658390247.db2.gz HOTOMSOLGWRSKI-UHFFFAOYSA-N 1 3 274.390 -0.908 20 0 CBADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1C[NH3+] 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C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCC1 ZINC000987525982 659510860 /nfs/dbraw/zinc/51/08/60/659510860.db2.gz PTKVLMXVDUPBPH-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390106 659582756 /nfs/dbraw/zinc/58/27/56/659582756.db2.gz MSSQTFXUFZVAOR-ZYHUDNBSSA-N 1 3 282.388 -0.608 20 0 CBADHO O=C(N1CCCN(CCCO)CC1)C12CC[NH+](CC1)C2 ZINC000989492387 659589941 /nfs/dbraw/zinc/58/99/41/659589941.db2.gz LGZLQRBRISAGKI-UHFFFAOYSA-N 1 3 281.400 -0.001 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683561 659608468 /nfs/dbraw/zinc/60/84/68/659608468.db2.gz RDWMNIDONIHNDG-QWRGUYRKSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829705 659616751 /nfs/dbraw/zinc/61/67/51/659616751.db2.gz VGSWWFXJDQEHCO-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000935981878 659848974 /nfs/dbraw/zinc/84/89/74/659848974.db2.gz 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CC(C)[C@@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000995929974 659920454 /nfs/dbraw/zinc/92/04/54/659920454.db2.gz XVHQGEWXAGZKOP-YPMHNXCESA-N 1 3 298.431 -0.116 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076569009 805581337 /nfs/dbraw/zinc/58/13/37/805581337.db2.gz GPFSUCSLKSZNIJ-RWMBFGLXSA-N 1 3 267.373 -0.537 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076569009 805581342 /nfs/dbraw/zinc/58/13/42/805581342.db2.gz GPFSUCSLKSZNIJ-RWMBFGLXSA-N 1 3 267.373 -0.537 20 0 CBADHO COCCOC[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000234879777 790444303 /nfs/dbraw/zinc/44/43/03/790444303.db2.gz JWDYJDHLHQMLLI-FRRDWIJNSA-N 1 3 260.378 -0.073 20 0 CBADHO COC1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000386056985 790546244 /nfs/dbraw/zinc/54/62/44/790546244.db2.gz GMDSBRVWBGDCRN-STQMWFEESA-N 1 3 297.399 -0.266 20 0 CBADHO CCC[NH+]1CCC(NS(=O)(=O)C2CNC2)CC1 ZINC000405095954 790612725 /nfs/dbraw/zinc/61/27/25/790612725.db2.gz JKQZGYXMTIGRQR-UHFFFAOYSA-N 1 3 261.391 -0.248 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000405163645 790615469 /nfs/dbraw/zinc/61/54/69/790615469.db2.gz ZYZSPHHFQORBLW-ZYHUDNBSSA-N 1 3 273.402 -0.296 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000405163645 790615473 /nfs/dbraw/zinc/61/54/73/790615473.db2.gz ZYZSPHHFQORBLW-ZYHUDNBSSA-N 1 3 273.402 -0.296 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000692012306 790676379 /nfs/dbraw/zinc/67/63/79/790676379.db2.gz CCFUKJHJKPLGDP-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000705379270 790725254 /nfs/dbraw/zinc/72/52/54/790725254.db2.gz HWVLKVYMKXQQGQ-RWMBFGLXSA-N 1 3 260.378 -0.780 20 0 CBADHO CNC(=O)CN1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000709357264 790737039 /nfs/dbraw/zinc/73/70/39/790737039.db2.gz QDDOMQKJAVYMTR-DGCLKSJQSA-N 1 3 268.405 -0.073 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000720514013 790765749 /nfs/dbraw/zinc/76/57/49/790765749.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000720514013 790765757 /nfs/dbraw/zinc/76/57/57/790765757.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO COC[C@@H](C)OC[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844229 790801154 /nfs/dbraw/zinc/80/11/54/790801154.db2.gz LRUFLFYXMKNFLH-LPWJVIDDSA-N 1 3 260.378 -0.075 20 0 CBADHO C[C@H]1CN(C(=O)CN2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000723671351 790802157 /nfs/dbraw/zinc/80/21/57/790802157.db2.gz APHOGRNDWSQLBN-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CC[C@H](CC[NH3+])C2)CC1 ZINC000723694735 790803144 /nfs/dbraw/zinc/80/31/44/790803144.db2.gz HRZRLXHNKRMIQM-ZDUSSCGKSA-N 1 3 282.388 -0.652 20 0 CBADHO C[C@@H]1CN(C(=O)CN2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000723671353 790803462 /nfs/dbraw/zinc/80/34/62/790803462.db2.gz APHOGRNDWSQLBN-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO C[NH2+]CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000823977774 790857369 /nfs/dbraw/zinc/85/73/69/790857369.db2.gz YOVDAYBAHNPUFI-UHFFFAOYSA-N 1 3 276.406 -0.932 20 0 CBADHO CN(CCO)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000912598411 790915070 /nfs/dbraw/zinc/91/50/70/790915070.db2.gz DOKDTPUVZDEJQN-UHFFFAOYSA-N 1 3 297.403 -0.559 20 0 CBADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020675679 790939459 /nfs/dbraw/zinc/93/94/59/790939459.db2.gz ARDLCSNVKWBJJB-AVGNSLFASA-N 1 3 296.415 -0.029 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022715976 791041137 /nfs/dbraw/zinc/04/11/37/791041137.db2.gz OZQFXYJTPGIYSB-XQHKEYJVSA-N 1 3 269.389 -0.054 20 0 CBADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175370 805847850 /nfs/dbraw/zinc/84/78/50/805847850.db2.gz YLVXEMLSZOUZOZ-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175370 805847858 /nfs/dbraw/zinc/84/78/58/805847858.db2.gz YLVXEMLSZOUZOZ-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977008 814927353 /nfs/dbraw/zinc/92/73/53/814927353.db2.gz GDYTYLGRIIDCCQ-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977832 814927987 /nfs/dbraw/zinc/92/79/87/814927987.db2.gz XWGPPUABDSLZNS-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO CC[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994743 814929230 /nfs/dbraw/zinc/92/92/30/814929230.db2.gz NWUIZOLMRNBLQY-JTQLQIEISA-N 1 3 268.361 -0.948 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001082557618 806186013 /nfs/dbraw/zinc/18/60/13/806186013.db2.gz TYLQYWIGMQKKCH-IJLUTSLNSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCO ZINC001082559311 806186422 /nfs/dbraw/zinc/18/64/22/806186422.db2.gz AYLYEJMAXXGWFD-RTXFEEFZSA-N 1 3 269.389 -0.245 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(N)=O ZINC001082705417 806191804 /nfs/dbraw/zinc/19/18/04/806191804.db2.gz BIIOCBGAPKYWHD-MROQNXINSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(N)=O ZINC001082705417 806191809 /nfs/dbraw/zinc/19/18/09/806191809.db2.gz BIIOCBGAPKYWHD-MROQNXINSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001147995059 814929696 /nfs/dbraw/zinc/92/96/96/814929696.db2.gz XMAOETBPOIPIRQ-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957481 806471147 /nfs/dbraw/zinc/47/11/47/806471147.db2.gz APJKHGANAFSJFF-OLZOCXBDSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001084053533 806481590 /nfs/dbraw/zinc/48/15/90/806481590.db2.gz BBMHUGMXOOJQBU-UPJWGTAASA-N 1 3 267.373 -0.491 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001084053533 806481599 /nfs/dbraw/zinc/48/15/99/806481599.db2.gz BBMHUGMXOOJQBU-UPJWGTAASA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778038 806534639 /nfs/dbraw/zinc/53/46/39/806534639.db2.gz CASNHUCZPQBSAG-MGPQQGTHSA-N 1 3 293.411 -0.004 20 0 CBADHO O=C(N1C[C@H]2CCN(CCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778381 806535050 /nfs/dbraw/zinc/53/50/50/806535050.db2.gz UYSNJIPBDDIFMJ-ZIAGYGMSSA-N 1 3 293.411 -0.003 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085393797 806555237 /nfs/dbraw/zinc/55/52/37/806555237.db2.gz KTNZVSGTDLOGQK-YNEHKIRRSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085393797 806555245 /nfs/dbraw/zinc/55/52/45/806555245.db2.gz KTNZVSGTDLOGQK-YNEHKIRRSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022806804 798842282 /nfs/dbraw/zinc/84/22/82/798842282.db2.gz ARDLCSNVKWBJJB-XQQFMLRXSA-N 1 3 296.415 -0.029 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001023024894 798874486 /nfs/dbraw/zinc/87/44/86/798874486.db2.gz KUNLEYFPFMEWEZ-AOOOYVTPSA-N 1 3 252.318 -0.510 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001023025041 798875021 /nfs/dbraw/zinc/87/50/21/798875021.db2.gz RSPKIMYOZPXYCX-IEBDPFPHSA-N 1 3 266.345 -0.122 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023131011 798885515 /nfs/dbraw/zinc/88/55/15/798885515.db2.gz SUAAEHKRKUYAQA-TUAOUCFPSA-N 1 3 282.388 -0.417 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023128670 798885810 /nfs/dbraw/zinc/88/58/10/798885810.db2.gz OBEZOPXPIHQYGN-NDBYEHHHSA-N 1 3 296.415 -0.029 20 0 CBADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799046 798976799 /nfs/dbraw/zinc/97/67/99/798976799.db2.gz QLHFHQFOPFVXOK-RGDJUOJXSA-N 1 3 279.384 -0.084 20 0 CBADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799046 798976803 /nfs/dbraw/zinc/97/68/03/798976803.db2.gz QLHFHQFOPFVXOK-RGDJUOJXSA-N 1 3 279.384 -0.084 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026148919 798992337 /nfs/dbraw/zinc/99/23/37/798992337.db2.gz FNBCLCWPVSVQQN-NTASLKFISA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026148919 798992345 /nfs/dbraw/zinc/99/23/45/798992345.db2.gz FNBCLCWPVSVQQN-NTASLKFISA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001026148921 798992840 /nfs/dbraw/zinc/99/28/40/798992840.db2.gz FNBCLCWPVSVQQN-XOBFJNJYSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001026148921 798992842 /nfs/dbraw/zinc/99/28/42/798992842.db2.gz FNBCLCWPVSVQQN-XOBFJNJYSA-N 1 3 281.400 -0.102 20 0 CBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026366983 799001315 /nfs/dbraw/zinc/00/13/15/799001315.db2.gz RSQAOBLBBSTODP-CYZMBNFOSA-N 1 3 278.356 -0.229 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027091952 799030522 /nfs/dbraw/zinc/03/05/22/799030522.db2.gz XBRYKAMHVBWSGF-JQWIXIFHSA-N 1 3 291.355 -0.721 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCO)C12CC[NH+](CC1)C2 ZINC001028267687 799119054 /nfs/dbraw/zinc/11/90/54/799119054.db2.gz LLXCJWPSZHNVLW-LBPRGKRZSA-N 1 3 267.373 -0.345 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001030019492 799211172 /nfs/dbraw/zinc/21/11/72/799211172.db2.gz YZCCFHXONFNJEC-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001030021607 799214483 /nfs/dbraw/zinc/21/44/83/799214483.db2.gz FKHMPERYHUUPLC-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688226 799533153 /nfs/dbraw/zinc/53/31/53/799533153.db2.gz ATDJGQLZPRXDJQ-UONOGXRCSA-N 1 3 297.399 -0.720 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688226 799533158 /nfs/dbraw/zinc/53/31/58/799533158.db2.gz ATDJGQLZPRXDJQ-UONOGXRCSA-N 1 3 297.399 -0.720 20 0 CBADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(CCO)C1 ZINC001033398160 799751167 /nfs/dbraw/zinc/75/11/67/799751167.db2.gz WCNUMPOKZNMMLF-ZDUSSCGKSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001034040571 799806435 /nfs/dbraw/zinc/80/64/35/799806435.db2.gz VNLDUTZGIXDFTA-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001034040571 799806440 /nfs/dbraw/zinc/80/64/40/799806440.db2.gz VNLDUTZGIXDFTA-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)N(C)C ZINC001048888715 801978542 /nfs/dbraw/zinc/97/85/42/801978542.db2.gz VMIGUOFMNFOMMA-FRRDWIJNSA-N 1 3 269.389 -0.291 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N(C)C ZINC001048888715 801978547 /nfs/dbraw/zinc/97/85/47/801978547.db2.gz VMIGUOFMNFOMMA-FRRDWIJNSA-N 1 3 269.389 -0.291 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001054296432 802331265 /nfs/dbraw/zinc/33/12/65/802331265.db2.gz FKHMPERYHUUPLC-IJLUTSLNSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001054968567 802382784 /nfs/dbraw/zinc/38/27/84/802382784.db2.gz KCZDILWIFHEBSW-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001122021760 813105055 /nfs/dbraw/zinc/10/50/55/813105055.db2.gz OAXGUKOAMDSOHT-SDDRHHMPSA-N 1 3 252.362 -0.900 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C ZINC001122101151 813117697 /nfs/dbraw/zinc/11/76/97/813117697.db2.gz XOUQEXPWTVVGTI-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]C ZINC001122101153 813118390 /nfs/dbraw/zinc/11/83/90/813118390.db2.gz XOUQEXPWTVVGTI-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001122367753 813154968 /nfs/dbraw/zinc/15/49/68/813154968.db2.gz BUKDQBBXEHKADQ-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+]CCn2cncn2)CCC1 ZINC001129357495 813838132 /nfs/dbraw/zinc/83/81/32/813838132.db2.gz MLUIZBHASAFODK-UHFFFAOYSA-N 1 3 280.376 -0.532 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133294795 814237243 /nfs/dbraw/zinc/23/72/43/814237243.db2.gz UQDYDHMAUQBVTB-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133294757 814238147 /nfs/dbraw/zinc/23/81/47/814238147.db2.gz SDFNBIYKRMFDFF-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415496 814249394 /nfs/dbraw/zinc/24/93/94/814249394.db2.gz AJKNMNNYQASSSL-LLVKDONJSA-N 1 3 258.366 -0.976 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001133834464 814305928 /nfs/dbraw/zinc/30/59/28/814305928.db2.gz YJVPXHHJPCABKU-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001133834464 814305939 /nfs/dbraw/zinc/30/59/39/814305939.db2.gz YJVPXHHJPCABKU-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148360426 814939133 /nfs/dbraw/zinc/93/91/33/814939133.db2.gz UNUFOEGCLCOFHB-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN[C@H]1CCNC1=O ZINC001148360428 814940280 /nfs/dbraw/zinc/94/02/80/814940280.db2.gz UNUFOEGCLCOFHB-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148469091 814945431 /nfs/dbraw/zinc/94/54/31/814945431.db2.gz BOGDYOHBPBFXKE-UHFFFAOYSA-N 1 3 269.389 -0.145 20 0 CBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148469091 814945432 /nfs/dbraw/zinc/94/54/32/814945432.db2.gz BOGDYOHBPBFXKE-UHFFFAOYSA-N 1 3 269.389 -0.145 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)C ZINC001148571138 814951465 /nfs/dbraw/zinc/95/14/65/814951465.db2.gz XLOARWNENFXWOD-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)C ZINC001148571138 814951468 /nfs/dbraw/zinc/95/14/68/814951468.db2.gz XLOARWNENFXWOD-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001148643415 814954510 /nfs/dbraw/zinc/95/45/10/814954510.db2.gz ZISGQUCQHOCYAO-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001321652966 803796763 /nfs/dbraw/zinc/79/67/63/803796763.db2.gz SKSVYGFALMYFNZ-MXWKQRLJSA-N 1 3 298.387 -0.774 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322684839 803927601 /nfs/dbraw/zinc/92/76/01/803927601.db2.gz CPWHOLGESAYNNF-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCO)CC1)N(C)C ZINC001323469925 804031626 /nfs/dbraw/zinc/03/16/26/804031626.db2.gz ZGHSFVMNPJFPFP-NSHDSACASA-N 1 3 257.378 -0.197 20 0 CBADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001160459981 815624845 /nfs/dbraw/zinc/62/48/45/815624845.db2.gz UUXMORLNFKZBDB-VOJFVSQTSA-N 1 3 275.418 -0.460 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001325414259 804285432 /nfs/dbraw/zinc/28/54/32/804285432.db2.gz UEYUUMIAMDXOAF-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC001325696183 804306321 /nfs/dbraw/zinc/30/63/21/804306321.db2.gz QTTAMXWYUJMFQM-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001150598345 815037293 /nfs/dbraw/zinc/03/72/93/815037293.db2.gz ZTHDVMBIZMLJOB-KBPBESRZSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001150598345 815037298 /nfs/dbraw/zinc/03/72/98/815037298.db2.gz ZTHDVMBIZMLJOB-KBPBESRZSA-N 1 3 299.415 -0.472 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049379 815051616 /nfs/dbraw/zinc/05/16/16/815051616.db2.gz MTZDZZQZOWTCKT-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049379 815051622 /nfs/dbraw/zinc/05/16/22/815051622.db2.gz MTZDZZQZOWTCKT-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048442 815052375 /nfs/dbraw/zinc/05/23/75/815052375.db2.gz BBYYASNMYVWEEB-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048442 815052382 /nfs/dbraw/zinc/05/23/82/815052382.db2.gz BBYYASNMYVWEEB-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049200 815052861 /nfs/dbraw/zinc/05/28/61/815052861.db2.gz JYMLRKZKTHSJOV-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049200 815052868 /nfs/dbraw/zinc/05/28/68/815052868.db2.gz JYMLRKZKTHSJOV-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064648 815054525 /nfs/dbraw/zinc/05/45/25/815054525.db2.gz CNYZYWSBIWBBSZ-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064648 815054529 /nfs/dbraw/zinc/05/45/29/815054529.db2.gz CNYZYWSBIWBBSZ-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064650 815055548 /nfs/dbraw/zinc/05/55/48/815055548.db2.gz CNYZYWSBIWBBSZ-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064650 815055555 /nfs/dbraw/zinc/05/55/55/815055555.db2.gz CNYZYWSBIWBBSZ-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066780 815057702 /nfs/dbraw/zinc/05/77/02/815057702.db2.gz YPRWQHWEYMQNCY-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066780 815057707 /nfs/dbraw/zinc/05/77/07/815057707.db2.gz YPRWQHWEYMQNCY-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073935 815058434 /nfs/dbraw/zinc/05/84/34/815058434.db2.gz SSPBUMNAFYIFML-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073935 815058440 /nfs/dbraw/zinc/05/84/40/815058440.db2.gz SSPBUMNAFYIFML-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073784 815059056 /nfs/dbraw/zinc/05/90/56/815059056.db2.gz PUXXJWGSUZBNLZ-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073784 815059063 /nfs/dbraw/zinc/05/90/63/815059063.db2.gz PUXXJWGSUZBNLZ-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CCC1 ZINC001072812294 805337841 /nfs/dbraw/zinc/33/78/41/805337841.db2.gz ZXMALKDWOBEYPP-UHFFFAOYSA-N 1 3 281.400 -0.003 20 0 CBADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CCC1 ZINC001072812294 805337849 /nfs/dbraw/zinc/33/78/49/805337849.db2.gz ZXMALKDWOBEYPP-UHFFFAOYSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072979606 805354471 /nfs/dbraw/zinc/35/44/71/805354471.db2.gz FMFIJVACLZBZAG-CYBMUJFWSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072979606 805354479 /nfs/dbraw/zinc/35/44/79/805354479.db2.gz FMFIJVACLZBZAG-CYBMUJFWSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072983337 805354578 /nfs/dbraw/zinc/35/45/78/805354578.db2.gz SCVCBVKIFXVLCR-ZDUSSCGKSA-N 1 3 281.400 -0.145 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072983337 805354584 /nfs/dbraw/zinc/35/45/84/805354584.db2.gz SCVCBVKIFXVLCR-ZDUSSCGKSA-N 1 3 281.400 -0.145 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073891324 805421721 /nfs/dbraw/zinc/42/17/21/805421721.db2.gz OJUIZOYRTAVJQT-KBPBESRZSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073891324 805421728 /nfs/dbraw/zinc/42/17/28/805421728.db2.gz OJUIZOYRTAVJQT-KBPBESRZSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042322 805481658 /nfs/dbraw/zinc/48/16/58/805481658.db2.gz KKOCVXHEIAEECE-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042322 805481662 /nfs/dbraw/zinc/48/16/62/805481662.db2.gz KKOCVXHEIAEECE-SRVKXCTJSA-N 1 3 282.388 -0.608 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc2n(n1)CCC2 ZINC001151942246 815098540 /nfs/dbraw/zinc/09/85/40/815098540.db2.gz XAPWZWGYUSWPHI-UHFFFAOYSA-N 1 3 264.333 -0.096 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152236910 815112171 /nfs/dbraw/zinc/11/21/71/815112171.db2.gz IFDVLSAIHAGWIX-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CCNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340175 815116250 /nfs/dbraw/zinc/11/62/50/815116250.db2.gz IABMYCLWDKKOCG-UHFFFAOYSA-N 1 3 284.404 -0.296 20 0 CBADHO C[C@@H](NCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152340087 815116340 /nfs/dbraw/zinc/11/63/40/815116340.db2.gz GANCQLVPASKXBK-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN(C)C(C)C)C(N)=O ZINC001152431753 815120803 /nfs/dbraw/zinc/12/08/03/815120803.db2.gz DDXHYNNFOMQWMC-JTQLQIEISA-N 1 3 258.366 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001152433263 815121106 /nfs/dbraw/zinc/12/11/06/815121106.db2.gz ZYUGQSYHYIOSGY-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152432535 815121147 /nfs/dbraw/zinc/12/11/47/815121147.db2.gz JWLSTCBVNHPPLB-UHFFFAOYSA-N 1 3 293.433 -0.533 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152452096 815122704 /nfs/dbraw/zinc/12/27/04/815122704.db2.gz SDTIMZWZVIUPSP-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152452097 815123099 /nfs/dbraw/zinc/12/30/99/815123099.db2.gz SDTIMZWZVIUPSP-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152451915 815123290 /nfs/dbraw/zinc/12/32/90/815123290.db2.gz MACPZQNZRGHKPJ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152459120 815124097 /nfs/dbraw/zinc/12/40/97/815124097.db2.gz ZDADISFPNKRLRH-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470706 815124177 /nfs/dbraw/zinc/12/41/77/815124177.db2.gz FOOCPSNRPPSBDD-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO NC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314912 815156796 /nfs/dbraw/zinc/15/67/96/815156796.db2.gz SGERSPCBGSRQGO-UHFFFAOYSA-N 1 3 270.377 -0.556 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3c(nn2)CCNC3)N1 ZINC001155574246 815297021 /nfs/dbraw/zinc/29/70/21/815297021.db2.gz FVTYRWHIKSKYEQ-GXFFZTMASA-N 1 3 274.328 -0.888 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160636573 815647246 /nfs/dbraw/zinc/64/72/46/815647246.db2.gz INCBBXLCKGZITH-WDEREUQCSA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCO ZINC001089039144 810374021 /nfs/dbraw/zinc/37/40/21/810374021.db2.gz XYZFLSBHVPWJAN-UTUOFQBUSA-N 1 3 255.362 -0.491 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCO ZINC001089039144 810374027 /nfs/dbraw/zinc/37/40/27/810374027.db2.gz XYZFLSBHVPWJAN-UTUOFQBUSA-N 1 3 255.362 -0.491 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091378917 810605275 /nfs/dbraw/zinc/60/52/75/810605275.db2.gz ZDHLEDKXORRMJG-BPCQOVAHSA-N 1 3 296.415 -0.170 20 0 CBADHO COC(=O)[C@@H](CCC[NH3+])Nc1ncc2c(n1)CCNC2 ZINC001157114106 815406498 /nfs/dbraw/zinc/40/64/98/815406498.db2.gz APHIYNUODDOTDD-LLVKDONJSA-N 1 3 279.344 -0.185 20 0 CBADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879963 810958655 /nfs/dbraw/zinc/95/86/55/810958655.db2.gz SLVWHZKEBZJZQW-ZIAGYGMSSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879963 810958664 /nfs/dbraw/zinc/95/86/64/810958664.db2.gz SLVWHZKEBZJZQW-ZIAGYGMSSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879961 810960203 /nfs/dbraw/zinc/96/02/03/810960203.db2.gz SLVWHZKEBZJZQW-KGLIPLIRSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)C1CCC1 ZINC001099879961 810960211 /nfs/dbraw/zinc/96/02/11/810960211.db2.gz SLVWHZKEBZJZQW-KGLIPLIRSA-N 1 3 299.415 -0.596 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001099971411 810980233 /nfs/dbraw/zinc/98/02/33/810980233.db2.gz HJXKKYGRLFSAHD-CHWSQXEVSA-N 1 3 299.415 -0.738 20 0 CBADHO COCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974668 810981198 /nfs/dbraw/zinc/98/11/98/810981198.db2.gz SWPZEHSYOKTJCH-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973343 810982202 /nfs/dbraw/zinc/98/22/02/810982202.db2.gz BIYJNKXTLONVPX-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986396 810984100 /nfs/dbraw/zinc/98/41/00/810984100.db2.gz KFSMIAXDZWUFQU-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC)C1)N(C)C ZINC001100443520 811058477 /nfs/dbraw/zinc/05/84/77/811058477.db2.gz KTVQUFVPKNRBDV-HTAVTVPLSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001100647159 811070975 /nfs/dbraw/zinc/07/09/75/811070975.db2.gz GUDVRXXSSAXYPF-GCZXYKMCSA-N 1 3 284.404 -0.458 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)C(C)C ZINC001157323515 815423569 /nfs/dbraw/zinc/42/35/69/815423569.db2.gz SUKPBDIOABNMAV-VHSXEESVSA-N 1 3 258.366 -0.671 20 0 CBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319076 811152155 /nfs/dbraw/zinc/15/21/55/811152155.db2.gz XSYBLMSHTKKMNL-IJLUTSLNSA-N 1 3 284.404 -0.504 20 0 CBADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782976 811168165 /nfs/dbraw/zinc/16/81/65/811168165.db2.gz SDWZMFFIGVYZKI-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782976 811168169 /nfs/dbraw/zinc/16/81/69/811168169.db2.gz SDWZMFFIGVYZKI-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719033 811185228 /nfs/dbraw/zinc/18/52/28/811185228.db2.gz ODZHCPABTTVROU-JHJVBQTASA-N 1 3 296.415 -0.502 20 0 CBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719033 811185233 /nfs/dbraw/zinc/18/52/33/811185233.db2.gz ODZHCPABTTVROU-JHJVBQTASA-N 1 3 296.415 -0.502 20 0 CBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103663743 811185979 /nfs/dbraw/zinc/18/59/79/811185979.db2.gz RKQYLCAKVHFXFE-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103663743 811185984 /nfs/dbraw/zinc/18/59/84/811185984.db2.gz RKQYLCAKVHFXFE-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO Cc1cc(N(C(=N)N)C(=O)[C@H](N)CCC[NH3+])n[nH]1 ZINC001157440369 815433873 /nfs/dbraw/zinc/43/38/73/815433873.db2.gz UHRXKJXQOGNVMG-SSDOTTSWSA-N 1 3 253.310 -0.989 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106250232 811303367 /nfs/dbraw/zinc/30/33/67/811303367.db2.gz YXOYHZWKCDXMFE-MPKXVKKWSA-N 1 3 296.415 -0.504 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107040842 811322942 /nfs/dbraw/zinc/32/29/42/811322942.db2.gz PSYWWPWNBJWWBQ-VXGBXAGGSA-N 1 3 284.404 -0.504 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157525818 815441048 /nfs/dbraw/zinc/44/10/48/815441048.db2.gz DQDDAWSFMZKUSO-NSHDSACASA-N 1 3 258.341 -0.693 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)C[C@H]1F ZINC001157536315 815442092 /nfs/dbraw/zinc/44/20/92/815442092.db2.gz KTFSDLIIZXCVJG-RCZSTQMZSA-N 1 3 257.309 -0.597 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536499 815442728 /nfs/dbraw/zinc/44/27/28/815442728.db2.gz NYXBMFUMDRAGLH-RVMXOQNASA-N 1 3 284.379 -0.432 20 0 CBADHO N[C@H]1CN(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1F ZINC001157537627 815443709 /nfs/dbraw/zinc/44/37/09/815443709.db2.gz CKSMXVLZJLEWOQ-UPJWGTAASA-N 1 3 284.379 -0.432 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC(C)([NH3+])C1 ZINC001157633193 815449543 /nfs/dbraw/zinc/44/95/43/815449543.db2.gz KSEVXIPYAAKVKI-UWVGGRQHSA-N 1 3 270.377 -0.576 20 0 CBADHO NC[C@H](N)C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626206 815448457 /nfs/dbraw/zinc/44/84/57/815448457.db2.gz CXUIKQZXIGHCLZ-AWEZNQCLSA-N 1 3 298.431 -0.377 20 0 CBADHO CN(Cc1ncccn1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001157681447 815453181 /nfs/dbraw/zinc/45/31/81/815453181.db2.gz JAWWLXLHSCYZMO-JTQLQIEISA-N 1 3 251.334 -0.109 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCCO1 ZINC001157704224 815454465 /nfs/dbraw/zinc/45/44/65/815454465.db2.gz VOSDCUQFZNZNMJ-ZJUUUORDSA-N 1 3 261.391 -0.357 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001157715887 815455723 /nfs/dbraw/zinc/45/57/23/815455723.db2.gz KMTKHMKHWDKONF-KWQFWETISA-N 1 3 261.297 -0.834 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157716739 815456310 /nfs/dbraw/zinc/45/63/10/815456310.db2.gz RJRVBPBAYUFNIM-UPJWGTAASA-N 1 3 299.415 -0.021 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157720555 815456389 /nfs/dbraw/zinc/45/63/89/815456389.db2.gz LTPDGVZRPNDOKR-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2cncnc2C1 ZINC001157716989 815456789 /nfs/dbraw/zinc/45/67/89/815456789.db2.gz VUBWPFQSQZJCKL-VIFPVBQESA-N 1 3 267.358 -0.662 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157716809 815457079 /nfs/dbraw/zinc/45/70/79/815457079.db2.gz SYGSQHOVPIQVCD-ZDEQEGDKSA-N 1 3 283.372 -0.800 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157720359 815457190 /nfs/dbraw/zinc/45/71/90/815457190.db2.gz HNJVWEHMLSJSBE-TUUUFIMRSA-N 1 3 285.388 -0.688 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157728750 815457211 /nfs/dbraw/zinc/45/72/11/815457211.db2.gz AGZUFNRJLLOAEZ-BBBLOLIVSA-N 1 3 279.381 -0.816 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(F)(F)CC[C@H]1CO ZINC001157730035 815458082 /nfs/dbraw/zinc/45/80/82/815458082.db2.gz GYWINQOGCYVAML-UWVGGRQHSA-N 1 3 289.326 -0.586 20 0 CBADHO N[C@H](C(=O)N1C[C@H](F)C[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157730942 815459038 /nfs/dbraw/zinc/45/90/38/815459038.db2.gz PWEIEUJTLCOBPS-WCQGTBRESA-N 1 3 273.352 -0.508 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157731404 815459800 /nfs/dbraw/zinc/45/98/00/815459800.db2.gz UPJZPZVCGYYVCN-DCAQKATOSA-N 1 3 261.341 -0.378 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157748803 815461736 /nfs/dbraw/zinc/46/17/36/815461736.db2.gz YTYATSXMHPEDPU-MAZUYXTBSA-N 1 3 293.408 -0.238 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780416 815465693 /nfs/dbraw/zinc/46/56/93/815465693.db2.gz FICHUDMXYQLTAV-ZYHUDNBSSA-N 1 3 261.341 -0.234 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@](O)(CF)CC1 ZINC001157782272 815465761 /nfs/dbraw/zinc/46/57/61/815465761.db2.gz XZYKFPLANCKVED-FZMZJTMJSA-N 1 3 285.363 -0.492 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@H](N)Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001157792867 815466961 /nfs/dbraw/zinc/46/69/61/815466961.db2.gz FTNTZEZWFXZOPB-IEBDPFPHSA-N 1 3 251.334 -0.525 20 0 CBADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cncn1C ZINC001157841105 815470468 /nfs/dbraw/zinc/47/04/68/815470468.db2.gz DZPSGWFAWCHUMX-LOWVWBTDSA-N 1 3 279.388 -0.124 20 0 CBADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157844305 815470903 /nfs/dbraw/zinc/47/09/03/815470903.db2.gz VWXOMMRBBJAHRM-UMNHJUIQSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157844305 815470908 /nfs/dbraw/zinc/47/09/08/815470908.db2.gz VWXOMMRBBJAHRM-UMNHJUIQSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001157843441 815471165 /nfs/dbraw/zinc/47/11/65/815471165.db2.gz RAGQFCVCIZCDDI-GARJFASQSA-N 1 3 285.392 -0.652 20 0 CBADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404999 811748040 /nfs/dbraw/zinc/74/80/40/811748040.db2.gz LILBIHKQHAEMCK-ZOBORPQBSA-N 1 3 281.400 -0.245 20 0 CBADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CC1 ZINC001114404999 811748046 /nfs/dbraw/zinc/74/80/46/811748046.db2.gz LILBIHKQHAEMCK-ZOBORPQBSA-N 1 3 281.400 -0.245 20 0 CBADHO CC(=O)CN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157863004 815474788 /nfs/dbraw/zinc/47/47/88/815474788.db2.gz OXPSPBOMAQEBOB-NSHDSACASA-N 1 3 253.346 -0.092 20 0 CBADHO CC(=O)CN(C)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157863004 815474791 /nfs/dbraw/zinc/47/47/91/815474791.db2.gz OXPSPBOMAQEBOB-NSHDSACASA-N 1 3 253.346 -0.092 20 0 CBADHO CN1CCN(C(=N)Nc2ncccc2S(N)(=O)=O)CC1 ZINC001157914847 815481185 /nfs/dbraw/zinc/48/11/85/815481185.db2.gz MXEAQRCWXBRKJG-UHFFFAOYSA-N 1 3 298.372 -0.677 20 0 CBADHO CN1CCN(C(=N)Nc2ncc(Cl)nc2C(N)=O)CC1 ZINC001157914618 815481579 /nfs/dbraw/zinc/48/15/79/815481579.db2.gz CHQMTRWAUKLMTE-UHFFFAOYSA-N 1 3 297.750 -0.177 20 0 CBADHO C[NH+]1CCN(C(=N)Nc2ncc(Cl)nc2C(N)=O)CC1 ZINC001157914618 815481583 /nfs/dbraw/zinc/48/15/83/815481583.db2.gz CHQMTRWAUKLMTE-UHFFFAOYSA-N 1 3 297.750 -0.177 20 0 CBADHO CN1CCN(C(=[NH2+])Nc2cc3c(nn2)CCNC3)CC1 ZINC001157914923 815482123 /nfs/dbraw/zinc/48/21/23/815482123.db2.gz HOENQNQWEDERDQ-UHFFFAOYSA-N 1 3 275.360 -0.284 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2[nH]cnc2C1 ZINC001157922372 815483204 /nfs/dbraw/zinc/48/32/04/815483204.db2.gz MINXUBQTUKHWBB-QMMMGPOBSA-N 1 3 269.374 -0.686 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935284 815488312 /nfs/dbraw/zinc/48/83/12/815488312.db2.gz SXVAHPYJRWEITE-ZYHUDNBSSA-N 1 3 261.341 -0.234 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@](F)(CO)CC1 ZINC001157935903 815488722 /nfs/dbraw/zinc/48/87/22/815488722.db2.gz XHOUUVRMKMWRBT-RISCZKNCSA-N 1 3 285.363 -0.492 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158015485 815499225 /nfs/dbraw/zinc/49/92/25/815499225.db2.gz SDCMWIBVOGFJMW-YAMSLAJTSA-N 1 3 299.346 -0.703 20 0 CBADHO CC(C)C[C@@](C)(N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101278 815503900 /nfs/dbraw/zinc/50/39/00/815503900.db2.gz JENLZDLSBSYFIN-KGLIPLIRSA-N 1 3 282.388 -0.560 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111665 815504958 /nfs/dbraw/zinc/50/49/58/815504958.db2.gz PZGXYXQOGGUODK-CHWSQXEVSA-N 1 3 293.411 -0.194 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114751342 812157686 /nfs/dbraw/zinc/15/76/86/812157686.db2.gz YLFREWDOQPGFMC-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199317 815512655 /nfs/dbraw/zinc/51/26/55/815512655.db2.gz TYFGBYQBESGNJX-KXUCPTDWSA-N 1 3 255.318 -0.770 20 0 CBADHO C[C@H]1C[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117084377 812363936 /nfs/dbraw/zinc/36/39/36/812363936.db2.gz MMLBUXACTKYUJU-STQMWFEESA-N 1 3 298.431 -0.290 20 0 CBADHO N[C@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]C1 ZINC001158337095 815520868 /nfs/dbraw/zinc/52/08/68/815520868.db2.gz QRZUZQGGGNXPGC-SQWLQELKSA-N 1 3 286.379 -0.225 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCS(=O)(=O)CC1 ZINC001158369289 815522995 /nfs/dbraw/zinc/52/29/95/815522995.db2.gz KJHMRTOPJCLWLL-NSHDSACASA-N 1 3 291.417 -0.697 20 0 CBADHO NCc1cnnn1-c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001158420709 815527838 /nfs/dbraw/zinc/52/78/38/815527838.db2.gz XCTJGHOJFHTRNN-UHFFFAOYSA-N 1 3 265.708 -0.185 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422097 815528585 /nfs/dbraw/zinc/52/85/85/815528585.db2.gz HUVMLLOZXYGBIF-QTIJHVDKSA-N 1 3 259.375 -0.955 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CC1CC[NH2+]CC1 ZINC001118179189 812486359 /nfs/dbraw/zinc/48/63/59/812486359.db2.gz NAIRSYISCMZQCQ-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H](C[NH3+])C(=O)NCCCCN1CCN(C)CC1 ZINC001118190117 812488405 /nfs/dbraw/zinc/48/84/05/812488405.db2.gz RDLHKQFCYYRNGV-LBPRGKRZSA-N 1 3 256.394 -0.275 20 0 CBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](C)N ZINC001158496006 815535442 /nfs/dbraw/zinc/53/54/42/815535442.db2.gz IVVCNURCDOQMRV-XFWSIPNHSA-N 1 3 255.318 -0.914 20 0 CBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1(N)CC1 ZINC001158495620 815535594 /nfs/dbraw/zinc/53/55/94/815535594.db2.gz AFJILXMJJDXXIE-LPEHRKFASA-N 1 3 267.329 -0.770 20 0 CBADHO C([C@@H]1CNCCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC001118506394 812562062 /nfs/dbraw/zinc/56/20/62/812562062.db2.gz PAGVCZLPBIQYRL-AWEZNQCLSA-N 1 3 269.389 -0.229 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC001118510572 812565190 /nfs/dbraw/zinc/56/51/90/812565190.db2.gz JPNIERYFPXDIRW-VDAHYXPESA-N 1 3 263.301 -0.993 20 0 CBADHO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H](N)CCCC[NH3+] ZINC001158535594 815537487 /nfs/dbraw/zinc/53/74/87/815537487.db2.gz XZHAQVUQRNDFAI-COPLHBTASA-N 1 3 283.372 -0.003 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@H]1CCC[NH2+]C1 ZINC001118557510 812575895 /nfs/dbraw/zinc/57/58/95/812575895.db2.gz GGOVERCPTROLSP-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118572985 812580724 /nfs/dbraw/zinc/58/07/24/812580724.db2.gz ZDGCXRQQOPLQMG-KBPBESRZSA-N 1 3 298.431 -0.506 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118572991 812580857 /nfs/dbraw/zinc/58/08/57/812580857.db2.gz ZDGCXRQQOPLQMG-ZIAGYGMSSA-N 1 3 298.431 -0.506 20 0 CBADHO [NH3+][C@H]1CN(c2ncc3c(n2)CCNC3)CC12COC2 ZINC001158762738 815545483 /nfs/dbraw/zinc/54/54/83/815545483.db2.gz APOZOXBOZDLDRF-NSHDSACASA-N 1 3 261.329 -0.714 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001119240668 812730620 /nfs/dbraw/zinc/73/06/20/812730620.db2.gz XPGLBPQCUMXADN-SSDOTTSWSA-N 1 3 261.276 -0.409 20 0 CBADHO CN1CCN(c2ccc(N3CC4(C3)C[NH+](C)C4)nn2)CC1 ZINC001158859718 815550934 /nfs/dbraw/zinc/55/09/34/815550934.db2.gz KWSKIWMLXOBZMX-UHFFFAOYSA-N 1 3 288.399 -0.020 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC001119353432 812764223 /nfs/dbraw/zinc/76/42/23/812764223.db2.gz XJFFGPDDSNQDLS-TUAOUCFPSA-N 1 3 282.388 -0.465 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119427247 812781658 /nfs/dbraw/zinc/78/16/58/812781658.db2.gz JREPUQRTNRKWGO-GRYCIOLGSA-N 1 3 282.388 -0.560 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C[C@@H]21 ZINC001119636499 812845617 /nfs/dbraw/zinc/84/56/17/812845617.db2.gz QUOSBVDQTDHUDR-XQQFMLRXSA-N 1 3 294.399 -0.654 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(CCC[NH+]2CCCC2)C1=O ZINC001119693848 812869407 /nfs/dbraw/zinc/86/94/07/812869407.db2.gz SCWWVRFJSUYTMM-LLVKDONJSA-N 1 3 268.361 -0.046 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159083938 815557948 /nfs/dbraw/zinc/55/79/48/815557948.db2.gz CTSWASXVGVCYBZ-LPWJVIDDSA-N 1 3 285.388 -0.153 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120660619 813007450 /nfs/dbraw/zinc/00/74/50/813007450.db2.gz WKTFSGHUOYCMLK-XYPYZODXSA-N 1 3 258.366 -0.399 20 0 CBADHO CN(CC[NH3+])CCNc1cc2c(nn1)CCNC2 ZINC001159436918 815572978 /nfs/dbraw/zinc/57/29/78/815572978.db2.gz CLLRNCCMOHNFHM-UHFFFAOYSA-N 1 3 250.350 -0.575 20 0 CBADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC1 ZINC001122063588 813110224 /nfs/dbraw/zinc/11/02/24/813110224.db2.gz MUOGAQWZWAXZSC-AXFHLTTASA-N 1 3 253.346 -0.249 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)N(C)C ZINC001122064137 813112008 /nfs/dbraw/zinc/11/20/08/813112008.db2.gz UJWOBICEGZDRRW-QWRGUYRKSA-N 1 3 255.362 -0.180 20 0 CBADHO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)nn1)[C@H]1CNCCO1 ZINC001159495235 815577605 /nfs/dbraw/zinc/57/76/05/815577605.db2.gz DFVSLAZDRTXYLW-VXGBXAGGSA-N 1 3 292.387 -0.325 20 0 CBADHO CSCC[C@@H](N)C(=O)NC1(C[NH3+])CCOCC1 ZINC001122096129 813116780 /nfs/dbraw/zinc/11/67/80/813116780.db2.gz PKCQPAQWIZIFFC-SECBINFHSA-N 1 3 261.391 -0.309 20 0 CBADHO C[C@H](Nc1cncc(N2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001159502247 815577728 /nfs/dbraw/zinc/57/77/28/815577728.db2.gz ZDYHMOBCYVZUKX-NWDGAFQWSA-N 1 3 292.387 -0.325 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001122143138 813124163 /nfs/dbraw/zinc/12/41/63/813124163.db2.gz IDINZOFMLDTHJR-NXEZZACHSA-N 1 3 253.346 -0.521 20 0 CBADHO C[C@H](Nc1ncnc2c1CCNC2)[C@@H]1C[NH2+]CCO1 ZINC001159500197 815578356 /nfs/dbraw/zinc/57/83/56/815578356.db2.gz WLOYBRJUBDLVHG-CABZTGNLSA-N 1 3 263.345 -0.089 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122248072 813137240 /nfs/dbraw/zinc/13/72/40/813137240.db2.gz DGNSIXNFXOFTJY-UHFFFAOYSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122281741 813139603 /nfs/dbraw/zinc/13/96/03/813139603.db2.gz DNOOYKRTCXNSCW-NXEZZACHSA-N 1 3 269.345 -0.475 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122281743 813139770 /nfs/dbraw/zinc/13/97/70/813139770.db2.gz DNOOYKRTCXNSCW-VHSXEESVSA-N 1 3 269.345 -0.475 20 0 CBADHO CN1CCN(c2ccc(N[C@H](N)CCC[NH3+])nn2)CC1 ZINC001159780194 815594495 /nfs/dbraw/zinc/59/44/95/815594495.db2.gz SZRFHGORWKSHPW-NSHDSACASA-N 1 3 279.392 -0.336 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001122484293 813169741 /nfs/dbraw/zinc/16/97/41/813169741.db2.gz NYECAZVSFQGKNF-CYDGBPFRSA-N 1 3 266.389 -0.654 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001122484293 813169743 /nfs/dbraw/zinc/16/97/43/813169743.db2.gz NYECAZVSFQGKNF-CYDGBPFRSA-N 1 3 266.389 -0.654 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001122484294 813169800 /nfs/dbraw/zinc/16/98/00/813169800.db2.gz NYECAZVSFQGKNF-QNWHQSFQSA-N 1 3 266.389 -0.654 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001122484294 813169804 /nfs/dbraw/zinc/16/98/04/813169804.db2.gz NYECAZVSFQGKNF-QNWHQSFQSA-N 1 3 266.389 -0.654 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001159853345 815599899 /nfs/dbraw/zinc/59/98/99/815599899.db2.gz CGDIDLMQRVOSQF-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159845779 815600253 /nfs/dbraw/zinc/60/02/53/815600253.db2.gz GMAQWZHPTIUPCT-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC2CC2)CCC1 ZINC001159854269 815600352 /nfs/dbraw/zinc/60/03/52/815600352.db2.gz OGGACECEWFRCDL-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854979 815601755 /nfs/dbraw/zinc/60/17/55/815601755.db2.gz YOCMBARNNDPQHX-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1cc(CN)ncn1 ZINC001159864145 815601785 /nfs/dbraw/zinc/60/17/85/815601785.db2.gz LOIQWHCBYMJUIM-UHFFFAOYSA-N 1 3 253.306 -0.737 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001127065666 813710622 /nfs/dbraw/zinc/71/06/22/813710622.db2.gz CUNUUECIHUJGKL-NWDGAFQWSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001127065666 813710628 /nfs/dbraw/zinc/71/06/28/813710628.db2.gz CUNUUECIHUJGKL-NWDGAFQWSA-N 1 3 282.388 -0.547 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256008 813722077 /nfs/dbraw/zinc/72/20/77/813722077.db2.gz LVIOJKBCDOUZHS-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256008 813722087 /nfs/dbraw/zinc/72/20/87/813722087.db2.gz LVIOJKBCDOUZHS-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480503 813733032 /nfs/dbraw/zinc/73/30/32/813733032.db2.gz KLNDBIHRZPKNAE-VXGBXAGGSA-N 1 3 282.388 -0.702 20 0 CBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481092 813733411 /nfs/dbraw/zinc/73/34/11/813733411.db2.gz PFGBZORJSQFWQP-QWHCGFSZSA-N 1 3 294.399 -0.687 20 0 CBADHO CN1CC[C@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480473 813733424 /nfs/dbraw/zinc/73/34/24/813733424.db2.gz KKVVVFAQVXTESW-STQMWFEESA-N 1 3 294.399 -0.735 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481569 813734222 /nfs/dbraw/zinc/73/42/22/813734222.db2.gz USPYWIVLCRTHMA-CMPLNLGQSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001127653334 813740959 /nfs/dbraw/zinc/74/09/59/813740959.db2.gz SIOUEGPJQNTAFX-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001127653334 813740968 /nfs/dbraw/zinc/74/09/68/813740968.db2.gz SIOUEGPJQNTAFX-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001127700733 813742352 /nfs/dbraw/zinc/74/23/52/813742352.db2.gz CNCNNAUJJCWKQY-QJPTWQEYSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001127700733 813742358 /nfs/dbraw/zinc/74/23/58/813742358.db2.gz CNCNNAUJJCWKQY-QJPTWQEYSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659454 813742602 /nfs/dbraw/zinc/74/26/02/813742602.db2.gz BCFLVJWFFNRJBG-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659454 813742607 /nfs/dbraw/zinc/74/26/07/813742607.db2.gz BCFLVJWFFNRJBG-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO O=C(NCCNCCF)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779565 813748730 /nfs/dbraw/zinc/74/87/30/813748730.db2.gz OEWKQWQIMHKBSL-QWRGUYRKSA-N 1 3 259.325 -0.475 20 0 CBADHO O=C(NCCNCCF)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779565 813748734 /nfs/dbraw/zinc/74/87/34/813748734.db2.gz OEWKQWQIMHKBSL-QWRGUYRKSA-N 1 3 259.325 -0.475 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128533616 813778914 /nfs/dbraw/zinc/77/89/14/813778914.db2.gz PBWFMHZEZUTVTO-MNOVXSKESA-N 1 3 290.383 -0.493 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001128533196 813779154 /nfs/dbraw/zinc/77/91/54/813779154.db2.gz IRSBRQWUCBHPLN-WDEREUQCSA-N 1 3 288.367 -0.739 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001128778149 813797380 /nfs/dbraw/zinc/79/73/80/813797380.db2.gz BNTXZWOQPDOWOI-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001128778149 813797386 /nfs/dbraw/zinc/79/73/86/813797386.db2.gz BNTXZWOQPDOWOI-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+]CCNC(=O)C2CC2)CCC1 ZINC001129358877 813840177 /nfs/dbraw/zinc/84/01/77/813840177.db2.gz XCNYYTQRMVZIDP-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC1CC1)C1CC1 ZINC001129435325 813842204 /nfs/dbraw/zinc/84/22/04/813842204.db2.gz FRTLTJSRSIVKJP-CYBMUJFWSA-N 1 3 282.388 -0.689 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129436536 813842798 /nfs/dbraw/zinc/84/27/98/813842798.db2.gz QSIGKLFEJIMJML-RYUDHWBXSA-N 1 3 273.377 -0.960 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436956 813842849 /nfs/dbraw/zinc/84/28/49/813842849.db2.gz UANJWBUJSTTWHN-ZDUSSCGKSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437071 813843615 /nfs/dbraw/zinc/84/36/15/813843615.db2.gz VTCJFLNSWFERRT-AWEZNQCLSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCOCCO)C1CC1 ZINC001129435618 813844214 /nfs/dbraw/zinc/84/42/14/813844214.db2.gz HRCSLEAJRUYNMT-LBPRGKRZSA-N 1 3 273.377 -0.959 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001129437176 813846409 /nfs/dbraw/zinc/84/64/09/813846409.db2.gz WUYUZVCKNFDSRY-NEPJUHHUSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CC(=O)NCC[NH2+]CCN1CCNC1=O)C1CCC1 ZINC001129532091 813850404 /nfs/dbraw/zinc/85/04/04/813850404.db2.gz QQRNUBYLIZJOFX-UHFFFAOYSA-N 1 3 297.403 -0.798 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCC1 ZINC001129849461 813869575 /nfs/dbraw/zinc/86/95/75/813869575.db2.gz GFWPSKZCKVRGPI-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCC1 ZINC001129849461 813869583 /nfs/dbraw/zinc/86/95/83/813869583.db2.gz GFWPSKZCKVRGPI-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129842030 813871248 /nfs/dbraw/zinc/87/12/48/813871248.db2.gz RZAZYBZEOXHFHO-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129842030 813871257 /nfs/dbraw/zinc/87/12/57/813871257.db2.gz RZAZYBZEOXHFHO-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842005 813872036 /nfs/dbraw/zinc/87/20/36/813872036.db2.gz RQMVWRRMWNOHMJ-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129842005 813872047 /nfs/dbraw/zinc/87/20/47/813872047.db2.gz RQMVWRRMWNOHMJ-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001129949876 813882110 /nfs/dbraw/zinc/88/21/10/813882110.db2.gz JESBILYVUAZCSJ-NEPJUHHUSA-N 1 3 286.420 -0.245 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947277 813883235 /nfs/dbraw/zinc/88/32/35/813883235.db2.gz RNLVEUMYVLXBHU-NEPJUHHUSA-N 1 3 275.393 -0.714 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)N(C)C ZINC001130200008 813917129 /nfs/dbraw/zinc/91/71/29/813917129.db2.gz AXGJRHVDXRSOJL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCOCCOC)N(C)C ZINC001130202896 813919275 /nfs/dbraw/zinc/91/92/75/813919275.db2.gz BLETYYOFUYFCRJ-GFCCVEGCSA-N 1 3 275.393 -0.305 20 0 CBADHO COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522135 814037079 /nfs/dbraw/zinc/03/70/79/814037079.db2.gz UFYDBWWEADTXPN-OYNVLQORSA-N 1 3 297.399 -0.410 20 0 CBADHO O=C(NCCN[C@H]1CCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790543 814069600 /nfs/dbraw/zinc/06/96/00/814069600.db2.gz PCJSOJOOIKYWIY-QWHCGFSZSA-N 1 3 294.399 -0.545 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790816 814069622 /nfs/dbraw/zinc/06/96/22/814069622.db2.gz WIFGWLJETAZTOO-CQSZACIVSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)(C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001132283690 814120045 /nfs/dbraw/zinc/12/00/45/814120045.db2.gz CZBOWKXJKGYBKE-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)(C(=O)NCCNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001132280890 814120761 /nfs/dbraw/zinc/12/07/61/814120761.db2.gz WQXUJJVYWQYFLU-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)(C(=O)NCCNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001132284176 814122261 /nfs/dbraw/zinc/12/22/61/814122261.db2.gz ZRNWENCNONCRDX-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886102 814196837 /nfs/dbraw/zinc/19/68/37/814196837.db2.gz CEJZTPFIUUFKIY-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886102 814196845 /nfs/dbraw/zinc/19/68/45/814196845.db2.gz CEJZTPFIUUFKIY-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132992527 814203828 /nfs/dbraw/zinc/20/38/28/814203828.db2.gz AUOIBVUOFIPDQL-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001132992870 814205923 /nfs/dbraw/zinc/20/59/23/814205923.db2.gz HUENRWHQUAVJFS-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993109 814207134 /nfs/dbraw/zinc/20/71/34/814207134.db2.gz NWGVEYAYTYTUFM-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001132995484 814207229 /nfs/dbraw/zinc/20/72/29/814207229.db2.gz VCZVOZBKCAHRRF-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993427 814207640 /nfs/dbraw/zinc/20/76/40/814207640.db2.gz TXSPBPHGBXUBMV-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+](C)CCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001133040193 814211492 /nfs/dbraw/zinc/21/14/92/814211492.db2.gz FOMZZRTZQXLQMH-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040361 814211994 /nfs/dbraw/zinc/21/19/94/814211994.db2.gz NBPNQUDTLCPTSC-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO C[NH+](C)CCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001133040192 814212132 /nfs/dbraw/zinc/21/21/32/814212132.db2.gz FOMZZRTZQXLQMH-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133274338 814233445 /nfs/dbraw/zinc/23/34/45/814233445.db2.gz GMAVANNXTZIXJZ-QWHCGFSZSA-N 1 3 298.431 -0.112 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287037 814235626 /nfs/dbraw/zinc/23/56/26/814235626.db2.gz DDEJDWNVHQLJHO-UHFFFAOYSA-N 1 3 270.377 -0.878 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133287901 814236461 /nfs/dbraw/zinc/23/64/61/814236461.db2.gz PKPZEWSMVWDTBH-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001133419280 814252224 /nfs/dbraw/zinc/25/22/24/814252224.db2.gz KZLRIRZFDSZNKF-ZYHUDNBSSA-N 1 3 298.387 -0.916 20 0 CBADHO CC[C@H](C(=O)NCCN[C@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690236 814287062 /nfs/dbraw/zinc/28/70/62/814287062.db2.gz JQNBDLZZZKGACH-VXGBXAGGSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)[NH+](CC)CC ZINC001133684976 814288436 /nfs/dbraw/zinc/28/84/36/814288436.db2.gz OEJJOTWHNVQIER-QWRGUYRKSA-N 1 3 272.393 -0.314 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819737 814300747 /nfs/dbraw/zinc/30/07/47/814300747.db2.gz MZOIDAFOERSIRK-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819737 814300754 /nfs/dbraw/zinc/30/07/54/814300754.db2.gz MZOIDAFOERSIRK-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133833886 814301704 /nfs/dbraw/zinc/30/17/04/814301704.db2.gz ISEBQFAQWVKIOG-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133833886 814301713 /nfs/dbraw/zinc/30/17/13/814301713.db2.gz ISEBQFAQWVKIOG-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849830 814306250 /nfs/dbraw/zinc/30/62/50/814306250.db2.gz FCXIJIQPLFXSLX-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849830 814306260 /nfs/dbraw/zinc/30/62/60/814306260.db2.gz FCXIJIQPLFXSLX-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133846394 814307375 /nfs/dbraw/zinc/30/73/75/814307375.db2.gz ZZIIOLLRSOZILJ-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001133845738 814308303 /nfs/dbraw/zinc/30/83/03/814308303.db2.gz MMYIZTWVTVPFGJ-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869280 814312964 /nfs/dbraw/zinc/31/29/64/814312964.db2.gz CIFXSGNEBGSRIS-STQMWFEESA-N 1 3 298.431 -0.243 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869280 814312973 /nfs/dbraw/zinc/31/29/73/814312973.db2.gz CIFXSGNEBGSRIS-STQMWFEESA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866578 814313233 /nfs/dbraw/zinc/31/32/33/814313233.db2.gz NNCMHBCREGFQES-NWDGAFQWSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866578 814313241 /nfs/dbraw/zinc/31/32/41/814313241.db2.gz NNCMHBCREGFQES-NWDGAFQWSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccnn1C ZINC001133866691 814313596 /nfs/dbraw/zinc/31/35/96/814313596.db2.gz NRUSULWCEQVJHR-DGCLKSJQSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccnn1C ZINC001133866691 814313599 /nfs/dbraw/zinc/31/35/99/814313599.db2.gz NRUSULWCEQVJHR-DGCLKSJQSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867399 814314134 /nfs/dbraw/zinc/31/41/34/814314134.db2.gz UAIWJPSFDXSCFM-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867399 814314143 /nfs/dbraw/zinc/31/41/43/814314143.db2.gz UAIWJPSFDXSCFM-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866580 814315997 /nfs/dbraw/zinc/31/59/97/814315997.db2.gz NNCMHBCREGFQES-VXGBXAGGSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866580 814316003 /nfs/dbraw/zinc/31/60/03/814316003.db2.gz NNCMHBCREGFQES-VXGBXAGGSA-N 1 3 298.431 -0.195 20 0 CBADHO CN1CC[C@@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896449 814319277 /nfs/dbraw/zinc/31/92/77/814319277.db2.gz JNGQYTYWUSIVJN-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896293 814320522 /nfs/dbraw/zinc/32/05/22/814320522.db2.gz HDVFWFMYHKUZRQ-LBPRGKRZSA-N 1 3 287.404 -0.569 20 0 CBADHO CN(CC(=O)NCC[NH2+]CCn1cncn1)CC(C)(C)C ZINC001133908418 814322338 /nfs/dbraw/zinc/32/23/38/814322338.db2.gz QIRDPKFZEZHBKA-UHFFFAOYSA-N 1 3 296.419 -0.038 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001133966190 814331350 /nfs/dbraw/zinc/33/13/50/814331350.db2.gz WXBXLSKZTHOPJN-RYUDHWBXSA-N 1 3 294.403 -0.189 20 0 CBADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001134583632 814397367 /nfs/dbraw/zinc/39/73/67/814397367.db2.gz MRAFKHNWHQGKMR-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780651 814413353 /nfs/dbraw/zinc/41/33/53/814413353.db2.gz QCRNZPBVGDGKLR-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@@H](NCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001135334202 814462147 /nfs/dbraw/zinc/46/21/47/814462147.db2.gz LLFZRODQZDWIQG-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001159931484 815606516 /nfs/dbraw/zinc/60/65/16/815606516.db2.gz DVTNKMMSZKWQMI-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001159932242 815606531 /nfs/dbraw/zinc/60/65/31/815606531.db2.gz PJSAZNMCFTVDCU-AAEUAGOBSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932364 815606692 /nfs/dbraw/zinc/60/66/92/815606692.db2.gz PTJJTUYRAVDVMU-CMPLNLGQSA-N 1 3 257.378 -0.197 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997532 815606714 /nfs/dbraw/zinc/60/67/14/815606714.db2.gz QSOQFRPWDSQKDY-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001159931485 815606749 /nfs/dbraw/zinc/60/67/49/815606749.db2.gz DVTNKMMSZKWQMI-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001159931608 815606847 /nfs/dbraw/zinc/60/68/47/815606847.db2.gz GTTXOLUTOQNUGQ-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001135513265 814482015 /nfs/dbraw/zinc/48/20/15/814482015.db2.gz KDQKCXMDYASAJW-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135743502 814517299 /nfs/dbraw/zinc/51/72/99/814517299.db2.gz LKTVFNNJOSHCDT-VXGBXAGGSA-N 1 3 286.420 -0.053 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160428316 815620408 /nfs/dbraw/zinc/62/04/08/815620408.db2.gz ZZPZGIITIYGUGQ-ZDUSSCGKSA-N 1 3 286.420 -0.195 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCOCCO)N(C)C ZINC001160427878 815619140 /nfs/dbraw/zinc/61/91/40/815619140.db2.gz WHAIAKIGUBOPKN-ZDUSSCGKSA-N 1 3 289.420 -0.323 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001160426941 815619559 /nfs/dbraw/zinc/61/95/59/815619559.db2.gz KKOIHNASFMRVTL-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3(N)CC3)CC[C@@H]2C1 ZINC001159635134 815582682 /nfs/dbraw/zinc/58/26/82/815582682.db2.gz HZCWIYZBGFLZLR-CHWSQXEVSA-N 1 3 297.399 -0.327 20 0 CBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3(N)CC3)CC[C@@H]2C1 ZINC001159635134 815582686 /nfs/dbraw/zinc/58/26/86/815582686.db2.gz HZCWIYZBGFLZLR-CHWSQXEVSA-N 1 3 297.399 -0.327 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)C1CCCS1(=O)=O ZINC001143481226 814770531 /nfs/dbraw/zinc/77/05/31/814770531.db2.gz RUJJXJOPAXOQPS-VIFPVBQESA-N 1 3 284.341 -0.653 20 0 CBADHO CC[C@H](NCCNC(=O)CC[N@H+](C)CC)C(N)=O ZINC001146710204 814843358 /nfs/dbraw/zinc/84/33/58/814843358.db2.gz FOANXUVRWDBUHB-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CC[C@H](NCCNC(=O)CC[N@@H+](C)CC)C(N)=O ZINC001146710204 814843361 /nfs/dbraw/zinc/84/33/61/814843361.db2.gz FOANXUVRWDBUHB-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146710226 814844339 /nfs/dbraw/zinc/84/43/39/814844339.db2.gz GQKZDNMACXYAHL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146710226 814844343 /nfs/dbraw/zinc/84/43/43/814844343.db2.gz GQKZDNMACXYAHL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCc1cncn1C ZINC001146718819 814844917 /nfs/dbraw/zinc/84/49/17/814844917.db2.gz GGCVNZKWELWFAU-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCc1cncn1C ZINC001146718819 814844920 /nfs/dbraw/zinc/84/49/20/814844920.db2.gz GGCVNZKWELWFAU-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826601 814918116 /nfs/dbraw/zinc/91/81/16/814918116.db2.gz YPIKQJIMJUSOOQ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO Cn1nccc1CNCCNC(=O)COCC[NH+](C)C ZINC001147841285 814918957 /nfs/dbraw/zinc/91/89/57/814918957.db2.gz CUWRZDIIGTWRSF-UHFFFAOYSA-N 1 3 283.376 -0.796 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147877003 814920672 /nfs/dbraw/zinc/92/06/72/814920672.db2.gz BSBQNTUGSLWPMC-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147877003 814920683 /nfs/dbraw/zinc/92/06/83/814920683.db2.gz BSBQNTUGSLWPMC-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001147885468 814922376 /nfs/dbraw/zinc/92/23/76/814922376.db2.gz MJLBRLMKCCKLKQ-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001147885468 814922383 /nfs/dbraw/zinc/92/23/83/814922383.db2.gz MJLBRLMKCCKLKQ-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878108 814922741 /nfs/dbraw/zinc/92/27/41/814922741.db2.gz SACDTHULBIAPDU-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878108 814922746 /nfs/dbraw/zinc/92/27/46/814922746.db2.gz SACDTHULBIAPDU-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878212 814923068 /nfs/dbraw/zinc/92/30/68/814923068.db2.gz VCSITMBETISWDK-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878212 814923075 /nfs/dbraw/zinc/92/30/75/814923075.db2.gz VCSITMBETISWDK-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@]([NH3+])(CO)Nc1ccc(N2CCN(C)CC2)nn1 ZINC001159740036 815592354 /nfs/dbraw/zinc/59/23/54/815592354.db2.gz XWHVFEFAWCPFGS-ZDUSSCGKSA-N 1 3 280.376 -0.302 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCOCCO)C1CC1 ZINC001159923387 815604445 /nfs/dbraw/zinc/60/44/45/815604445.db2.gz DERRQTHNDHAFLM-ZDUSSCGKSA-N 1 3 287.404 -0.569 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159916739 815604798 /nfs/dbraw/zinc/60/47/98/815604798.db2.gz RTYNVKRZNCWUSE-CHWSQXEVSA-N 1 3 287.404 -0.570 20 0 CBADHO COCCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C1CCN(C)CC1 ZINC001160441294 815622476 /nfs/dbraw/zinc/62/24/76/815622476.db2.gz WBKRRMYCTVRFGE-OLZOCXBDSA-N 1 3 285.388 -0.864 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1C ZINC001160450635 815623584 /nfs/dbraw/zinc/62/35/84/815623584.db2.gz GDMPOLPBBOTGON-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)C(=O)CN(C)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160504940 815631047 /nfs/dbraw/zinc/63/10/47/815631047.db2.gz RBUJTPSNZVZSRF-NSHDSACASA-N 1 3 272.393 -0.408 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160513360 815632825 /nfs/dbraw/zinc/63/28/25/815632825.db2.gz CWFGTABMSSJOKT-ONGXEEELSA-N 1 3 268.361 -0.726 20 0 CBADHO [NH3+]C[C@@]1(Nc2ncc3c(n2)CCNC3)CN2CCC1CC2 ZINC001160512413 815633327 /nfs/dbraw/zinc/63/33/27/815633327.db2.gz VKAFBQUMFBICHV-OAHLLOKOSA-N 1 3 288.399 -0.043 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(CO)C1 ZINC001160531137 815634570 /nfs/dbraw/zinc/63/45/70/815634570.db2.gz GCLHUDZIILQBJH-LBPRGKRZSA-N 1 3 257.378 -0.067 20 0 CBADHO CN(CC1(C)COC1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160549713 815636560 /nfs/dbraw/zinc/63/65/60/815636560.db2.gz VTHXFQCGCWXSDM-LLVKDONJSA-N 1 3 255.362 -0.192 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160565034 815638303 /nfs/dbraw/zinc/63/83/03/815638303.db2.gz MQHVKBWTEPLUFF-BXUZGUMPSA-N 1 3 275.356 -0.539 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160565224 815638551 /nfs/dbraw/zinc/63/85/51/815638551.db2.gz OITDYZHFNDNMMO-JTQLQIEISA-N 1 3 261.329 -0.929 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160564408 815638780 /nfs/dbraw/zinc/63/87/80/815638780.db2.gz GQWNRHQFQVGTDL-JTQLQIEISA-N 1 3 251.334 -0.281 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160572079 815639694 /nfs/dbraw/zinc/63/96/94/815639694.db2.gz YWGAXJVRHCNYRJ-LBPRGKRZSA-N 1 3 292.387 -0.419 20 0 CBADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001160580763 815641044 /nfs/dbraw/zinc/64/10/44/815641044.db2.gz AKIUWYVZFHRMPX-MNOVXSKESA-N 1 3 271.361 -0.003 20 0 CBADHO COC(=O)C[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596933 815644427 /nfs/dbraw/zinc/64/44/27/815644427.db2.gz XPORMZOCXRCCFF-AAEUAGOBSA-N 1 3 299.371 -0.896 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H](n2cncn2)C1 ZINC001160635608 815646618 /nfs/dbraw/zinc/64/66/18/815646618.db2.gz BCCQQEWWRWXUKK-RYUDHWBXSA-N 1 3 290.371 -0.749 20 0 CBADHO CN(CC1COC1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160644535 815650636 /nfs/dbraw/zinc/65/06/36/815650636.db2.gz GCQLPJFMXLJYGY-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(CC1COC1)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160644535 815650642 /nfs/dbraw/zinc/65/06/42/815650642.db2.gz GCQLPJFMXLJYGY-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)C1(C)CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001160644511 815651012 /nfs/dbraw/zinc/65/10/12/815651012.db2.gz FETBGTNDRLYDFL-ZWNOBZJWSA-N 1 3 252.362 -0.900 20 0 CBADHO N[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)C1Cc2ccccc2C1 ZINC001160643671 815651026 /nfs/dbraw/zinc/65/10/26/815651026.db2.gz MAJKPRXUZIVESI-GJZGRUSLSA-N 1 3 289.379 -0.085 20 0 CBADHO C[C@@H]1C[C@H](O)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160656369 815653059 /nfs/dbraw/zinc/65/30/59/815653059.db2.gz WKBCOMQECSXPJH-HKUMRIAESA-N 1 3 267.373 -0.443 20 0 CBADHO CC(C)[C@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160670363 815655851 /nfs/dbraw/zinc/65/58/51/815655851.db2.gz XYWDHZNOIQEHAR-WDEREUQCSA-N 1 3 275.418 -0.111 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160683495 815657044 /nfs/dbraw/zinc/65/70/44/815657044.db2.gz MUKUHHYRFYQBNH-SNVBAGLBSA-N 1 3 269.345 -0.983 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(n2cnnc2)CC1 ZINC001160718323 815663043 /nfs/dbraw/zinc/66/30/43/815663043.db2.gz FJGKVMVNFBHZKQ-LBPRGKRZSA-N 1 3 290.371 -0.749 20 0 CBADHO CCN(CC(C)(C)O)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160755385 815667159 /nfs/dbraw/zinc/66/71/59/815667159.db2.gz HGUADEBCIVMPEE-VIFPVBQESA-N 1 3 263.407 -0.375 20 0 CBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2CCC1CC2 ZINC001160726812 815665638 /nfs/dbraw/zinc/66/56/38/815665638.db2.gz WLCJCDSAIODOPJ-AWEZNQCLSA-N 1 3 295.431 -0.957 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760168 815668991 /nfs/dbraw/zinc/66/89/91/815668991.db2.gz FWOPRBUVQPBSLJ-KXUCPTDWSA-N 1 3 277.315 -0.207 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766861 815670311 /nfs/dbraw/zinc/67/03/11/815670311.db2.gz XKTJTXKBOZBPHJ-UYXSQOIJSA-N 1 3 281.278 -0.017 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001160840028 815676194 /nfs/dbraw/zinc/67/61/94/815676194.db2.gz UFXVWMRDATYKLY-GFCCVEGCSA-N 1 3 267.373 -0.225 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001160882915 815683520 /nfs/dbraw/zinc/68/35/20/815683520.db2.gz ATOVCMUKPWJDNO-GFCCVEGCSA-N 1 3 299.419 -0.552 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CCOCCO)N(C)C ZINC001160883001 815683597 /nfs/dbraw/zinc/68/35/97/815683597.db2.gz DVOGJAYMAOEEIG-GFCCVEGCSA-N 1 3 275.393 -0.569 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001160883286 815684028 /nfs/dbraw/zinc/68/40/28/815684028.db2.gz KCYLYGCKUBYXNG-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890222 815684953 /nfs/dbraw/zinc/68/49/53/815684953.db2.gz IHJAKYQTTMOISI-LBPRGKRZSA-N 1 3 293.371 -0.087 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001160883624 815685414 /nfs/dbraw/zinc/68/54/14/815685414.db2.gz QIHAPSBHKXRCLJ-GHMZBOCLSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)N(C)C ZINC001160883464 815685839 /nfs/dbraw/zinc/68/58/39/815685839.db2.gz NLDALHMBIOYZOX-LLVKDONJSA-N 1 3 293.433 -0.533 20 0 CBADHO COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160909284 815686821 /nfs/dbraw/zinc/68/68/21/815686821.db2.gz RFHSEZNRQXPGHH-ZGVCCVRISA-N 1 3 279.384 -0.036 20 0 CBADHO N[C@H](C(=O)N(CCO)CC(F)(F)F)C1CC[NH2+]CC1 ZINC001160909128 815687407 /nfs/dbraw/zinc/68/74/07/815687407.db2.gz NBGKCOBACQKDJD-VIFPVBQESA-N 1 3 283.294 -0.304 20 0 CBADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001160965813 815691062 /nfs/dbraw/zinc/69/10/62/815691062.db2.gz YLJUEDOZCIBRJW-RJIGXRTESA-N 1 3 287.429 -0.508 20 0 CBADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)Cc1c[nH]cn1)C2 ZINC001160965851 815691109 /nfs/dbraw/zinc/69/11/09/815691109.db2.gz ZCEYFSVDSIJTLY-SCDSUCTJSA-N 1 3 277.372 -0.310 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161030754 815699803 /nfs/dbraw/zinc/69/98/03/815699803.db2.gz HNLRADVXWMZTKM-JTQLQIEISA-N 1 3 282.413 -0.680 20 0 CBADHO CC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161034212 815702262 /nfs/dbraw/zinc/70/22/62/815702262.db2.gz CQDBJKSATWPETJ-YRGRVCCFSA-N 1 3 265.357 -0.377 20 0 CBADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161050390 815704769 /nfs/dbraw/zinc/70/47/69/815704769.db2.gz MPPAZXNWTHQBDG-STQMWFEESA-N 1 3 296.415 -0.742 20 0 CBADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161050390 815704773 /nfs/dbraw/zinc/70/47/73/815704773.db2.gz MPPAZXNWTHQBDG-STQMWFEESA-N 1 3 296.415 -0.742 20 0 CBADHO CN(C(=O)[C@H](N)CCCNC(N)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058168 815705599 /nfs/dbraw/zinc/70/55/99/815705599.db2.gz PAFNLCLFOFLEMV-AXFHLTTASA-N 1 3 285.392 -0.510 20 0 CBADHO CN(C(=O)[C@H]1CNCCN1C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061603 815706174 /nfs/dbraw/zinc/70/61/74/815706174.db2.gz HOROOOSGTGLOBO-QJPTWQEYSA-N 1 3 254.378 -0.382 20 0 CBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)C1(C)CC[NH2+]CC1 ZINC001161073514 815706705 /nfs/dbraw/zinc/70/67/05/815706705.db2.gz OOQREXWHDRXTHZ-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001161081873 815711705 /nfs/dbraw/zinc/71/17/05/815711705.db2.gz MHOPJWZWXQOMBP-DDHJBXDOSA-N 1 3 253.346 -0.738 20 0 CBADHO CCN(CCC(=O)OC)C(=O)[C@@H](N)CSCC[NH3+] ZINC001161130312 815717170 /nfs/dbraw/zinc/71/71/70/815717170.db2.gz HHISQOWBUVEEPM-VIFPVBQESA-N 1 3 277.390 -0.583 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161171417 815725133 /nfs/dbraw/zinc/72/51/33/815725133.db2.gz LCADPLGFAAGRRF-STQMWFEESA-N 1 3 295.387 -0.567 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H](n2ccnn2)C1 ZINC001161234319 815729755 /nfs/dbraw/zinc/72/97/55/815729755.db2.gz AMOXGGXWEKMQKA-RYUDHWBXSA-N 1 3 290.371 -0.749 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001161226640 815730508 /nfs/dbraw/zinc/73/05/08/815730508.db2.gz MELJXUUZCSUTAJ-GFCCVEGCSA-N 1 3 289.420 -0.180 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCOCCO ZINC001161226376 815730764 /nfs/dbraw/zinc/73/07/64/815730764.db2.gz FULNXYORRMWBDR-UHFFFAOYSA-N 1 3 289.420 -0.179 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246904 815733620 /nfs/dbraw/zinc/73/36/20/815733620.db2.gz RVPGMBHBTZJFAP-GAFUQQFSSA-N 1 3 288.367 -0.625 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161270341 815735400 /nfs/dbraw/zinc/73/54/00/815735400.db2.gz MYNANEZRBQDRKR-MNOVXSKESA-N 1 3 288.417 -0.867 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161295546 815737282 /nfs/dbraw/zinc/73/72/82/815737282.db2.gz LIRFYEROUZIECQ-NEPJUHHUSA-N 1 3 293.371 -0.087 20 0 CBADHO Cc1cccc(N(C(=O)[C@@H](N)CN)C2CC[NH2+]CC2)n1 ZINC001161304034 815738105 /nfs/dbraw/zinc/73/81/05/815738105.db2.gz SZCWCICSTALQPA-LBPRGKRZSA-N 1 3 277.372 -0.239 20 0 CBADHO CCN(C(=O)CN1CCCC[C@H](N)C1=O)[C@@H]1CCC[NH2+]C1 ZINC001161331438 815741875 /nfs/dbraw/zinc/74/18/75/815741875.db2.gz XORZXZCPZJLATM-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN(C(=O)[C@@H](N)CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161333607 815743385 /nfs/dbraw/zinc/74/33/85/815743385.db2.gz VIPCCAQDXKXNTG-QWRGUYRKSA-N 1 3 285.392 -0.637 20 0 CBADHO CCN(C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H]1CCC[NH2+]C1 ZINC001161340249 815746423 /nfs/dbraw/zinc/74/64/23/815746423.db2.gz QDWQZMFDZOSNIP-GARJFASQSA-N 1 3 270.377 -0.561 20 0 CBADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@@H]3COCCN3)C2)CC1 ZINC001161381666 815748236 /nfs/dbraw/zinc/74/82/36/815748236.db2.gz YUROKFYXXRQNSI-ZIAGYGMSSA-N 1 3 296.415 -0.611 20 0 CBADHO COc1cc(N(C(=O)[C@@H](N)CN)C2CC[NH2+]CC2)ccn1 ZINC001161386234 815748516 /nfs/dbraw/zinc/74/85/16/815748516.db2.gz OISUEVFWPOZIIX-LBPRGKRZSA-N 1 3 293.371 -0.539 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413865 815752013 /nfs/dbraw/zinc/75/20/13/815752013.db2.gz RLYPXAAPMHWMRJ-ROEYZRMQSA-N 1 3 296.415 -0.328 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC001161414334 815752692 /nfs/dbraw/zinc/75/26/92/815752692.db2.gz VCQYMFJEBGHDJJ-RVMXOQNASA-N 1 3 294.399 -0.478 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(=O)NC2(CCCC2)C1 ZINC001161417907 815753617 /nfs/dbraw/zinc/75/36/17/815753617.db2.gz YXGCTHDDLSVWOD-NSHDSACASA-N 1 3 292.383 -0.933 20 0 CBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N)CC2 ZINC001161478202 815759020 /nfs/dbraw/zinc/75/90/20/815759020.db2.gz LJBSZEKKRMDKTH-KBVBSXBZSA-N 1 3 255.318 -0.913 20 0 CBADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001161489967 815761537 /nfs/dbraw/zinc/76/15/37/815761537.db2.gz SMZYQDBMRHYWFT-AAEUAGOBSA-N 1 3 265.361 -0.133 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@H](N)Cc2cccc(O)c2)C[C@@H]1[NH3+] ZINC001161491528 815761855 /nfs/dbraw/zinc/76/18/55/815761855.db2.gz FJPZVUPGYYWCFW-FRRDWIJNSA-N 1 3 279.340 -0.554 20 0 CBADHO NCc1cn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)cn1 ZINC001162301954 815811389 /nfs/dbraw/zinc/81/13/89/815811389.db2.gz GKVYRVVONPBZCM-NSHDSACASA-N 1 3 260.301 -0.138 20 0 CBADHO COc1c(C2C[NH2+]C2)ncnc1-n1nccc1CN ZINC001162593079 815835450 /nfs/dbraw/zinc/83/54/50/815835450.db2.gz WFZIJJFRGFXKPV-UHFFFAOYSA-N 1 3 260.301 -0.184 20 0 CBADHO c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc2c1CCNC2 ZINC001163191442 815863608 /nfs/dbraw/zinc/86/36/08/815863608.db2.gz MFULQWMHPBFQFG-ZWNOBZJWSA-N 1 3 261.329 -0.335 20 0 CBADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001300147629 816737641 /nfs/dbraw/zinc/73/76/41/816737641.db2.gz HDOGWRQHDISORA-FRRDWIJNSA-N 1 3 269.389 -0.148 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCO)C1)N(C)C ZINC001317065737 816927318 /nfs/dbraw/zinc/92/73/18/816927318.db2.gz VRUDFASRFSJKBH-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317588413 817024795 /nfs/dbraw/zinc/02/47/95/817024795.db2.gz GXRNBZHBKHMXEI-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317588413 817024802 /nfs/dbraw/zinc/02/48/02/817024802.db2.gz GXRNBZHBKHMXEI-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCCO)C2)CC1 ZINC001318272920 817093057 /nfs/dbraw/zinc/09/30/57/817093057.db2.gz GLUWCNOLZFHYID-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001319114260 817167261 /nfs/dbraw/zinc/16/72/61/817167261.db2.gz XGCHQRGEQNRWMR-CMPLNLGQSA-N 1 3 266.345 -0.086 20 0 CBADHO COCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001320998072 817426081 /nfs/dbraw/zinc/42/60/81/817426081.db2.gz MRMJIJANQIIPID-VSQXVHSFSA-N 1 3 255.362 -0.011 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321083134 817438698 /nfs/dbraw/zinc/43/86/98/817438698.db2.gz HEDGQVVJJNZSBA-QITAHTHBSA-N 1 3 296.415 -0.003 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321083134 817438704 /nfs/dbraw/zinc/43/87/04/817438704.db2.gz HEDGQVVJJNZSBA-QITAHTHBSA-N 1 3 296.415 -0.003 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321248309 817468095 /nfs/dbraw/zinc/46/80/95/817468095.db2.gz AUVNNCMFEVTWFW-DRHCNIFCSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321248309 817468103 /nfs/dbraw/zinc/46/81/03/817468103.db2.gz AUVNNCMFEVTWFW-DRHCNIFCSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321248307 817468842 /nfs/dbraw/zinc/46/88/42/817468842.db2.gz AUVNNCMFEVTWFW-CIUCYMIDSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321248307 817468850 /nfs/dbraw/zinc/46/88/50/817468850.db2.gz AUVNNCMFEVTWFW-CIUCYMIDSA-N 1 3 296.415 -0.275 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001321349729 817487428 /nfs/dbraw/zinc/48/74/28/817487428.db2.gz KZNDDUYWWQAURQ-FNSAGKMKSA-N 1 3 284.404 -0.292 20 0 CBADHO C[N@H+](C1CN(c2ncc3c(n2)CNC3)C1)[C@@H]1CCOC1 ZINC001165205866 819943655 /nfs/dbraw/zinc/94/36/55/819943655.db2.gz VMTWJLJFNQXGQE-LLVKDONJSA-N 1 3 275.356 -0.011 20 0 CBADHO C[N@@H+](C1CN(c2ncc3c(n2)CNC3)C1)[C@@H]1CCOC1 ZINC001165205866 819943661 /nfs/dbraw/zinc/94/36/61/819943661.db2.gz VMTWJLJFNQXGQE-LLVKDONJSA-N 1 3 275.356 -0.011 20 0 CBADHO c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1CNCC2 ZINC001165220571 819943678 /nfs/dbraw/zinc/94/36/78/819943678.db2.gz SATCMCLHFDQOPW-UHFFFAOYSA-N 1 3 256.313 -0.046 20 0 CBADHO c1nc(C2C[NH2+]C2)cc(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165275400 819946912 /nfs/dbraw/zinc/94/69/12/819946912.db2.gz OZMSQFJVGHJVTK-AAEUAGOBSA-N 1 3 275.356 -0.270 20 0 CBADHO c1nc(N2CCOCC23C[NH2+]C3)nc2c1CNCC2 ZINC001165287635 819949772 /nfs/dbraw/zinc/94/97/72/819949772.db2.gz IQZOZBQAKIZKSI-UHFFFAOYSA-N 1 3 261.329 -0.699 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001165484368 819968349 /nfs/dbraw/zinc/96/83/49/819968349.db2.gz CSVZIIJONUTLSE-CYBMUJFWSA-N 1 3 296.415 -0.312 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772321 819981588 /nfs/dbraw/zinc/98/15/88/819981588.db2.gz MYNIODMHUMPIOO-UHFFFAOYSA-N 1 3 294.403 -0.247 20 0 CBADHO CCn1nncc1CNCCCNC(=O)CC[NH+](C)C ZINC001165794282 819984130 /nfs/dbraw/zinc/98/41/30/819984130.db2.gz QFHIHHXJJYBREK-UHFFFAOYSA-N 1 3 282.392 -0.154 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010246 819989574 /nfs/dbraw/zinc/98/95/74/819989574.db2.gz MMDVGUKGHRMADH-CHWSQXEVSA-N 1 3 289.420 -0.324 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001166626637 820008953 /nfs/dbraw/zinc/00/89/53/820008953.db2.gz IIHLMDGGQTZEEQ-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001166627454 820010202 /nfs/dbraw/zinc/01/02/02/820010202.db2.gz VYPKIRVKTWJZSG-ZDUSSCGKSA-N 1 3 294.403 -0.142 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001166626163 820010900 /nfs/dbraw/zinc/01/09/00/820010900.db2.gz BVDLXVPFDQPSND-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001166676646 820014325 /nfs/dbraw/zinc/01/43/25/820014325.db2.gz AJUDTIDPJQPVPF-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)N(C)C ZINC001166858134 820041397 /nfs/dbraw/zinc/04/13/97/820041397.db2.gz NLDALHMBIOYZOX-NSHDSACASA-N 1 3 293.433 -0.533 20 0 CBADHO N=C(NCCCC[NH3+])Nc1cnc(C(N)=O)cn1 ZINC001167878766 820124902 /nfs/dbraw/zinc/12/49/02/820124902.db2.gz CZDNWLCWMGITDJ-UHFFFAOYSA-N 1 3 251.294 -0.749 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CCOCCO ZINC001168756423 820176871 /nfs/dbraw/zinc/17/68/71/820176871.db2.gz YMKBOBINFQCPNB-UHFFFAOYSA-N 1 3 275.393 -0.567 20 0 CBADHO C[NH+]1CCN(C(=N)Nc2ncc3c(n2)OCC(=O)N3)CC1 ZINC001168735616 820169141 /nfs/dbraw/zinc/16/91/41/820169141.db2.gz DADYJVUAFUVVCB-UHFFFAOYSA-N 1 3 291.315 -0.598 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001168754795 820173920 /nfs/dbraw/zinc/17/39/20/820173920.db2.gz BVOBOLLMLMLITM-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001168754822 820174501 /nfs/dbraw/zinc/17/45/01/820174501.db2.gz CDZFANUTRHQOLB-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1ncc2c(n1)CNCC2 ZINC001168982134 820198797 /nfs/dbraw/zinc/19/87/97/820198797.db2.gz DBIJSZSYLHCGGX-UHFFFAOYSA-N 1 3 259.317 -0.487 20 0 CBADHO CN1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])S(C)(=O)=O)C2 ZINC001169081631 820206472 /nfs/dbraw/zinc/20/64/72/820206472.db2.gz USKCQNSUCGPNCI-URLYPYJESA-N 1 3 261.391 -0.168 20 0 CBADHO NCc1cnnn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169310513 820226253 /nfs/dbraw/zinc/22/62/53/820226253.db2.gz ZNDARGHLRNCMEJ-SNVBAGLBSA-N 1 3 261.289 -0.743 20 0 CBADHO NCc1cnnn1-c1ccnc(N2CCC([NH3+])CC2)n1 ZINC001169307687 820226598 /nfs/dbraw/zinc/22/65/98/820226598.db2.gz AHKVKWNAZJPMSM-UHFFFAOYSA-N 1 3 274.332 -0.557 20 0 CBADHO NCc1cnnn1-c1c[nH+]ccc1N1CCOCC1 ZINC001169309652 820226971 /nfs/dbraw/zinc/22/69/71/820226971.db2.gz HOTGGUSXTKZVGC-UHFFFAOYSA-N 1 3 260.301 -0.042 20 0 CBADHO C[C@H](Nc1ncc2c(n1)CNCC2)[C@H]1C[NH2+]CCO1 ZINC001170566151 820306428 /nfs/dbraw/zinc/30/64/28/820306428.db2.gz XIEVDCIJMRTKFB-JOYOIKCWSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1nccnc1N1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001170558031 820306784 /nfs/dbraw/zinc/30/67/84/820306784.db2.gz KEGAOWNEGIZQIR-VXGBXAGGSA-N 1 3 292.387 -0.325 20 0 CBADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)ccn1 ZINC001170772419 820316491 /nfs/dbraw/zinc/31/64/91/820316491.db2.gz CIXMSRBINSIIJN-WCQYABFASA-N 1 3 278.356 -0.090 20 0 CBADHO OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc2c(n1)OCCNC2 ZINC001170772708 820316825 /nfs/dbraw/zinc/31/68/25/820316825.db2.gz DJLNBYJZBNIFRM-MNOVXSKESA-N 1 3 264.329 -0.444 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001171762992 820370434 /nfs/dbraw/zinc/37/04/34/820370434.db2.gz PKWUCFDGVFVUDO-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171762588 820371050 /nfs/dbraw/zinc/37/10/50/820371050.db2.gz HBNCGKVDWZUDQB-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CN1[C@@H]2CCC[C@H]1C[C@@H](NS(=O)(=O)CC[NH3+])C2 ZINC001172100224 820382440 /nfs/dbraw/zinc/38/24/40/820382440.db2.gz BKDMNQXNDGMCEZ-JGPRNRPPSA-N 1 3 261.391 -0.120 20 0 CBADHO COCCC[NH+]1CCC(N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001172251125 820392424 /nfs/dbraw/zinc/39/24/24/820392424.db2.gz BDLSVPFZZXYCAN-OCCSQVGLSA-N 1 3 272.389 -0.228 20 0 CBADHO COCCC[NH+]1CCC(N2C[C@H](CO)[C@H](O)C2)CC1 ZINC001172251126 820393070 /nfs/dbraw/zinc/39/30/70/820393070.db2.gz BDLSVPFZZXYCAN-TZMCWYRMSA-N 1 3 272.389 -0.228 20 0 CBADHO CC(C)(C)OC(=O)CN1CCC(NC[C@@H](O)C[NH3+])CC1 ZINC001172883005 820398001 /nfs/dbraw/zinc/39/80/01/820398001.db2.gz HSBRNOKLIUODLE-LBPRGKRZSA-N 1 3 287.404 -0.298 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)Cc1c[nH]cn1 ZINC001176836698 820460913 /nfs/dbraw/zinc/46/09/13/820460913.db2.gz OIIWHUUGZHYLOK-UHFFFAOYSA-N 1 3 254.290 -0.697 20 0 CBADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC(N)=O)c1 ZINC001176890074 820476855 /nfs/dbraw/zinc/47/68/55/820476855.db2.gz LVIWMAXYKJOEJK-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN(C)C(C)C)C(N)=O ZINC001176975061 820485088 /nfs/dbraw/zinc/48/50/88/820485088.db2.gz JRIBHRXEZFPTTO-LLVKDONJSA-N 1 3 272.393 -0.314 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001176992468 820486582 /nfs/dbraw/zinc/48/65/82/820486582.db2.gz QFCXPTMJBKEEPR-GFCCVEGCSA-N 1 3 257.378 -0.051 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356177 820576949 /nfs/dbraw/zinc/57/69/49/820576949.db2.gz JABUBTXTZXDPTQ-SDDRHHMPSA-N 1 3 282.388 -0.594 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008745 820613684 /nfs/dbraw/zinc/61/36/84/820613684.db2.gz RBNSJCCMPWMOMM-NEPJUHHUSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008745 820613685 /nfs/dbraw/zinc/61/36/85/820613685.db2.gz RBNSJCCMPWMOMM-NEPJUHHUSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008746 820614712 /nfs/dbraw/zinc/61/47/12/820614712.db2.gz RBNSJCCMPWMOMM-NWDGAFQWSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008746 820614721 /nfs/dbraw/zinc/61/47/21/820614721.db2.gz RBNSJCCMPWMOMM-NWDGAFQWSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179435771 820626889 /nfs/dbraw/zinc/62/68/89/820626889.db2.gz WASKUQFFNCKZDK-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472827 820630382 /nfs/dbraw/zinc/63/03/82/820630382.db2.gz ZXQZYIRPTRUQQY-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179618062 820636854 /nfs/dbraw/zinc/63/68/54/820636854.db2.gz ZGAIKKBEGSFAIB-DRZSPHRISA-N 1 3 296.371 -0.462 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179982712 820647226 /nfs/dbraw/zinc/64/72/26/820647226.db2.gz DHYIPQWKFYXSLE-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124528 820650740 /nfs/dbraw/zinc/65/07/40/820650740.db2.gz IMVWINJSNSFMFO-SRVKXCTJSA-N 1 3 282.388 -0.737 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124528 820650744 /nfs/dbraw/zinc/65/07/44/820650744.db2.gz IMVWINJSNSFMFO-SRVKXCTJSA-N 1 3 282.388 -0.737 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181651266 820807049 /nfs/dbraw/zinc/80/70/49/820807049.db2.gz ABAIZBRPEXSNHV-OLZOCXBDSA-N 1 3 285.388 -0.720 20 0 CBADHO COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653320 820807535 /nfs/dbraw/zinc/80/75/35/820807535.db2.gz XSQAHRBLCKLGTP-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@@H]21 ZINC001182032774 820854647 /nfs/dbraw/zinc/85/46/47/820854647.db2.gz IWESFODNXYESKG-OLZOCXBDSA-N 1 3 281.400 -0.004 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCNC1=O ZINC001183027638 820967577 /nfs/dbraw/zinc/96/75/77/820967577.db2.gz SZUUYWNMRPPPCD-VIFPVBQESA-N 1 3 269.349 -0.814 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CCC1 ZINC001183229384 820982945 /nfs/dbraw/zinc/98/29/45/820982945.db2.gz JLICUTOCBWLANK-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183266874 820986205 /nfs/dbraw/zinc/98/62/05/820986205.db2.gz HERHTHYQKUCKDF-MGPQQGTHSA-N 1 3 299.415 -0.476 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184859195 821088720 /nfs/dbraw/zinc/08/87/20/821088720.db2.gz XVXLSZJCAOVHPQ-QJPTWQEYSA-N 1 3 282.388 -0.594 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185213221 821103182 /nfs/dbraw/zinc/10/31/82/821103182.db2.gz JRMFDKJKLXEFRM-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230411 821104053 /nfs/dbraw/zinc/10/40/53/821104053.db2.gz QSJPOZZZTNLLAR-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249523 821111705 /nfs/dbraw/zinc/11/17/05/821111705.db2.gz ZIPYDIWEGKABEP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185249521 821112010 /nfs/dbraw/zinc/11/20/10/821112010.db2.gz ZFUFJSFVJHTGRP-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416613 821128557 /nfs/dbraw/zinc/12/85/57/821128557.db2.gz YTLSLXVLVSVLKH-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001185401884 821129030 /nfs/dbraw/zinc/12/90/30/821129030.db2.gz XXICFTHBMTVJGK-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001185408766 821129295 /nfs/dbraw/zinc/12/92/95/821129295.db2.gz YKUSKMWBOYDLBN-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650084 821136204 /nfs/dbraw/zinc/13/62/04/821136204.db2.gz BXKXVMPBYKAJGS-MJBXVCDLSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185918176 821144911 /nfs/dbraw/zinc/14/49/11/821144911.db2.gz KPOMTKPOXBYESS-PWSUYJOCSA-N 1 3 282.344 -0.850 20 0 CBADHO CN1CCC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001186345421 821180206 /nfs/dbraw/zinc/18/02/06/821180206.db2.gz IDQXXKYDAACKLN-VIFPVBQESA-N 1 3 263.363 -0.925 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1)C(N)=O ZINC001186496314 821184297 /nfs/dbraw/zinc/18/42/97/821184297.db2.gz DHEGJEKOBYENDC-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001186496942 821185409 /nfs/dbraw/zinc/18/54/09/821185409.db2.gz UMXYPIWSMYHGHJ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001186816541 821198162 /nfs/dbraw/zinc/19/81/62/821198162.db2.gz AEBWJDDEJQNQLX-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001186816541 821198166 /nfs/dbraw/zinc/19/81/66/821198166.db2.gz AEBWJDDEJQNQLX-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121052 821213038 /nfs/dbraw/zinc/21/30/38/821213038.db2.gz AKSLKSBHISZNDT-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001280659967 828371138 /nfs/dbraw/zinc/37/11/38/828371138.db2.gz OUDCQYKUKGWRRB-CYBMUJFWSA-N 1 3 287.404 -0.208 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001187291581 822262852 /nfs/dbraw/zinc/26/28/52/822262852.db2.gz VQSWXDIXWMWPIR-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001187322699 822267759 /nfs/dbraw/zinc/26/77/59/822267759.db2.gz SPXGDFAPJSFXHS-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825336 822297881 /nfs/dbraw/zinc/29/78/81/822297881.db2.gz KWMJPMSBEJZFOM-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825336 822297888 /nfs/dbraw/zinc/29/78/88/822297888.db2.gz KWMJPMSBEJZFOM-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818577 822297940 /nfs/dbraw/zinc/29/79/40/822297940.db2.gz REKSQWBOZLZAHS-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818577 822297950 /nfs/dbraw/zinc/29/79/50/822297950.db2.gz REKSQWBOZLZAHS-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187825673 822298359 /nfs/dbraw/zinc/29/83/59/822298359.db2.gz QCVMAJZHGJLEEB-DGCLKSJQSA-N 1 3 294.399 -0.593 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187825673 822298372 /nfs/dbraw/zinc/29/83/72/822298372.db2.gz QCVMAJZHGJLEEB-DGCLKSJQSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001187842929 822300032 /nfs/dbraw/zinc/30/00/32/822300032.db2.gz SBONFGBMVHZUER-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001189391361 823752517 /nfs/dbraw/zinc/75/25/17/823752517.db2.gz XOTVGIIKIWTSFU-UONOGXRCSA-N 1 3 299.415 -0.378 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001189391361 823752525 /nfs/dbraw/zinc/75/25/25/823752525.db2.gz XOTVGIIKIWTSFU-UONOGXRCSA-N 1 3 299.415 -0.378 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001189391353 823753638 /nfs/dbraw/zinc/75/36/38/823753638.db2.gz XOTVGIIKIWTSFU-KBPBESRZSA-N 1 3 299.415 -0.378 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001189391353 823753639 /nfs/dbraw/zinc/75/36/39/823753639.db2.gz XOTVGIIKIWTSFU-KBPBESRZSA-N 1 3 299.415 -0.378 20 0 CBADHO COCCN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810882 823775587 /nfs/dbraw/zinc/77/55/87/823775587.db2.gz LDIRFJJESXQFEE-UONOGXRCSA-N 1 3 299.415 -0.256 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccn[nH]c1=O ZINC001192405427 823967787 /nfs/dbraw/zinc/96/77/87/823967787.db2.gz ZRGYGVXNNVTRHG-UHFFFAOYSA-N 1 3 280.332 -0.140 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001192948234 823993314 /nfs/dbraw/zinc/99/33/14/823993314.db2.gz QXYRWVWRTZPUMO-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192948234 823993316 /nfs/dbraw/zinc/99/33/16/823993316.db2.gz QXYRWVWRTZPUMO-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+](C)C ZINC001284445302 828596734 /nfs/dbraw/zinc/59/67/34/828596734.db2.gz RLBXNCWTSXFYJN-NWDGAFQWSA-N 1 3 277.384 -0.049 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnnn1C ZINC001193142963 824009604 /nfs/dbraw/zinc/00/96/04/824009604.db2.gz RNEYQODGSNCOQD-UHFFFAOYSA-N 1 3 267.337 -0.507 20 0 CBADHO C[N@H+](CCCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036670 824056463 /nfs/dbraw/zinc/05/64/63/824056463.db2.gz BYOYSMXAJKFLSS-ZDUSSCGKSA-N 1 3 269.389 -0.003 20 0 CBADHO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036670 824056465 /nfs/dbraw/zinc/05/64/65/824056465.db2.gz BYOYSMXAJKFLSS-ZDUSSCGKSA-N 1 3 269.389 -0.003 20 0 CBADHO CCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871251 824135227 /nfs/dbraw/zinc/13/52/27/824135227.db2.gz OUAGGXFZSMRSDU-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)OC ZINC001195859046 824134707 /nfs/dbraw/zinc/13/47/07/824134707.db2.gz COYHRSFTUSQZRA-YNEHKIRRSA-N 1 3 287.404 -0.476 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001195860031 824135805 /nfs/dbraw/zinc/13/58/05/824135805.db2.gz SHXIGJUMKYYDFK-BFHYXJOUSA-N 1 3 299.415 -0.332 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001195860032 824135857 /nfs/dbraw/zinc/13/58/57/824135857.db2.gz SHXIGJUMKYYDFK-MGPQQGTHSA-N 1 3 299.415 -0.332 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197775893 824202174 /nfs/dbraw/zinc/20/21/74/824202174.db2.gz PLLRWOZFMDGIRP-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197775893 824202179 /nfs/dbraw/zinc/20/21/79/824202179.db2.gz PLLRWOZFMDGIRP-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097402 824218534 /nfs/dbraw/zinc/21/85/34/824218534.db2.gz ACDNCQCWLOTEJV-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO COC[C@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097402 824218540 /nfs/dbraw/zinc/21/85/40/824218540.db2.gz ACDNCQCWLOTEJV-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198655023 824236309 /nfs/dbraw/zinc/23/63/09/824236309.db2.gz YKMQYQIVTPOCQV-JHJVBQTASA-N 1 3 285.388 -0.864 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198655023 824236315 /nfs/dbraw/zinc/23/63/15/824236315.db2.gz YKMQYQIVTPOCQV-JHJVBQTASA-N 1 3 285.388 -0.864 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483794 824332931 /nfs/dbraw/zinc/33/29/31/824332931.db2.gz OWQBKLAOJWPYBS-WCQYABFASA-N 1 3 296.371 -0.460 20 0 CBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705459 824362811 /nfs/dbraw/zinc/36/28/11/824362811.db2.gz WJBPPNXCADBPCG-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705129 824362900 /nfs/dbraw/zinc/36/29/00/824362900.db2.gz MCOVGZDHSHKOIS-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203925482 824363655 /nfs/dbraw/zinc/36/36/55/824363655.db2.gz PJANWYBMBNVDDZ-LLVKDONJSA-N 1 3 284.404 -0.219 20 0 CBADHO [NH3+]C[C@@]1(O)CCCN(Cc2cnc3n2CCNC3)CC1 ZINC001205256893 824376386 /nfs/dbraw/zinc/37/63/86/824376386.db2.gz RWOMFYGFNQXGLE-CQSZACIVSA-N 1 3 279.388 -0.338 20 0 CBADHO [NH3+][C@@H]1CN(Cc2nc3c(s2)CNCC3)C[C@H]1O ZINC001205363224 824378302 /nfs/dbraw/zinc/37/83/02/824378302.db2.gz HLZDGFGCKJEQJW-VXNVDRBHSA-N 1 3 254.359 -0.707 20 0 CBADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001205516238 824379876 /nfs/dbraw/zinc/37/98/76/824379876.db2.gz URZOFUTXSHAXFP-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCC[C@](O)(C[NH3+])C1 ZINC001205673899 824380894 /nfs/dbraw/zinc/38/08/94/824380894.db2.gz VKQANCYDNJGQKQ-ZDUSSCGKSA-N 1 3 282.344 -0.128 20 0 CBADHO C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001206401148 824398183 /nfs/dbraw/zinc/39/81/83/824398183.db2.gz BPZWRRIRJVTDCX-JTQLQIEISA-N 1 3 293.371 -0.346 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206953522 824414224 /nfs/dbraw/zinc/41/42/24/824414224.db2.gz PEIFADWJFYBPQZ-UHFFFAOYSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208454082 824452854 /nfs/dbraw/zinc/45/28/54/824452854.db2.gz SIHPUZSBBCVFIL-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208454082 824452857 /nfs/dbraw/zinc/45/28/57/824452857.db2.gz SIHPUZSBBCVFIL-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001209323981 824468284 /nfs/dbraw/zinc/46/82/84/824468284.db2.gz NRMNYCADZKPNEX-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001209322920 824468660 /nfs/dbraw/zinc/46/86/60/824468660.db2.gz BORMYRMSPDFPLZ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323316 824469045 /nfs/dbraw/zinc/46/90/45/824469045.db2.gz HNADOCDKIADFHF-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001209445293 824470536 /nfs/dbraw/zinc/47/05/36/824470536.db2.gz LQOKJEBCZIZVIE-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001209420223 824470623 /nfs/dbraw/zinc/47/06/23/824470623.db2.gz SRHDXWHPCOIUMW-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445045 824470767 /nfs/dbraw/zinc/47/07/67/824470767.db2.gz JWZIFRUBVPDMKY-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454619 824472252 /nfs/dbraw/zinc/47/22/52/824472252.db2.gz MTHAKRXBTGPQRE-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209641333 824473585 /nfs/dbraw/zinc/47/35/85/824473585.db2.gz IPWRGQLMTDITFK-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001209668107 824473959 /nfs/dbraw/zinc/47/39/59/824473959.db2.gz BGZCKERQOBKARM-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001209669606 824474289 /nfs/dbraw/zinc/47/42/89/824474289.db2.gz QITOWLGCYSGPHH-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210217516 824478558 /nfs/dbraw/zinc/47/85/58/824478558.db2.gz JRYHDLGDZZFZHX-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1N[C@@H]1CCNC1=O ZINC001215421613 824541441 /nfs/dbraw/zinc/54/14/41/824541441.db2.gz IOMYSJWDAQZQEB-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453726 824541905 /nfs/dbraw/zinc/54/19/05/824541905.db2.gz PALGFESRVLCHNK-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001215571216 824544020 /nfs/dbraw/zinc/54/40/20/824544020.db2.gz FKVLYIHKGPUTQB-UPJWGTAASA-N 1 3 298.431 -0.149 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001215998849 824545364 /nfs/dbraw/zinc/54/53/64/824545364.db2.gz FIVXSNZUTBSLCO-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216002005 824545831 /nfs/dbraw/zinc/54/58/31/824545831.db2.gz OBZYWBIROWAXSS-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C(OC[C@H]1CNCCO1)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822094 824562767 /nfs/dbraw/zinc/56/27/67/824562767.db2.gz KGXBENBJLBDTGN-XQHKEYJVSA-N 1 3 256.346 -0.242 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc1 ZINC001218332733 824566868 /nfs/dbraw/zinc/56/68/68/824566868.db2.gz AVYZAJAWGRPROJ-OLZOCXBDSA-N 1 3 261.325 -0.052 20 0 CBADHO N[C@@H](C(=O)Nc1ncnc2n[nH]nc21)C1CC[NH2+]CC1 ZINC001218515208 824578966 /nfs/dbraw/zinc/57/89/66/824578966.db2.gz COYXSLNMQPLYNT-SSDOTTSWSA-N 1 3 276.304 -0.987 20 0 CBADHO COc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ncn1 ZINC001218535326 824585742 /nfs/dbraw/zinc/58/57/42/824585742.db2.gz IDQRHMIYKBQHAD-NSHDSACASA-N 1 3 265.317 -0.249 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551590 824589835 /nfs/dbraw/zinc/58/98/35/824589835.db2.gz QHHUDTIQHSCVIZ-GFCCVEGCSA-N 1 3 293.371 -0.077 20 0 CBADHO Cc1noc([N-]C(=O)[C@@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218551946 824589950 /nfs/dbraw/zinc/58/99/50/824589950.db2.gz WLLQHBMSWQHOSA-LURJTMIESA-N 1 3 255.278 -0.913 20 0 CBADHO Cc1noc(NC(=O)[C@@H](N)CCC[NH3+])c1C(N)=O ZINC001218551946 824589953 /nfs/dbraw/zinc/58/99/53/824589953.db2.gz WLLQHBMSWQHOSA-LURJTMIESA-N 1 3 255.278 -0.913 20 0 CBADHO CN(C)c1ccncc1NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001218562827 824591003 /nfs/dbraw/zinc/59/10/03/824591003.db2.gz CFKQDLNTHUEOHP-MNOVXSKESA-N 1 3 250.302 -0.191 20 0 CBADHO CN(C)c1ccncc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218563147 824591021 /nfs/dbraw/zinc/59/10/21/824591021.db2.gz LSTQLTGTDCFUGB-KCJUWKMLSA-N 1 3 250.302 -0.334 20 0 CBADHO COc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)no1 ZINC001218574719 824597428 /nfs/dbraw/zinc/59/74/28/824597428.db2.gz ZFOPDQGKUKBLLE-SNVBAGLBSA-N 1 3 254.290 -0.051 20 0 CBADHO O=C(Nc1noc2nccnc12)[C@H]1C[NH2+]CC12CNC2 ZINC001218574732 824598103 /nfs/dbraw/zinc/59/81/03/824598103.db2.gz ZSHUQNLMCUPJTB-SSDOTTSWSA-N 1 3 274.284 -0.635 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001218579799 824598803 /nfs/dbraw/zinc/59/88/03/824598803.db2.gz LJBAXQIFJAWCQM-NSHDSACASA-N 1 3 293.327 -0.471 20 0 CBADHO COc1ncc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001218593771 824600094 /nfs/dbraw/zinc/60/00/94/824600094.db2.gz OFDKOYYKECTFCL-JTQLQIEISA-N 1 3 265.317 -0.249 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218604046 824601269 /nfs/dbraw/zinc/60/12/69/824601269.db2.gz KVTNLVCYQPWJPB-QMMMGPOBSA-N 1 3 255.297 -0.215 20 0 CBADHO Nc1cnc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218623294 824607388 /nfs/dbraw/zinc/60/73/88/824607388.db2.gz GMMSNAHADKMJDH-PRHODGIISA-N 1 3 262.317 -0.804 20 0 CBADHO Cc1ncnc(C)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218638168 824611041 /nfs/dbraw/zinc/61/10/41/824611041.db2.gz MNQULICWRWJTFD-SNVBAGLBSA-N 1 3 261.329 -0.159 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218641591 824612766 /nfs/dbraw/zinc/61/27/66/824612766.db2.gz GIUFSZMIMYMPPL-SSDOTTSWSA-N 1 3 296.762 -0.644 20 0 CBADHO CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c[nH]1 ZINC001218650156 824615667 /nfs/dbraw/zinc/61/56/67/824615667.db2.gz SXWOGIZVDIJDMT-SNVBAGLBSA-N 1 3 292.339 -0.061 20 0 CBADHO N[C@H](C(=O)Nc1ccn2cnnc2c1)C1CC[NH2+]CC1 ZINC001218659799 824618461 /nfs/dbraw/zinc/61/84/61/824618461.db2.gz VYNDNVKXSQJIBN-LBPRGKRZSA-N 1 3 274.328 -0.005 20 0 CBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218679525 824620707 /nfs/dbraw/zinc/62/07/07/824620707.db2.gz URPGIDRPKHYOQE-ZETCQYMHSA-N 1 3 263.301 -0.883 20 0 CBADHO Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ncn1C ZINC001218693851 824622197 /nfs/dbraw/zinc/62/21/97/824622197.db2.gz VDXWRMMZOBRPCE-ZWNOBZJWSA-N 1 3 263.345 -0.134 20 0 CBADHO Cc1c(NC(=O)[C@H](N)C2CC[NH2+]CC2)ncn1C ZINC001218691192 824622211 /nfs/dbraw/zinc/62/22/11/824622211.db2.gz HLIHNOROGZLYQF-SNVBAGLBSA-N 1 3 251.334 -0.006 20 0 CBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218700376 824623422 /nfs/dbraw/zinc/62/34/22/824623422.db2.gz XQPUTLMISZGILU-MRVPVSSYSA-N 1 3 287.327 -0.591 20 0 CBADHO Cc1ncn(C)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218697951 824623885 /nfs/dbraw/zinc/62/38/85/824623885.db2.gz KZCSJCIGMWDUJI-SNVBAGLBSA-N 1 3 251.334 -0.006 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218710259 824625834 /nfs/dbraw/zinc/62/58/34/824625834.db2.gz DLPMJDTZVYJHIO-ARENWVFISA-N 1 3 266.301 -0.240 20 0 CBADHO N[C@@]1(C(=O)Nc2cc([C@@H]3CCCN3)no2)CC[NH2+]C1 ZINC001218714300 824627369 /nfs/dbraw/zinc/62/73/69/824627369.db2.gz XIJSROYOUFYSRK-UFBFGSQYSA-N 1 3 265.317 -0.272 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218713116 824627601 /nfs/dbraw/zinc/62/76/01/824627601.db2.gz QRHLHDVPGWIVKV-BHDSKKPTSA-N 1 3 291.355 -0.011 20 0 CBADHO Cc1cc(=O)c(N)c(C)n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218718387 824627966 /nfs/dbraw/zinc/62/79/66/824627966.db2.gz PBCWGHALJQDYPB-IAQYHMDHSA-N 1 3 290.367 -0.113 20 0 CBADHO CN(C)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[nH]n1 ZINC001218743623 824632116 /nfs/dbraw/zinc/63/21/16/824632116.db2.gz VJTRHGGVBJHIQV-NOZJJQNGSA-N 1 3 278.360 -0.387 20 0 CBADHO COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218760229 824635068 /nfs/dbraw/zinc/63/50/68/824635068.db2.gz VJZNDISYVXPHFY-SECBINFHSA-N 1 3 292.339 -0.154 20 0 CBADHO O=C(Nc1ncccc1CCO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218792861 824638428 /nfs/dbraw/zinc/63/84/28/824638428.db2.gz QDPJXTLICBQQHN-IUODEOHRSA-N 1 3 290.367 -0.246 20 0 CBADHO N[C@H](C(=O)Nc1ncccc1CCO)C1CC[NH2+]CC1 ZINC001218791715 824638566 /nfs/dbraw/zinc/63/85/66/824638566.db2.gz CFNAAKWVVKEDTC-LBPRGKRZSA-N 1 3 278.356 -0.118 20 0 CBADHO N[C@@H](C(=O)Nc1c[nH]ccc1=O)C1CC[NH2+]CC1 ZINC001218791417 824639272 /nfs/dbraw/zinc/63/92/72/824639272.db2.gz IMJDLZJVLMXFPK-LLVKDONJSA-N 1 3 250.302 -0.360 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816848 824641223 /nfs/dbraw/zinc/64/12/23/824641223.db2.gz LNYSDVNAQUNZLE-NSHDSACASA-N 1 3 292.339 -0.187 20 0 CBADHO Nc1ccc(OCCO)c(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001218919327 824647348 /nfs/dbraw/zinc/64/73/48/824647348.db2.gz NBPOOPVZPSIMSS-SNVBAGLBSA-N 1 3 282.344 -0.355 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]CCN1 ZINC001219027921 824652720 /nfs/dbraw/zinc/65/27/20/824652720.db2.gz IHZKDGHZTAXNHD-GFCCVEGCSA-N 1 3 276.340 -0.332 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]C[C@H]1O ZINC001219027941 824652725 /nfs/dbraw/zinc/65/27/25/824652725.db2.gz IWAZLYCCZMMDFN-NWDGAFQWSA-N 1 3 277.324 -0.313 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219027940 824652914 /nfs/dbraw/zinc/65/29/14/824652914.db2.gz IWAZLYCCZMMDFN-NEPJUHHUSA-N 1 3 277.324 -0.313 20 0 CBADHO NC[C@H](N)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280895 824683685 /nfs/dbraw/zinc/68/36/85/824683685.db2.gz QEFAXXXPZXEHFE-NSHDSACASA-N 1 3 295.362 -0.221 20 0 CBADHO [NH3+]Cc1ccc(NC(=O)[C@@H]2COC3(CNC3)CN2)cc1 ZINC001219345638 824694740 /nfs/dbraw/zinc/69/47/40/824694740.db2.gz YLFHMVFCPPVNAU-LBPRGKRZSA-N 1 3 276.340 -0.586 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[NH+](C)C ZINC001219553731 824726506 /nfs/dbraw/zinc/72/65/06/824726506.db2.gz IZSSALGOXYNODQ-ONGXEEELSA-N 1 3 258.366 -0.846 20 0 CBADHO Cc1cccnc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219563701 824731331 /nfs/dbraw/zinc/73/13/31/824731331.db2.gz IMLRCLKYOQKCJX-NSHDSACASA-N 1 3 260.341 -0.185 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCn1ccnn1 ZINC001219565698 824732850 /nfs/dbraw/zinc/73/28/50/824732850.db2.gz MFKNQGBEPWEMKG-LBPRGKRZSA-N 1 3 282.392 -0.110 20 0 CBADHO Cc1cnc(CCNC(=O)[C@@H](N)CCCC[NH3+])nc1 ZINC001219601709 824741922 /nfs/dbraw/zinc/74/19/22/824741922.db2.gz XKYJTICOBFITHN-NSHDSACASA-N 1 3 265.361 -0.100 20 0 CBADHO CC(C)C[C@H](CO)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219631039 824865373 /nfs/dbraw/zinc/86/53/73/824865373.db2.gz QAXMSBORVDMZDS-VXGBXAGGSA-N 1 3 257.378 -0.164 20 0 CBADHO Cc1cc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)no1 ZINC001219604322 824850689 /nfs/dbraw/zinc/85/06/89/824850689.db2.gz MQGYKPSOTDGYIR-JTQLQIEISA-N 1 3 250.302 -0.592 20 0 CBADHO N[C@@H](C(=O)NC[C@@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603669 824851318 /nfs/dbraw/zinc/85/13/18/824851318.db2.gz CMMAWIDFYLICHH-ZYHUDNBSSA-N 1 3 267.329 -0.244 20 0 CBADHO CC(C)C[C@H](CO)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001219630886 824865086 /nfs/dbraw/zinc/86/50/86/824865086.db2.gz MGBOAGBZFSEWLC-ZJUUUORDSA-N 1 3 263.407 -0.471 20 0 CBADHO C[C@H]1OCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219633781 824867378 /nfs/dbraw/zinc/86/73/78/824867378.db2.gz DWGVXMZNHWNCDX-OUAUKWLOSA-N 1 3 253.346 -0.663 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001219638893 824868144 /nfs/dbraw/zinc/86/81/44/824868144.db2.gz RIPOGFZQGXMQEV-NHCYSSNCSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001219638893 824868154 /nfs/dbraw/zinc/86/81/54/824868154.db2.gz RIPOGFZQGXMQEV-NHCYSSNCSA-N 1 3 265.361 -0.359 20 0 CBADHO Cn1cnc(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219634262 824868507 /nfs/dbraw/zinc/86/85/07/824868507.db2.gz QVAASLVQSJPMFK-GFCCVEGCSA-N 1 3 265.361 -0.594 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636033 824868774 /nfs/dbraw/zinc/86/87/74/824868774.db2.gz UWCRKMRSHDMKKX-OYNCUSHFSA-N 1 3 255.297 -0.904 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001219640871 824869692 /nfs/dbraw/zinc/86/96/92/824869692.db2.gz CMIUTWXUVXLVAZ-GVXVVHGQSA-N 1 3 279.388 -0.348 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219641930 824869768 /nfs/dbraw/zinc/86/97/68/824869768.db2.gz MZJJBTTYQHWYNH-HBNTYKKESA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCC3(CNC3)O2)C1 ZINC001219642785 824872213 /nfs/dbraw/zinc/87/22/13/824872213.db2.gz XTEAFEGDZMISEY-SDDRHHMPSA-N 1 3 267.373 -0.131 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2(O)CCN(C)CC2)C1 ZINC001219646393 824873419 /nfs/dbraw/zinc/87/34/19/824873419.db2.gz SJSQOIRNASRBKY-RYUDHWBXSA-N 1 3 269.389 -0.195 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650983 824873720 /nfs/dbraw/zinc/87/37/20/824873720.db2.gz SEXOSVBUICOMMT-MNXVOIDGSA-N 1 3 298.431 -0.162 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651888 824875007 /nfs/dbraw/zinc/87/50/07/824875007.db2.gz YSWRDHNVPSCYLV-UBHSHLNASA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)Cc2cncn2C)C[NH2+]1 ZINC001219683768 824878542 /nfs/dbraw/zinc/87/85/42/824878542.db2.gz DRLQHSONASUYKT-FOGDFJRCSA-N 1 3 265.361 -0.596 20 0 CBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001219676742 824878960 /nfs/dbraw/zinc/87/89/60/824878960.db2.gz VJQZMQMWEHAQCC-VIFPVBQESA-N 1 3 297.359 -0.341 20 0 CBADHO CN(C(=O)CCNC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001219693105 824881218 /nfs/dbraw/zinc/88/12/18/824881218.db2.gz NRBPXTBCFPXWSZ-CYBMUJFWSA-N 1 3 282.388 -0.560 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719977 824886856 /nfs/dbraw/zinc/88/68/56/824886856.db2.gz CAZNPBCYWMHYDV-LPEHRKFASA-N 1 3 287.360 -0.852 20 0 CBADHO NC(C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C(F)(F)F ZINC001219736971 824888056 /nfs/dbraw/zinc/88/80/56/824888056.db2.gz LTNLAROABOKIHI-BQBZGAKWSA-N 1 3 267.251 -0.629 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737268 824888189 /nfs/dbraw/zinc/88/81/89/824888189.db2.gz RRNIPGILGCEECE-RYUDHWBXSA-N 1 3 267.373 -0.001 20 0 CBADHO CN[C@@H](CCCC[NH3+])C(=O)n1cc(F)c(=O)nc1N ZINC001219741952 824889353 /nfs/dbraw/zinc/88/93/53/824889353.db2.gz YSSBHEZUBQGAPC-QMMMGPOBSA-N 1 3 271.296 -0.436 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769147 824892189 /nfs/dbraw/zinc/89/21/89/824892189.db2.gz SZSPKNZKMJVJAJ-AJGILNDKSA-N 1 3 279.381 -0.710 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779698 824894424 /nfs/dbraw/zinc/89/44/24/824894424.db2.gz LHMSLILYCRHJLE-LBPRGKRZSA-N 1 3 266.389 -0.462 20 0 CBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[C@@H](F)CCN1 ZINC001219831829 824900615 /nfs/dbraw/zinc/90/06/15/824900615.db2.gz ZQKGCXQUXZMOTM-LVEVGFFFSA-N 1 3 271.336 -0.430 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847737 824901271 /nfs/dbraw/zinc/90/12/71/824901271.db2.gz QVGIQXKJXUWUJO-AZQAYCESSA-N 1 3 263.288 -0.396 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865310 824905028 /nfs/dbraw/zinc/90/50/28/824905028.db2.gz LPFCTGPVHSKINE-RWMBFGLXSA-N 1 3 295.408 -0.220 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219880449 824908178 /nfs/dbraw/zinc/90/81/78/824908178.db2.gz BCNKFYAAXKZWSA-GXSJLCMTSA-N 1 3 271.361 -0.230 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890124 824910945 /nfs/dbraw/zinc/91/09/45/824910945.db2.gz FJMFNCWPSDCNNX-WDEREUQCSA-N 1 3 278.356 -0.173 20 0 CBADHO CS(=O)(=O)N(C(=O)[C@@H]1CCN1)c1ccc(C[NH3+])cc1 ZINC001219939127 824918805 /nfs/dbraw/zinc/91/88/05/824918805.db2.gz SCMDZCNICMUNQV-NSHDSACASA-N 1 3 283.353 -0.200 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001219951760 824920528 /nfs/dbraw/zinc/92/05/28/824920528.db2.gz AIRWMFLDNHBHSR-JTQLQIEISA-N 1 3 263.345 -0.814 20 0 CBADHO N[C@H](C(=O)NCC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC001219976118 824927749 /nfs/dbraw/zinc/92/77/49/824927749.db2.gz AXOGFPRGZYTLND-ZDUSSCGKSA-N 1 3 282.388 -0.512 20 0 CBADHO O=C(NC1(CO)CCOCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220018586 824935070 /nfs/dbraw/zinc/93/50/70/824935070.db2.gz JRDRQTCVIFOLOK-LBPRGKRZSA-N 1 3 297.399 -0.482 20 0 CBADHO O=C(NC1(CO)CCOCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220018586 824935074 /nfs/dbraw/zinc/93/50/74/824935074.db2.gz JRDRQTCVIFOLOK-LBPRGKRZSA-N 1 3 297.399 -0.482 20 0 CBADHO NC[C@H](N)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020695 824935959 /nfs/dbraw/zinc/93/59/59/824935959.db2.gz RRDOWCRTHNNKBY-LBPRGKRZSA-N 1 3 278.356 -0.971 20 0 CBADHO CC(C)[C@](C)(NC(=O)[C@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220023437 824937836 /nfs/dbraw/zinc/93/78/36/824937836.db2.gz YVCIFDMWFADZDT-MFKMUULPSA-N 1 3 270.377 -0.671 20 0 CBADHO C[NH2+]CCCCNC(=O)[C@@H](N)Cc1cncn1C ZINC001220077638 824950504 /nfs/dbraw/zinc/95/05/04/824950504.db2.gz QXAABFHMHBUCNQ-NSHDSACASA-N 1 3 253.350 -0.594 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCCC[NH2+]C ZINC001220077370 824950694 /nfs/dbraw/zinc/95/06/94/824950694.db2.gz HLIWDUNLEQMAKB-JQWIXIFHSA-N 1 3 272.393 -0.408 20 0 CBADHO N=C(NC(=O)[C@H](N)Cc1c[nH]cn1)SCC[NH3+] ZINC001220106215 824956161 /nfs/dbraw/zinc/95/61/61/824956161.db2.gz FSAGPYJPYXWHKQ-SSDOTTSWSA-N 1 3 256.335 -0.978 20 0 CBADHO CCC(CO)(CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220110057 824956679 /nfs/dbraw/zinc/95/66/79/824956679.db2.gz QAMAMWPVZAFYPO-NSHDSACASA-N 1 3 285.388 -0.890 20 0 CBADHO CCC(CO)(CO)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220110057 824956681 /nfs/dbraw/zinc/95/66/81/824956681.db2.gz QAMAMWPVZAFYPO-NSHDSACASA-N 1 3 285.388 -0.890 20 0 CBADHO N[C@H](C(=O)NC[C@@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113332 824958803 /nfs/dbraw/zinc/95/88/03/824958803.db2.gz QLTAXJGWXGAYLT-KGLIPLIRSA-N 1 3 293.367 -0.131 20 0 CBADHO N[C@@H](C(=O)NC[C@@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113334 824959087 /nfs/dbraw/zinc/95/90/87/824959087.db2.gz QLTAXJGWXGAYLT-ZIAGYGMSSA-N 1 3 293.367 -0.131 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220118051 824959852 /nfs/dbraw/zinc/95/98/52/824959852.db2.gz RPPCCJDTZUKZJK-OCCSQVGLSA-N 1 3 295.383 -0.132 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220141622 824966486 /nfs/dbraw/zinc/96/64/86/824966486.db2.gz ONBYARKEIXVUMU-LLVKDONJSA-N 1 3 291.417 -0.616 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149732 824968724 /nfs/dbraw/zinc/96/87/24/824968724.db2.gz AKIVPZNJJFUUJH-YFKTTZPYSA-N 1 3 284.404 -0.282 20 0 CBADHO O=C(NCc1cn[nH]c1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220148267 824969263 /nfs/dbraw/zinc/96/92/63/824969263.db2.gz SWXNBCSBJCJWLH-LLVKDONJSA-N 1 3 263.345 -0.100 20 0 CBADHO O=C(NCc1cn[nH]c1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220148267 824969268 /nfs/dbraw/zinc/96/92/68/824969268.db2.gz SWXNBCSBJCJWLH-LLVKDONJSA-N 1 3 263.345 -0.100 20 0 CBADHO N[C@@H](Cc1cccc(O)c1)C(=O)NC1(C[NH3+])COC1 ZINC001220154097 824970965 /nfs/dbraw/zinc/97/09/65/824970965.db2.gz KSJWKIWHIWKPIH-NSHDSACASA-N 1 3 265.313 -0.894 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001220156943 824972464 /nfs/dbraw/zinc/97/24/64/824972464.db2.gz RAWGMMGWUZKZNE-FIQHERPVSA-N 1 3 252.362 -0.853 20 0 CBADHO CC(C)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220158665 824973301 /nfs/dbraw/zinc/97/33/01/824973301.db2.gz CYTAEOIZECASBE-BXUZGUMPSA-N 1 3 266.389 -0.606 20 0 CBADHO Cc1ncc(CNC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001220176226 824978087 /nfs/dbraw/zinc/97/80/87/824978087.db2.gz FMBOCLZDCOYLLC-NSHDSACASA-N 1 3 251.334 -0.142 20 0 CBADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cncnc1 ZINC001220183687 824981461 /nfs/dbraw/zinc/98/14/61/824981461.db2.gz XARMDOIKBXOQTI-GXSJLCMTSA-N 1 3 261.329 -0.537 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191149 824982518 /nfs/dbraw/zinc/98/25/18/824982518.db2.gz ALGWRPUAMXZAGN-TUAOUCFPSA-N 1 3 257.378 -0.067 20 0 CBADHO CCOC(=O)CC1(NC(=O)[C@H](N)C2CC[NH2+]CC2)COC1 ZINC001220214569 824987330 /nfs/dbraw/zinc/98/73/30/824987330.db2.gz DFMQVDAVFZWTQF-GFCCVEGCSA-N 1 3 299.371 -0.848 20 0 CBADHO CN1C[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)CC1=O ZINC001220245224 824993014 /nfs/dbraw/zinc/99/30/14/824993014.db2.gz KPAJYIVEDUNEKN-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO O=C(NCCc1cnccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220243266 824993459 /nfs/dbraw/zinc/99/34/59/824993459.db2.gz QPTWKANHGDGWOK-BXUZGUMPSA-N 1 3 275.356 -0.666 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220254740 824996367 /nfs/dbraw/zinc/99/63/67/824996367.db2.gz VWMPQXFKWRFNAA-SNVBAGLBSA-N 1 3 287.408 -0.534 20 0 CBADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308570 825012755 /nfs/dbraw/zinc/01/27/55/825012755.db2.gz LZYMBHOYLWKMCU-JOYOIKCWSA-N 1 3 265.361 -0.076 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316890 825014263 /nfs/dbraw/zinc/01/42/63/825014263.db2.gz UMJBYDSKNMAEMN-DYEKYZERSA-N 1 3 293.371 -0.693 20 0 CBADHO COc1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)nn1 ZINC001220343560 825019988 /nfs/dbraw/zinc/01/99/88/825019988.db2.gz SGKFQLTWGSSIBB-LBPRGKRZSA-N 1 3 279.344 -0.572 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cnccn1 ZINC001220369112 825021788 /nfs/dbraw/zinc/02/17/88/825021788.db2.gz STOWUNDXBIGUGP-IUCAKERBSA-N 1 3 269.374 -0.327 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cnccn1 ZINC001220369084 825021816 /nfs/dbraw/zinc/02/18/16/825021816.db2.gz SMEUISVCSDFPSK-CABZTGNLSA-N 1 3 263.345 -0.019 20 0 CBADHO COC(=O)c1n[nH]cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220373645 825023034 /nfs/dbraw/zinc/02/30/34/825023034.db2.gz VZPJIQDIOSKGIB-VIFPVBQESA-N 1 3 281.316 -0.538 20 0 CBADHO CN1CCOC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220382413 825025824 /nfs/dbraw/zinc/02/58/24/825025824.db2.gz WLIGPKBAEYQGOV-STQMWFEESA-N 1 3 286.420 -0.508 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394907 825027969 /nfs/dbraw/zinc/02/79/69/825027969.db2.gz PWJKJXHLCDVZKJ-WLRWDXFRSA-N 1 3 287.429 -0.316 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001220405726 825031455 /nfs/dbraw/zinc/03/14/55/825031455.db2.gz CKGUWCTYHORSLS-UTUOFQBUSA-N 1 3 283.372 -0.229 20 0 CBADHO CSc1nc(NC(=O)[C@H](N)CCC[NH3+])cc(=O)n1C ZINC001220435205 825038487 /nfs/dbraw/zinc/03/84/87/825038487.db2.gz CRXKFWKPJWCFFJ-SSDOTTSWSA-N 1 3 285.373 -0.493 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC1CCN(CCF)CC1 ZINC001220436458 825039436 /nfs/dbraw/zinc/03/94/36/825039436.db2.gz WJSKBCZWDRYEJC-NSHDSACASA-N 1 3 292.424 -0.444 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)NC2CCN(CCF)CC2)C1 ZINC001220435396 825039656 /nfs/dbraw/zinc/03/96/56/825039656.db2.gz HRFUAORYNMZXHU-KOLCDFICSA-N 1 3 258.341 -0.774 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)NC2CCN(CCF)CC2)C1 ZINC001220435396 825039664 /nfs/dbraw/zinc/03/96/64/825039664.db2.gz HRFUAORYNMZXHU-KOLCDFICSA-N 1 3 258.341 -0.774 20 0 CBADHO COCCOc1ccc(CNC(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001220458602 825043543 /nfs/dbraw/zinc/04/35/43/825043543.db2.gz XADOUOWMBPPEKD-LBPRGKRZSA-N 1 3 296.371 -0.211 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC(=O)Cc1ccccc1 ZINC001220462604 825044970 /nfs/dbraw/zinc/04/49/70/825044970.db2.gz IBFJTXPEKBPGPC-CYBMUJFWSA-N 1 3 263.341 -0.019 20 0 CBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220479245 825046559 /nfs/dbraw/zinc/04/65/59/825046559.db2.gz DUFUCTQBECOFRW-UWVGGRQHSA-N 1 3 289.376 -0.739 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499710 825050187 /nfs/dbraw/zinc/05/01/87/825050187.db2.gz BJCZIIJJXNIXDZ-NEPJUHHUSA-N 1 3 293.371 -0.422 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499724 825051970 /nfs/dbraw/zinc/05/19/70/825051970.db2.gz BTPXYHKRACSNRN-SYTFOFBDSA-N 1 3 283.397 -0.102 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499722 825052196 /nfs/dbraw/zinc/05/21/96/825052196.db2.gz BTPXYHKRACSNRN-AVCJSFLBSA-N 1 3 283.397 -0.102 20 0 CBADHO CCOC(=O)C1=C(NC(=O)C2(N)CC2)CC[NH2+]C1 ZINC001220521763 825055939 /nfs/dbraw/zinc/05/59/39/825055939.db2.gz NTSKFDUQDVFRGN-UHFFFAOYSA-N 1 3 253.302 -0.596 20 0 CBADHO COC(=O)C[C@H](NC(=O)[C@H](N)CCC[NH3+])c1cccnc1 ZINC001220527202 825056127 /nfs/dbraw/zinc/05/61/27/825056127.db2.gz GHYIMMPFAWFWCK-NEPJUHHUSA-N 1 3 294.355 -0.132 20 0 CBADHO C[C@@H]1COCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220565638 825063358 /nfs/dbraw/zinc/06/33/58/825063358.db2.gz OPJQLNYNRCXOBY-NRWUCQMLSA-N 1 3 267.373 -0.273 20 0 CBADHO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220566142 825064176 /nfs/dbraw/zinc/06/41/76/825064176.db2.gz ZXAJXNUVIOGEMQ-VWYCJHECSA-N 1 3 253.346 -0.663 20 0 CBADHO CC(C)(O)CCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220573636 825068784 /nfs/dbraw/zinc/06/87/84/825068784.db2.gz QYTKEPHBEVFSFZ-SNVBAGLBSA-N 1 3 255.362 -0.537 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220583806 825070506 /nfs/dbraw/zinc/07/05/06/825070506.db2.gz ZMZLIGAJFLJIKK-UWVGGRQHSA-N 1 3 275.324 -0.573 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001220588321 825070896 /nfs/dbraw/zinc/07/08/96/825070896.db2.gz SLEIQAXWCIXBHR-RQJHMYQMSA-N 1 3 295.261 -0.985 20 0 CBADHO CC(=O)N1CC(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001220598690 825074002 /nfs/dbraw/zinc/07/40/02/825074002.db2.gz AEXBLLPKPLACBH-ZDUSSCGKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1ncc(F)cn1 ZINC001220599631 825076548 /nfs/dbraw/zinc/07/65/48/825076548.db2.gz YXLKAARVVDTICQ-APPZFPTMSA-N 1 3 287.364 -0.188 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220619473 825077087 /nfs/dbraw/zinc/07/70/87/825077087.db2.gz IFBGSSZZXIHODY-QWRGUYRKSA-N 1 3 262.313 -0.389 20 0 CBADHO O=C(N[C@@H]1NC(=O)c2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220620354 825078210 /nfs/dbraw/zinc/07/82/10/825078210.db2.gz SHASYRIAFPYWPL-NEPJUHHUSA-N 1 3 286.335 -0.646 20 0 CBADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220660211 825081185 /nfs/dbraw/zinc/08/11/85/825081185.db2.gz CIKFDKIZAWEGGH-WOPDTQHZSA-N 1 3 295.383 -0.357 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC1Oc2ccccc2O1 ZINC001220708709 825089697 /nfs/dbraw/zinc/08/96/97/825089697.db2.gz DZFHFAMQIFBUQP-SECBINFHSA-N 1 3 265.313 -0.034 20 0 CBADHO C[C@](CO)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220710993 825091111 /nfs/dbraw/zinc/09/11/11/825091111.db2.gz HXAHNUKAEZSIBR-DZGCQCFKSA-N 1 3 289.379 -0.181 20 0 CBADHO C[C@@H]1COCCN1CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220725235 825092724 /nfs/dbraw/zinc/09/27/24/825092724.db2.gz OQPQMKFAOFXUKC-DGCLKSJQSA-N 1 3 284.404 -0.850 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220756297 825095041 /nfs/dbraw/zinc/09/50/41/825095041.db2.gz AKKSTTPYQAQCQU-CABZTGNLSA-N 1 3 270.377 -0.798 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CNC[C@H](F)C2)C[NH2+]C1 ZINC001220826806 825107195 /nfs/dbraw/zinc/10/71/95/825107195.db2.gz AHQIYZONKNCBMV-DTWKUNHWSA-N 1 3 285.319 -0.529 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220865553 825115785 /nfs/dbraw/zinc/11/57/85/825115785.db2.gz AXLPPHZPWABSQF-ZWNOBZJWSA-N 1 3 274.324 -0.056 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889495 825120960 /nfs/dbraw/zinc/12/09/60/825120960.db2.gz LFTNOOZYDDQCAU-NHCYSSNCSA-N 1 3 270.377 -0.656 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889497 825121382 /nfs/dbraw/zinc/12/13/82/825121382.db2.gz LFTNOOZYDDQCAU-UMNHJUIQSA-N 1 3 270.377 -0.656 20 0 CBADHO C[C@@H](N)C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898707 825122481 /nfs/dbraw/zinc/12/24/81/825122481.db2.gz TUUWWPGZYYXOJY-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220950661 825126841 /nfs/dbraw/zinc/12/68/41/825126841.db2.gz BLUZNXHWOJUOQK-GXSJLCMTSA-N 1 3 295.412 -0.011 20 0 CBADHO N[C@@H](C(=O)NCC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001220992126 825133023 /nfs/dbraw/zinc/13/30/23/825133023.db2.gz FHBFSGBYQFBAQQ-CYBMUJFWSA-N 1 3 289.383 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001221010315 825135298 /nfs/dbraw/zinc/13/52/98/825135298.db2.gz FHMCDGQWZOBABF-UTLUCORTSA-N 1 3 261.391 -0.311 20 0 CBADHO COC[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221012996 825136768 /nfs/dbraw/zinc/13/67/68/825136768.db2.gz GUUSVJGPELKBEM-WDEREUQCSA-N 1 3 253.346 -0.663 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023902 825138612 /nfs/dbraw/zinc/13/86/12/825138612.db2.gz UWYJGZYEOUKEDC-GFCCVEGCSA-N 1 3 265.361 -0.025 20 0 CBADHO COCCOc1nccc(CNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001221158347 825147972 /nfs/dbraw/zinc/14/79/72/825147972.db2.gz ZXWUYBMDFCGWRN-LLVKDONJSA-N 1 3 297.359 -0.816 20 0 CBADHO O=C(NCCc1ccc(CO)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221190739 825151215 /nfs/dbraw/zinc/15/12/15/825151215.db2.gz ZZCNPFUEUZPOBU-AWEZNQCLSA-N 1 3 289.379 -0.353 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221193891 825152904 /nfs/dbraw/zinc/15/29/04/825152904.db2.gz HKUGVDMWICKXQD-MRVPVSSYSA-N 1 3 262.317 -0.360 20 0 CBADHO O=C(NCc1nc2cc[nH]cc-2n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221194266 825152928 /nfs/dbraw/zinc/15/29/28/825152928.db2.gz OUFMFKHJGUZZSJ-VIFPVBQESA-N 1 3 286.339 -0.617 20 0 CBADHO CC(=O)OCN1CCC(NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001221259051 825163979 /nfs/dbraw/zinc/16/39/79/825163979.db2.gz SQNCRWOLLGTAEL-GFCCVEGCSA-N 1 3 286.376 -0.846 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@H]1C[NH2+]CC12CNC2)OCC ZINC001221262510 825164273 /nfs/dbraw/zinc/16/42/73/825164273.db2.gz GWPGBJIQOOBGLF-KMFOOYFMSA-N 1 3 297.355 -0.647 20 0 CBADHO CC[C@H](C)[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)N(C)C ZINC001221278389 825167049 /nfs/dbraw/zinc/16/70/49/825167049.db2.gz QUOZIBXFAVENCR-SRVKXCTJSA-N 1 3 296.415 -0.586 20 0 CBADHO O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1C[NH2+]CC12CNC2 ZINC001221306371 825168438 /nfs/dbraw/zinc/16/84/38/825168438.db2.gz QFCLXFOGQMQVOV-DCAQKATOSA-N 1 3 253.346 -0.927 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221310004 825169929 /nfs/dbraw/zinc/16/99/29/825169929.db2.gz ZYSCEHBPODGDJC-QWRGUYRKSA-N 1 3 276.340 -0.095 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319187 825170908 /nfs/dbraw/zinc/17/09/08/825170908.db2.gz PNTAJLZRMBXDLZ-QMMMGPOBSA-N 1 3 289.792 -0.235 20 0 CBADHO Cc1cnc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(=O)[nH]1 ZINC001221328952 825171917 /nfs/dbraw/zinc/17/19/17/825171917.db2.gz OVIVGKWPZAQVPY-VIFPVBQESA-N 1 3 265.317 -0.656 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221339967 825174611 /nfs/dbraw/zinc/17/46/11/825174611.db2.gz RJVHTFJFFRBGCF-WHOHXGKFSA-N 1 3 255.362 -0.193 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCCC[NH3+] ZINC001221344909 825174738 /nfs/dbraw/zinc/17/47/38/825174738.db2.gz HQTFMTKHAGFYLD-QWRGUYRKSA-N 1 3 272.393 -0.280 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)NC1 ZINC001221392594 825179996 /nfs/dbraw/zinc/17/99/96/825179996.db2.gz YEAAULNPROVYDW-GFCCVEGCSA-N 1 3 280.372 -0.736 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1ccno1 ZINC001221396961 825181103 /nfs/dbraw/zinc/18/11/03/825181103.db2.gz HULMUUOXLAFIFO-YUMQZZPRSA-N 1 3 258.347 -0.129 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001221402287 825182277 /nfs/dbraw/zinc/18/22/77/825182277.db2.gz BWTCLDLZWPETNG-RYUDHWBXSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001221402285 825182575 /nfs/dbraw/zinc/18/25/75/825182575.db2.gz BWTCLDLZWPETNG-NEPJUHHUSA-N 1 3 269.389 -0.053 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001221403118 825183271 /nfs/dbraw/zinc/18/32/71/825183271.db2.gz QRAKHHATUBRHMY-GHMZBOCLSA-N 1 3 255.362 -0.313 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001221403804 825183908 /nfs/dbraw/zinc/18/39/08/825183908.db2.gz YBYWFWRMKOALGH-NSHDSACASA-N 1 3 255.362 -0.299 20 0 CBADHO C[C@H]1CC[NH2+][C@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001221403765 825184562 /nfs/dbraw/zinc/18/45/62/825184562.db2.gz WXCOBWSKIBTRAO-RYUDHWBXSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@]1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCCOC1 ZINC001221403791 825184608 /nfs/dbraw/zinc/18/46/08/825184608.db2.gz XNZURPFAHZFXKY-CMPLNLGQSA-N 1 3 253.346 -0.519 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411871 825187055 /nfs/dbraw/zinc/18/70/55/825187055.db2.gz YHLRHSLWWABMMY-QWHCGFSZSA-N 1 3 277.372 -0.216 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411871 825187058 /nfs/dbraw/zinc/18/70/58/825187058.db2.gz YHLRHSLWWABMMY-QWHCGFSZSA-N 1 3 277.372 -0.216 20 0 CBADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950686 825197905 /nfs/dbraw/zinc/19/79/05/825197905.db2.gz SXXRPHYGMAOGFP-BFHYXJOUSA-N 1 3 299.415 -0.522 20 0 CBADHO C([C@H]1COCCN1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222086006 825199210 /nfs/dbraw/zinc/19/92/10/825199210.db2.gz QTFSWFVUSDUAMQ-LBPRGKRZSA-N 1 3 254.378 -0.998 20 0 CBADHO CC1(C)[NH2+]C[C@@H](CN2CCOC[C@@]3(CNCCO3)C2)O1 ZINC001222186233 825202544 /nfs/dbraw/zinc/20/25/44/825202544.db2.gz AYXMVOBFGQYILI-GXTWGEPZSA-N 1 3 285.388 -0.598 20 0 CBADHO COC(=O)[C@H]1CNCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001222416007 825209780 /nfs/dbraw/zinc/20/97/80/825209780.db2.gz YMAVTOQAJFQAGR-VHSXEESVSA-N 1 3 257.334 -0.842 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CCC1 ZINC001226782794 825290886 /nfs/dbraw/zinc/29/08/86/825290886.db2.gz SBMJZCMMKUQVPR-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO O=C1NCCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C12CNC2 ZINC001235071481 825486487 /nfs/dbraw/zinc/48/64/87/825486487.db2.gz WYTBXFSZXVAIEQ-AWEZNQCLSA-N 1 3 286.379 -0.525 20 0 CBADHO C[C@H]([NH3+])CN1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001235519542 825499486 /nfs/dbraw/zinc/49/94/86/825499486.db2.gz XRDBWWMOTKSYFD-RWMBFGLXSA-N 1 3 277.372 -0.039 20 0 CBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(CCCO)CC2 ZINC001235520774 825501502 /nfs/dbraw/zinc/50/15/02/825501502.db2.gz IHNVBYFRKURFQH-UHFFFAOYSA-N 1 3 296.371 -0.294 20 0 CBADHO CN1C[C@@H]2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1=O ZINC001235601200 825506730 /nfs/dbraw/zinc/50/67/30/825506730.db2.gz LPYDPVNAYLYDKY-VWYCJHECSA-N 1 3 253.346 -0.269 20 0 CBADHO CC1(C)O[C@@H]2O[C@@H](CN3CC(CC[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235918924 825518614 /nfs/dbraw/zinc/51/86/14/825518614.db2.gz PQTXPLLLUQLZIX-USZNOCQGSA-N 1 3 272.345 -0.496 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CCC1CC[NH2+]CC1 ZINC001236051671 825521075 /nfs/dbraw/zinc/52/10/75/825521075.db2.gz OKYCXFLHJAUUAK-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001236052647 825521742 /nfs/dbraw/zinc/52/17/42/825521742.db2.gz CLACUYANGKGZFZ-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CCOC(=O)[C@]12C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]1CNCC2 ZINC001236038121 825521848 /nfs/dbraw/zinc/52/18/48/825521848.db2.gz NUTOSILWDQBNAS-LALPHHSUSA-N 1 3 295.383 -0.260 20 0 CBADHO CCOC(=O)[C@]12C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]1CNCC2 ZINC001236038121 825521850 /nfs/dbraw/zinc/52/18/50/825521850.db2.gz NUTOSILWDQBNAS-LALPHHSUSA-N 1 3 295.383 -0.260 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2n1CCNC2 ZINC001236199780 825524697 /nfs/dbraw/zinc/52/46/97/825524697.db2.gz ZGKGZBVEEDQWJW-MFKMUULPSA-N 1 3 278.356 -0.334 20 0 CBADHO COC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)CNCC2(F)F)C[C@H]1[NH3+] ZINC001236346507 825529532 /nfs/dbraw/zinc/52/95/32/825529532.db2.gz ZNIQXHXFSRVCKW-GWOFURMSSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@H+](C[C@@H]2[C@H](C)CNCC2(F)F)C[C@H]1N ZINC001236346507 825529538 /nfs/dbraw/zinc/52/95/38/825529538.db2.gz ZNIQXHXFSRVCKW-GWOFURMSSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2[C@H](C)CNCC2(F)F)C[C@H]1N ZINC001236346507 825529542 /nfs/dbraw/zinc/52/95/42/825529542.db2.gz ZNIQXHXFSRVCKW-GWOFURMSSA-N 1 3 291.342 -0.091 20 0 CBADHO NCCS(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237599911 825540033 /nfs/dbraw/zinc/54/00/33/825540033.db2.gz WTYVMKFSVYNMHM-UHFFFAOYSA-N 1 3 284.385 -0.203 20 0 CBADHO [NH3+]CCS(=O)(=O)Nc1ccc2c(c1)CNCCO2 ZINC001237719663 825542402 /nfs/dbraw/zinc/54/24/02/825542402.db2.gz VJHVHGOSGDAQRU-UHFFFAOYSA-N 1 3 271.342 -0.131 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001238222208 825549062 /nfs/dbraw/zinc/54/90/62/825549062.db2.gz RKEZTKHQKQCWDK-NSHDSACASA-N 1 3 291.417 -0.587 20 0 CBADHO C=CS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243123 825550428 /nfs/dbraw/zinc/55/04/28/825550428.db2.gz RVXYHHCFDXEHCW-SNVBAGLBSA-N 1 3 259.375 -0.077 20 0 CBADHO C=CS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243123 825550430 /nfs/dbraw/zinc/55/04/30/825550430.db2.gz RVXYHHCFDXEHCW-SNVBAGLBSA-N 1 3 259.375 -0.077 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001238255521 825550840 /nfs/dbraw/zinc/55/08/40/825550840.db2.gz HJDZTYFXYGFCBB-SNVBAGLBSA-N 1 3 277.390 -0.834 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CSCCN1 ZINC001238753810 825562976 /nfs/dbraw/zinc/56/29/76/825562976.db2.gz YXNMXVDULXXFRS-LLVKDONJSA-N 1 3 293.458 -0.390 20 0 CBADHO NCCS(=O)(=O)NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001238857916 825567449 /nfs/dbraw/zinc/56/74/49/825567449.db2.gz XFPJCXQWTIOOII-UHFFFAOYSA-N 1 3 298.412 -0.419 20 0 CBADHO NCCS(=O)(=O)NC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001238846726 825568321 /nfs/dbraw/zinc/56/83/21/825568321.db2.gz YVCWOQNNWVHCRB-UHFFFAOYSA-N 1 3 298.412 -0.376 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001239007036 825582667 /nfs/dbraw/zinc/58/26/67/825582667.db2.gz ZZCYMIGIXQUPNZ-LLVKDONJSA-N 1 3 261.391 -0.117 20 0 CBADHO NCCS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001239049879 825584182 /nfs/dbraw/zinc/58/41/82/825584182.db2.gz KOXIXDROWQDHDM-YUMQZZPRSA-N 1 3 287.307 -0.641 20 0 CBADHO NCCS(=O)(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001239046247 825583973 /nfs/dbraw/zinc/58/39/73/825583973.db2.gz KAENNJYXKROCFI-NSHDSACASA-N 1 3 261.391 -0.117 20 0 CBADHO NCCS(=O)(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001239073421 825585392 /nfs/dbraw/zinc/58/53/92/825585392.db2.gz MZEIUKSFQVVMCV-BDAKNGLRSA-N 1 3 265.354 -0.716 20 0 CBADHO CCC[NH+]1C[C@@H]2CN(S(=O)(=O)CCN)C[C@H]2C1 ZINC001239133719 825593059 /nfs/dbraw/zinc/59/30/59/825593059.db2.gz SVVUNTOTWFKUPM-GHMZBOCLSA-N 1 3 261.391 -0.452 20 0 CBADHO Cc1c[nH+]ccc1N1CCN(S(=O)(=O)CCN)CC1 ZINC001239154069 825595241 /nfs/dbraw/zinc/59/52/41/825595241.db2.gz VJFNMNKPCNHWPP-UHFFFAOYSA-N 1 3 284.385 -0.199 20 0 CBADHO [NH3+][C@@H]1CN(C(=S)NCCN2CCCCC2)CC[C@H]1O ZINC001239413486 825603606 /nfs/dbraw/zinc/60/36/06/825603606.db2.gz UXVCPBMPHPMMHT-VXGBXAGGSA-N 1 3 286.445 -0.259 20 0 CBADHO [NH3+]C[C@H]1CN(C(=S)NCCN2CCCCC2)C[C@H]1O ZINC001239415065 825603960 /nfs/dbraw/zinc/60/39/60/825603960.db2.gz IGRFANPYOAFZDF-NWDGAFQWSA-N 1 3 286.445 -0.402 20 0 CBADHO NCc1cc(-c2cnc(N3CC[NH2+]CC3)nc2)ncn1 ZINC001241895008 825609106 /nfs/dbraw/zinc/60/91/06/825609106.db2.gz LZGCFWGHITTZJS-UHFFFAOYSA-N 1 3 271.328 -0.198 20 0 CBADHO CC(C)OC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245972980 825616716 /nfs/dbraw/zinc/61/67/16/825616716.db2.gz IYJDUMGLXQVWCE-SDDRHHMPSA-N 1 3 264.341 -0.576 20 0 CBADHO C[C@@]1([NH3+])CCCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021617 825624260 /nfs/dbraw/zinc/62/42/60/825624260.db2.gz ODDNPPDPZAMAHY-ZIAGYGMSSA-N 1 3 271.405 -0.117 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086246 825634834 /nfs/dbraw/zinc/63/48/34/825634834.db2.gz ZMCGDDBZFURAFW-HNCHTBHHSA-N 1 3 274.336 -0.020 20 0 CBADHO O[C@@]1(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CCNC[C@@H]1F ZINC001246088032 825634912 /nfs/dbraw/zinc/63/49/12/825634912.db2.gz HPWYDNSWLXEJGK-ZDEQEGDKSA-N 1 3 298.366 -0.191 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@H]2C[NH2+][C@H](C)C2)CN1 ZINC001246100287 825636356 /nfs/dbraw/zinc/63/63/56/825636356.db2.gz MMPCKPQOFFNRIW-WYUUTHIRSA-N 1 3 255.362 -0.132 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246149702 825642077 /nfs/dbraw/zinc/64/20/77/825642077.db2.gz DYAYVGAVVBVKQR-ZPFDUUQYSA-N 1 3 269.345 -1.000 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166433 825644656 /nfs/dbraw/zinc/64/46/56/825644656.db2.gz AEXKASPZAFKHQA-SRVKXCTJSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@@]2(C)CC[NH2+]C2)CN1 ZINC001246216453 825651892 /nfs/dbraw/zinc/65/18/92/825651892.db2.gz JZACFHBEXFEQOA-MDZLAQPJSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NCCN2CC[NH+](C(C)C)CC2)CN1 ZINC001246236624 825654055 /nfs/dbraw/zinc/65/40/55/825654055.db2.gz NFSDBTGYFKRSNP-KGLIPLIRSA-N 1 3 298.431 -0.495 20 0 CBADHO COC(=O)[C@@H]1CCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246247124 825655269 /nfs/dbraw/zinc/65/52/69/825655269.db2.gz WOYZUGRNFMNWDO-QWRGUYRKSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@@H]1C[C@H](NCCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254448 825656150 /nfs/dbraw/zinc/65/61/50/825656150.db2.gz HNBRPWHRODUEHD-CHWSQXEVSA-N 1 3 268.405 -0.119 20 0 CBADHO COc1nccc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246259351 825656370 /nfs/dbraw/zinc/65/63/70/825656370.db2.gz OBPYRLPJZHRXGQ-SNVBAGLBSA-N 1 3 263.345 -0.331 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368462 825669366 /nfs/dbraw/zinc/66/93/66/825669366.db2.gz CKFNQOLEURCSGF-BZPMIXESSA-N 1 3 296.415 -0.694 20 0 CBADHO COCCn1cnc(CN[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246384911 825670200 /nfs/dbraw/zinc/67/02/00/825670200.db2.gz MPWBVANULGWBES-LBPRGKRZSA-N 1 3 279.388 -0.287 20 0 CBADHO COC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)N2 ZINC001246400130 825670656 /nfs/dbraw/zinc/67/06/56/825670656.db2.gz CSZDRLOWMOYIRN-YATPEIPISA-N 1 3 271.361 -0.624 20 0 CBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCCNCC[NH3+])CN1 ZINC001246407282 825671845 /nfs/dbraw/zinc/67/18/45/825671845.db2.gz YENJJPWCAOJNOH-MNOVXSKESA-N 1 3 272.393 -0.804 20 0 CBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCCNCC[NH3+])CN1 ZINC001246407285 825671866 /nfs/dbraw/zinc/67/18/66/825671866.db2.gz YENJJPWCAOJNOH-QWRGUYRKSA-N 1 3 272.393 -0.804 20 0 CBADHO CC[C@@H](N[C@@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519627 825680158 /nfs/dbraw/zinc/68/01/58/825680158.db2.gz SWUIWFPGVLYJAS-UTUOFQBUSA-N 1 3 255.362 -0.132 20 0 CBADHO CC[C@H](N[C@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519621 825680400 /nfs/dbraw/zinc/68/04/00/825680400.db2.gz SWUIWFPGVLYJAS-SRVKXCTJSA-N 1 3 255.362 -0.132 20 0 CBADHO COC(=O)[C@H](N)Cc1cn([C@@H]2CC[NH2+]C3(CNC3)C2)cn1 ZINC001246526584 825681453 /nfs/dbraw/zinc/68/14/53/825681453.db2.gz VKENXODLKHDHHH-VXGBXAGGSA-N 1 3 293.371 -0.808 20 0 CBADHO N[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1F ZINC001246527183 825681915 /nfs/dbraw/zinc/68/19/15/825681915.db2.gz SPRDEXQAWNSXIQ-ZNSHCXBVSA-N 1 3 288.392 -0.769 20 0 CBADHO C[C@@]1(O)CCN([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246577052 825688828 /nfs/dbraw/zinc/68/88/28/825688828.db2.gz QIKUHJPWQVDQNK-SDDRHHMPSA-N 1 3 257.353 -0.125 20 0 CBADHO COC(=O)N1CCC(N2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579355 825688856 /nfs/dbraw/zinc/68/88/56/825688856.db2.gz IPYRGGNADSJJKM-GXSJLCMTSA-N 1 3 257.334 -0.531 20 0 CBADHO N[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585935 825690568 /nfs/dbraw/zinc/69/05/68/825690568.db2.gz YTBNAHXCCUHKIH-UWVGGRQHSA-N 1 3 260.332 -0.251 20 0 CBADHO CCN(CC)C(=O)C[C@H](C)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581221 825691479 /nfs/dbraw/zinc/69/14/79/825691479.db2.gz RMOLEUWBMQXPBJ-SDDRHHMPSA-N 1 3 257.378 -0.115 20 0 CBADHO [NH3+]C[C@H]1CN(C2CCN(C(=O)C(F)(F)F)CC2)C[C@H]1O ZINC001246589309 825692114 /nfs/dbraw/zinc/69/21/14/825692114.db2.gz ZNCPQRVBCULMBB-WCBMZHEXSA-N 1 3 295.305 -0.209 20 0 CBADHO CCOC(=O)[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246590795 825692789 /nfs/dbraw/zinc/69/27/89/825692789.db2.gz AGMRMPVFEJKYDV-RYUDHWBXSA-N 1 3 295.383 -0.466 20 0 CBADHO C1C[C@H]2CC(N3CCOC[C@]4(CNCCO4)C3)C[C@@H]1[NH2+]2 ZINC001246602975 825693683 /nfs/dbraw/zinc/69/36/83/825693683.db2.gz KXUXGEUQVQWYDA-IXXDHKBRSA-N 1 3 281.400 -0.040 20 0 CBADHO C[C@@H]1CC[C@@H](N2CCOC[C@@]3(CNCCO3)C2)C[NH2+]1 ZINC001246599337 825693924 /nfs/dbraw/zinc/69/39/24/825693924.db2.gz CHTSCUAAMKNDNY-MGPQQGTHSA-N 1 3 269.389 -0.182 20 0 CBADHO C1C[C@H]2CC(N3CCOC[C@@]4(CNCCO4)C3)C[C@@H]1[NH2+]2 ZINC001246602976 825694066 /nfs/dbraw/zinc/69/40/66/825694066.db2.gz KXUXGEUQVQWYDA-IZGVIRRGSA-N 1 3 281.400 -0.040 20 0 CBADHO C[C@@H]1C[C@H](N2CCOC[C@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246598507 825694216 /nfs/dbraw/zinc/69/42/16/825694216.db2.gz AUMFCLWQHOAAMR-MCIONIFRSA-N 1 3 269.389 -0.182 20 0 CBADHO C[C@@H]1CC[C@H](N2CCOC[C@@]3(CNCCO3)C2)C[NH2+]1 ZINC001246599334 825694377 /nfs/dbraw/zinc/69/43/77/825694377.db2.gz CHTSCUAAMKNDNY-HZSPNIEDSA-N 1 3 269.389 -0.182 20 0 CBADHO O=C1NCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CNC2 ZINC001246637985 825699175 /nfs/dbraw/zinc/69/91/75/825699175.db2.gz RAVICXBFJYRSIT-ZACCUICWSA-N 1 3 250.346 -0.957 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246636658 825699457 /nfs/dbraw/zinc/69/94/57/825699457.db2.gz VWKDEUFWULBDIX-ZOBORPQBSA-N 1 3 297.399 -0.410 20 0 CBADHO COCCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246683069 825706724 /nfs/dbraw/zinc/70/67/24/825706724.db2.gz YJSGZAWVFCNMRS-ZDUSSCGKSA-N 1 3 268.405 -0.656 20 0 CBADHO COCCN1C[C@@H]2CN([C@@H]3CCC[NH2+]C3)C[C@@H]2C1=O ZINC001246755301 825709499 /nfs/dbraw/zinc/70/94/99/825709499.db2.gz KKJBETVKCBEXJJ-UPJWGTAASA-N 1 3 267.373 -0.225 20 0 CBADHO C[NH+]1CCC2(CN(C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC001251020070 825763685 /nfs/dbraw/zinc/76/36/85/825763685.db2.gz CNSADHKBGSKSIM-AWEZNQCLSA-N 1 3 283.416 -0.293 20 0 CBADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](O)CN1CCOCC1)C2 ZINC001251035841 825767893 /nfs/dbraw/zinc/76/78/93/825767893.db2.gz PKKVMDMJUCIHFQ-XGUBFFRZSA-N 1 3 283.416 -0.106 20 0 CBADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](O)CN1CCOCC1)C2 ZINC001251035841 825767897 /nfs/dbraw/zinc/76/78/97/825767897.db2.gz PKKVMDMJUCIHFQ-XGUBFFRZSA-N 1 3 283.416 -0.106 20 0 CBADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C2 ZINC001251035841 825767901 /nfs/dbraw/zinc/76/79/01/825767901.db2.gz PKKVMDMJUCIHFQ-XGUBFFRZSA-N 1 3 283.416 -0.106 20 0 CBADHO C[NH+](C)CCC(C)(C)NC[C@@H](O)CN1CCOCC1 ZINC001251039098 825769945 /nfs/dbraw/zinc/76/99/45/825769945.db2.gz BZCUMOJSXKTNJX-CYBMUJFWSA-N 1 3 273.421 -0.001 20 0 CBADHO CN(CCO)CCC[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713574 825928651 /nfs/dbraw/zinc/92/86/51/825928651.db2.gz FTMZGQFHHPJZDH-NSHDSACASA-N 1 3 276.377 -0.407 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001253175359 825902119 /nfs/dbraw/zinc/90/21/19/825902119.db2.gz JCKBREMDNPETIU-NSHDSACASA-N 1 3 258.366 -0.696 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CN(C)CCN1CCN(C)CC1 ZINC001253187246 825902798 /nfs/dbraw/zinc/90/27/98/825902798.db2.gz CGLUGVLDBYFRPL-HNNXBMFYSA-N 1 3 286.464 -0.132 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@H]1CCCC(=O)N1 ZINC001253216211 825906957 /nfs/dbraw/zinc/90/69/57/825906957.db2.gz KRXQNIDZFIIILI-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO CCOC(=O)C[C@H](O)CNC1CC[NH+](CCO)CC1 ZINC001253809054 825932013 /nfs/dbraw/zinc/93/20/13/825932013.db2.gz QWDNICHGMUYHPN-LBPRGKRZSA-N 1 3 274.361 -0.653 20 0 CBADHO CN([C@H]1CC2CCN(CC2)C1)S(=O)(=O)CC[NH3+] ZINC001254835735 825970300 /nfs/dbraw/zinc/97/03/00/825970300.db2.gz IUERBIJQCNDLTQ-NSHDSACASA-N 1 3 261.391 -0.309 20 0 CBADHO CC(C)(C)N1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001256561487 826026105 /nfs/dbraw/zinc/02/61/05/826026105.db2.gz IBYMDCYMPHPLKW-ZRJCITRHSA-N 1 3 286.416 -0.059 20 0 CBADHO O=C1CO[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)CN1 ZINC001256681730 826029769 /nfs/dbraw/zinc/02/97/69/826029769.db2.gz AMBQGQRIDAPVHV-RUXDESIVSA-N 1 3 297.399 -0.266 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)NCCN(C)CCOC ZINC001261376640 826509245 /nfs/dbraw/zinc/50/92/45/826509245.db2.gz UVRYHDRDPJXNGL-NSHDSACASA-N 1 3 260.382 -0.138 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC001261501678 826527964 /nfs/dbraw/zinc/52/79/64/826527964.db2.gz JRLFHPJZVRWYRL-CYBMUJFWSA-N 1 3 268.405 -0.179 20 0 CBADHO [NH3+]CCCOCCN[C@H]1CCCS(=O)(=O)C1 ZINC001261836704 826594617 /nfs/dbraw/zinc/59/46/17/826594617.db2.gz JNTLTZWDYQHTRW-JTQLQIEISA-N 1 3 250.364 -0.481 20 0 CBADHO [NH3+]Cc1nccnc1N1CCN(CCCCO)CC1 ZINC001262684086 826723375 /nfs/dbraw/zinc/72/33/75/826723375.db2.gz JAVVSUAABIIAJF-UHFFFAOYSA-N 1 3 265.361 -0.170 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CCN1 ZINC001263067515 826731926 /nfs/dbraw/zinc/73/19/26/826731926.db2.gz OXZLIIKHUYWIRP-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001263114348 826740298 /nfs/dbraw/zinc/74/02/98/826740298.db2.gz LMIZAUGAUAEFDD-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001263114347 826740524 /nfs/dbraw/zinc/74/05/24/826740524.db2.gz LMIZAUGAUAEFDD-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001263212658 826754166 /nfs/dbraw/zinc/75/41/66/826754166.db2.gz ZKOKBVTUIXFTMC-GMSGAONNSA-N 1 3 251.277 -0.719 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001263322145 826764028 /nfs/dbraw/zinc/76/40/28/826764028.db2.gz FNDJOPZRTWSVGR-JTQLQIEISA-N 1 3 265.361 -0.002 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001264441002 826811728 /nfs/dbraw/zinc/81/17/28/826811728.db2.gz UIQZMBJEXMIXFE-HAQNSBGRSA-N 1 3 257.378 -0.197 20 0 CBADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCO)C2CC2)CCC1 ZINC001265358541 826883485 /nfs/dbraw/zinc/88/34/85/826883485.db2.gz LKVNYVQNWPRGNU-LBPRGKRZSA-N 1 3 269.389 -0.053 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001265852565 826930159 /nfs/dbraw/zinc/93/01/59/826930159.db2.gz FVYHGDLXTFBUIH-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001266018294 826947719 /nfs/dbraw/zinc/94/77/19/826947719.db2.gz NVQKRFCOCZBQBL-QWRGUYRKSA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266275167 826969420 /nfs/dbraw/zinc/96/94/20/826969420.db2.gz PIFMHBHKZLBOEH-AAEUAGOBSA-N 1 3 269.389 -0.243 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)N(C)C ZINC001266725624 827057838 /nfs/dbraw/zinc/05/78/38/827057838.db2.gz NOOKHXMVPGQULS-GRYCIOLGSA-N 1 3 257.378 -0.198 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001266836769 827074994 /nfs/dbraw/zinc/07/49/94/827074994.db2.gz XLPCKPPUAHQWAD-MNOVXSKESA-N 1 3 298.387 -0.820 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266979252 827101992 /nfs/dbraw/zinc/10/19/92/827101992.db2.gz AWTBBKWHKSBXSI-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266979252 827101995 /nfs/dbraw/zinc/10/19/95/827101995.db2.gz AWTBBKWHKSBXSI-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001267023349 827108342 /nfs/dbraw/zinc/10/83/42/827108342.db2.gz WVAJZDQJMGRSTP-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072239 827112564 /nfs/dbraw/zinc/11/25/64/827112564.db2.gz WLTZFZWZOWTUJP-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072239 827112568 /nfs/dbraw/zinc/11/25/68/827112568.db2.gz WLTZFZWZOWTUJP-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)N(C)C ZINC001267136448 827116723 /nfs/dbraw/zinc/11/67/23/827116723.db2.gz WKOSHEYFKNQZBG-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)N(C)C ZINC001267136449 827117425 /nfs/dbraw/zinc/11/74/25/827117425.db2.gz WKOSHEYFKNQZBG-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](C(=O)NCC[N@H+](CCO)C1CC1)N(C)C ZINC001267332870 827150302 /nfs/dbraw/zinc/15/03/02/827150302.db2.gz LVDRROOTNKSZOC-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(=O)NCC[N@@H+](CCO)C1CC1)N(C)C ZINC001267332870 827150304 /nfs/dbraw/zinc/15/03/04/827150304.db2.gz LVDRROOTNKSZOC-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001267354877 827156195 /nfs/dbraw/zinc/15/61/95/827156195.db2.gz AUPBPBQMJPMRQM-QWRGUYRKSA-N 1 3 268.361 -0.983 20 0 CBADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469584 827175168 /nfs/dbraw/zinc/17/51/68/827175168.db2.gz NBRSDVFHHRCDGJ-LBPRGKRZSA-N 1 3 279.388 -0.080 20 0 CBADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469584 827175172 /nfs/dbraw/zinc/17/51/72/827175172.db2.gz NBRSDVFHHRCDGJ-LBPRGKRZSA-N 1 3 279.388 -0.080 20 0 CBADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469583 827175412 /nfs/dbraw/zinc/17/54/12/827175412.db2.gz NBRSDVFHHRCDGJ-GFCCVEGCSA-N 1 3 279.388 -0.080 20 0 CBADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469583 827175417 /nfs/dbraw/zinc/17/54/17/827175417.db2.gz NBRSDVFHHRCDGJ-GFCCVEGCSA-N 1 3 279.388 -0.080 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001267732803 827210000 /nfs/dbraw/zinc/21/00/00/827210000.db2.gz OYBQWCVNLUJYOD-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001267732803 827209991 /nfs/dbraw/zinc/20/99/91/827209991.db2.gz OYBQWCVNLUJYOD-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584262 827370634 /nfs/dbraw/zinc/37/06/34/827370634.db2.gz XXVPNBFHXFDAEZ-BJBSMMKKSA-N 1 3 296.415 -0.148 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584262 827370643 /nfs/dbraw/zinc/37/06/43/827370643.db2.gz XXVPNBFHXFDAEZ-BJBSMMKKSA-N 1 3 296.415 -0.148 20 0 CBADHO CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001268579981 827370814 /nfs/dbraw/zinc/37/08/14/827370814.db2.gz UTFGTWXRSJWXBH-IBPBTGAJSA-N 1 3 296.415 -0.003 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001268590904 827373964 /nfs/dbraw/zinc/37/39/64/827373964.db2.gz KRKLVGFRYYTPHU-QAVQXKDTSA-N 1 3 255.362 -0.418 20 0 CBADHO CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001268799213 827423453 /nfs/dbraw/zinc/42/34/53/827423453.db2.gz VFVDAZGINDTNFT-ZDUSSCGKSA-N 1 3 286.420 -0.243 20 0 CBADHO CN(CCCNCc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945662 827443329 /nfs/dbraw/zinc/44/33/29/827443329.db2.gz GRNAZDZXNXAXFH-GFCCVEGCSA-N 1 3 294.403 -0.295 20 0 CBADHO CN(CCCNCc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945662 827443332 /nfs/dbraw/zinc/44/33/32/827443332.db2.gz GRNAZDZXNXAXFH-GFCCVEGCSA-N 1 3 294.403 -0.295 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCO ZINC001269472127 827512884 /nfs/dbraw/zinc/51/28/84/827512884.db2.gz VSULKBZFCOMGKC-NEPJUHHUSA-N 1 3 257.378 -0.195 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CCO)N(C)C ZINC001270568959 827579203 /nfs/dbraw/zinc/57/92/03/827579203.db2.gz QGEYECCNQMPFMF-NEPJUHHUSA-N 1 3 259.394 -0.093 20 0 CBADHO CCOCCN1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271185401 827675233 /nfs/dbraw/zinc/67/52/33/827675233.db2.gz YDVXRSJLWKUSOF-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO CCN(CC[NH2+]CCO)C(=O)CN(C)C1CCC1 ZINC001273419789 827900509 /nfs/dbraw/zinc/90/05/09/827900509.db2.gz GVUFNOUNUCBCOE-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO COCCN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273506027 827905359 /nfs/dbraw/zinc/90/53/59/827905359.db2.gz KUPPLDWGEJPDML-OAHLLOKOSA-N 1 3 299.415 -0.255 20 0 CBADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001274020615 827953978 /nfs/dbraw/zinc/95/39/78/827953978.db2.gz DKQMFHJNBAFUGH-UHFFFAOYSA-N 1 3 287.404 -0.426 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H]1CCNC1=O)[NH+](C)C ZINC001274339527 827984119 /nfs/dbraw/zinc/98/41/19/827984119.db2.gz OCIFMZYHGLYZFL-JQSFKPKSSA-N 1 3 296.415 -0.277 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CN[C@H]2CCNC2=O)C1 ZINC001274367975 827985405 /nfs/dbraw/zinc/98/54/05/827985405.db2.gz IAGTZOJRXUQBDW-XDYXTIEYSA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CN[C@H]2CCNC2=O)C1 ZINC001274367975 827985411 /nfs/dbraw/zinc/98/54/11/827985411.db2.gz IAGTZOJRXUQBDW-XDYXTIEYSA-N 1 3 294.399 -0.521 20 0 CBADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H](C)O)N(C)C ZINC001274512527 827996491 /nfs/dbraw/zinc/99/64/91/827996491.db2.gz ZUTCERPDOVZASN-FNSAGKMKSA-N 1 3 257.378 -0.031 20 0 CBADHO COC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274643342 828017329 /nfs/dbraw/zinc/01/73/29/828017329.db2.gz OIKWDQQBRJAEJO-ZFWWWQNUSA-N 1 3 299.415 -0.520 20 0 CBADHO COC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274643342 828017341 /nfs/dbraw/zinc/01/73/41/828017341.db2.gz OIKWDQQBRJAEJO-ZFWWWQNUSA-N 1 3 299.415 -0.520 20 0 CBADHO COCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274939835 828044573 /nfs/dbraw/zinc/04/45/73/828044573.db2.gz QOCXTRKHDPXDBZ-OKILXGFUSA-N 1 3 271.405 -0.031 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCCO ZINC001275422656 828086489 /nfs/dbraw/zinc/08/64/89/828086489.db2.gz XYQPENFASTYVIM-VIFPVBQESA-N 1 3 254.334 -0.263 20 0 CBADHO CN(CCCNCc1cnnn1C)C(=O)CC[NH+](C)C ZINC001276209217 828137929 /nfs/dbraw/zinc/13/79/29/828137929.db2.gz QVUYHKXFPULGFP-UHFFFAOYSA-N 1 3 282.392 -0.295 20 0 CBADHO C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)C(N)=O ZINC001276245642 828139283 /nfs/dbraw/zinc/13/92/83/828139283.db2.gz QSEDEEYKNRPVMI-VIFPVBQESA-N 1 3 267.333 -0.736 20 0 CBADHO C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001277299118 828181806 /nfs/dbraw/zinc/18/18/06/828181806.db2.gz MJNACKCGTNLZPG-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO Cn1cncc1N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001277769654 828207724 /nfs/dbraw/zinc/20/77/24/828207724.db2.gz NJDCLORYDDVCKD-BETUJISGSA-N 1 3 279.388 -0.129 20 0 CBADHO C[NH+](C)CCN1CCO[C@H]2CN(CC(C)(C)CO)C[C@H]21 ZINC001277968557 828224416 /nfs/dbraw/zinc/22/44/16/828224416.db2.gz VXYLTQHHFQEOHF-KGLIPLIRSA-N 1 3 285.432 -0.049 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]C(C)C ZINC001278187424 828256376 /nfs/dbraw/zinc/25/63/76/828256376.db2.gz QCAVLVNSRHWUMY-JTQLQIEISA-N 1 3 254.334 -0.264 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001278187429 828256860 /nfs/dbraw/zinc/25/68/60/828256860.db2.gz QCAVLVNSRHWUMY-SNVBAGLBSA-N 1 3 254.334 -0.264 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCCC[NH+](C)C ZINC001278417778 828269355 /nfs/dbraw/zinc/26/93/55/828269355.db2.gz XNGSGVWWOBGALG-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001278828932 828293454 /nfs/dbraw/zinc/29/34/54/828293454.db2.gz RJMNJCMBBIQSIU-CYBMUJFWSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001278828932 828293457 /nfs/dbraw/zinc/29/34/57/828293457.db2.gz RJMNJCMBBIQSIU-CYBMUJFWSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001279025277 828313576 /nfs/dbraw/zinc/31/35/76/828313576.db2.gz NFQGUTBRCJBSCR-WDEREUQCSA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001279025274 828313852 /nfs/dbraw/zinc/31/38/52/828313852.db2.gz NFQGUTBRCJBSCR-GHMZBOCLSA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001279025275 828314584 /nfs/dbraw/zinc/31/45/84/828314584.db2.gz NFQGUTBRCJBSCR-MNOVXSKESA-N 1 3 266.345 -0.229 20 0 CBADHO CCCN(C)CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001350069794 890930861 /nfs/dbraw/zinc/93/08/61/890930861.db2.gz QRLJXYSLDYNZTI-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCN(C)CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001350069794 890930870 /nfs/dbraw/zinc/93/08/70/890930870.db2.gz QRLJXYSLDYNZTI-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@H](N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001350404748 890979602 /nfs/dbraw/zinc/97/96/02/890979602.db2.gz DBAMNHUMIOMSOC-LBPRGKRZSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001326309741 884978739 /nfs/dbraw/zinc/97/87/39/884978739.db2.gz PXJHBBMJQQODLL-KOLCDFICSA-N 1 3 258.366 -0.800 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)[C@H](CN)OC)CC1 ZINC001331321844 886776421 /nfs/dbraw/zinc/77/64/21/886776421.db2.gz BQUPCRFVGAYEKA-LBPRGKRZSA-N 1 3 273.377 -0.423 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC001331959378 887063928 /nfs/dbraw/zinc/06/39/28/887063928.db2.gz ZDRMGBXSWZZTCT-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CN1CC[NH+](C[C@H](O)CNCc2ccon2)CC1 ZINC001331961311 887064864 /nfs/dbraw/zinc/06/48/64/887064864.db2.gz YIFSVTXJUWQIIA-GFCCVEGCSA-N 1 3 254.334 -0.628 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001332333501 887209826 /nfs/dbraw/zinc/20/98/26/887209826.db2.gz CBUFNOLOXZGZDF-LVEVGFFFSA-N 1 3 253.346 -0.563 20 0 CBADHO COCC[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001332567310 887357919 /nfs/dbraw/zinc/35/79/19/887357919.db2.gz UOKQGRLDRLXOMJ-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333177613 887551776 /nfs/dbraw/zinc/55/17/76/887551776.db2.gz FQTFDCWKQXRRLO-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](N)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333657873 887736573 /nfs/dbraw/zinc/73/65/73/887736573.db2.gz XDMZZJAZRUDNEN-JTQLQIEISA-N 1 3 264.333 -0.438 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001337515513 889027617 /nfs/dbraw/zinc/02/76/17/889027617.db2.gz QYADVYRGJIUGFW-BETUJISGSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1cnnn1C ZINC001339999093 889362345 /nfs/dbraw/zinc/36/23/45/889362345.db2.gz SBWWJEVDQDGPBI-JTQLQIEISA-N 1 3 253.350 -0.078 20 0 CBADHO [NH3+]CCNCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001340824538 889493202 /nfs/dbraw/zinc/49/32/02/889493202.db2.gz PVVCIZQALUHTKK-ZDUSSCGKSA-N 1 3 262.357 -0.635 20 0 CBADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145668 889550084 /nfs/dbraw/zinc/55/00/84/889550084.db2.gz QSLRKBYECSQANL-UTLUCORTSA-N 1 3 266.349 -0.552 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001341500989 889609095 /nfs/dbraw/zinc/60/90/95/889609095.db2.gz GNYYXEPZSUUWNP-UHTWSYAYSA-N 1 3 269.389 -0.245 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C1CNCCS1(=O)=O ZINC001341632403 889637477 /nfs/dbraw/zinc/63/74/77/889637477.db2.gz UHMUMCZPVMOJQL-LLVKDONJSA-N 1 3 291.417 -0.779 20 0 CBADHO N[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[C@H]1F ZINC001342176619 889727034 /nfs/dbraw/zinc/72/70/34/889727034.db2.gz SKBANQOMFPKOEG-GMTAPVOTSA-N 1 3 286.351 -0.919 20 0 CBADHO N[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[C@H]1F ZINC001342265364 889740775 /nfs/dbraw/zinc/74/07/75/889740775.db2.gz MHOUJEMZSHBJPQ-CKYFFXLPSA-N 1 3 259.325 -0.611 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001443914123 912302638 /nfs/dbraw/zinc/30/26/38/912302638.db2.gz HCRRQXQXBQOGFD-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001443914123 912302648 /nfs/dbraw/zinc/30/26/48/912302648.db2.gz HCRRQXQXBQOGFD-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001443984227 912318759 /nfs/dbraw/zinc/31/87/59/912318759.db2.gz SCHVMTFPEIDVKX-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001443984233 912319385 /nfs/dbraw/zinc/31/93/85/912319385.db2.gz SCHVMTFPEIDVKX-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC001342480502 889780772 /nfs/dbraw/zinc/78/07/72/889780772.db2.gz FBYBXOKVDHZZFJ-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]C1CC2(C1)CC(NC(=O)C[C@@H]1CNCCO1)C2 ZINC001342665076 889812924 /nfs/dbraw/zinc/81/29/24/889812924.db2.gz SYQJSKLKPVPBDM-XPOXDWOYSA-N 1 3 253.346 -0.249 20 0 CBADHO CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1CNCCO1 ZINC001343672149 889945916 /nfs/dbraw/zinc/94/59/16/889945916.db2.gz IRQDHQQTRUMAEV-UWVGGRQHSA-N 1 3 261.391 -0.439 20 0 CBADHO CN(C)C1(C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CCC1 ZINC001444496952 912454848 /nfs/dbraw/zinc/45/48/48/912454848.db2.gz FYSYLENARYHREY-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444627965 912480863 /nfs/dbraw/zinc/48/08/63/912480863.db2.gz HZBUZAOIRSFVDU-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681031 912490519 /nfs/dbraw/zinc/49/05/19/912490519.db2.gz UNBPQDPPDPJEOS-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681023 912491130 /nfs/dbraw/zinc/49/11/30/912491130.db2.gz UNBPQDPPDPJEOS-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001444684090 912491209 /nfs/dbraw/zinc/49/12/09/912491209.db2.gz DMVGWUBTKIKJPJ-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CNC[C@H]2CCCO2)CC[N@@H+]1C ZINC001344875850 890076949 /nfs/dbraw/zinc/07/69/49/890076949.db2.gz BAOONUNFECWVGN-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CNC[C@H]2CCCO2)CC[N@H+]1C ZINC001344875850 890076964 /nfs/dbraw/zinc/07/69/64/890076964.db2.gz BAOONUNFECWVGN-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)CCN1C ZINC001344875850 890076978 /nfs/dbraw/zinc/07/69/78/890076978.db2.gz BAOONUNFECWVGN-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001444717472 912496286 /nfs/dbraw/zinc/49/62/86/912496286.db2.gz HRENLEFYXHKFND-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001346419522 890288321 /nfs/dbraw/zinc/28/83/21/890288321.db2.gz ROEDQRKVIMNSSL-TXEJJXNPSA-N 1 3 254.378 -0.380 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445394828 912656880 /nfs/dbraw/zinc/65/68/80/912656880.db2.gz NLPPXKJPYXHVPV-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445438225 912665616 /nfs/dbraw/zinc/66/56/16/912665616.db2.gz PMQDVYSNXIZQLG-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001445432203 912666309 /nfs/dbraw/zinc/66/63/09/912666309.db2.gz AJLOLQGEWASAKS-MNOVXSKESA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445438226 912667408 /nfs/dbraw/zinc/66/74/08/912667408.db2.gz PMQDVYSNXIZQLG-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001445603980 912712624 /nfs/dbraw/zinc/71/26/24/912712624.db2.gz BIJWWOTYFVBIMW-GARJFASQSA-N 1 3 272.393 -0.459 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445649406 912723283 /nfs/dbraw/zinc/72/32/83/912723283.db2.gz UHBUZSOSVHJAAF-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445650423 912724457 /nfs/dbraw/zinc/72/44/57/912724457.db2.gz VWCXAJFXCOKBEW-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445650423 912724471 /nfs/dbraw/zinc/72/44/71/912724471.db2.gz VWCXAJFXCOKBEW-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001188145949 884722196 /nfs/dbraw/zinc/72/21/96/884722196.db2.gz SINVUURELUXETH-CYBMUJFWSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210788637 884766309 /nfs/dbraw/zinc/76/63/09/884766309.db2.gz HAFDMLBVEZQBCH-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO [NH3+]C[C@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC001326256965 884962486 /nfs/dbraw/zinc/96/24/86/884962486.db2.gz CNNJAVXTEQDXDQ-SECBINFHSA-N 1 3 263.345 -0.134 20 0 CBADHO CN(CCNS(C)(=O)=O)CCC1CC[NH2+]CC1 ZINC001326309567 884980758 /nfs/dbraw/zinc/98/07/58/884980758.db2.gz NTMNSQOLGCQEGZ-UHFFFAOYSA-N 1 3 263.407 -0.143 20 0 CBADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001446483594 912890196 /nfs/dbraw/zinc/89/01/96/912890196.db2.gz WIDJUGYHXXJEED-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001326924173 885194979 /nfs/dbraw/zinc/19/49/79/885194979.db2.gz UKYRTXWNADNZPD-SFYZADRCSA-N 1 3 251.277 -0.536 20 0 CBADHO CNC(=O)NC(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001327089757 885251897 /nfs/dbraw/zinc/25/18/97/885251897.db2.gz MSJMNFSQXHMJFA-UHFFFAOYSA-N 1 3 268.361 -0.092 20 0 CBADHO CC[C@@H](N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001327577688 885410624 /nfs/dbraw/zinc/41/06/24/885410624.db2.gz DBAMNHUMIOMSOC-GFCCVEGCSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](C[NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327579050 885414372 /nfs/dbraw/zinc/41/43/72/885414372.db2.gz MGEVMTRLQZRDIS-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC[NH2+]C2CC2)n1 ZINC001327602247 885425278 /nfs/dbraw/zinc/42/52/78/885425278.db2.gz WFZPFKPTGOGOCR-UHFFFAOYSA-N 1 3 265.317 -0.601 20 0 CBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001328206741 885603286 /nfs/dbraw/zinc/60/32/86/885603286.db2.gz AAWSXRLTWKQFTK-UHFFFAOYSA-N 1 3 287.404 -0.736 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001328368028 885657572 /nfs/dbraw/zinc/65/75/72/885657572.db2.gz MGRDGVASZLFLIK-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO NCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001328522404 885716450 /nfs/dbraw/zinc/71/64/50/885716450.db2.gz MFGMDEPXTYRVPN-QWRGUYRKSA-N 1 3 268.361 -0.948 20 0 CBADHO CC[NH2+]CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001328523834 885716688 /nfs/dbraw/zinc/71/66/88/885716688.db2.gz GGGUKQDRXHDPBQ-NSHDSACASA-N 1 3 266.349 -0.490 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC1 ZINC001329044345 885897464 /nfs/dbraw/zinc/89/74/64/885897464.db2.gz BZHRWXFSVPMLDD-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC001330528718 886470785 /nfs/dbraw/zinc/47/07/85/886470785.db2.gz NWWHMKYGUMKZPK-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC001330528711 886471204 /nfs/dbraw/zinc/47/12/04/886471204.db2.gz NWWHMKYGUMKZPK-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO Cc1c(CN)c(NC(=O)[C@]2(F)CC[NH2+]C2)nn1C ZINC001330595030 886492450 /nfs/dbraw/zinc/49/24/50/886492450.db2.gz QRTLSIMSJZMBIY-NSHDSACASA-N 1 3 255.297 -0.173 20 0 CBADHO NC1(C(=O)N2CCC(O)(C[NH3+])CC2)CC2(CCC2)C1 ZINC001330595342 886493205 /nfs/dbraw/zinc/49/32/05/886493205.db2.gz UZSIBIPJTOKSMF-UHFFFAOYSA-N 1 3 267.373 -0.040 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330591937 886493631 /nfs/dbraw/zinc/49/36/31/886493631.db2.gz LWDJFPLFPAIWQF-JQWIXIFHSA-N 1 3 255.362 -0.036 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001330640703 886514585 /nfs/dbraw/zinc/51/45/85/886514585.db2.gz IYKXCIIVUIZBGT-GXFFZTMASA-N 1 3 263.345 -0.440 20 0 CBADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001447362672 913063717 /nfs/dbraw/zinc/06/37/17/913063717.db2.gz XZSVFHUYFRXCPM-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001331052779 886660669 /nfs/dbraw/zinc/66/06/69/886660669.db2.gz JKCKNTKQSSEUHQ-NXEZZACHSA-N 1 3 253.346 -0.439 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001447470158 913086059 /nfs/dbraw/zinc/08/60/59/913086059.db2.gz NLGXKKDMKQBOFV-CQSZACIVSA-N 1 3 287.404 -0.736 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331665878 886888216 /nfs/dbraw/zinc/88/82/16/886888216.db2.gz CBOPQFGMHKADBD-JHJVBQTASA-N 1 3 296.415 -0.219 20 0 CBADHO COCCN[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331712911 886929584 /nfs/dbraw/zinc/92/95/84/886929584.db2.gz VVGNLDQUVUTDIT-CHWSQXEVSA-N 1 3 285.388 -0.959 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH]cn1 ZINC001332026353 887087275 /nfs/dbraw/zinc/08/72/75/887087275.db2.gz JZLUWUONHHRKRN-DGCLKSJQSA-N 1 3 296.371 -0.460 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001332228376 887162131 /nfs/dbraw/zinc/16/21/31/887162131.db2.gz ITAKEPBQGCFLEU-LBPRGKRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC1(C)C ZINC001332330411 887205283 /nfs/dbraw/zinc/20/52/83/887205283.db2.gz BOAHHXHKPNRGSH-HAQNSBGRSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332331652 887206980 /nfs/dbraw/zinc/20/69/80/887206980.db2.gz KROPKINZSAECTI-BETUJISGSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NCC[C@H]1CNCCS1(=O)=O ZINC001332403472 887265249 /nfs/dbraw/zinc/26/52/49/887265249.db2.gz WXCAIESKXNTWFF-AXFHLTTASA-N 1 3 263.407 -0.522 20 0 CBADHO COC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001332815430 887437802 /nfs/dbraw/zinc/43/78/02/887437802.db2.gz IFKMUTHSGIFGLQ-NWDGAFQWSA-N 1 3 269.349 -0.619 20 0 CBADHO COC[C@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001332815430 887437815 /nfs/dbraw/zinc/43/78/15/887437815.db2.gz IFKMUTHSGIFGLQ-NWDGAFQWSA-N 1 3 269.349 -0.619 20 0 CBADHO [NH3+]Cc1ccccc1CNS(=O)(=O)C1CNC1 ZINC001332816920 887438116 /nfs/dbraw/zinc/43/81/16/887438116.db2.gz ZGFHGWDFFVRKSJ-UHFFFAOYSA-N 1 3 255.343 -0.464 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC001333178907 887554834 /nfs/dbraw/zinc/55/48/34/887554834.db2.gz VVZWYGUGWFWKBB-NSHDSACASA-N 1 3 250.302 -0.361 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001333405554 887625164 /nfs/dbraw/zinc/62/51/64/887625164.db2.gz MSJYKAGOUODFSI-JHJVBQTASA-N 1 3 294.399 -0.560 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCCC[NH3+] ZINC001333533971 887679996 /nfs/dbraw/zinc/67/99/96/887679996.db2.gz XYAIWIIQAKUTOF-UHFFFAOYSA-N 1 3 287.408 -0.613 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333635645 887730325 /nfs/dbraw/zinc/73/03/25/887730325.db2.gz KBRNSTAIFUNMJC-APPZFPTMSA-N 1 3 265.317 -0.745 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC001333682496 887743658 /nfs/dbraw/zinc/74/36/58/887743658.db2.gz FBYBXOKVDHZZFJ-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@@H]3COC(=O)N3)CC2)C1 ZINC001334336699 887925383 /nfs/dbraw/zinc/92/53/83/887925383.db2.gz DBQBNFKINBKMQW-BJDJZHNGSA-N 1 3 269.345 -0.343 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@H]3COC(=O)N3)CC2)C1 ZINC001334336702 887925716 /nfs/dbraw/zinc/92/57/16/887925716.db2.gz DBQBNFKINBKMQW-USZNOCQGSA-N 1 3 269.345 -0.343 20 0 CBADHO O=C1C[C@@H](CCNC[C@H](O)C[NH+]2CCCC2)CN1 ZINC001335318417 888497064 /nfs/dbraw/zinc/49/70/64/888497064.db2.gz HAQJDPMEDISJDW-NEPJUHHUSA-N 1 3 255.362 -0.441 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@@H](O)COC(C)C)CC1 ZINC001335384976 888519064 /nfs/dbraw/zinc/51/90/64/888519064.db2.gz UQPGGKNDZAAMHK-CQSZACIVSA-N 1 3 273.421 -0.001 20 0 CBADHO CN1CCC(O)(C[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001335439757 888534730 /nfs/dbraw/zinc/53/47/30/888534730.db2.gz GUNGJJRHFRCQNE-LLVKDONJSA-N 1 3 260.378 -0.445 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841233 888641816 /nfs/dbraw/zinc/64/18/16/888641816.db2.gz BHZAJGIZHUDJKL-IEECTRCBSA-N 1 3 265.357 -0.426 20 0 CBADHO CCN1CCN(CCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001335935868 888658559 /nfs/dbraw/zinc/65/85/59/888658559.db2.gz YIFTVKWNUQNKJD-HNNXBMFYSA-N 1 3 295.431 -0.139 20 0 CBADHO CCS(=O)(=O)NCCCNC[C@H](O)C[NH+]1CCCC1 ZINC001336751500 888869582 /nfs/dbraw/zinc/86/95/82/888869582.db2.gz SLTDDAWBONKGRA-LBPRGKRZSA-N 1 3 293.433 -0.638 20 0 CBADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CN(C)CCN1C ZINC001336779111 888877958 /nfs/dbraw/zinc/87/79/58/888877958.db2.gz GSVPRZISMCISTH-KKUMJFAQSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@@H](O)[C@@H](C)[NH2+]CC(=O)NCCN1CCCCC1 ZINC001336829824 888894170 /nfs/dbraw/zinc/89/41/70/888894170.db2.gz FHBBIKSZRKKYCM-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO Cn1cnc(CCCNC[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC001336833567 888894369 /nfs/dbraw/zinc/89/43/69/888894369.db2.gz IXRKRBAVVWBKSJ-GFCCVEGCSA-N 1 3 267.377 -0.208 20 0 CBADHO Cn1cnc(CCCNC[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC001336833567 888894382 /nfs/dbraw/zinc/89/43/82/888894382.db2.gz IXRKRBAVVWBKSJ-GFCCVEGCSA-N 1 3 267.377 -0.208 20 0 CBADHO Cn1cnc(CCCNC[C@H](O)C[N@H+](C)C2CC2)n1 ZINC001336833568 888895229 /nfs/dbraw/zinc/89/52/29/888895229.db2.gz IXRKRBAVVWBKSJ-LBPRGKRZSA-N 1 3 267.377 -0.208 20 0 CBADHO Cn1cnc(CCCNC[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC001336833568 888895241 /nfs/dbraw/zinc/89/52/41/888895241.db2.gz IXRKRBAVVWBKSJ-LBPRGKRZSA-N 1 3 267.377 -0.208 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1CNCCO1)C2 ZINC001338640728 889184424 /nfs/dbraw/zinc/18/44/24/889184424.db2.gz JEGMBAPXUCETCR-WHOHXGKFSA-N 1 3 268.361 -0.504 20 0 CBADHO C[C@H](NC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001448585055 913323484 /nfs/dbraw/zinc/32/34/84/913323484.db2.gz BEZPURPFRGTRGI-CMPLNLGQSA-N 1 3 284.404 -0.362 20 0 CBADHO CCCN(CCN(C)C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340646769 889460295 /nfs/dbraw/zinc/46/02/95/889460295.db2.gz ABVJRMUBUPZTPE-WCQYABFASA-N 1 3 257.378 -0.101 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001340281709 889416708 /nfs/dbraw/zinc/41/67/08/889416708.db2.gz HXCXIXUNLHSDQW-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001340477852 889436197 /nfs/dbraw/zinc/43/61/97/889436197.db2.gz RCCQXWDGFWQZLN-OPRDCNLKSA-N 1 3 257.334 -0.524 20 0 CBADHO O=C(NCC1(O)C[NH2+]C1)[C@@H]1CNCc2ccccc21 ZINC001340594479 889451865 /nfs/dbraw/zinc/45/18/65/889451865.db2.gz KRFYUHQBRMSCKA-GFCCVEGCSA-N 1 3 261.325 -0.676 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001340652991 889459516 /nfs/dbraw/zinc/45/95/16/889459516.db2.gz QAIDMGSOXWPMAX-VXGBXAGGSA-N 1 3 266.389 -0.319 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001340674592 889465646 /nfs/dbraw/zinc/46/56/46/889465646.db2.gz NAUJFLCOXSDSTB-CYBMUJFWSA-N 1 3 284.404 -0.883 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001340737831 889476179 /nfs/dbraw/zinc/47/61/79/889476179.db2.gz BZCUUPJVSJHDDY-GARJFASQSA-N 1 3 253.346 -0.249 20 0 CBADHO CC[C@H](CO)NCC1(C[NH2+][C@@H](CC)CO)COC1 ZINC001340884708 889506520 /nfs/dbraw/zinc/50/65/20/889506520.db2.gz HSYKPECUPOPYPH-TXEJJXNPSA-N 1 3 260.378 -0.276 20 0 CBADHO CC[C@H](CO)[NH2+]CC1(CN[C@@H](CC)CO)COC1 ZINC001340884708 889506532 /nfs/dbraw/zinc/50/65/32/889506532.db2.gz HSYKPECUPOPYPH-TXEJJXNPSA-N 1 3 260.378 -0.276 20 0 CBADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001340917158 889513287 /nfs/dbraw/zinc/51/32/87/889513287.db2.gz XWAAYEANQAGFTR-QJPTWQEYSA-N 1 3 257.378 -0.341 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC001340908187 889514304 /nfs/dbraw/zinc/51/43/04/889514304.db2.gz QLMHZCCFXHQQAG-SNVBAGLBSA-N 1 3 255.318 -0.697 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001340935949 889517439 /nfs/dbraw/zinc/51/74/39/889517439.db2.gz LFVLPVQCSSAWJE-ZJUUUORDSA-N 1 3 269.345 -0.475 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001340942214 889518818 /nfs/dbraw/zinc/51/88/18/889518818.db2.gz BKKFVUJKRWPACY-NKWVEPMBSA-N 1 3 251.277 -0.802 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@H]1CNCCO1 ZINC001341025887 889532775 /nfs/dbraw/zinc/53/27/75/889532775.db2.gz PSUDHMGOAWCJBU-UTUOFQBUSA-N 1 3 255.362 -0.273 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001341098376 889542829 /nfs/dbraw/zinc/54/28/29/889542829.db2.gz SJMVTYIXEZDVQI-RYUDHWBXSA-N 1 3 254.378 -0.476 20 0 CBADHO COCCNCC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341338748 889577170 /nfs/dbraw/zinc/57/71/70/889577170.db2.gz IEMWYULHVDNUGG-ZDUSSCGKSA-N 1 3 255.362 -0.033 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341525129 889615065 /nfs/dbraw/zinc/61/50/65/889615065.db2.gz JANBOSIRNDSNBJ-QPUJVOFHSA-N 1 3 252.318 -0.878 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCN1 ZINC001341659621 889643064 /nfs/dbraw/zinc/64/30/64/889643064.db2.gz OMGQTHQBOYCXEV-CHWSQXEVSA-N 1 3 296.415 -0.360 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672225 889645095 /nfs/dbraw/zinc/64/50/95/889645095.db2.gz BQFDFTJPWKLWAE-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)CC[C@H]1C[NH3+] ZINC001341878778 889679041 /nfs/dbraw/zinc/67/90/41/889679041.db2.gz QOVUTPXKDXHXSF-WOPDTQHZSA-N 1 3 254.378 -0.667 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001341924221 889684502 /nfs/dbraw/zinc/68/45/02/889684502.db2.gz RQEPUYAMZYUMHA-WUHRBBMRSA-N 1 3 267.373 -0.361 20 0 CBADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1C[NH2+]C[C@H]1O ZINC001342269221 889743802 /nfs/dbraw/zinc/74/38/02/889743802.db2.gz HFEAWPUWRQUOSF-FRRDWIJNSA-N 1 3 261.325 -0.330 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347805 889756460 /nfs/dbraw/zinc/75/64/60/889756460.db2.gz KBONWDNGRMQSIX-CBKZZEEASA-N 1 3 267.373 -0.219 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373716 889765665 /nfs/dbraw/zinc/76/56/65/889765665.db2.gz IMOSHXUIWRLVCZ-VXGBXAGGSA-N 1 3 268.405 -0.216 20 0 CBADHO COc1cccc([C@@H](CNC(=O)CNCC[NH3+])N(C)C)c1 ZINC001343354766 889894553 /nfs/dbraw/zinc/89/45/53/889894553.db2.gz UCVQEUKNHXDAJB-CQSZACIVSA-N 1 3 294.399 -0.038 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001343460389 889912887 /nfs/dbraw/zinc/91/28/87/889912887.db2.gz ZMRKCJLAOKSGFR-OPRDCNLKSA-N 1 3 257.334 -0.537 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001343474682 889915961 /nfs/dbraw/zinc/91/59/61/889915961.db2.gz XLVFXGKPVHQWRV-YVECIDJPSA-N 1 3 267.373 -0.219 20 0 CBADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1COC2(CNC2)C1 ZINC001344010861 889991045 /nfs/dbraw/zinc/99/10/45/889991045.db2.gz GOKJZBIZLOAQDD-QSKOYVBTSA-N 1 3 265.357 -0.211 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344375015 890018448 /nfs/dbraw/zinc/01/84/48/890018448.db2.gz QLQYXERSPPFUKX-RKDXNWHRSA-N 1 3 265.304 -0.458 20 0 CBADHO C[C@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC001344876497 890078237 /nfs/dbraw/zinc/07/82/37/890078237.db2.gz GERFNURHPZMPRT-ZPFDUUQYSA-N 1 3 253.346 -0.569 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345499996 890138422 /nfs/dbraw/zinc/13/84/22/890138422.db2.gz DIHIYFCJDAADMW-IRCOFANPSA-N 1 3 253.346 -0.236 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC001346332419 890271576 /nfs/dbraw/zinc/27/15/76/890271576.db2.gz IDNTUNMVPBSLPF-AWEZNQCLSA-N 1 3 299.463 -0.639 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCC2([NH3+])CC2)C1 ZINC001346339073 890272333 /nfs/dbraw/zinc/27/23/33/890272333.db2.gz JGYNFWHKRASODJ-SNVBAGLBSA-N 1 3 256.350 -0.502 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]([NH3+])C2CC2)n1 ZINC001347156876 890418245 /nfs/dbraw/zinc/41/82/45/890418245.db2.gz DOAPLTRKVBMPGG-VIFPVBQESA-N 1 3 265.317 -0.616 20 0 CBADHO NC1(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001347161703 890422299 /nfs/dbraw/zinc/42/22/99/890422299.db2.gz XKAZHEPDHAUERM-LLVKDONJSA-N 1 3 253.346 -0.153 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001348307089 890591264 /nfs/dbraw/zinc/59/12/64/890591264.db2.gz OTDZBGYTWOIEIZ-SSDOTTSWSA-N 1 3 268.321 -0.871 20 0 CBADHO NCC(CN)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC001350908346 891065423 /nfs/dbraw/zinc/06/54/23/891065423.db2.gz CXPLXLKZOTUZNO-UHFFFAOYSA-N 1 3 271.386 -0.274 20 0 CBADHO NCC(C[NH3+])NCCCS(=O)(=O)c1ccccc1 ZINC001350908346 891065438 /nfs/dbraw/zinc/06/54/38/891065438.db2.gz CXPLXLKZOTUZNO-UHFFFAOYSA-N 1 3 271.386 -0.274 20 0 CBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001449150546 913523240 /nfs/dbraw/zinc/52/32/40/913523240.db2.gz ZZJALDVRBPNPGJ-ZDUSSCGKSA-N 1 3 297.403 -0.719 20 0 CBADHO [NH3+]CCOCCN1CCNC(=O)CC12CCOCC2 ZINC001351800229 891189501 /nfs/dbraw/zinc/18/95/01/891189501.db2.gz LUYWJKYHHXDNKT-UHFFFAOYSA-N 1 3 271.361 -0.667 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])N1CCCCC1 ZINC001353049456 891350666 /nfs/dbraw/zinc/35/06/66/891350666.db2.gz ZIHDBIPQPYWKEU-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CO[C@@H](CN)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001353075868 891354769 /nfs/dbraw/zinc/35/47/69/891354769.db2.gz FFZUCQMCFJPFDI-RNJXMRFFSA-N 1 3 269.267 -0.444 20 0 CBADHO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1=CCN(C)CC1 ZINC001353132686 891364408 /nfs/dbraw/zinc/36/44/08/891364408.db2.gz WDTKDOYTFFMKAN-GVXVVHGQSA-N 1 3 294.399 -0.394 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449242367 913551895 /nfs/dbraw/zinc/55/18/95/913551895.db2.gz ZMXAMAVEGMALNN-QWHCGFSZSA-N 1 3 287.404 -0.928 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449242367 913551900 /nfs/dbraw/zinc/55/19/00/913551900.db2.gz ZMXAMAVEGMALNN-QWHCGFSZSA-N 1 3 287.404 -0.928 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001353274121 891392839 /nfs/dbraw/zinc/39/28/39/891392839.db2.gz SNSQWSIJFLUVND-ZDUSSCGKSA-N 1 3 271.405 -0.511 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449242368 913555956 /nfs/dbraw/zinc/55/59/56/913555956.db2.gz ZMXAMAVEGMALNN-STQMWFEESA-N 1 3 287.404 -0.928 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449242368 913555970 /nfs/dbraw/zinc/55/59/70/913555970.db2.gz ZMXAMAVEGMALNN-STQMWFEESA-N 1 3 287.404 -0.928 20 0 CBADHO C[NH2+]CCN(C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC001353427868 891425568 /nfs/dbraw/zinc/42/55/68/891425568.db2.gz CYTKGFBIVQFQGZ-NSHDSACASA-N 1 3 258.366 -0.386 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001353431253 891425630 /nfs/dbraw/zinc/42/56/30/891425630.db2.gz UVKDATSMVYKMGP-GVXVVHGQSA-N 1 3 268.361 -0.584 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001353430278 891426001 /nfs/dbraw/zinc/42/60/01/891426001.db2.gz PSABMAMFUZGJOO-DGCLKSJQSA-N 1 3 268.361 -0.488 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353449093 891428283 /nfs/dbraw/zinc/42/82/83/891428283.db2.gz ZNTDZQUJQPLBGF-NQBHXWOUSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+]CCN1CCC[C@H](C(=O)NCCN2CCCC2)C1=O ZINC001353449112 891428443 /nfs/dbraw/zinc/42/84/43/891428443.db2.gz ZYQWIFMUZXJYIZ-GFCCVEGCSA-N 1 3 282.388 -0.604 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)[C@@H](N)C(C)(C)O ZINC001353571650 891447328 /nfs/dbraw/zinc/44/73/28/891447328.db2.gz RADRXNOBZSDWPF-SNVBAGLBSA-N 1 3 261.366 -0.831 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)[C@@H](N)C(C)(C)O ZINC001353571650 891447337 /nfs/dbraw/zinc/44/73/37/891447337.db2.gz RADRXNOBZSDWPF-SNVBAGLBSA-N 1 3 261.366 -0.831 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1c(CN)cnn1C ZINC001354683987 891605473 /nfs/dbraw/zinc/60/54/73/891605473.db2.gz SATVAABWFGPQLF-SCZZXKLOSA-N 1 3 251.334 -0.536 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001354892011 891626586 /nfs/dbraw/zinc/62/65/86/891626586.db2.gz FFCDJEITWNVHPT-IIRVCBMXSA-N 1 3 257.378 -0.200 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001354892017 891628913 /nfs/dbraw/zinc/62/89/13/891628913.db2.gz FFCDJEITWNVHPT-ROHXPCBUSA-N 1 3 257.378 -0.200 20 0 CBADHO C[NH2+]CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001357433893 891893582 /nfs/dbraw/zinc/89/35/82/891893582.db2.gz HUVPIDHTSIXCSE-QWHCGFSZSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C)CN1 ZINC001357443560 891895252 /nfs/dbraw/zinc/89/52/52/891895252.db2.gz CFAPPECGUXZPSO-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC001357514725 891907867 /nfs/dbraw/zinc/90/78/67/891907867.db2.gz IVHRTPVJJSNXNT-QWRGUYRKSA-N 1 3 256.350 -0.645 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001357992257 891955195 /nfs/dbraw/zinc/95/51/95/891955195.db2.gz ICSRECHZEMPTQY-PWSUYJOCSA-N 1 3 254.378 -0.606 20 0 CBADHO C[C@H]1[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CCN1C ZINC001358185331 891978841 /nfs/dbraw/zinc/97/88/41/891978841.db2.gz IUGBEGJYSHCPRS-WDEREUQCSA-N 1 3 280.376 -0.161 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001365821647 895129484 /nfs/dbraw/zinc/12/94/84/895129484.db2.gz PFWQGUXEDXUFRW-WUHRBBMRSA-N 1 3 298.431 -0.069 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001365850424 895131057 /nfs/dbraw/zinc/13/10/57/895131057.db2.gz XYBCTLYTAVXSKJ-KKOKHZNYSA-N 1 3 284.404 -0.315 20 0 CBADHO CN(C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001366098096 895191174 /nfs/dbraw/zinc/19/11/74/895191174.db2.gz LRXUDLHMPKKMAS-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366133049 895199860 /nfs/dbraw/zinc/19/98/60/895199860.db2.gz WPIMBTNTMKTERV-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366157935 895207744 /nfs/dbraw/zinc/20/77/44/895207744.db2.gz DCHOLMIVMRJYEW-RNJOBUHISA-N 1 3 287.404 -0.429 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001366173930 895211145 /nfs/dbraw/zinc/21/11/45/895211145.db2.gz WEXFDXUZHLWAST-NNYUYHANSA-N 1 3 284.404 -0.317 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001366170033 895214303 /nfs/dbraw/zinc/21/43/03/895214303.db2.gz XDEYCDRXCLZXAE-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366182052 895217275 /nfs/dbraw/zinc/21/72/75/895217275.db2.gz ANQXNIXFOOAZQH-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001366218855 895220162 /nfs/dbraw/zinc/22/01/62/895220162.db2.gz KEXZOJKTLIGBNG-GFCCVEGCSA-N 1 3 282.388 -0.462 20 0 CBADHO CC[C@H](N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308634 895268603 /nfs/dbraw/zinc/26/86/03/895268603.db2.gz ZXUJEVMBENSAEY-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(N)=O ZINC001366334732 895283731 /nfs/dbraw/zinc/28/37/31/895283731.db2.gz VZWJJXYGGRLYCD-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001366346532 895289637 /nfs/dbraw/zinc/28/96/37/895289637.db2.gz ULMVYQDYDRCSDH-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001366346532 895289645 /nfs/dbraw/zinc/28/96/45/895289645.db2.gz ULMVYQDYDRCSDH-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366358138 895289736 /nfs/dbraw/zinc/28/97/36/895289736.db2.gz NDMVLYQSBKAZDL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366358138 895289747 /nfs/dbraw/zinc/28/97/47/895289747.db2.gz NDMVLYQSBKAZDL-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366381577 895302064 /nfs/dbraw/zinc/30/20/64/895302064.db2.gz IMXFTYUAPSDDNI-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366386982 895304248 /nfs/dbraw/zinc/30/42/48/895304248.db2.gz YTLSLXVLVSVLKH-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366386983 895307253 /nfs/dbraw/zinc/30/72/53/895307253.db2.gz YTLSLXVLVSVLKH-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366396817 895309733 /nfs/dbraw/zinc/30/97/33/895309733.db2.gz XMRCNYCWMRGZQW-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001366402516 895314593 /nfs/dbraw/zinc/31/45/93/895314593.db2.gz ALPQXNPEOOUQGV-PWSUYJOCSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001366472115 895328391 /nfs/dbraw/zinc/32/83/91/895328391.db2.gz JJAKIRBPRCSRSY-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550689 895378562 /nfs/dbraw/zinc/37/85/62/895378562.db2.gz PHAFDTOECUPYPN-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001366776207 895459806 /nfs/dbraw/zinc/45/98/06/895459806.db2.gz RSQGVLXKCPVYHY-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366963100 895509898 /nfs/dbraw/zinc/50/98/98/895509898.db2.gz MXCILJWHSZVGRR-KWCYVHTRSA-N 1 3 299.415 -0.618 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366963100 895509908 /nfs/dbraw/zinc/50/99/08/895509908.db2.gz MXCILJWHSZVGRR-KWCYVHTRSA-N 1 3 299.415 -0.618 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001367128807 895571017 /nfs/dbraw/zinc/57/10/17/895571017.db2.gz RTXDFRZHGYOVAW-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCNC1=O ZINC001367138728 895574383 /nfs/dbraw/zinc/57/43/83/895574383.db2.gz MHKXYPOTXLLQNS-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367281800 895602086 /nfs/dbraw/zinc/60/20/86/895602086.db2.gz AMQIPHLXOGNACZ-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001367369316 895627206 /nfs/dbraw/zinc/62/72/06/895627206.db2.gz VQEGSYKKBRYYAO-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(N)=O ZINC001367456392 895638109 /nfs/dbraw/zinc/63/81/09/895638109.db2.gz YSYXTSSXHOQANO-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558104 895663146 /nfs/dbraw/zinc/66/31/46/895663146.db2.gz BRDUZPJNQRXYEP-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO Cc1ncc(CNC[C@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001367600159 895694067 /nfs/dbraw/zinc/69/40/67/895694067.db2.gz IWEGOHYKALFBJJ-ZDUSSCGKSA-N 1 3 295.387 -0.697 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001367695611 895749576 /nfs/dbraw/zinc/74/95/76/895749576.db2.gz JIUUEXBCNREVTM-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001367693375 895749792 /nfs/dbraw/zinc/74/97/92/895749792.db2.gz RQUOKEPBSUGETQ-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711114 895760409 /nfs/dbraw/zinc/76/04/09/895760409.db2.gz DVOLZKQCBDFTFW-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711114 895760428 /nfs/dbraw/zinc/76/04/28/895760428.db2.gz DVOLZKQCBDFTFW-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001367714518 895761935 /nfs/dbraw/zinc/76/19/35/895761935.db2.gz JFQXHAZMVKGBMK-MNOVXSKESA-N 1 3 272.393 -0.445 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367731492 895774685 /nfs/dbraw/zinc/77/46/85/895774685.db2.gz MOINALDMTDFAEL-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367731492 895774693 /nfs/dbraw/zinc/77/46/93/895774693.db2.gz MOINALDMTDFAEL-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367753368 895789335 /nfs/dbraw/zinc/78/93/35/895789335.db2.gz IEAUKSMJZZSOKE-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001367773799 895802614 /nfs/dbraw/zinc/80/26/14/895802614.db2.gz CBNYMFGXYKZOOD-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC)N(C)C ZINC001368155493 895924354 /nfs/dbraw/zinc/92/43/54/895924354.db2.gz DZOZHPCRDTYKFO-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001368198587 895933131 /nfs/dbraw/zinc/93/31/31/895933131.db2.gz XFTKGUZBTFRDFY-SMDDNHRTSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)NC)CCC1 ZINC001368493852 896018369 /nfs/dbraw/zinc/01/83/69/896018369.db2.gz QIIIATWHVJOKIE-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC)CCC1)N(C)C ZINC001368475802 896018526 /nfs/dbraw/zinc/01/85/26/896018526.db2.gz LXFIWAABVOBGIW-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001368537395 896028740 /nfs/dbraw/zinc/02/87/40/896028740.db2.gz WKMRONMDBGDSEU-CMPLNLGQSA-N 1 3 282.344 -0.850 20 0 CBADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275210 896184698 /nfs/dbraw/zinc/18/46/98/896184698.db2.gz IUTZRTQMLAOCML-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001369395224 896254699 /nfs/dbraw/zinc/25/46/99/896254699.db2.gz RUFAAQYLRIYMLR-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001369395224 896254709 /nfs/dbraw/zinc/25/47/09/896254709.db2.gz RUFAAQYLRIYMLR-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001369451384 896274142 /nfs/dbraw/zinc/27/41/42/896274142.db2.gz XJZSRHKGLZVPJF-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001370548999 896440363 /nfs/dbraw/zinc/44/03/63/896440363.db2.gz RKFGEVLAOZVFJE-SRVKXCTJSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001370649867 896462519 /nfs/dbraw/zinc/46/25/19/896462519.db2.gz MZTYDNYSECYPKG-NTZNESFSSA-N 1 3 294.403 -0.108 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001370709797 896483901 /nfs/dbraw/zinc/48/39/01/896483901.db2.gz DSOKNHAILLANRG-WISYIIOYSA-N 1 3 284.404 -0.302 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001370712817 896486942 /nfs/dbraw/zinc/48/69/42/896486942.db2.gz PXINGJGIMHZRCT-TUAOUCFPSA-N 1 3 296.371 -0.495 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001371341632 896592898 /nfs/dbraw/zinc/59/28/98/896592898.db2.gz CIGVAPRCRBNYNX-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001371341628 896595141 /nfs/dbraw/zinc/59/51/41/896595141.db2.gz CIGVAPRCRBNYNX-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371424399 896604832 /nfs/dbraw/zinc/60/48/32/896604832.db2.gz IBJIYAPOZZHYQM-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001371472961 896619677 /nfs/dbraw/zinc/61/96/77/896619677.db2.gz HZAPHAAPDVTCHW-TZMCWYRMSA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001371582791 896640862 /nfs/dbraw/zinc/64/08/62/896640862.db2.gz MCMSQRJZZQNGME-BFHYXJOUSA-N 1 3 299.415 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001371608836 896641915 /nfs/dbraw/zinc/64/19/15/896641915.db2.gz ADMLTCBSMKQMHE-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001372943778 896908226 /nfs/dbraw/zinc/90/82/26/896908226.db2.gz HVWHEEASGAXUEU-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001372940702 896909296 /nfs/dbraw/zinc/90/92/96/896909296.db2.gz ZQRVNZGJLGAANH-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH+](C)CCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001373887807 897133220 /nfs/dbraw/zinc/13/32/20/897133220.db2.gz CCUOZYQXHIUQPB-CYBMUJFWSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)[NH+](C)C ZINC001374285579 897204399 /nfs/dbraw/zinc/20/43/99/897204399.db2.gz SCMDQQJDTLNGLR-CMPLNLGQSA-N 1 3 272.393 -0.506 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCC(N)=O)[NH+](C)C ZINC001374322642 897209837 /nfs/dbraw/zinc/20/98/37/897209837.db2.gz SCMDQQJDTLNGLR-PWSUYJOCSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C(N)=O ZINC001374324955 897210199 /nfs/dbraw/zinc/21/01/99/897210199.db2.gz GXWTXSJXASCTDD-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001374424004 897223513 /nfs/dbraw/zinc/22/35/13/897223513.db2.gz GFRKRMBCOBTAOO-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001374675250 897336667 /nfs/dbraw/zinc/33/66/67/897336667.db2.gz LEELZJXSQZJJKD-QWRGUYRKSA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001374675250 897336675 /nfs/dbraw/zinc/33/66/75/897336675.db2.gz LEELZJXSQZJJKD-QWRGUYRKSA-N 1 3 298.412 -0.339 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001374773248 897385357 /nfs/dbraw/zinc/38/53/57/897385357.db2.gz XPXGLNOFUWKHIK-VXGBXAGGSA-N 1 3 287.404 -0.428 20 0 CBADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374811713 897399681 /nfs/dbraw/zinc/39/96/81/897399681.db2.gz RLZFAWMQEFCYNR-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374833661 897408982 /nfs/dbraw/zinc/40/89/82/897408982.db2.gz GBANBHAZNIOLEZ-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC)CC[N@@H+]1C ZINC001374888593 897422620 /nfs/dbraw/zinc/42/26/20/897422620.db2.gz DSWJMINKDNNYBZ-SDDRHHMPSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC)CC[N@H+]1C ZINC001374888593 897422625 /nfs/dbraw/zinc/42/26/25/897422625.db2.gz DSWJMINKDNNYBZ-SDDRHHMPSA-N 1 3 284.404 -0.443 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001374928362 897433217 /nfs/dbraw/zinc/43/32/17/897433217.db2.gz NPQXEPLDZKHUBB-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001374928362 897433230 /nfs/dbraw/zinc/43/32/30/897433230.db2.gz NPQXEPLDZKHUBB-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001374962902 897442522 /nfs/dbraw/zinc/44/25/22/897442522.db2.gz NIOJNEASZRQAHN-AAEUAGOBSA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001375225817 897498429 /nfs/dbraw/zinc/49/84/29/897498429.db2.gz TZMJRJKBCCZOAT-YUSALJHKSA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001375225817 897498439 /nfs/dbraw/zinc/49/84/39/897498439.db2.gz TZMJRJKBCCZOAT-YUSALJHKSA-N 1 3 282.388 -0.704 20 0 CBADHO COCCN1CC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001375375007 897531850 /nfs/dbraw/zinc/53/18/50/897531850.db2.gz VJCRSCCYJDWZGE-ZIAGYGMSSA-N 1 3 299.415 -0.208 20 0 CBADHO CC(C)[C@@H](C(=O)NCC1(N[C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375433348 897544807 /nfs/dbraw/zinc/54/48/07/897544807.db2.gz OYKSCFCOJMQUEW-MNOVXSKESA-N 1 3 284.404 -0.315 20 0 CBADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001375540417 897561816 /nfs/dbraw/zinc/56/18/16/897561816.db2.gz YMNDDSUTDSPZGP-XYPYZODXSA-N 1 3 282.388 -0.560 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001375558392 897566136 /nfs/dbraw/zinc/56/61/36/897566136.db2.gz SRNWWFQWDRVPFT-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766479 897602580 /nfs/dbraw/zinc/60/25/80/897602580.db2.gz VVTSYXOTGSOEBT-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001375759110 897603050 /nfs/dbraw/zinc/60/30/50/897603050.db2.gz ZEHTVWFYQJPGHF-WCQYABFASA-N 1 3 296.415 -0.075 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376097497 897651819 /nfs/dbraw/zinc/65/18/19/897651819.db2.gz URNHMVGCVAYPJX-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376097497 897651827 /nfs/dbraw/zinc/65/18/27/897651827.db2.gz URNHMVGCVAYPJX-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1)N(C)C ZINC001376100122 897653062 /nfs/dbraw/zinc/65/30/62/897653062.db2.gz ZSPPETSDOXMCHJ-OCCSQVGLSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1)N(C)C ZINC001376100122 897653070 /nfs/dbraw/zinc/65/30/70/897653070.db2.gz ZSPPETSDOXMCHJ-OCCSQVGLSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001376276679 897703353 /nfs/dbraw/zinc/70/33/53/897703353.db2.gz KHKBJYAZCWIBEV-ZYHUDNBSSA-N 1 3 284.404 -0.315 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376363133 897719944 /nfs/dbraw/zinc/71/99/44/897719944.db2.gz AUEIXGUJUVAXQU-IJLUTSLNSA-N 1 3 296.415 -0.158 20 0 CBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376609650 897784755 /nfs/dbraw/zinc/78/47/55/897784755.db2.gz LRUNNKWCQXGZLI-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376609650 897784770 /nfs/dbraw/zinc/78/47/70/897784770.db2.gz LRUNNKWCQXGZLI-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)CC[N@@H+]1C ZINC001376735042 897827308 /nfs/dbraw/zinc/82/73/08/897827308.db2.gz WUTJQVBRCFWVET-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)CC[N@H+]1C ZINC001376735042 897827312 /nfs/dbraw/zinc/82/73/12/897827312.db2.gz WUTJQVBRCFWVET-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376735104 897828754 /nfs/dbraw/zinc/82/87/54/897828754.db2.gz XEZAPWOJOGCASO-YNEHKIRRSA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376735104 897828759 /nfs/dbraw/zinc/82/87/59/897828759.db2.gz XEZAPWOJOGCASO-YNEHKIRRSA-N 1 3 298.431 -0.055 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001376788616 897846494 /nfs/dbraw/zinc/84/64/94/897846494.db2.gz CTIXSHFHPZSDGZ-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001376788616 897846505 /nfs/dbraw/zinc/84/65/05/897846505.db2.gz CTIXSHFHPZSDGZ-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001376809558 897852885 /nfs/dbraw/zinc/85/28/85/897852885.db2.gz WBWNCPVBADWJCQ-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC1CC1 ZINC001376804586 897853714 /nfs/dbraw/zinc/85/37/14/897853714.db2.gz CWJXQSLXQGNHMO-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001376851612 897866984 /nfs/dbraw/zinc/86/69/84/897866984.db2.gz DRBREARTLIRACS-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001376851612 897866975 /nfs/dbraw/zinc/86/69/75/897866975.db2.gz DRBREARTLIRACS-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001376851607 897868781 /nfs/dbraw/zinc/86/87/81/897868781.db2.gz DRBREARTLIRACS-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001376851607 897868789 /nfs/dbraw/zinc/86/87/89/897868789.db2.gz DRBREARTLIRACS-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001376948563 897899846 /nfs/dbraw/zinc/89/98/46/897899846.db2.gz OSOVWWDFJCXCMP-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001377077307 897926671 /nfs/dbraw/zinc/92/66/71/897926671.db2.gz WSKNOUAJHPFUTR-DGCLKSJQSA-N 1 3 286.420 -0.197 20 0 CBADHO COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC001377126747 897935215 /nfs/dbraw/zinc/93/52/15/897935215.db2.gz DTGIMTXETGQHOB-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC001377126747 897935224 /nfs/dbraw/zinc/93/52/24/897935224.db2.gz DTGIMTXETGQHOB-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001377578308 898093907 /nfs/dbraw/zinc/09/39/07/898093907.db2.gz GACQEIOCKMFCEX-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001377589120 898096987 /nfs/dbraw/zinc/09/69/87/898096987.db2.gz HOLKWQXSMCLVJQ-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001377589120 898097000 /nfs/dbraw/zinc/09/70/00/898097000.db2.gz HOLKWQXSMCLVJQ-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377589838 898098926 /nfs/dbraw/zinc/09/89/26/898098926.db2.gz CIWXYKSLZNGESV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377589838 898098940 /nfs/dbraw/zinc/09/89/40/898098940.db2.gz CIWXYKSLZNGESV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@H]1CCNC1=O)[NH+](C)C ZINC001377588449 898100202 /nfs/dbraw/zinc/10/02/02/898100202.db2.gz ILLVCDPHRTXLKN-NWDGAFQWSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001377598868 898101614 /nfs/dbraw/zinc/10/16/14/898101614.db2.gz DJKPIGSRWMLRAA-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378013511 898196538 /nfs/dbraw/zinc/19/65/38/898196538.db2.gz AMHXPQOFDJCJSW-ZDUSSCGKSA-N 1 3 297.399 -0.863 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378013510 898197865 /nfs/dbraw/zinc/19/78/65/898197865.db2.gz AMHXPQOFDJCJSW-CYBMUJFWSA-N 1 3 297.399 -0.863 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162587 898260472 /nfs/dbraw/zinc/26/04/72/898260472.db2.gz CJIGFMRJXXDWCC-OLZOCXBDSA-N 1 3 287.404 -0.522 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001378261224 898295115 /nfs/dbraw/zinc/29/51/15/898295115.db2.gz XJIKRZFIUCSPEY-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001378261224 898295132 /nfs/dbraw/zinc/29/51/32/898295132.db2.gz XJIKRZFIUCSPEY-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001378336618 898317805 /nfs/dbraw/zinc/31/78/05/898317805.db2.gz HXWZWMBBUCTCGY-WDEREUQCSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001378344195 898320481 /nfs/dbraw/zinc/32/04/81/898320481.db2.gz OZSWNOHVJOMSDZ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001378344195 898320493 /nfs/dbraw/zinc/32/04/93/898320493.db2.gz OZSWNOHVJOMSDZ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001378519636 898340126 /nfs/dbraw/zinc/34/01/26/898340126.db2.gz SQTXVEQDRDKQDM-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001378516592 898342440 /nfs/dbraw/zinc/34/24/40/898342440.db2.gz YZBUGMPXQRCSQC-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001378583810 898358209 /nfs/dbraw/zinc/35/82/09/898358209.db2.gz VTIVWYIVBUOSRC-VXGBXAGGSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCCCN1C ZINC001378780256 898408569 /nfs/dbraw/zinc/40/85/69/898408569.db2.gz AMSQXCRUEWRKCG-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CN(C)C1CCC1 ZINC001378779556 898410670 /nfs/dbraw/zinc/41/06/70/898410670.db2.gz XCRZFOIIONZYGC-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001379100295 898464955 /nfs/dbraw/zinc/46/49/55/898464955.db2.gz GGVFKSNGAVOXRQ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278537 898534644 /nfs/dbraw/zinc/53/46/44/898534644.db2.gz QCSYEQRSWOZDAH-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001379514079 898650130 /nfs/dbraw/zinc/65/01/30/898650130.db2.gz DEVZRRQAFUHEAV-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379536640 898662135 /nfs/dbraw/zinc/66/21/35/898662135.db2.gz STWVWTIDEGQLQK-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001379533365 898662444 /nfs/dbraw/zinc/66/24/44/898662444.db2.gz UQFAVUQURTZTBW-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001379553492 898664602 /nfs/dbraw/zinc/66/46/02/898664602.db2.gz QZHNEKOBLQBRJC-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001379579722 898673178 /nfs/dbraw/zinc/67/31/78/898673178.db2.gz KWDSWMMUWRMIKW-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001379579722 898673186 /nfs/dbraw/zinc/67/31/86/898673186.db2.gz KWDSWMMUWRMIKW-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001379735987 898711343 /nfs/dbraw/zinc/71/13/43/898711343.db2.gz UKOZNCYPVUSFMS-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO Cn1nncc1CNC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001379889205 898753715 /nfs/dbraw/zinc/75/37/15/898753715.db2.gz BRKQINOGFKMPTL-ZDUSSCGKSA-N 1 3 294.403 -0.249 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379893785 898753830 /nfs/dbraw/zinc/75/38/30/898753830.db2.gz MQXAEBGPVPPIQR-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087505 898804275 /nfs/dbraw/zinc/80/42/75/898804275.db2.gz CYNZJEWZJFGPAU-RYUDHWBXSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087505 898804290 /nfs/dbraw/zinc/80/42/90/898804290.db2.gz CYNZJEWZJFGPAU-RYUDHWBXSA-N 1 3 298.431 -0.195 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380539426 898895223 /nfs/dbraw/zinc/89/52/23/898895223.db2.gz UMRLWPKGGPRNGG-HIFRSBDPSA-N 1 3 299.415 -0.594 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380539426 898895232 /nfs/dbraw/zinc/89/52/32/898895232.db2.gz UMRLWPKGGPRNGG-HIFRSBDPSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(N)=O)CCC2)CC[N@@H+]1C ZINC001380859706 898962164 /nfs/dbraw/zinc/96/21/64/898962164.db2.gz XIHVLBRDWOBNLD-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(N)=O)CCC2)CC[N@H+]1C ZINC001380859706 898962174 /nfs/dbraw/zinc/96/21/74/898962174.db2.gz XIHVLBRDWOBNLD-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001380919229 898969749 /nfs/dbraw/zinc/96/97/49/898969749.db2.gz SOFQNZHOWOPXGP-AAEUAGOBSA-N 1 3 296.371 -0.196 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001381103551 898998614 /nfs/dbraw/zinc/99/86/14/898998614.db2.gz MUIKTAJVXPLBKQ-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001381194346 899011209 /nfs/dbraw/zinc/01/12/09/899011209.db2.gz XTGGAOCZBPZSRT-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)C(N)=O ZINC001381274800 899021330 /nfs/dbraw/zinc/02/13/30/899021330.db2.gz QLOAWRDTACBODW-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001381624901 899096730 /nfs/dbraw/zinc/09/67/30/899096730.db2.gz YSXFVAKJBDJLJI-CHWSQXEVSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001381624901 899096745 /nfs/dbraw/zinc/09/67/45/899096745.db2.gz YSXFVAKJBDJLJI-CHWSQXEVSA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCC1 ZINC001382051026 899146081 /nfs/dbraw/zinc/14/60/81/899146081.db2.gz NQYXRBULVJWLNF-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(N)=O ZINC001382114700 899159316 /nfs/dbraw/zinc/15/93/16/899159316.db2.gz DIPHBIZNOKSNAD-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H]1C ZINC001382302414 899241751 /nfs/dbraw/zinc/24/17/51/899241751.db2.gz JGGQTCUPHRLBTF-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)CC[NH+](C)C ZINC001455305949 914330533 /nfs/dbraw/zinc/33/05/33/914330533.db2.gz BDEMKWCKRJGQCY-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)N(C)C ZINC001382537476 899318986 /nfs/dbraw/zinc/31/89/86/899318986.db2.gz YGHZBYRLJCMNQQ-WDEREUQCSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385887275 899598511 /nfs/dbraw/zinc/59/85/11/899598511.db2.gz UBMZBZHABIYSFD-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001386791476 899708503 /nfs/dbraw/zinc/70/85/03/899708503.db2.gz JCSONIABPDSKBZ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386791476 899708507 /nfs/dbraw/zinc/70/85/07/899708507.db2.gz JCSONIABPDSKBZ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001387099815 899761883 /nfs/dbraw/zinc/76/18/83/899761883.db2.gz BBLQBLWHAZZJEG-JTQLQIEISA-N 1 3 295.387 -0.167 20 0 CBADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001387786402 899829754 /nfs/dbraw/zinc/82/97/54/899829754.db2.gz PWYSQNUZMMOZAU-AWEZNQCLSA-N 1 3 298.431 -0.149 20 0 CBADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001387809113 899834805 /nfs/dbraw/zinc/83/48/05/899834805.db2.gz CZIPMJRPFCJRRT-LBPRGKRZSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001388729345 899905495 /nfs/dbraw/zinc/90/54/95/899905495.db2.gz WBIZXHLRGAQSLO-IJLUTSLNSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001388756357 899907861 /nfs/dbraw/zinc/90/78/61/899907861.db2.gz CAZAIXBXOMMXOX-SCRDCRAPSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001389406354 900008199 /nfs/dbraw/zinc/00/81/99/900008199.db2.gz DXOZYCVZVQMQGF-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001389406354 900008208 /nfs/dbraw/zinc/00/82/08/900008208.db2.gz DXOZYCVZVQMQGF-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001389609933 900049602 /nfs/dbraw/zinc/04/96/02/900049602.db2.gz QPEFJANVTASXNH-MFKMUULPSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001389609360 900050477 /nfs/dbraw/zinc/05/04/77/900050477.db2.gz PBDRKMAQRMLGQP-CMPLNLGQSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001389693844 900057750 /nfs/dbraw/zinc/05/77/50/900057750.db2.gz QWLNADARUQPQKV-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001389861084 900086543 /nfs/dbraw/zinc/08/65/43/900086543.db2.gz NAQYBJDFHRRVOW-DCAQKATOSA-N 1 3 282.388 -0.419 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001389916982 900092056 /nfs/dbraw/zinc/09/20/56/900092056.db2.gz PXINGJGIMHZRCT-IJLUTSLNSA-N 1 3 296.371 -0.495 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001389980413 900101985 /nfs/dbraw/zinc/10/19/85/900101985.db2.gz AGFXIUGEYHLYFY-NTZNESFSSA-N 1 3 284.404 -0.445 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001390025163 900105497 /nfs/dbraw/zinc/10/54/97/900105497.db2.gz GVICUPVYNJLAMH-BETUJISGSA-N 1 3 294.403 -0.145 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390433872 900159544 /nfs/dbraw/zinc/15/95/44/900159544.db2.gz OAHMYPLCVREMCF-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390433872 900159550 /nfs/dbraw/zinc/15/95/50/900159550.db2.gz OAHMYPLCVREMCF-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N(C)C1CC1 ZINC001390463468 900167309 /nfs/dbraw/zinc/16/73/09/900167309.db2.gz BIOUTHHKPPQYNR-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001390464486 900167877 /nfs/dbraw/zinc/16/78/77/900167877.db2.gz FBGRCHDNNNARBX-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCNC1=O ZINC001390466098 900169801 /nfs/dbraw/zinc/16/98/01/900169801.db2.gz SSZCSNOWWKWYNF-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001390551759 900186001 /nfs/dbraw/zinc/18/60/01/900186001.db2.gz SFQZECSTQFGHAV-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001390548660 900188109 /nfs/dbraw/zinc/18/81/09/900188109.db2.gz CPDKYLDHJDPQFK-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001390557204 900188809 /nfs/dbraw/zinc/18/88/09/900188809.db2.gz NZBTWDHAIWXYHO-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001390557204 900188818 /nfs/dbraw/zinc/18/88/18/900188818.db2.gz NZBTWDHAIWXYHO-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001390600583 900195974 /nfs/dbraw/zinc/19/59/74/900195974.db2.gz AJESMORUCOFGOQ-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001390601805 900197351 /nfs/dbraw/zinc/19/73/51/900197351.db2.gz CVHMLMKMROBFCJ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390711323 900217118 /nfs/dbraw/zinc/21/71/18/900217118.db2.gz IUSLEGCVCXFRJF-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001391210574 900339440 /nfs/dbraw/zinc/33/94/40/900339440.db2.gz FJFKQHZYHINIJT-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)NC)C1 ZINC001391334834 900354927 /nfs/dbraw/zinc/35/49/27/900354927.db2.gz LZSJFYFHVFJFAZ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)NC)C1 ZINC001391334834 900354947 /nfs/dbraw/zinc/35/49/47/900354947.db2.gz LZSJFYFHVFJFAZ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001391354412 900359835 /nfs/dbraw/zinc/35/98/35/900359835.db2.gz PEKMYLRYMINEDR-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001391354412 900359844 /nfs/dbraw/zinc/35/98/44/900359844.db2.gz PEKMYLRYMINEDR-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001391354410 900362710 /nfs/dbraw/zinc/36/27/10/900362710.db2.gz PEKMYLRYMINEDR-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001391354410 900362713 /nfs/dbraw/zinc/36/27/13/900362713.db2.gz PEKMYLRYMINEDR-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(CCN(C)C(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001391831266 900451103 /nfs/dbraw/zinc/45/11/03/900451103.db2.gz OTNXIKYESXTJRS-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)N(C)C ZINC001391865336 900453777 /nfs/dbraw/zinc/45/37/77/900453777.db2.gz NRQQZMOVGBWUDC-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392066872 900506727 /nfs/dbraw/zinc/50/67/27/900506727.db2.gz WKKHUSDTSULFIA-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001392480560 900634450 /nfs/dbraw/zinc/63/44/50/900634450.db2.gz OSXWTMFSQHWNDS-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001392480560 900634457 /nfs/dbraw/zinc/63/44/57/900634457.db2.gz OSXWTMFSQHWNDS-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392504897 900641050 /nfs/dbraw/zinc/64/10/50/900641050.db2.gz KTWXOKFPXANQPJ-SNVBAGLBSA-N 1 3 270.377 -0.832 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392570575 900664023 /nfs/dbraw/zinc/66/40/23/900664023.db2.gz XPXGLNOFUWKHIK-NWDGAFQWSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001392598699 900669887 /nfs/dbraw/zinc/66/98/87/900669887.db2.gz XWAAEVPJCAMZKB-AXFHLTTASA-N 1 3 272.393 -0.315 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001392791213 900727732 /nfs/dbraw/zinc/72/77/32/900727732.db2.gz ZSINRFMCOXGRPK-NEPJUHHUSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001392964630 900768348 /nfs/dbraw/zinc/76/83/48/900768348.db2.gz VKANGTCKJRCKIM-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393039541 900784550 /nfs/dbraw/zinc/78/45/50/900784550.db2.gz CJSFAIOMULZXFC-STQMWFEESA-N 1 3 294.399 -0.606 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001393270404 900823531 /nfs/dbraw/zinc/82/35/31/900823531.db2.gz FAXJEKARCCSFMO-AWEZNQCLSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393644806 900891781 /nfs/dbraw/zinc/89/17/81/900891781.db2.gz QBTDTMMXRJXRMF-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393644806 900891794 /nfs/dbraw/zinc/89/17/94/900891794.db2.gz QBTDTMMXRJXRMF-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO C[NH+](C)CCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001456583167 914490514 /nfs/dbraw/zinc/49/05/14/914490514.db2.gz BXTONNAHONMDCH-UHFFFAOYSA-N 1 3 296.415 -0.392 20 0 CBADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001394392588 901023766 /nfs/dbraw/zinc/02/37/66/901023766.db2.gz RWZLLKYBSMBKCO-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394453552 901026609 /nfs/dbraw/zinc/02/66/09/901026609.db2.gz QIDBTXQDOOSQIQ-RYUDHWBXSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394453552 901026619 /nfs/dbraw/zinc/02/66/19/901026619.db2.gz QIDBTXQDOOSQIQ-RYUDHWBXSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(N)=O ZINC001394540954 901046117 /nfs/dbraw/zinc/04/61/17/901046117.db2.gz RBMONAROMVICTM-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394552586 901048000 /nfs/dbraw/zinc/04/80/00/901048000.db2.gz IAWDOYOQRFPELG-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394552586 901048004 /nfs/dbraw/zinc/04/80/04/901048004.db2.gz IAWDOYOQRFPELG-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001394664342 901112550 /nfs/dbraw/zinc/11/25/50/901112550.db2.gz BLAVGKIMKJJKCD-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001394681961 901120612 /nfs/dbraw/zinc/12/06/12/901120612.db2.gz UYAWHBDJSZNGAG-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001394859402 901165136 /nfs/dbraw/zinc/16/51/36/901165136.db2.gz FBTQGTKMTDLETF-YIZWMMSDSA-N 1 3 298.431 -0.102 20 0 CBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)CC[NH+](C)C ZINC001395680769 901223049 /nfs/dbraw/zinc/22/30/49/901223049.db2.gz PXDAFZBPXIMFSO-NSHDSACASA-N 1 3 295.387 -0.133 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001397156598 901370701 /nfs/dbraw/zinc/37/07/01/901370701.db2.gz GXVNIAVDLIKJMW-QJPTWQEYSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001397597015 901435716 /nfs/dbraw/zinc/43/57/16/901435716.db2.gz XYBCTLYTAVXSKJ-NNYUYHANSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001397611206 901438791 /nfs/dbraw/zinc/43/87/91/901438791.db2.gz HGDHAVFDEIGIOA-LPWJVIDDSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(CCCO)C2)CC1 ZINC001398339146 901525875 /nfs/dbraw/zinc/52/58/75/901525875.db2.gz VQVQYMOKRQUSGS-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001398432106 901536318 /nfs/dbraw/zinc/53/63/18/901536318.db2.gz FJQBTOKTWRCMOM-VXGBXAGGSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001398443692 901540604 /nfs/dbraw/zinc/54/06/04/901540604.db2.gz GDLVGOINBHUERR-OCCSQVGLSA-N 1 3 298.431 -0.197 20 0 CBADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001398982835 901644691 /nfs/dbraw/zinc/64/46/91/901644691.db2.gz QRDCZUUUGUUQNU-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001399121513 901671002 /nfs/dbraw/zinc/67/10/02/901671002.db2.gz ZQOMBWHTSUMQDH-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001399217026 901683575 /nfs/dbraw/zinc/68/35/75/901683575.db2.gz LMYJVLWHUWCEMF-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001399217026 901683586 /nfs/dbraw/zinc/68/35/86/901683586.db2.gz LMYJVLWHUWCEMF-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001400051130 901863440 /nfs/dbraw/zinc/86/34/40/901863440.db2.gz JDKSZPPDCOSSNC-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001400054841 901866008 /nfs/dbraw/zinc/86/60/08/901866008.db2.gz MQBNKGNCQHGIHH-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001400054841 901866015 /nfs/dbraw/zinc/86/60/15/901866015.db2.gz MQBNKGNCQHGIHH-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001400066032 901870860 /nfs/dbraw/zinc/87/08/60/901870860.db2.gz NGTWYXXSEMBQKW-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001400066032 901870866 /nfs/dbraw/zinc/87/08/66/901870866.db2.gz NGTWYXXSEMBQKW-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001400166389 901888710 /nfs/dbraw/zinc/88/87/10/901888710.db2.gz AIYAQFDTEJMNRF-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC ZINC001400805435 902020761 /nfs/dbraw/zinc/02/07/61/902020761.db2.gz UWXXGUOPMWPTEH-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC ZINC001400805435 902020769 /nfs/dbraw/zinc/02/07/69/902020769.db2.gz UWXXGUOPMWPTEH-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC ZINC001400903501 902036142 /nfs/dbraw/zinc/03/61/42/902036142.db2.gz KJILBRBFYXJARE-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401113371 902056887 /nfs/dbraw/zinc/05/68/87/902056887.db2.gz HFHKFQQMZMYWOI-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001401221344 902086166 /nfs/dbraw/zinc/08/61/66/902086166.db2.gz OVXPNKKHUFRPLM-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001401220580 902086317 /nfs/dbraw/zinc/08/63/17/902086317.db2.gz NBCCSNTWXRQFQW-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001401260119 902095500 /nfs/dbraw/zinc/09/55/00/902095500.db2.gz WWZAECGZTTVSAT-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401274215 902100207 /nfs/dbraw/zinc/10/02/07/902100207.db2.gz RIQJTJYODYLONV-ZDUSSCGKSA-N 1 3 298.431 -0.066 20 0 CBADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001401438418 902122894 /nfs/dbraw/zinc/12/28/94/902122894.db2.gz NJSZPNYBOVSBNL-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001401438418 902122902 /nfs/dbraw/zinc/12/29/02/902122902.db2.gz NJSZPNYBOVSBNL-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO Cc1nc([C@H](C)NC[C@@H](O)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001401562113 902170229 /nfs/dbraw/zinc/17/02/29/902170229.db2.gz SZQMRRVJIDEJKK-GXSJLCMTSA-N 1 3 298.391 -0.807 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401601874 902180698 /nfs/dbraw/zinc/18/06/98/902180698.db2.gz FGDMLEFLXRLQBU-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001401646474 902205987 /nfs/dbraw/zinc/20/59/87/902205987.db2.gz HELDWSPEAQKFFZ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401686621 902230954 /nfs/dbraw/zinc/23/09/54/902230954.db2.gz VDRLNZPDCOEMID-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401686621 902230966 /nfs/dbraw/zinc/23/09/66/902230966.db2.gz VDRLNZPDCOEMID-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001401687972 902232218 /nfs/dbraw/zinc/23/22/18/902232218.db2.gz MPCCKIKIPWPVCK-TUAOUCFPSA-N 1 3 286.420 -0.069 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401698258 902234007 /nfs/dbraw/zinc/23/40/07/902234007.db2.gz BOCLLNRCQALULN-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001402059724 902346369 /nfs/dbraw/zinc/34/63/69/902346369.db2.gz MRNMCWIMMOYMOG-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001402066227 902352173 /nfs/dbraw/zinc/35/21/73/902352173.db2.gz FEKRMSCYEMOHLH-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001402066834 902353395 /nfs/dbraw/zinc/35/33/95/902353395.db2.gz YLFYIOWORJRSSS-STQMWFEESA-N 1 3 296.371 -0.460 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001402097349 902355091 /nfs/dbraw/zinc/35/50/91/902355091.db2.gz LRZJLAPDUBLBFD-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001402413485 902446113 /nfs/dbraw/zinc/44/61/13/902446113.db2.gz FSKLVKUBACYRBR-WDEREUQCSA-N 1 3 293.371 -0.618 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001402451896 902454734 /nfs/dbraw/zinc/45/47/34/902454734.db2.gz MOLHGYOGSKQOHM-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001402451896 902454738 /nfs/dbraw/zinc/45/47/38/902454738.db2.gz MOLHGYOGSKQOHM-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001402630434 902494160 /nfs/dbraw/zinc/49/41/60/902494160.db2.gz NADHLFKERHTFIV-GRYCIOLGSA-N 1 3 284.404 -0.348 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001402639683 902498935 /nfs/dbraw/zinc/49/89/35/902498935.db2.gz FCFXZLKDNPYHTR-XQQFMLRXSA-N 1 3 287.404 -0.429 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C ZINC001402982376 902584292 /nfs/dbraw/zinc/58/42/92/902584292.db2.gz OQADUJQUXCEMJQ-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001402996574 902585755 /nfs/dbraw/zinc/58/57/55/902585755.db2.gz AJIGMTNLPSSLCS-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001402996577 902586513 /nfs/dbraw/zinc/58/65/13/902586513.db2.gz AJIGMTNLPSSLCS-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403006036 902590477 /nfs/dbraw/zinc/59/04/77/902590477.db2.gz NICSSEOEXYFFDR-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057598 902602411 /nfs/dbraw/zinc/60/24/11/902602411.db2.gz CKLCOFNHRQQEBB-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403074557 902608780 /nfs/dbraw/zinc/60/87/80/902608780.db2.gz YARGQVBZBBXLLC-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCC1 ZINC001403080191 902609883 /nfs/dbraw/zinc/60/98/83/902609883.db2.gz IBEQYTQLHBJMIP-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403156475 902630760 /nfs/dbraw/zinc/63/07/60/902630760.db2.gz DSGFWIDREJOCQO-LLVKDONJSA-N 1 3 284.404 -0.301 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001403271001 902661476 /nfs/dbraw/zinc/66/14/76/902661476.db2.gz FKIKNZWWYJVFSI-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279479 902662164 /nfs/dbraw/zinc/66/21/64/902662164.db2.gz COLPQBXRJVMVMI-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001403404549 902685215 /nfs/dbraw/zinc/68/52/15/902685215.db2.gz FKOFIUSRGWJTCS-RWMBFGLXSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001403417866 902687021 /nfs/dbraw/zinc/68/70/21/902687021.db2.gz GAAJLCACZNGDIY-GVXVVHGQSA-N 1 3 284.404 -0.458 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001403583277 902739418 /nfs/dbraw/zinc/73/94/18/902739418.db2.gz JTJJKLQFALYHHN-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001404309837 902969588 /nfs/dbraw/zinc/96/95/88/902969588.db2.gz FETCZTSXOBCZKQ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001405332308 903148940 /nfs/dbraw/zinc/14/89/40/903148940.db2.gz HPWHPHQZYSDVNT-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001405332308 903148950 /nfs/dbraw/zinc/14/89/50/903148950.db2.gz HPWHPHQZYSDVNT-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]CC(N)=O ZINC001405362296 903153348 /nfs/dbraw/zinc/15/33/48/903153348.db2.gz GFYXYYXTLRKWGE-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001405379685 903159960 /nfs/dbraw/zinc/15/99/60/903159960.db2.gz OJHBVIBQSIKEFE-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(N)=O ZINC001405694263 903202773 /nfs/dbraw/zinc/20/27/73/903202773.db2.gz TUTCVJMJVQGWAE-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001405711149 903207587 /nfs/dbraw/zinc/20/75/87/903207587.db2.gz AFKAQXCEGZLVPZ-MNOVXSKESA-N 1 3 272.393 -0.458 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405720240 903207692 /nfs/dbraw/zinc/20/76/92/903207692.db2.gz QODSOIBGKXTCOW-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405802959 903225200 /nfs/dbraw/zinc/22/52/00/903225200.db2.gz CRIWBXRTRPVECP-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405802959 903225214 /nfs/dbraw/zinc/22/52/14/903225214.db2.gz CRIWBXRTRPVECP-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001405853851 903238308 /nfs/dbraw/zinc/23/83/08/903238308.db2.gz WBLDEXKXHKLEQM-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001405849942 903239283 /nfs/dbraw/zinc/23/92/83/903239283.db2.gz OZIYIXPGCSIZEV-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875437 903241586 /nfs/dbraw/zinc/24/15/86/903241586.db2.gz UEOKWVILAWLJFR-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001405971276 903248000 /nfs/dbraw/zinc/24/80/00/903248000.db2.gz MVBOEDFNXWCECH-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001406153174 903279515 /nfs/dbraw/zinc/27/95/15/903279515.db2.gz JIUSEGUWUYNRAP-ZDUSSCGKSA-N 1 3 299.415 -0.520 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001406216102 903304114 /nfs/dbraw/zinc/30/41/14/903304114.db2.gz ZOMOBAITNDTHPC-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001406216116 903306897 /nfs/dbraw/zinc/30/68/97/903306897.db2.gz ZOMOBAITNDTHPC-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H](F)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293134 903343662 /nfs/dbraw/zinc/34/36/62/903343662.db2.gz ZGYIMIYVDFXILE-VXGBXAGGSA-N 1 3 287.379 -0.103 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001406315873 903355755 /nfs/dbraw/zinc/35/57/55/903355755.db2.gz ZJBAYQUUPDRLCL-ZDUSSCGKSA-N 1 3 297.403 -0.673 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001406387048 903387643 /nfs/dbraw/zinc/38/76/43/903387643.db2.gz XOQPWLUPQLWNAM-IJLUTSLNSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001406516196 903424237 /nfs/dbraw/zinc/42/42/37/903424237.db2.gz CXGSEKAWQRPBID-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764454 903474687 /nfs/dbraw/zinc/47/46/87/903474687.db2.gz SHKYWNRNPFQOAU-QWHCGFSZSA-N 1 3 296.415 -0.171 20 0 CBADHO NC(=O)CNC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001406765019 903475092 /nfs/dbraw/zinc/47/50/92/903475092.db2.gz UBUUMNXUNGWZDE-GFCCVEGCSA-N 1 3 294.399 -0.416 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001406780429 903478912 /nfs/dbraw/zinc/47/89/12/903478912.db2.gz PYSVDRDVIYTTFI-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001407235659 903559693 /nfs/dbraw/zinc/55/96/93/903559693.db2.gz LGZRZLGQQHMIAJ-WFASDCNBSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)N(C)C ZINC001408211768 903731601 /nfs/dbraw/zinc/73/16/01/903731601.db2.gz KXJDKRWBZJIZHN-SRVKXCTJSA-N 1 3 284.404 -0.301 20 0 CBADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409844593 903974432 /nfs/dbraw/zinc/97/44/32/903974432.db2.gz OWSMBIUTWHLWSA-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409844593 903974439 /nfs/dbraw/zinc/97/44/39/903974439.db2.gz OWSMBIUTWHLWSA-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001410213778 904044523 /nfs/dbraw/zinc/04/45/23/904044523.db2.gz GAAJLCACZNGDIY-NQBHXWOUSA-N 1 3 284.404 -0.458 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410227974 904050521 /nfs/dbraw/zinc/05/05/21/904050521.db2.gz GRJFANAGNATLDK-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410336847 904072473 /nfs/dbraw/zinc/07/24/73/904072473.db2.gz WGGGLHCKHOEXRM-OLZOCXBDSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410336847 904072484 /nfs/dbraw/zinc/07/24/84/904072484.db2.gz WGGGLHCKHOEXRM-OLZOCXBDSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410379543 904087651 /nfs/dbraw/zinc/08/76/51/904087651.db2.gz NDFUXYMQIKCIFP-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410379543 904087663 /nfs/dbraw/zinc/08/76/63/904087663.db2.gz NDFUXYMQIKCIFP-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC1CC1 ZINC001410424259 904095856 /nfs/dbraw/zinc/09/58/56/904095856.db2.gz LVOBEORUKSHDPZ-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001410445552 904102270 /nfs/dbraw/zinc/10/22/70/904102270.db2.gz WIZOCTXKCQFKQD-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001410868201 904200521 /nfs/dbraw/zinc/20/05/21/904200521.db2.gz VPAOZYIHYXTZFA-GHMZBOCLSA-N 1 3 270.377 -0.609 20 0 CBADHO CC[C@H](C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001410912934 904201477 /nfs/dbraw/zinc/20/14/77/904201477.db2.gz HETUMDKLPJPQRK-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001411042748 904227497 /nfs/dbraw/zinc/22/74/97/904227497.db2.gz LXWUMPZKAAEDQH-YPMHNXCESA-N 1 3 287.404 -0.740 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218533 904262866 /nfs/dbraw/zinc/26/28/66/904262866.db2.gz PYDKQCIJSQNRHT-RYUDHWBXSA-N 1 3 298.431 -0.066 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218533 904262882 /nfs/dbraw/zinc/26/28/82/904262882.db2.gz PYDKQCIJSQNRHT-RYUDHWBXSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001411217475 904263430 /nfs/dbraw/zinc/26/34/30/904263430.db2.gz ZTNWYDCZNJWPSL-UTUOFQBUSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC[N@H+]1C ZINC001411217475 904263445 /nfs/dbraw/zinc/26/34/45/904263445.db2.gz ZTNWYDCZNJWPSL-UTUOFQBUSA-N 1 3 298.431 -0.068 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001414797039 905516248 /nfs/dbraw/zinc/51/62/48/905516248.db2.gz PJVCTDQSHPJEKF-LLVKDONJSA-N 1 3 293.371 -0.379 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001415198902 905577281 /nfs/dbraw/zinc/57/72/81/905577281.db2.gz JSVSJXCZCBWGTG-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001417042449 905856905 /nfs/dbraw/zinc/85/69/05/905856905.db2.gz HABLLZHWPUQWSD-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001417788585 906050527 /nfs/dbraw/zinc/05/05/27/906050527.db2.gz XJXBLMVFJSNEPA-ZDEQEGDKSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001417814936 906059434 /nfs/dbraw/zinc/05/94/34/906059434.db2.gz QCQQKQFYLMMRQB-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001417814936 906059449 /nfs/dbraw/zinc/05/94/49/906059449.db2.gz QCQQKQFYLMMRQB-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001418226569 906221558 /nfs/dbraw/zinc/22/15/58/906221558.db2.gz LLTSGXACXNSSHN-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001418232076 906228293 /nfs/dbraw/zinc/22/82/93/906228293.db2.gz BRKQOXIHIZKKHH-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418237634 906234862 /nfs/dbraw/zinc/23/48/62/906234862.db2.gz PRPOLJUVUBWJJQ-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001418244505 906238132 /nfs/dbraw/zinc/23/81/32/906238132.db2.gz YQAMERCNXZWLNO-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(N)=O ZINC001418244505 906238151 /nfs/dbraw/zinc/23/81/51/906238151.db2.gz YQAMERCNXZWLNO-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001418314794 906276727 /nfs/dbraw/zinc/27/67/27/906276727.db2.gz VDMPQICHMWMQHA-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418513240 906380544 /nfs/dbraw/zinc/38/05/44/906380544.db2.gz WFTUPYFHTNMFKK-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418513240 906380558 /nfs/dbraw/zinc/38/05/58/906380558.db2.gz WFTUPYFHTNMFKK-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001418706088 906453294 /nfs/dbraw/zinc/45/32/94/906453294.db2.gz HIKJPDPIMKQVKL-XYPYZODXSA-N 1 3 270.377 -0.704 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001418831928 906488806 /nfs/dbraw/zinc/48/88/06/906488806.db2.gz PQXBKZQZNHPPMV-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001418831928 906488815 /nfs/dbraw/zinc/48/88/15/906488815.db2.gz PQXBKZQZNHPPMV-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001418831882 906489266 /nfs/dbraw/zinc/48/92/66/906489266.db2.gz PQXBKZQZNHPPMV-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001418831882 906489270 /nfs/dbraw/zinc/48/92/70/906489270.db2.gz PQXBKZQZNHPPMV-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419058684 906583915 /nfs/dbraw/zinc/58/39/15/906583915.db2.gz GGMVFBLNNOSWPW-XJFOESAGSA-N 1 3 299.415 -0.476 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001419058684 906583930 /nfs/dbraw/zinc/58/39/30/906583930.db2.gz GGMVFBLNNOSWPW-XJFOESAGSA-N 1 3 299.415 -0.476 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001419215974 906641137 /nfs/dbraw/zinc/64/11/37/906641137.db2.gz GDDRJIGPGNHIIU-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001419387428 906673034 /nfs/dbraw/zinc/67/30/34/906673034.db2.gz UBCCBMUEGPVZGZ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419522486 906712727 /nfs/dbraw/zinc/71/27/27/906712727.db2.gz VRLZBPXMTXTMPM-RVMXOQNASA-N 1 3 298.431 -0.056 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001419528543 906715166 /nfs/dbraw/zinc/71/51/66/906715166.db2.gz QAGIDONPXVRLQK-ONGXEEELSA-N 1 3 295.387 -0.134 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001419528534 906716789 /nfs/dbraw/zinc/71/67/89/906716789.db2.gz QAGIDONPXVRLQK-GXSJLCMTSA-N 1 3 295.387 -0.134 20 0 CBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001419732412 906791079 /nfs/dbraw/zinc/79/10/79/906791079.db2.gz GFFLZLGHJSVCSZ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC1CC1 ZINC001419824086 906824089 /nfs/dbraw/zinc/82/40/89/906824089.db2.gz AVLVIDKMKZMKBP-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001419826512 906827348 /nfs/dbraw/zinc/82/73/48/906827348.db2.gz BJZWWCQESDQHSI-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419848548 906830986 /nfs/dbraw/zinc/83/09/86/906830986.db2.gz JAXOEUWGHUBNKT-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001419836571 906832266 /nfs/dbraw/zinc/83/22/66/906832266.db2.gz JCDAALZEIUWYKE-WCQYABFASA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902642 906849926 /nfs/dbraw/zinc/84/99/26/906849926.db2.gz ONHURLQBDFNSMP-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902642 906849932 /nfs/dbraw/zinc/84/99/32/906849932.db2.gz ONHURLQBDFNSMP-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904766 906853425 /nfs/dbraw/zinc/85/34/25/906853425.db2.gz QIXKUZLEPKARTD-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904766 906853435 /nfs/dbraw/zinc/85/34/35/906853435.db2.gz QIXKUZLEPKARTD-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001419909079 906856154 /nfs/dbraw/zinc/85/61/54/906856154.db2.gz QHBPOLNDWQMNTI-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420010527 906896216 /nfs/dbraw/zinc/89/62/16/906896216.db2.gz IDSNOHISBMRZLL-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001420013634 906900012 /nfs/dbraw/zinc/90/00/12/906900012.db2.gz XJYQPPAZZHPVNI-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001420142388 906968259 /nfs/dbraw/zinc/96/82/59/906968259.db2.gz QFXGDZPZXOZAJU-RYUDHWBXSA-N 1 3 287.404 -0.428 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1cncs1 ZINC001420150196 906970982 /nfs/dbraw/zinc/97/09/82/906970982.db2.gz UONRMQIPHRLKGR-JTQLQIEISA-N 1 3 286.401 -0.339 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001420187524 907000275 /nfs/dbraw/zinc/00/02/75/907000275.db2.gz FQUXOWIMQRZTHO-QWRGUYRKSA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001420187524 907000297 /nfs/dbraw/zinc/00/02/97/907000297.db2.gz FQUXOWIMQRZTHO-QWRGUYRKSA-N 1 3 298.412 -0.339 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001420243936 907043050 /nfs/dbraw/zinc/04/30/50/907043050.db2.gz NPCWDBCDVKDUGY-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001420299931 907082532 /nfs/dbraw/zinc/08/25/32/907082532.db2.gz MPCCKIKIPWPVCK-UTUOFQBUSA-N 1 3 286.420 -0.069 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001420333911 907106461 /nfs/dbraw/zinc/10/64/61/907106461.db2.gz JTNKPADETBPPRZ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420463818 907175168 /nfs/dbraw/zinc/17/51/68/907175168.db2.gz RLZFAWMQEFCYNR-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001420711484 907272397 /nfs/dbraw/zinc/27/23/97/907272397.db2.gz CRYMZRVGUKEBFW-VXGBXAGGSA-N 1 3 282.388 -0.641 20 0 CBADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937980 907367123 /nfs/dbraw/zinc/36/71/23/907367123.db2.gz GKIBGBNJELZMEP-VXGBXAGGSA-N 1 3 284.404 -0.408 20 0 CBADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026417 921320539 /nfs/dbraw/zinc/32/05/39/921320539.db2.gz QOVJHACJVRWPQT-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001502026417 921320547 /nfs/dbraw/zinc/32/05/47/921320547.db2.gz QOVJHACJVRWPQT-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001421097046 907425973 /nfs/dbraw/zinc/42/59/73/907425973.db2.gz AATIGKJFBOQUSY-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC ZINC001421439168 907546799 /nfs/dbraw/zinc/54/67/99/907546799.db2.gz DRLHHJWHWMALKE-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001421571918 907581258 /nfs/dbraw/zinc/58/12/58/907581258.db2.gz QOEDLCQTNOYRMW-OAHLLOKOSA-N 1 3 298.431 -0.053 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001502092461 921336891 /nfs/dbraw/zinc/33/68/91/921336891.db2.gz PEGKGAUASLSXCZ-NWDGAFQWSA-N 1 3 273.352 -0.275 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001502092461 921336904 /nfs/dbraw/zinc/33/69/04/921336904.db2.gz PEGKGAUASLSXCZ-NWDGAFQWSA-N 1 3 273.352 -0.275 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001421759612 907635811 /nfs/dbraw/zinc/63/58/11/907635811.db2.gz OMRWNQQAMCJKMM-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421932445 907682392 /nfs/dbraw/zinc/68/23/92/907682392.db2.gz SRHLXJCFEZHVNU-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945182 907685129 /nfs/dbraw/zinc/68/51/29/907685129.db2.gz ZOGRZWTZEUESHE-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001421961389 907691311 /nfs/dbraw/zinc/69/13/11/907691311.db2.gz RIKAKWIGENGAID-PWSUYJOCSA-N 1 3 284.360 -0.604 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CN1CCCC1 ZINC001421989710 907699287 /nfs/dbraw/zinc/69/92/87/907699287.db2.gz MHHKHYULVNASRU-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421985219 907700061 /nfs/dbraw/zinc/70/00/61/907700061.db2.gz DYIRPZGKMVJWIA-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421985219 907700070 /nfs/dbraw/zinc/70/00/70/907700070.db2.gz DYIRPZGKMVJWIA-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001422111510 907721602 /nfs/dbraw/zinc/72/16/02/907721602.db2.gz XOSXMDZWSCYPMH-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO Cc1cncc(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)c1 ZINC001422348972 907815694 /nfs/dbraw/zinc/81/56/94/907815694.db2.gz PYBLMXBYKQTIHD-CQSZACIVSA-N 1 3 294.399 -0.092 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001422419937 907850413 /nfs/dbraw/zinc/85/04/13/907850413.db2.gz OSBOAIBZHJACPO-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422460488 907869049 /nfs/dbraw/zinc/86/90/49/907869049.db2.gz MRGCQKRLZLJTNC-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422456695 907870286 /nfs/dbraw/zinc/87/02/86/907870286.db2.gz DNYSMYNRZIEEBJ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422549408 907917447 /nfs/dbraw/zinc/91/74/47/907917447.db2.gz KRPJQPFQTLNMLS-XQHKEYJVSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422549408 907917453 /nfs/dbraw/zinc/91/74/53/907917453.db2.gz KRPJQPFQTLNMLS-XQHKEYJVSA-N 1 3 298.431 -0.055 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001422546959 907917678 /nfs/dbraw/zinc/91/76/78/907917678.db2.gz MPCCKIKIPWPVCK-GRYCIOLGSA-N 1 3 286.420 -0.069 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001422553517 907917700 /nfs/dbraw/zinc/91/77/00/907917700.db2.gz NBFCUQYMMGCGCI-PWSUYJOCSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001422554984 907919145 /nfs/dbraw/zinc/91/91/45/907919145.db2.gz YGDMAIDXUCTYJL-VWYCJHECSA-N 1 3 272.393 -0.445 20 0 CBADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001422548302 907920741 /nfs/dbraw/zinc/92/07/41/907920741.db2.gz AZBJCMPOXWTQQY-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001422550905 907921771 /nfs/dbraw/zinc/92/17/71/907921771.db2.gz MYNQRQFUTXEBAQ-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001422660341 907970552 /nfs/dbraw/zinc/97/05/52/907970552.db2.gz ODQVDEOHXXELCU-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001422662751 907972185 /nfs/dbraw/zinc/97/21/85/907972185.db2.gz XAZFGOHKVBOAOJ-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001422741368 907990198 /nfs/dbraw/zinc/99/01/98/907990198.db2.gz AMYVQRFRKFVXHX-ONGXEEELSA-N 1 3 284.360 -0.638 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423037209 908086583 /nfs/dbraw/zinc/08/65/83/908086583.db2.gz FHTGVEQDDZZCPM-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423167495 908125240 /nfs/dbraw/zinc/12/52/40/908125240.db2.gz NIBDOZKTEAZAQR-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423167522 908126888 /nfs/dbraw/zinc/12/68/88/908126888.db2.gz NIBDOZKTEAZAQR-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001423288974 908190883 /nfs/dbraw/zinc/19/08/83/908190883.db2.gz OVCYLLBATXKEQQ-VXGBXAGGSA-N 1 3 296.371 -0.636 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348598 908210930 /nfs/dbraw/zinc/21/09/30/908210930.db2.gz JOMJERBJLRFTEJ-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001423409686 908221730 /nfs/dbraw/zinc/22/17/30/908221730.db2.gz YEXLZAJLJDWDTK-NSHDSACASA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406473 908222318 /nfs/dbraw/zinc/22/23/18/908222318.db2.gz USQKHKRVHRVWRT-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406489 908223836 /nfs/dbraw/zinc/22/38/36/908223836.db2.gz USQKHKRVHRVWRT-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001423480678 908250090 /nfs/dbraw/zinc/25/00/90/908250090.db2.gz WGWBFFDFWVBTHJ-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)(C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001423480476 908251948 /nfs/dbraw/zinc/25/19/48/908251948.db2.gz FJKUCYZOKBNDSV-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)N(C)C ZINC001423495884 908256876 /nfs/dbraw/zinc/25/68/76/908256876.db2.gz NRQQZMOVGBWUDC-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001423975217 908377180 /nfs/dbraw/zinc/37/71/80/908377180.db2.gz PCFSQTHRUSKEHA-NEPJUHHUSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]([NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001424722352 908492924 /nfs/dbraw/zinc/49/29/24/908492924.db2.gz AABFXNVGOCCRHD-VOMCLLRMSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N(C)C ZINC001425548230 908674531 /nfs/dbraw/zinc/67/45/31/908674531.db2.gz PODDTMMWVHIQPT-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001425666292 908690156 /nfs/dbraw/zinc/69/01/56/908690156.db2.gz UVFUGVIPJCGSAM-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001425666292 908690161 /nfs/dbraw/zinc/69/01/61/908690161.db2.gz UVFUGVIPJCGSAM-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001425881295 908772820 /nfs/dbraw/zinc/77/28/20/908772820.db2.gz JXMIZYFZWNSJBD-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001425881295 908772827 /nfs/dbraw/zinc/77/28/27/908772827.db2.gz JXMIZYFZWNSJBD-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001425883427 908775098 /nfs/dbraw/zinc/77/50/98/908775098.db2.gz DQEFVMUHIMRXFH-OLZOCXBDSA-N 1 3 298.431 -0.006 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001425978967 908793186 /nfs/dbraw/zinc/79/31/86/908793186.db2.gz XFRRXNQBMXXDBK-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001426076888 908824307 /nfs/dbraw/zinc/82/43/07/908824307.db2.gz KLUGHLXWQYPZTQ-KGLIPLIRSA-N 1 3 299.415 -0.928 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC1 ZINC001426170663 908839981 /nfs/dbraw/zinc/83/99/81/908839981.db2.gz YSSFJBKXASWEOK-LLVKDONJSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(N)=O ZINC001505683257 921467215 /nfs/dbraw/zinc/46/72/15/921467215.db2.gz YTZINRDHBYDTKL-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC ZINC001505725288 921473158 /nfs/dbraw/zinc/47/31/58/921473158.db2.gz RNTOWMALQHFJHH-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC ZINC001505725288 921473163 /nfs/dbraw/zinc/47/31/63/921473163.db2.gz RNTOWMALQHFJHH-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297108 909324321 /nfs/dbraw/zinc/32/43/21/909324321.db2.gz XNNJYBVUXRIWNV-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001430297083 909324928 /nfs/dbraw/zinc/32/49/28/909324928.db2.gz XEGYUPHOIWMDIW-UHFFFAOYSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCO ZINC001505920455 921500144 /nfs/dbraw/zinc/50/01/44/921500144.db2.gz NAKHRJYNJICUCS-AAEUAGOBSA-N 1 3 269.389 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001432264198 909600015 /nfs/dbraw/zinc/60/00/15/909600015.db2.gz BNRANSWCLXQVAI-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001436791985 910487813 /nfs/dbraw/zinc/48/78/13/910487813.db2.gz NSESXXYXGUNQML-LBPRGKRZSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001436791980 910488442 /nfs/dbraw/zinc/48/84/42/910488442.db2.gz NSESXXYXGUNQML-GFCCVEGCSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC)C1 ZINC001436927630 910509351 /nfs/dbraw/zinc/50/93/51/910509351.db2.gz UDJQXGNULGEGRU-HAQNSBGRSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001436915659 910510576 /nfs/dbraw/zinc/51/05/76/910510576.db2.gz RJILIYVNNIJSRP-XYPYZODXSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001436979736 910520731 /nfs/dbraw/zinc/52/07/31/910520731.db2.gz UJKGBGUHSVIXBM-XQQFMLRXSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001437143293 910563313 /nfs/dbraw/zinc/56/33/13/910563313.db2.gz FPLIFILXXRZFPI-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001437143295 910566960 /nfs/dbraw/zinc/56/69/60/910566960.db2.gz FPLIFILXXRZFPI-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001437213901 910587730 /nfs/dbraw/zinc/58/77/30/910587730.db2.gz JXSLNRHLTVHNSG-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437218329 910588207 /nfs/dbraw/zinc/58/82/07/910588207.db2.gz ZOVYOJLXMAEKPS-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001437260451 910602864 /nfs/dbraw/zinc/60/28/64/910602864.db2.gz LOSCPEWQQKRLRB-GHMZBOCLSA-N 1 3 291.417 -0.923 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001437260451 910602884 /nfs/dbraw/zinc/60/28/84/910602884.db2.gz LOSCPEWQQKRLRB-GHMZBOCLSA-N 1 3 291.417 -0.923 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437282193 910607445 /nfs/dbraw/zinc/60/74/45/910607445.db2.gz IITRTTFGRXHQDC-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437836697 910761769 /nfs/dbraw/zinc/76/17/69/910761769.db2.gz HEYBCKKRDCGBDX-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437836697 910761773 /nfs/dbraw/zinc/76/17/73/910761773.db2.gz HEYBCKKRDCGBDX-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437836702 910766710 /nfs/dbraw/zinc/76/67/10/910766710.db2.gz HEYBCKKRDCGBDX-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437836702 910766730 /nfs/dbraw/zinc/76/67/30/910766730.db2.gz HEYBCKKRDCGBDX-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001437852818 910771509 /nfs/dbraw/zinc/77/15/09/910771509.db2.gz XIEOEQBUFGHXKP-STQMWFEESA-N 1 3 298.431 -0.149 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001438640839 910940394 /nfs/dbraw/zinc/94/03/94/910940394.db2.gz WBLDEXKXHKLEQM-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001438637482 910942617 /nfs/dbraw/zinc/94/26/17/910942617.db2.gz OPKGHHDLRHULQE-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001438653409 910947305 /nfs/dbraw/zinc/94/73/05/910947305.db2.gz QQFVWZUXGNNREF-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438650593 910948652 /nfs/dbraw/zinc/94/86/52/910948652.db2.gz ZYRSWDFFQXKLNF-JQWIXIFHSA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001438996851 911046068 /nfs/dbraw/zinc/04/60/68/911046068.db2.gz HELRFKNQBQZIHO-CHWSQXEVSA-N 1 3 297.403 -0.673 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439137808 911116464 /nfs/dbraw/zinc/11/64/64/911116464.db2.gz DOBXPPRPXANORK-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439151978 911118446 /nfs/dbraw/zinc/11/84/46/911118446.db2.gz GBTKXUCTUJKFON-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001439151041 911118531 /nfs/dbraw/zinc/11/85/31/911118531.db2.gz VDFRFIQGODHBJU-FRRDWIJNSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001439220127 911142655 /nfs/dbraw/zinc/14/26/55/911142655.db2.gz GGAAAMLQIXVMBT-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439245626 911153123 /nfs/dbraw/zinc/15/31/23/911153123.db2.gz XFESPMYBEUFISX-ZDEQEGDKSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439245626 911153131 /nfs/dbraw/zinc/15/31/31/911153131.db2.gz XFESPMYBEUFISX-ZDEQEGDKSA-N 1 3 296.415 -0.301 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439268028 911161330 /nfs/dbraw/zinc/16/13/30/911161330.db2.gz FXFNCEAKCNMDGR-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439268028 911161340 /nfs/dbraw/zinc/16/13/40/911161340.db2.gz FXFNCEAKCNMDGR-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460984 911215198 /nfs/dbraw/zinc/21/51/98/911215198.db2.gz ZBHOYYSNTVANRS-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001439460984 911215215 /nfs/dbraw/zinc/21/52/15/911215215.db2.gz ZBHOYYSNTVANRS-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001439460984 911215224 /nfs/dbraw/zinc/21/52/24/911215224.db2.gz ZBHOYYSNTVANRS-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CCC1 ZINC001439885806 911308843 /nfs/dbraw/zinc/30/88/43/911308843.db2.gz GLRXOUFTVPIYDQ-CQSZACIVSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001439900903 911314379 /nfs/dbraw/zinc/31/43/79/911314379.db2.gz ISGKMULVKDAVNQ-HNNXBMFYSA-N 1 3 298.431 -0.098 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440013697 911351619 /nfs/dbraw/zinc/35/16/19/911351619.db2.gz VBKSKPUWEGEGSR-OAHLLOKOSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001440300586 911423362 /nfs/dbraw/zinc/42/33/62/911423362.db2.gz GKVNFDSWIVJUQP-XQHKEYJVSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001440374923 911442719 /nfs/dbraw/zinc/44/27/19/911442719.db2.gz LBGIJHHLJQGUML-JSGCOSHPSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001440761477 911504153 /nfs/dbraw/zinc/50/41/53/911504153.db2.gz RNXVPFWBTPGRPV-WXRRBKDZSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001440816650 911516747 /nfs/dbraw/zinc/51/67/47/911516747.db2.gz IGLMJOZLTCHDMA-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841176 911530598 /nfs/dbraw/zinc/53/05/98/911530598.db2.gz NDAPACCLENNHCW-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](NCC(=O)N1CCC1)C1CC1 ZINC001441233809 911631796 /nfs/dbraw/zinc/63/17/96/911631796.db2.gz WPRGBYORKLKONZ-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001441380681 911655893 /nfs/dbraw/zinc/65/58/93/911655893.db2.gz RNXVPFWBTPGRPV-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441581791 911712523 /nfs/dbraw/zinc/71/25/23/911712523.db2.gz BVLMJFNVRVVOEE-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N(C)C ZINC001441595469 911712755 /nfs/dbraw/zinc/71/27/55/911712755.db2.gz QLWPGWXSIGXSDT-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507125609 921685476 /nfs/dbraw/zinc/68/54/76/921685476.db2.gz ITAUUEXTWSGQFA-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507125609 921685482 /nfs/dbraw/zinc/68/54/82/921685482.db2.gz ITAUUEXTWSGQFA-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507126862 921685765 /nfs/dbraw/zinc/68/57/65/921685765.db2.gz OKKYEUATCINMCM-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507126862 921685771 /nfs/dbraw/zinc/68/57/71/921685771.db2.gz OKKYEUATCINMCM-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001441716802 911763810 /nfs/dbraw/zinc/76/38/10/911763810.db2.gz SYBFUPHDFNLJMC-OLZOCXBDSA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H]1CCNC1=O ZINC001507150551 921692576 /nfs/dbraw/zinc/69/25/76/921692576.db2.gz YOSSUSHKZQMFKZ-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001441837798 911829773 /nfs/dbraw/zinc/82/97/73/911829773.db2.gz FIHKAYRBXMLIGB-LBPRGKRZSA-N 1 3 294.403 -0.143 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441943391 911865661 /nfs/dbraw/zinc/86/56/61/911865661.db2.gz SIVXGPVHJAYIBZ-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCNC1=O ZINC001442010987 911893884 /nfs/dbraw/zinc/89/38/84/911893884.db2.gz OXBLQOCMIYGRLC-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442051479 911907996 /nfs/dbraw/zinc/90/79/96/911907996.db2.gz NQGCHDYTTWCPAU-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442051479 911908010 /nfs/dbraw/zinc/90/80/10/911908010.db2.gz NQGCHDYTTWCPAU-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174289 911941948 /nfs/dbraw/zinc/94/19/48/911941948.db2.gz KSGRFTYIPJNBDU-GHMZBOCLSA-N 1 3 284.404 -0.456 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174289 911941968 /nfs/dbraw/zinc/94/19/68/911941968.db2.gz KSGRFTYIPJNBDU-GHMZBOCLSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507337345 921811296 /nfs/dbraw/zinc/81/12/96/921811296.db2.gz CTKYHPNYWANLCP-CHWSQXEVSA-N 1 3 298.431 -0.006 20 0 CBADHO CCC[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001507209364 921745811 /nfs/dbraw/zinc/74/58/11/921745811.db2.gz MXTUAEBWDJORRH-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317453 921808970 /nfs/dbraw/zinc/80/89/70/921808970.db2.gz GXAAKFKMSRJAMR-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479940950 916222806 /nfs/dbraw/zinc/22/28/06/916222806.db2.gz DMLHQWRMKSIXOI-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479940950 916222822 /nfs/dbraw/zinc/22/28/22/916222822.db2.gz DMLHQWRMKSIXOI-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001480478489 916430411 /nfs/dbraw/zinc/43/04/11/916430411.db2.gz ZKGIHEAWPYXIPI-JQWIXIFHSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001480597542 916486238 /nfs/dbraw/zinc/48/62/38/916486238.db2.gz QVZHWZJQPJPTJT-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001480597551 916486471 /nfs/dbraw/zinc/48/64/71/916486471.db2.gz RFTRFMJXVHDRIB-LBPRGKRZSA-N 1 3 299.419 -0.554 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001480638911 916506633 /nfs/dbraw/zinc/50/66/33/916506633.db2.gz XLOKUSFEHNSMCN-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480665721 916514368 /nfs/dbraw/zinc/51/43/68/916514368.db2.gz LTDOCIJGQRJTIR-NSHDSACASA-N 1 3 293.371 -0.474 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481228644 916778755 /nfs/dbraw/zinc/77/87/55/916778755.db2.gz HHJZCSQUAUERHW-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481228644 916778769 /nfs/dbraw/zinc/77/87/69/916778769.db2.gz HHJZCSQUAUERHW-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N1CCC1)[NH+](C)C ZINC001481243192 916785388 /nfs/dbraw/zinc/78/53/88/916785388.db2.gz IPJWWJGXNUDANJ-AWEZNQCLSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CN(C)C1CCC1 ZINC001481240729 916786225 /nfs/dbraw/zinc/78/62/25/916786225.db2.gz VWAPMVGYZWMUIJ-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCNCC(=O)N1CCC1)C(=O)CCC[NH+](C)C ZINC001481272860 916798846 /nfs/dbraw/zinc/79/88/46/916798846.db2.gz LGPWMKZTWXONFD-UHFFFAOYSA-N 1 3 284.404 -0.392 20 0 CBADHO CC(C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481280857 916803674 /nfs/dbraw/zinc/80/36/74/916803674.db2.gz YXCRVMDYAWYJLR-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481280857 916803693 /nfs/dbraw/zinc/80/36/93/916803693.db2.gz YXCRVMDYAWYJLR-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001481279734 916805217 /nfs/dbraw/zinc/80/52/17/916805217.db2.gz KGASXUAAZXESPP-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001481478712 916843700 /nfs/dbraw/zinc/84/37/00/916843700.db2.gz AOGSXSROFCDLAK-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001481478712 916843704 /nfs/dbraw/zinc/84/37/04/916843704.db2.gz AOGSXSROFCDLAK-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001481478713 916843908 /nfs/dbraw/zinc/84/39/08/916843908.db2.gz AOGSXSROFCDLAK-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001481478713 916843922 /nfs/dbraw/zinc/84/39/22/916843922.db2.gz AOGSXSROFCDLAK-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC ZINC001481868471 917010613 /nfs/dbraw/zinc/01/06/13/917010613.db2.gz FVQWJEIKQPBFEI-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001481870498 917012568 /nfs/dbraw/zinc/01/25/68/917012568.db2.gz MYRLJZPCIDDRQM-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001481870498 917012580 /nfs/dbraw/zinc/01/25/80/917012580.db2.gz MYRLJZPCIDDRQM-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001481874166 917012887 /nfs/dbraw/zinc/01/28/87/917012887.db2.gz FFLBWMOIZVXXJY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001481874166 917012899 /nfs/dbraw/zinc/01/28/99/917012899.db2.gz FFLBWMOIZVXXJY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001482026272 917034097 /nfs/dbraw/zinc/03/40/97/917034097.db2.gz HYLRNKSMZFKLCE-HAQNSBGRSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](C[NH2+]CCO)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482290590 917119054 /nfs/dbraw/zinc/11/90/54/917119054.db2.gz ABFPKPOJOXQTTF-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001482326033 917127357 /nfs/dbraw/zinc/12/73/57/917127357.db2.gz OTYNTCQTCGHHPJ-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001482840644 917308594 /nfs/dbraw/zinc/30/85/94/917308594.db2.gz YCOUDFUPFQXOJX-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482844361 917309512 /nfs/dbraw/zinc/30/95/12/917309512.db2.gz LRHCNAMAERPKTC-YPMHNXCESA-N 1 3 286.420 -0.197 20 0 CBADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482844360 917310832 /nfs/dbraw/zinc/31/08/32/917310832.db2.gz LRHCNAMAERPKTC-AAEUAGOBSA-N 1 3 286.420 -0.197 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053196 917392555 /nfs/dbraw/zinc/39/25/55/917392555.db2.gz CFFYOOFTXQTMAF-DGMVEKRQSA-N 1 3 284.404 -0.323 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053200 917393088 /nfs/dbraw/zinc/39/30/88/917393088.db2.gz CFFYOOFTXQTMAF-SYTKJHMZSA-N 1 3 284.404 -0.323 20 0 CBADHO C[C@H](C[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001483135945 917430382 /nfs/dbraw/zinc/43/03/82/917430382.db2.gz XDXQMXGCCQDBBV-GFCCVEGCSA-N 1 3 294.403 -0.143 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483162537 917444742 /nfs/dbraw/zinc/44/47/42/917444742.db2.gz HLVKLACAQGGRES-ZJUUUORDSA-N 1 3 258.366 -0.833 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001483162489 917445654 /nfs/dbraw/zinc/44/56/54/917445654.db2.gz FVHKZRULMZYGRS-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483192980 917458446 /nfs/dbraw/zinc/45/84/46/917458446.db2.gz MYGPNTARRQFAIK-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483192980 917458453 /nfs/dbraw/zinc/45/84/53/917458453.db2.gz MYGPNTARRQFAIK-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483184584 917459017 /nfs/dbraw/zinc/45/90/17/917459017.db2.gz RDOZKUVWJKGJKG-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483184584 917459022 /nfs/dbraw/zinc/45/90/22/917459022.db2.gz RDOZKUVWJKGJKG-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001483235175 917487698 /nfs/dbraw/zinc/48/76/98/917487698.db2.gz DFUUVUPKVOOSCD-VIFPVBQESA-N 1 3 256.350 -0.950 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483285007 917503346 /nfs/dbraw/zinc/50/33/46/917503346.db2.gz XUEXBLWQYSTPLZ-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483297022 917508939 /nfs/dbraw/zinc/50/89/39/917508939.db2.gz VGZAXBWHXGMGDV-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293606 917510043 /nfs/dbraw/zinc/51/00/43/917510043.db2.gz HVXPBSLKSVYJOT-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483293606 917510051 /nfs/dbraw/zinc/51/00/51/917510051.db2.gz HVXPBSLKSVYJOT-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2CNCC(N)=O)CC1 ZINC001483946782 917711421 /nfs/dbraw/zinc/71/14/21/917711421.db2.gz SQGMLDQTCXRKKY-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC)C1)N(C)C ZINC001484238882 917786913 /nfs/dbraw/zinc/78/69/13/917786913.db2.gz ZNSDAURTEIOIOF-WCQYABFASA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC)C1)N(C)C ZINC001484238882 917786927 /nfs/dbraw/zinc/78/69/27/917786927.db2.gz ZNSDAURTEIOIOF-WCQYABFASA-N 1 3 257.378 -0.101 20 0 CBADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+]CCO)CC2)CCC1 ZINC001484954160 917970037 /nfs/dbraw/zinc/97/00/37/917970037.db2.gz HVUASEAZAUDONG-UHFFFAOYSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCO ZINC001485343594 918078031 /nfs/dbraw/zinc/07/80/31/918078031.db2.gz HMINFGZVTQOZMP-NSHDSACASA-N 1 3 257.378 -0.243 20 0 CBADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471137 918125323 /nfs/dbraw/zinc/12/53/23/918125323.db2.gz CZGSUEWIELLTHY-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471137 918125332 /nfs/dbraw/zinc/12/53/32/918125332.db2.gz CZGSUEWIELLTHY-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471141 918127306 /nfs/dbraw/zinc/12/73/06/918127306.db2.gz CZGSUEWIELLTHY-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471141 918127329 /nfs/dbraw/zinc/12/73/29/918127329.db2.gz CZGSUEWIELLTHY-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC1CC1 ZINC001485855548 918209145 /nfs/dbraw/zinc/20/91/45/918209145.db2.gz LVOBEORUKSHDPZ-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001485919702 918228447 /nfs/dbraw/zinc/22/84/47/918228447.db2.gz OAUDDVGVBHKQDQ-UWVGGRQHSA-N 1 3 258.366 -0.752 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001485960359 918241655 /nfs/dbraw/zinc/24/16/55/918241655.db2.gz FHQSBOURCFOVTJ-GFCCVEGCSA-N 1 3 286.420 -0.149 20 0 CBADHO COCCN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053287 918346169 /nfs/dbraw/zinc/34/61/69/918346169.db2.gz XUURCQGFTDLOKY-RYUDHWBXSA-N 1 3 273.377 -0.959 20 0 CBADHO COCCN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053287 918346182 /nfs/dbraw/zinc/34/61/82/918346182.db2.gz XUURCQGFTDLOKY-RYUDHWBXSA-N 1 3 273.377 -0.959 20 0 CBADHO CC(C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001486300485 918417152 /nfs/dbraw/zinc/41/71/52/918417152.db2.gz CZCORWXFDRSXMN-NSHDSACASA-N 1 3 254.334 -0.231 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001488857946 918774196 /nfs/dbraw/zinc/77/41/96/918774196.db2.gz GKVNFDSWIVJUQP-FDYHWXHSSA-N 1 3 296.415 -0.314 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001488871753 918775363 /nfs/dbraw/zinc/77/53/63/918775363.db2.gz FDIIRQDUWSZPSR-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271765 918886751 /nfs/dbraw/zinc/88/67/51/918886751.db2.gz OGKVYXBVQLNHAO-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO NC(=O)CN[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663997 918955168 /nfs/dbraw/zinc/95/51/68/918955168.db2.gz BVXYPHIUFHUOQO-QWHCGFSZSA-N 1 3 294.399 -0.702 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C1CC1)N(C)C ZINC001490713706 918963643 /nfs/dbraw/zinc/96/36/43/918963643.db2.gz OLAHLUIYNVKVBO-NEPJUHHUSA-N 1 3 257.378 -0.197 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001491186341 919073912 /nfs/dbraw/zinc/07/39/12/919073912.db2.gz MUHIONRHKLWGMC-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001491335584 919116673 /nfs/dbraw/zinc/11/66/73/919116673.db2.gz NFNMJRZEKXMPNY-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001491335584 919116677 /nfs/dbraw/zinc/11/66/77/919116677.db2.gz NFNMJRZEKXMPNY-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCO ZINC001491455453 919170127 /nfs/dbraw/zinc/17/01/27/919170127.db2.gz RFMWAFYJIMSUIB-RYUDHWBXSA-N 1 3 257.378 -0.054 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001491502894 919185256 /nfs/dbraw/zinc/18/52/56/919185256.db2.gz CDJHTKOSOSIVEL-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001491502894 919185263 /nfs/dbraw/zinc/18/52/63/919185263.db2.gz CDJHTKOSOSIVEL-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491635970 919238257 /nfs/dbraw/zinc/23/82/57/919238257.db2.gz CKFKISDYZYNVCP-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001491635970 919238272 /nfs/dbraw/zinc/23/82/72/919238272.db2.gz CKFKISDYZYNVCP-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671652 919247661 /nfs/dbraw/zinc/24/76/61/919247661.db2.gz BMZHEBQQDDTNPF-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001491671652 919247679 /nfs/dbraw/zinc/24/76/79/919247679.db2.gz BMZHEBQQDDTNPF-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672790 919249952 /nfs/dbraw/zinc/24/99/52/919249952.db2.gz JCKDACJDAOHRQJ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001491672790 919249962 /nfs/dbraw/zinc/24/99/62/919249962.db2.gz JCKDACJDAOHRQJ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491672253 919250347 /nfs/dbraw/zinc/25/03/47/919250347.db2.gz GBMWBZPRAPKVQT-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491672253 919250356 /nfs/dbraw/zinc/25/03/56/919250356.db2.gz GBMWBZPRAPKVQT-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001491674239 919250669 /nfs/dbraw/zinc/25/06/69/919250669.db2.gz SXJCKFGGEMWUNS-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001491674239 919250684 /nfs/dbraw/zinc/25/06/84/919250684.db2.gz SXJCKFGGEMWUNS-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001491684562 919251844 /nfs/dbraw/zinc/25/18/44/919251844.db2.gz WOCUVFKYZPVXLV-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491849112 919292083 /nfs/dbraw/zinc/29/20/83/919292083.db2.gz DKRSMINBQSECIW-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO O=C(NCCN(CCO)C1CC1)C12CC[NH+](CC1)C2 ZINC001493435814 919547506 /nfs/dbraw/zinc/54/75/06/919547506.db2.gz MPHQJYPYGCLZBI-UHFFFAOYSA-N 1 3 267.373 -0.345 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001493578333 919585076 /nfs/dbraw/zinc/58/50/76/919585076.db2.gz IHNCASGZFPLXCZ-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762112 919615389 /nfs/dbraw/zinc/61/53/89/919615389.db2.gz QAUYOPVAFSRHIB-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493762112 919615395 /nfs/dbraw/zinc/61/53/95/919615395.db2.gz QAUYOPVAFSRHIB-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CC[NH2+]CCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001493793905 919619964 /nfs/dbraw/zinc/61/99/64/919619964.db2.gz OOHRQAZMCUCNJZ-UHFFFAOYSA-N 1 3 296.415 -0.247 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001493769782 919621510 /nfs/dbraw/zinc/62/15/10/919621510.db2.gz RNBPXBQSXLKHRC-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170575 919665540 /nfs/dbraw/zinc/66/55/40/919665540.db2.gz DHELAZUIGQZYGK-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001494170575 919665550 /nfs/dbraw/zinc/66/55/50/919665550.db2.gz DHELAZUIGQZYGK-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCO ZINC001494995511 919836269 /nfs/dbraw/zinc/83/62/69/919836269.db2.gz VKNCWBKKRLHHNG-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(N)=O ZINC001495049733 919853017 /nfs/dbraw/zinc/85/30/17/919853017.db2.gz LOVBGUVZVVUBDW-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH+]1CCC(C(=O)NC2(CNCC(N)=O)CCCC2)CC1 ZINC001495187505 919875242 /nfs/dbraw/zinc/87/52/42/919875242.db2.gz RDFABWCVZZGVEH-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150276 920033252 /nfs/dbraw/zinc/03/32/52/920033252.db2.gz PPNJFLZMSNLSAK-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001496208960 920042235 /nfs/dbraw/zinc/04/22/35/920042235.db2.gz ICGZCWXXYCLLOG-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001496208957 920044742 /nfs/dbraw/zinc/04/47/42/920044742.db2.gz ICGZCWXXYCLLOG-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230430 920045700 /nfs/dbraw/zinc/04/57/00/920045700.db2.gz WLJQZFHJRKZSSH-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496230430 920045709 /nfs/dbraw/zinc/04/57/09/920045709.db2.gz WLJQZFHJRKZSSH-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001496599590 920092853 /nfs/dbraw/zinc/09/28/53/920092853.db2.gz RTMMPKCKYKYXRL-RWMBFGLXSA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001496599590 920092865 /nfs/dbraw/zinc/09/28/65/920092865.db2.gz RTMMPKCKYKYXRL-RWMBFGLXSA-N 1 3 298.431 -0.068 20 0 CBADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001497362765 920293314 /nfs/dbraw/zinc/29/33/14/920293314.db2.gz UEWPZWMBGNRGSW-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1CCCN1C ZINC001497363045 920295202 /nfs/dbraw/zinc/29/52/02/920295202.db2.gz YEGDGKMSKMLYIT-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497600667 920351091 /nfs/dbraw/zinc/35/10/91/920351091.db2.gz GVIPRERZVCGRSQ-NAISLTENSA-N 1 3 298.431 -0.031 20 0 CBADHO C[C@@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001497650079 920360079 /nfs/dbraw/zinc/36/00/79/920360079.db2.gz NNPWIWQCXZOUFU-OPVGQWETSA-N 1 3 255.362 -0.277 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001497836272 920407456 /nfs/dbraw/zinc/40/74/56/920407456.db2.gz UXEJTPPDGXPVLF-GRYCIOLGSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+](C)C ZINC001497895297 920418805 /nfs/dbraw/zinc/41/88/05/920418805.db2.gz OFJHNOCPPXPGDE-GHMZBOCLSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001497955056 920430306 /nfs/dbraw/zinc/43/03/06/920430306.db2.gz QNRYOVHTRZMCBO-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001497955056 920430315 /nfs/dbraw/zinc/43/03/15/920430315.db2.gz QNRYOVHTRZMCBO-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497992948 920432990 /nfs/dbraw/zinc/43/29/90/920432990.db2.gz JZESWQRLFZXWAK-MNOVXSKESA-N 1 3 298.387 -0.774 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001498061422 920468060 /nfs/dbraw/zinc/46/80/60/920468060.db2.gz YOFWWMXCEXODDG-NWDGAFQWSA-N 1 3 282.392 -0.287 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161125 920507514 /nfs/dbraw/zinc/50/75/14/920507514.db2.gz RYRICKGOYRSYJX-WDEREUQCSA-N 1 3 280.372 -0.935 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001499427426 920748165 /nfs/dbraw/zinc/74/81/65/920748165.db2.gz ZWLUXZKXPGHDSJ-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501088244 920946207 /nfs/dbraw/zinc/94/62/07/920946207.db2.gz YAFBSRPPGVEHRR-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001507337347 921813169 /nfs/dbraw/zinc/81/31/69/921813169.db2.gz CTKYHPNYWANLCP-OLZOCXBDSA-N 1 3 298.431 -0.006 20 0 CBADHO C[C@@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442940 921823715 /nfs/dbraw/zinc/82/37/15/921823715.db2.gz KXAIXGHEKMSDJA-MNOVXSKESA-N 1 3 284.404 -0.362 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001508028370 921904697 /nfs/dbraw/zinc/90/46/97/921904697.db2.gz BJYZNJBTYSWEBN-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001508028370 921904706 /nfs/dbraw/zinc/90/47/06/921904706.db2.gz BJYZNJBTYSWEBN-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001508016215 921905840 /nfs/dbraw/zinc/90/58/40/921905840.db2.gz OJZWYLDMHFYPOO-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO COCCN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](C)O ZINC001508055864 921910254 /nfs/dbraw/zinc/91/02/54/921910254.db2.gz NHTKEWYUAICRSE-CYBMUJFWSA-N 1 3 299.415 -0.472 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001514838209 922222052 /nfs/dbraw/zinc/22/20/52/922222052.db2.gz HWXSZYYCIYKNKY-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001515318447 922230998 /nfs/dbraw/zinc/23/09/98/922230998.db2.gz LSZNZNBAMPLOTM-SRVKXCTJSA-N 1 3 255.362 -0.219 20 0 CBADHO COCCN(C)CCNC(=O)C1=CCC[NH2+]CC1 ZINC001521470627 922358015 /nfs/dbraw/zinc/35/80/15/922358015.db2.gz SKECTJKQSKDEJE-UHFFFAOYSA-N 1 3 255.362 -0.009 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001521513420 922364849 /nfs/dbraw/zinc/36/48/49/922364849.db2.gz VKGMCJIJHGEPON-WCQYABFASA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](C)CN1 ZINC001521513925 922366702 /nfs/dbraw/zinc/36/67/02/922366702.db2.gz ZSMJPMDCAYCQRP-NQBHXWOUSA-N 1 3 255.362 -0.300 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001521566572 922370182 /nfs/dbraw/zinc/37/01/82/922370182.db2.gz ODOQBQRSXKJEPG-AGIUHOORSA-N 1 3 269.389 -0.122 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001521971089 922395336 /nfs/dbraw/zinc/39/53/36/922395336.db2.gz CQALIUJOZPFINV-LPEHRKFASA-N 1 3 257.309 -0.819 20 0 CBADHO CCN(CC)CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522657770 922498910 /nfs/dbraw/zinc/49/89/10/922498910.db2.gz UFUOLQOAMXMDHK-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522657770 922498917 /nfs/dbraw/zinc/49/89/17/922498917.db2.gz UFUOLQOAMXMDHK-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001522705067 922506168 /nfs/dbraw/zinc/50/61/68/922506168.db2.gz DEPNTMOBQFSTGK-SECBINFHSA-N 1 3 251.334 -0.312 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1CNCCO1)C2 ZINC001523551759 922600589 /nfs/dbraw/zinc/60/05/89/922600589.db2.gz UZRXLRYGOZXPMB-WHOHXGKFSA-N 1 3 253.346 -0.297 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548549843 923376557 /nfs/dbraw/zinc/37/65/57/923376557.db2.gz MZSOXCSCKNDGHX-DYEKYZERSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCNC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001548556213 923378393 /nfs/dbraw/zinc/37/83/93/923378393.db2.gz FMAKAACBQSTZGF-WCBMZHEXSA-N 1 3 295.412 -0.199 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001548555146 923378519 /nfs/dbraw/zinc/37/85/19/923378519.db2.gz KBUHORRRJKKZJB-ZIAGYGMSSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CCNC[C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001548554733 923379417 /nfs/dbraw/zinc/37/94/17/923379417.db2.gz JQISHXGXWYGWKV-RYUDHWBXSA-N 1 3 252.362 -0.757 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001548557489 923380585 /nfs/dbraw/zinc/38/05/85/923380585.db2.gz WHSBSJDSCQXBIX-ZIAGYGMSSA-N 1 3 280.416 -0.262 20 0 CBADHO CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1NCCc2ccccc21 ZINC001548558682 923381638 /nfs/dbraw/zinc/38/16/38/923381638.db2.gz PRPJMUOSCXEWEV-HUUCEWRRSA-N 1 3 288.395 -0.107 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC001548558254 923383057 /nfs/dbraw/zinc/38/30/57/923383057.db2.gz OCQIKHKMJRTMKQ-NEPJUHHUSA-N 1 3 268.405 -0.216 20 0 CBADHO COC[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCCN1 ZINC001548569544 923390190 /nfs/dbraw/zinc/39/01/90/923390190.db2.gz PHQPOVQHNLBXMX-FZMZJTMJSA-N 1 3 283.372 -0.608 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548570189 923395513 /nfs/dbraw/zinc/39/55/13/923395513.db2.gz TYMWCPJOJHJOMF-OLZOCXBDSA-N 1 3 275.352 -0.197 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC001548575305 923400872 /nfs/dbraw/zinc/40/08/72/923400872.db2.gz AWLWLCJZHONIFS-JSGCOSHPSA-N 1 3 277.368 -0.088 20 0 CBADHO COC[C@@]1(C(=O)N2CC3(CNC3)OC(C)(C)C2)CC[NH2+]C1 ZINC001548579259 923402379 /nfs/dbraw/zinc/40/23/79/923402379.db2.gz RREPCFAXIHEKRA-CQSZACIVSA-N 1 3 297.399 -0.408 20 0 CBADHO C[NH2+]C1CC(C(=O)N2CC3(CNC3)OC(C)(C)C2)C1 ZINC001548576317 923402735 /nfs/dbraw/zinc/40/27/35/923402735.db2.gz OSWGVXJQZJVBOS-UHFFFAOYSA-N 1 3 267.373 -0.036 20 0 CBADHO CC1(C)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC2(CNC2)O1 ZINC001548576533 923404084 /nfs/dbraw/zinc/40/40/84/923404084.db2.gz RATPJSFGHZNRRQ-AWEZNQCLSA-N 1 3 297.399 -0.530 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548580457 923404199 /nfs/dbraw/zinc/40/41/99/923404199.db2.gz YCVYOPSEOAOQMW-GHMZBOCLSA-N 1 3 267.373 -0.036 20 0 CBADHO COC[C@@]1(C(=O)N2CCC3(CC2)CNCCO3)CC[NH2+]C1 ZINC001548586753 923406453 /nfs/dbraw/zinc/40/64/53/923406453.db2.gz SGNHIWHIGQRHFG-CQSZACIVSA-N 1 3 297.399 -0.407 20 0 CBADHO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679480 923440678 /nfs/dbraw/zinc/44/06/78/923440678.db2.gz RGPSEXPCSOVYQV-OLZOCXBDSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679480 923440689 /nfs/dbraw/zinc/44/06/89/923440689.db2.gz RGPSEXPCSOVYQV-OLZOCXBDSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548711054 923467358 /nfs/dbraw/zinc/46/73/58/923467358.db2.gz QMCFQJXUIHWODX-MJBXVCDLSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548711054 923467361 /nfs/dbraw/zinc/46/73/61/923467361.db2.gz QMCFQJXUIHWODX-MJBXVCDLSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750069 923494640 /nfs/dbraw/zinc/49/46/40/923494640.db2.gz MJBNSMAQOHNSDD-GXTWGEPZSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)C1 ZINC001548750071 923495162 /nfs/dbraw/zinc/49/51/62/923495162.db2.gz MJBNSMAQOHNSDD-OCCSQVGLSA-N 1 3 269.389 -0.147 20 0 CBADHO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCNCC1 ZINC001549043469 923527412 /nfs/dbraw/zinc/52/74/12/923527412.db2.gz KBOOSDPFQJJBFL-KBPBESRZSA-N 1 3 280.416 -0.118 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047134 923543888 /nfs/dbraw/zinc/54/38/88/923543888.db2.gz KXPALBGCJDHOAN-PWSUYJOCSA-N 1 3 280.376 -0.244 20 0 CBADHO CC(C)(C[NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047137 923544066 /nfs/dbraw/zinc/54/40/66/923544066.db2.gz KYQNWKWKSJOBIY-NSHDSACASA-N 1 3 280.376 -0.115 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047347 923544938 /nfs/dbraw/zinc/54/49/38/923544938.db2.gz RKGGGIHSZVLMKF-CYZMBNFOSA-N 1 3 292.387 -0.102 20 0 CBADHO C[C@@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001549047689 923547540 /nfs/dbraw/zinc/54/75/40/923547540.db2.gz WKRSZCMKHSVKTC-TZMCWYRMSA-N 1 3 292.387 -0.100 20 0 CBADHO N[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@@H]1F ZINC001549211087 923570796 /nfs/dbraw/zinc/57/07/96/923570796.db2.gz TVPRCXUKJDNPNE-OUAUKWLOSA-N 1 3 274.340 -0.554 20 0 CBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549295123 923585213 /nfs/dbraw/zinc/58/52/13/923585213.db2.gz FCAQHQUVJULAHZ-UMSGYPCISA-N 1 3 267.373 -0.158 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001549298862 923587282 /nfs/dbraw/zinc/58/72/82/923587282.db2.gz WMHYAMSECLTYNW-DMLGSKKGSA-N 1 3 268.361 -0.964 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001550074017 923666450 /nfs/dbraw/zinc/66/64/50/923666450.db2.gz WHLSLBFBYJMZGA-ZYHUDNBSSA-N 1 3 282.388 -0.513 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001550074016 923667364 /nfs/dbraw/zinc/66/73/64/923667364.db2.gz WHLSLBFBYJMZGA-CMPLNLGQSA-N 1 3 282.388 -0.513 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084683 923669218 /nfs/dbraw/zinc/66/92/18/923669218.db2.gz KCNRHIKJYZSBCF-RYUDHWBXSA-N 1 3 267.373 -0.129 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550081006 923670784 /nfs/dbraw/zinc/67/07/84/923670784.db2.gz JPCGUSHRUVKIQV-LLVKDONJSA-N 1 3 277.372 -0.002 20 0 CBADHO CCC[C@@H](N)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088490 923675240 /nfs/dbraw/zinc/67/52/40/923675240.db2.gz PUXAPKGCSOKIJI-GHMZBOCLSA-N 1 3 266.349 -0.444 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096098 923677314 /nfs/dbraw/zinc/67/73/14/923677314.db2.gz VTRRNYGJHKZMIP-GXSJLCMTSA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550094860 923678963 /nfs/dbraw/zinc/67/89/63/923678963.db2.gz AGHIVKZEHHCJEY-SKDRFNHKSA-N 1 3 278.360 -0.349 20 0 CBADHO CC(C)[NH2+]CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096596 923679280 /nfs/dbraw/zinc/67/92/80/923679280.db2.gz MRMCOJBLWOGKFZ-LLVKDONJSA-N 1 3 266.349 -0.492 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096298 923679707 /nfs/dbraw/zinc/67/97/07/923679707.db2.gz JNJLNFSIAFXLIQ-XQQFMLRXSA-N 1 3 292.387 -0.102 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104753 923684541 /nfs/dbraw/zinc/68/45/41/923684541.db2.gz AFDYTSXBLDAKIY-CMGMYYOESA-N 1 3 296.415 -0.267 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550183992 923708014 /nfs/dbraw/zinc/70/80/14/923708014.db2.gz PPDNBOCCNCTHLW-RWMBFGLXSA-N 1 3 285.388 -0.295 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[C@@H]2[NH3+])CC1 ZINC001550204868 923709852 /nfs/dbraw/zinc/70/98/52/923709852.db2.gz UATYXVKIPQIBLF-RYUDHWBXSA-N 1 3 294.399 -0.334 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550205772 923711162 /nfs/dbraw/zinc/71/11/62/923711162.db2.gz YEHBHXKURCEGCW-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)[C@]12CN(CC(C)(C)[NH3+])C[C@@H]1COCC2 ZINC001551408411 923777258 /nfs/dbraw/zinc/77/72/58/923777258.db2.gz KKBWGHYPCFPFBH-ZWNOBZJWSA-N 1 3 255.362 -0.192 20 0 CBADHO CNC(=O)[C@@]12CN(CC(C)(C)[NH3+])C[C@@H]1COCC2 ZINC001551408410 923777949 /nfs/dbraw/zinc/77/79/49/923777949.db2.gz KKBWGHYPCFPFBH-MFKMUULPSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199762 923855601 /nfs/dbraw/zinc/85/56/01/923855601.db2.gz DASQMPGYHLQMAI-REJLFOLJSA-N 1 3 279.384 -0.179 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201995 923859435 /nfs/dbraw/zinc/85/94/35/923859435.db2.gz YZBMLYSFEJYXCR-KYEXWDHISA-N 1 3 295.383 -0.798 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201994 923860023 /nfs/dbraw/zinc/86/00/23/923860023.db2.gz YZBMLYSFEJYXCR-BHPKHCPMSA-N 1 3 295.383 -0.798 20 0 CBADHO CC1(C)CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCN1 ZINC001552205160 923865677 /nfs/dbraw/zinc/86/56/77/923865677.db2.gz ZIPJPRXKNKNKQQ-ZWNOBZJWSA-N 1 3 253.346 -0.567 20 0 CBADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[C@@H]1F ZINC001552218703 923870604 /nfs/dbraw/zinc/87/06/04/923870604.db2.gz WDBNYAOXEVIRAT-GUDRVLHUSA-N 1 3 257.309 -0.880 20 0 CBADHO N[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[C@@H]1F ZINC001552436042 923904397 /nfs/dbraw/zinc/90/43/97/923904397.db2.gz VJFJNZXNUWSULR-INTQDDNPSA-N 1 3 281.335 -0.002 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001552443117 923909717 /nfs/dbraw/zinc/90/97/17/923909717.db2.gz ZMUNGKMKIJBJLX-VHSXEESVSA-N 1 3 279.344 -0.795 20 0 CBADHO [NH3+][C@H]1CN(C(=O)c2cccc3c2CNC3)C[C@@H]1n1ccnn1 ZINC001552678955 923913144 /nfs/dbraw/zinc/91/31/44/923913144.db2.gz AKIDORJUORBOMN-KBPBESRZSA-N 1 3 298.350 -0.094 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCN1 ZINC001553415665 923991020 /nfs/dbraw/zinc/99/10/20/923991020.db2.gz ZHOJNDLURUQONM-GARJFASQSA-N 1 3 253.346 -0.284 20 0 CBADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC001553447675 924001978 /nfs/dbraw/zinc/00/19/78/924001978.db2.gz VRDQQFLBLQTPCH-CXTNEJHOSA-N 1 3 294.399 -0.018 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC12CCC2 ZINC001553500955 924012060 /nfs/dbraw/zinc/01/20/60/924012060.db2.gz DWOHQBBVOBWRFF-WDEREUQCSA-N 1 3 268.361 -0.502 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553499386 924012605 /nfs/dbraw/zinc/01/26/05/924012605.db2.gz BCHDGNFCFQNKSG-AVGNSLFASA-N 1 3 284.404 -0.036 20 0 CBADHO CC(C)([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553499093 924013064 /nfs/dbraw/zinc/01/30/64/924013064.db2.gz YFRJQWFFHRSLLW-NWDGAFQWSA-N 1 3 284.404 -0.036 20 0 CBADHO C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553497927 924014149 /nfs/dbraw/zinc/01/41/49/924014149.db2.gz RAMUJKXGEDHQQN-IJLUTSLNSA-N 1 3 270.377 -0.426 20 0 CBADHO [NH3+][C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC1 ZINC001553497442 924014714 /nfs/dbraw/zinc/01/47/14/924014714.db2.gz PUUQNUWJTDJNMK-MGPQQGTHSA-N 1 3 296.415 -0.036 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553501935 924015729 /nfs/dbraw/zinc/01/57/29/924015729.db2.gz IUTDGPVLTUJNCG-VXGBXAGGSA-N 1 3 298.387 -0.957 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553502028 924016540 /nfs/dbraw/zinc/01/65/40/924016540.db2.gz JJEBIGFWYKANAL-AVGNSLFASA-N 1 3 282.388 -0.242 20 0 CBADHO [NH3+]C1CC(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553513000 924019513 /nfs/dbraw/zinc/01/95/13/924019513.db2.gz KTQXBTRUCFIQBM-CLRIEMFWSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553517616 924022155 /nfs/dbraw/zinc/02/21/55/924022155.db2.gz MMNXDVNNEQHWGZ-FQUUOJAGSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553527098 924024717 /nfs/dbraw/zinc/02/47/17/924024717.db2.gz JJXZOFVSMIBBPY-RFGFWPKPSA-N 1 3 296.415 -0.165 20 0 CBADHO [NH3+]CC1CC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553537181 924028435 /nfs/dbraw/zinc/02/84/35/924028435.db2.gz FUGUJBNRVSXLLO-PQAZSJQKSA-N 1 3 296.415 -0.036 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CN3CCC2CC3)C1 ZINC001553632017 924032498 /nfs/dbraw/zinc/03/24/98/924032498.db2.gz BGJZVMYPDKTQEQ-CQSZACIVSA-N 1 3 280.416 -0.310 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CN3CCC2CC3)C1 ZINC001553632017 924032509 /nfs/dbraw/zinc/03/25/09/924032509.db2.gz BGJZVMYPDKTQEQ-CQSZACIVSA-N 1 3 280.416 -0.310 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337413043 214066115 /nfs/dbraw/zinc/06/61/15/214066115.db2.gz ODIBBGVFLHVPFS-AAEUAGOBSA-N 1 3 272.393 -0.308 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC(C)(C)C[NH3+])CC1=O ZINC000262520743 282102269 /nfs/dbraw/zinc/10/22/69/282102269.db2.gz WGUNIDWFZMMVRE-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1CC1 ZINC000337724691 214235950 /nfs/dbraw/zinc/23/59/50/214235950.db2.gz LIVCPOWSGORUCJ-ZDUSSCGKSA-N 1 3 272.393 -0.308 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000125413580 187183813 /nfs/dbraw/zinc/18/38/13/187183813.db2.gz KGDFGEQGPIRMFC-GARJFASQSA-N 1 3 266.345 -0.403 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423235468 282182814 /nfs/dbraw/zinc/18/28/14/282182814.db2.gz NBWJNCJOOYGQMM-NWDGAFQWSA-N 1 3 282.388 -0.511 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000126162547 187222187 /nfs/dbraw/zinc/22/21/87/187222187.db2.gz CLUWKYULPZLMJA-PWSUYJOCSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000126162547 187222189 /nfs/dbraw/zinc/22/21/89/187222189.db2.gz CLUWKYULPZLMJA-PWSUYJOCSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000126410068 187237530 /nfs/dbraw/zinc/23/75/30/187237530.db2.gz NRVRLNFGLPHSTO-AAEUAGOBSA-N 1 3 284.404 -0.362 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000351517809 219113048 /nfs/dbraw/zinc/11/30/48/219113048.db2.gz AVZXKOVFPSDQPX-LLVKDONJSA-N 1 3 268.361 -0.933 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000351516534 219113337 /nfs/dbraw/zinc/11/33/37/219113337.db2.gz GHDQHTHIOBVDHA-NEPJUHHUSA-N 1 3 280.372 -0.839 20 0 CBADHO CCN1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351552443 219123664 /nfs/dbraw/zinc/12/36/64/219123664.db2.gz AOKAJTJHJPDHDH-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCC(N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351553220 219124654 /nfs/dbraw/zinc/12/46/54/219124654.db2.gz AAEUPWOQJYWWDZ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000351556823 219125635 /nfs/dbraw/zinc/12/56/35/219125635.db2.gz HNAWCGKZSBPABA-GRYCIOLGSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000351560098 219126748 /nfs/dbraw/zinc/12/67/48/219126748.db2.gz WBWGTAAUUJRXPC-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000423519156 290805250 /nfs/dbraw/zinc/80/52/50/290805250.db2.gz VGHLSIYXCMZMSO-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CCC(CC)(C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000351994421 219281853 /nfs/dbraw/zinc/28/18/53/219281853.db2.gz MTXNSJYOMMPGSK-LLVKDONJSA-N 1 3 272.393 -0.280 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352003313 219283636 /nfs/dbraw/zinc/28/36/36/219283636.db2.gz LCFQWBFGBLVEKW-YPMHNXCESA-N 1 3 286.420 -0.082 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000339580659 215256180 /nfs/dbraw/zinc/25/61/80/215256180.db2.gz IZUZTHIQEFRYIJ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000339667310 215287922 /nfs/dbraw/zinc/28/79/22/215287922.db2.gz ILNKSYPRLCUDLR-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000091299138 180125913 /nfs/dbraw/zinc/12/59/13/180125913.db2.gz UFGKYXCJHXBKBX-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000091299138 180125914 /nfs/dbraw/zinc/12/59/14/180125914.db2.gz UFGKYXCJHXBKBX-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CCCC[N@H+](C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352095853 219318272 /nfs/dbraw/zinc/31/82/72/219318272.db2.gz BQYQGGGAOCEKIN-CYBMUJFWSA-N 1 3 286.420 -0.066 20 0 CBADHO CCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352095853 219318274 /nfs/dbraw/zinc/31/82/74/219318274.db2.gz BQYQGGGAOCEKIN-CYBMUJFWSA-N 1 3 286.420 -0.066 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424239962 293514117 /nfs/dbraw/zinc/51/41/17/293514117.db2.gz OUMDSYHTORKWSD-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CN1CCOCC1 ZINC000049557256 351494886 /nfs/dbraw/zinc/49/48/86/351494886.db2.gz UFADBTMQKHIKOR-OLZOCXBDSA-N 1 3 259.394 -0.391 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCO)CC2)CC1 ZINC000051758539 351512746 /nfs/dbraw/zinc/51/27/46/351512746.db2.gz YWSDWHYRRCSWEX-UHFFFAOYSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000518186061 260352245 /nfs/dbraw/zinc/35/22/45/260352245.db2.gz YGWHMQUJPWGRIR-MNOVXSKESA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](C(=O)N(C)C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180331 351580752 /nfs/dbraw/zinc/58/07/52/351580752.db2.gz FFUNUVBLCCJMAZ-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CN1CCN(CCCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079519542 351693006 /nfs/dbraw/zinc/69/30/06/351693006.db2.gz TVTQCFNPZCPJNX-AWEZNQCLSA-N 1 3 268.405 -0.118 20 0 CBADHO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091311239 351743865 /nfs/dbraw/zinc/74/38/65/351743865.db2.gz WQWKYKUUBAFXGT-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091311239 351743867 /nfs/dbraw/zinc/74/38/67/351743867.db2.gz WQWKYKUUBAFXGT-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000091668309 351745590 /nfs/dbraw/zinc/74/55/90/351745590.db2.gz PZKHANZTGZKQJC-UTUOFQBUSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000091668070 351745742 /nfs/dbraw/zinc/74/57/42/351745742.db2.gz LITFGCKVBFJIQI-YNEHKIRRSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(CCOCCO)CC[N@H+](C)C1CCN(C)CC1 ZINC000119719689 351835960 /nfs/dbraw/zinc/83/59/60/351835960.db2.gz KXWGYRNLQIXSPX-UHFFFAOYSA-N 1 3 273.421 -0.047 20 0 CBADHO CN(CCOCCO)CC[N@@H+](C)C1CCN(C)CC1 ZINC000119719689 351835963 /nfs/dbraw/zinc/83/59/63/351835963.db2.gz KXWGYRNLQIXSPX-UHFFFAOYSA-N 1 3 273.421 -0.047 20 0 CBADHO CN(C)C[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512075 351813621 /nfs/dbraw/zinc/81/36/21/351813621.db2.gz LLXOHUUJJMJTEH-NSHDSACASA-N 1 3 268.361 -0.188 20 0 CBADHO CN(C)C[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512075 351813623 /nfs/dbraw/zinc/81/36/23/351813623.db2.gz LLXOHUUJJMJTEH-NSHDSACASA-N 1 3 268.361 -0.188 20 0 CBADHO CN1CCN(CCCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000123102605 187071627 /nfs/dbraw/zinc/07/16/27/187071627.db2.gz PHQHZWLXAXQCOY-UHFFFAOYSA-N 1 3 256.394 -0.275 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000126231822 351859451 /nfs/dbraw/zinc/85/94/51/351859451.db2.gz JGMPQSXFLLZTFA-OCCSQVGLSA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000126231822 351859454 /nfs/dbraw/zinc/85/94/54/351859454.db2.gz JGMPQSXFLLZTFA-OCCSQVGLSA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C(=O)NCC[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000135228833 351912773 /nfs/dbraw/zinc/91/27/73/351912773.db2.gz YTCYQONZJCILPP-UWVGGRQHSA-N 1 3 262.375 -0.075 20 0 CBADHO CCCN1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000166586102 351987981 /nfs/dbraw/zinc/98/79/81/351987981.db2.gz HPYBTGLSNBJAAK-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000167404614 351989623 /nfs/dbraw/zinc/98/96/23/351989623.db2.gz AWIKAEDTWUDDCG-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848347 352030920 /nfs/dbraw/zinc/03/09/20/352030920.db2.gz XRRXUZGMWKXNNA-RYUDHWBXSA-N 1 3 294.399 -0.002 20 0 CBADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCN1C ZINC000172848347 352030922 /nfs/dbraw/zinc/03/09/22/352030922.db2.gz XRRXUZGMWKXNNA-RYUDHWBXSA-N 1 3 294.399 -0.002 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC2=CC[NH2+]CC2)CC1=O ZINC000186344086 352126204 /nfs/dbraw/zinc/12/62/04/352126204.db2.gz OBSSVSQRBKQATG-ZDUSSCGKSA-N 1 3 294.399 -0.568 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC1=O ZINC000178753959 352083921 /nfs/dbraw/zinc/08/39/21/352083921.db2.gz 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/nfs/dbraw/zinc/19/61/11/352196111.db2.gz PMMGSIIXIBVVDX-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219036551 352236874 /nfs/dbraw/zinc/23/68/74/352236874.db2.gz MVVNNVWHWDWDTF-MFKMUULPSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219036551 352236878 /nfs/dbraw/zinc/23/68/78/352236878.db2.gz MVVNNVWHWDWDTF-MFKMUULPSA-N 1 3 284.404 -0.315 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392831 352258157 /nfs/dbraw/zinc/25/81/57/352258157.db2.gz ULQBURJLSDKKHO-QJPTWQEYSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392831 352258161 /nfs/dbraw/zinc/25/81/61/352258161.db2.gz ULQBURJLSDKKHO-QJPTWQEYSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCOCCN(C)C)C1 ZINC000234824816 352285158 /nfs/dbraw/zinc/28/51/58/352285158.db2.gz MBFANAQWVNJPPS-WDEREUQCSA-N 1 3 259.350 -0.942 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000236874886 352294984 /nfs/dbraw/zinc/29/49/84/352294984.db2.gz KGCQUUHVGOLQCU-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000236837884 352295194 /nfs/dbraw/zinc/29/51/94/352295194.db2.gz KSFZBYUVRIYRHG-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN1CCN(CCC(=O)NCC[NH2+]CCOC)CC1 ZINC000236844402 352295379 /nfs/dbraw/zinc/29/53/79/352295379.db2.gz COFNJQJDDJEVTO-UHFFFAOYSA-N 1 3 286.420 -0.634 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000236999349 352297016 /nfs/dbraw/zinc/29/70/16/352297016.db2.gz QZDDKTLRIKJWID-JTQLQIEISA-N 1 3 251.334 -0.007 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237084914 352298523 /nfs/dbraw/zinc/29/85/23/352298523.db2.gz IOSUDGLJQBNTMA-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC1=O ZINC000237161058 352300192 /nfs/dbraw/zinc/30/01/92/352300192.db2.gz AGMPSHYLEIJVEF-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC1=O ZINC000237162150 352300199 /nfs/dbraw/zinc/30/01/99/352300199.db2.gz IDWCOHFDXRMCAV-VXGBXAGGSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCCCC[NH3+])CC1=O ZINC000237155530 352300685 /nfs/dbraw/zinc/30/06/85/352300685.db2.gz DANMPGRZGJJJKE-LLVKDONJSA-N 1 3 270.377 -0.748 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000237304427 352303203 /nfs/dbraw/zinc/30/32/03/352303203.db2.gz VHUQVONLZHNYSH-CYBMUJFWSA-N 1 3 265.357 -0.091 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000237351982 352303857 /nfs/dbraw/zinc/30/38/57/352303857.db2.gz WDOBPCKZXKCPKC-QWRGUYRKSA-N 1 3 270.377 -0.893 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000248849946 352356469 /nfs/dbraw/zinc/35/64/69/352356469.db2.gz IZXYSXKZWRPPOM-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000250127665 352371255 /nfs/dbraw/zinc/37/12/55/352371255.db2.gz WLZCDHRLWZABJE-AGIUHOORSA-N 1 3 296.415 -0.489 20 0 CBADHO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250650849 352373235 /nfs/dbraw/zinc/37/32/35/352373235.db2.gz WQWKYKUUBAFXGT-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000250650849 352373237 /nfs/dbraw/zinc/37/32/37/352373237.db2.gz WQWKYKUUBAFXGT-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262566826 352425995 /nfs/dbraw/zinc/42/59/95/352425995.db2.gz YCGVRGSVGDZQPQ-WOPDTQHZSA-N 1 3 255.362 -0.300 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C(C)(C)[NH3+])CC1 ZINC000262663146 352430739 /nfs/dbraw/zinc/43/07/39/352430739.db2.gz ZVEAKKPTTBCYLG-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000262721002 352431502 /nfs/dbraw/zinc/43/15/02/352431502.db2.gz FQVGFYXRBQRQKB-FRRDWIJNSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000263225772 352440133 /nfs/dbraw/zinc/44/01/33/352440133.db2.gz GKTKIZGIMSQYNI-SUHUHFCYSA-N 1 3 296.415 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000263225772 352440139 /nfs/dbraw/zinc/44/01/39/352440139.db2.gz GKTKIZGIMSQYNI-SUHUHFCYSA-N 1 3 296.415 -0.315 20 0 CBADHO COCC[N@H+](C)C[C@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000312676941 352775532 /nfs/dbraw/zinc/77/55/32/352775532.db2.gz CJAMOGOUJJZOJR-AAEUAGOBSA-N 1 3 285.392 -0.127 20 0 CBADHO COCC[N@@H+](C)C[C@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000312676941 352775533 /nfs/dbraw/zinc/77/55/33/352775533.db2.gz CJAMOGOUJJZOJR-AAEUAGOBSA-N 1 3 285.392 -0.127 20 0 CBADHO COCC[N@H+](C)C[C@@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000312676942 352775839 /nfs/dbraw/zinc/77/58/39/352775839.db2.gz CJAMOGOUJJZOJR-DGCLKSJQSA-N 1 3 285.392 -0.127 20 0 CBADHO COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000312676942 352775841 /nfs/dbraw/zinc/77/58/41/352775841.db2.gz CJAMOGOUJJZOJR-DGCLKSJQSA-N 1 3 285.392 -0.127 20 0 CBADHO OC[C@@H]1CCCN1CCOCC[N@@H+]1CCC[C@H]1CO ZINC000304780959 352747614 /nfs/dbraw/zinc/74/76/14/352747614.db2.gz GAIMFTBMOXQKKA-KBPBESRZSA-N 1 3 272.389 -0.084 20 0 CBADHO OC[C@@H]1CCCN1CCOCC[N@H+]1CCC[C@H]1CO ZINC000304780959 352747616 /nfs/dbraw/zinc/74/76/16/352747616.db2.gz GAIMFTBMOXQKKA-KBPBESRZSA-N 1 3 272.389 -0.084 20 0 CBADHO COC[C@@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000311767614 352770338 /nfs/dbraw/zinc/77/03/38/352770338.db2.gz VQPLVQPZDAGIBF-SMDDNHRTSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)CC1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000312150289 352773681 /nfs/dbraw/zinc/77/36/81/352773681.db2.gz WTUVLURDHDGKOL-OAHLLOKOSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332092142 352934979 /nfs/dbraw/zinc/93/49/79/352934979.db2.gz BSQMQVNRZAVKMZ-UPJWGTAASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1N(C)C ZINC000331456006 352915817 /nfs/dbraw/zinc/91/58/17/352915817.db2.gz HMXAXSYQBYRFLA-AGIUHOORSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000331523649 352921813 /nfs/dbraw/zinc/92/18/13/352921813.db2.gz RJOCHXRGCXVMLH-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000331959388 352928680 /nfs/dbraw/zinc/92/86/80/352928680.db2.gz KECGEMQGQVRPFB-LLVKDONJSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332184618 352939408 /nfs/dbraw/zinc/93/94/08/352939408.db2.gz AMATUQYZNLVPST-STQMWFEESA-N 1 3 294.399 -0.497 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332558548 352965656 /nfs/dbraw/zinc/96/56/56/352965656.db2.gz OTXXNJIJAZLICK-RYUDHWBXSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332560518 352965799 /nfs/dbraw/zinc/96/57/99/352965799.db2.gz QDUZRLOOQKOVTD-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)C3CCC3)C[C@H]2[NH3+])cn1 ZINC000333561523 353003084 /nfs/dbraw/zinc/00/30/84/353003084.db2.gz LBSDFCZYQZDJIL-YNEHKIRRSA-N 1 3 277.372 -0.199 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)NCC3([NH3+])CCC3)C[C@H]2N)cn1 ZINC000333560677 353003626 /nfs/dbraw/zinc/00/36/26/353003626.db2.gz KWKUFLMGYRPXPX-NWDGAFQWSA-N 1 3 292.387 -0.262 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@H]2N)cn1 ZINC000333634046 353006577 /nfs/dbraw/zinc/00/65/77/353006577.db2.gz WFZQMSKPXZEYDL-RWMBFGLXSA-N 1 3 292.387 -0.392 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333839612 353011524 /nfs/dbraw/zinc/01/15/24/353011524.db2.gz NZXOEAVLHDOXEH-NWDGAFQWSA-N 1 3 269.393 -0.717 20 0 CBADHO CC1CCN(CCNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000333951423 353014234 /nfs/dbraw/zinc/01/42/34/353014234.db2.gz YYWHGFMJPZQNKM-STQMWFEESA-N 1 3 284.404 -0.308 20 0 CBADHO CN(C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336823715 353060427 /nfs/dbraw/zinc/06/04/27/353060427.db2.gz QXXVECNOCQFJCV-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CN(C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336823715 353060429 /nfs/dbraw/zinc/06/04/29/353060429.db2.gz QXXVECNOCQFJCV-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000336838705 353063050 /nfs/dbraw/zinc/06/30/50/353063050.db2.gz IAPIHFRWMUVHIV-TZMCWYRMSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000336838704 353063375 /nfs/dbraw/zinc/06/33/75/353063375.db2.gz IAPIHFRWMUVHIV-GXTWGEPZSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H](C)CC[NH+](C)C ZINC000336805392 353056758 /nfs/dbraw/zinc/05/67/58/353056758.db2.gz YKHRRUBZSFVBOD-ZYHUDNBSSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@@H]([NH3+])CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000340185249 353154676 /nfs/dbraw/zinc/15/46/76/353154676.db2.gz JTDXMVVMVCYYHJ-NWDGAFQWSA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184888 353154773 /nfs/dbraw/zinc/15/47/73/353154773.db2.gz KNASLZRKJKEMSK-UWVGGRQHSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000340184888 353154778 /nfs/dbraw/zinc/15/47/78/353154778.db2.gz KNASLZRKJKEMSK-UWVGGRQHSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@H]([NH3+])CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000340184498 353154969 /nfs/dbraw/zinc/15/49/69/353154969.db2.gz MIECAGGNDWXRKE-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000340210434 353157557 /nfs/dbraw/zinc/15/75/57/353157557.db2.gz QFNCDYAPHMZJPB-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340510622 353174131 /nfs/dbraw/zinc/17/41/31/353174131.db2.gz OQEOPLXHYOLOBW-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340510622 353174132 /nfs/dbraw/zinc/17/41/32/353174132.db2.gz OQEOPLXHYOLOBW-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342102290 353219183 /nfs/dbraw/zinc/21/91/83/353219183.db2.gz LVOFPDASYGJJGR-SDDRHHMPSA-N 1 3 275.418 -0.015 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000341259765 353207507 /nfs/dbraw/zinc/20/75/07/353207507.db2.gz LFLDEILNUCQNQC-OLZOCXBDSA-N 1 3 268.405 -0.310 20 0 CBADHO CCN1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342687579 353227517 /nfs/dbraw/zinc/22/75/17/353227517.db2.gz BKROSHQZWSXRSX-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000342737521 353230774 /nfs/dbraw/zinc/23/07/74/353230774.db2.gz NBELAMNFBYISQP-NWDGAFQWSA-N 1 3 283.372 -0.038 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343216974 353260032 /nfs/dbraw/zinc/26/00/32/353260032.db2.gz KPMNBUIQJURYCY-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343216974 353260033 /nfs/dbraw/zinc/26/00/33/353260033.db2.gz KPMNBUIQJURYCY-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@@H+]1C ZINC000343298069 353265510 /nfs/dbraw/zinc/26/55/10/353265510.db2.gz NHJPMSDFJBRVFE-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@H+]1C ZINC000343298069 353265513 /nfs/dbraw/zinc/26/55/13/353265513.db2.gz NHJPMSDFJBRVFE-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343603208 353281177 /nfs/dbraw/zinc/28/11/77/353281177.db2.gz RPDJCCDOHJZWDM-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO C[C@@H]1CN(CCOCCO)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343919651 353298745 /nfs/dbraw/zinc/29/87/45/353298745.db2.gz GYMFJOBZTQPKJL-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@@H]1C[N@H+](CCOCCO)CC[C@@H]1N1CCN(C)CC1 ZINC000343919651 353298747 /nfs/dbraw/zinc/29/87/47/353298747.db2.gz GYMFJOBZTQPKJL-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@@H]1C[N@@H+](CCOCCO)CC[C@@H]1N1CCN(C)CC1 ZINC000343919651 353298749 /nfs/dbraw/zinc/29/87/49/353298749.db2.gz GYMFJOBZTQPKJL-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO C[NH+](C)CCNC(=O)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000345184065 353315088 /nfs/dbraw/zinc/31/50/88/353315088.db2.gz GOLIFWHCVWNNOZ-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157623 353364876 /nfs/dbraw/zinc/36/48/76/353364876.db2.gz CBZNCLAEZHLLSQ-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[NH+](C)CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000345590028 353339807 /nfs/dbraw/zinc/33/98/07/353339807.db2.gz WJALGRQQCRFNIN-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO CC[N@H+](CCNC(=O)CCOC1CNC1)C1CC1 ZINC000348988496 353442852 /nfs/dbraw/zinc/44/28/52/353442852.db2.gz HVDMBPGGYTWYEH-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+](CCNC(=O)CCOC1CNC1)C1CC1 ZINC000348988496 353442855 /nfs/dbraw/zinc/44/28/55/353442855.db2.gz HVDMBPGGYTWYEH-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348991364 353443307 /nfs/dbraw/zinc/44/33/07/353443307.db2.gz GMXYIDWAVGPONI-NSHDSACASA-N 1 3 271.361 -0.798 20 0 CBADHO O=C(CCOC1CNC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000348989496 353443392 /nfs/dbraw/zinc/44/33/92/353443392.db2.gz JHLDFEKZOZJFIM-LLVKDONJSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(CCOC1C[NH2+]C1)NCCN1CCCCC1 ZINC000349008633 353444985 /nfs/dbraw/zinc/44/49/85/353444985.db2.gz WHQRLCVNUGOTAD-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCOC1CNC1 ZINC000349030089 353445931 /nfs/dbraw/zinc/44/59/31/353445931.db2.gz RJDANARBVYOGBR-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)CCOC1CNC1 ZINC000349030089 353445933 /nfs/dbraw/zinc/44/59/33/353445933.db2.gz RJDANARBVYOGBR-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH+](C)[C@@H](CNC(=O)CCOC1CNC1)C1CC1 ZINC000349059810 353447462 /nfs/dbraw/zinc/44/74/62/353447462.db2.gz UTVDNQHDFUVQAO-LBPRGKRZSA-N 1 3 255.362 -0.179 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000349935832 353468627 /nfs/dbraw/zinc/46/86/27/353468627.db2.gz KLYRXRLUCHQPSM-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000353113480 353522049 /nfs/dbraw/zinc/52/20/49/353522049.db2.gz QRLMCPFDTJFKHF-GFCCVEGCSA-N 1 3 286.420 -0.060 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000354721022 353580215 /nfs/dbraw/zinc/58/02/15/353580215.db2.gz YDOLHFBTJIXITA-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCOC1CNC1 ZINC000357314125 353602370 /nfs/dbraw/zinc/60/23/70/353602370.db2.gz LOZVYXDCCRATQE-GIPNMCIBSA-N 1 3 255.362 -0.132 20 0 CBADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000359200738 353652591 /nfs/dbraw/zinc/65/25/91/353652591.db2.gz GXJRCDWQWQJJHN-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358504450 353648405 /nfs/dbraw/zinc/64/84/05/353648405.db2.gz ROESMUNFMNSARP-ZYHUDNBSSA-N 1 3 258.366 -0.698 20 0 CBADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357904033 353613673 /nfs/dbraw/zinc/61/36/73/353613673.db2.gz BMCBGNKTJOWWOU-WCQYABFASA-N 1 3 299.415 -0.285 20 0 CBADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357904031 353613748 /nfs/dbraw/zinc/61/37/48/353613748.db2.gz BMCBGNKTJOWWOU-AAEUAGOBSA-N 1 3 299.415 -0.285 20 0 CBADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357904032 353613804 /nfs/dbraw/zinc/61/38/04/353613804.db2.gz BMCBGNKTJOWWOU-DGCLKSJQSA-N 1 3 299.415 -0.285 20 0 CBADHO C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000370772015 353691725 /nfs/dbraw/zinc/69/17/25/353691725.db2.gz JCPRZSZGSWHTDS-OCCSQVGLSA-N 1 3 286.395 -0.312 20 0 CBADHO CN(CC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370607 353715821 /nfs/dbraw/zinc/71/58/21/353715821.db2.gz RNZJEUDOBLSRRV-LBPRGKRZSA-N 1 3 254.378 -0.428 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000375898838 353769414 /nfs/dbraw/zinc/76/94/14/353769414.db2.gz YHWOPFJODBXKKK-QJPTWQEYSA-N 1 3 275.418 -0.002 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956069 353769772 /nfs/dbraw/zinc/76/97/72/353769772.db2.gz ADTFVIBFAAGHIA-QWHCGFSZSA-N 1 3 298.456 -0.412 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000400212024 353800604 /nfs/dbraw/zinc/80/06/04/353800604.db2.gz VQPDBXNRAKVMNM-AXFHLTTASA-N 1 3 261.391 -0.120 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000411028041 353939406 /nfs/dbraw/zinc/93/94/06/353939406.db2.gz PBOFVZZFFVBLNE-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000411028041 353939407 /nfs/dbraw/zinc/93/94/07/353939407.db2.gz PBOFVZZFFVBLNE-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CNCCO1 ZINC000418453126 353998052 /nfs/dbraw/zinc/99/80/52/353998052.db2.gz YSANBRIOQCSKKZ-QWRGUYRKSA-N 1 3 258.366 -0.209 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)N(CC[NH3+])CCO ZINC000417035037 353975397 /nfs/dbraw/zinc/97/53/97/353975397.db2.gz SFIMDIUZWHKJQH-LBPRGKRZSA-N 1 3 272.393 -0.177 20 0 CBADHO CC(C)([NH3+])CNC(=O)NCCNc1ccncc1 ZINC000418414434 353997116 /nfs/dbraw/zinc/99/71/16/353997116.db2.gz LJPGYSNDCQUIFX-UHFFFAOYSA-N 1 3 251.334 -0.048 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NCCCN(C)CCOC ZINC000417095625 353976341 /nfs/dbraw/zinc/97/63/41/353976341.db2.gz UJIPHNQSROAFHY-LLVKDONJSA-N 1 3 260.382 -0.009 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000418426150 353997175 /nfs/dbraw/zinc/99/71/75/353997175.db2.gz LPPRBSYQHSAPPR-CYBMUJFWSA-N 1 3 272.393 -0.130 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417442907 353977246 /nfs/dbraw/zinc/97/72/46/353977246.db2.gz WONWVULAMULHEQ-OLZOCXBDSA-N 1 3 284.404 -0.185 20 0 CBADHO COCCN(C)CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417449404 353977371 /nfs/dbraw/zinc/97/73/71/353977371.db2.gz XWTLEEWAHSGQFG-GFCCVEGCSA-N 1 3 272.393 -0.137 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417439657 353977984 /nfs/dbraw/zinc/97/79/84/353977984.db2.gz MMAWOZKCMUQOQR-LLVKDONJSA-N 1 3 258.366 -0.399 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417443825 353978003 /nfs/dbraw/zinc/97/80/03/353978003.db2.gz AZZZUQNESUFRJH-VXGBXAGGSA-N 1 3 272.393 -0.057 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000418424170 353997266 /nfs/dbraw/zinc/99/72/66/353997266.db2.gz GMVDICQPUOXXAU-AAEUAGOBSA-N 1 3 272.393 -0.274 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417567431 353979864 /nfs/dbraw/zinc/97/98/64/353979864.db2.gz NNUVYHRGZBXABY-MNOVXSKESA-N 1 3 258.366 -0.256 20 0 CBADHO COCC[NH2+]CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417674892 353980676 /nfs/dbraw/zinc/98/06/76/353980676.db2.gz BAQTVZHXGSHOJA-NSHDSACASA-N 1 3 270.377 -0.242 20 0 CBADHO COCCCN(C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417744955 353982911 /nfs/dbraw/zinc/98/29/11/353982911.db2.gz DPPBWCIMHHIASD-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417760368 353983463 /nfs/dbraw/zinc/98/34/63/353983463.db2.gz XRTAVWSYESWWCH-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417851654 353984543 /nfs/dbraw/zinc/98/45/43/353984543.db2.gz NIHITJACCBVEHJ-RDBSUJKOSA-N 1 3 280.416 -0.119 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)NCCOCCN(C)C ZINC000418073977 353987451 /nfs/dbraw/zinc/98/74/51/353987451.db2.gz XCMOCYJCQCQMQI-LLVKDONJSA-N 1 3 260.382 -0.281 20 0 CBADHO CN(C)CCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418067744 353987578 /nfs/dbraw/zinc/98/75/78/353987578.db2.gz NHBJLKFTSKPENA-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCOCC[NH+](C)C ZINC000418073982 353987891 /nfs/dbraw/zinc/98/78/91/353987891.db2.gz XDYSOXCJULOVEU-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@H]2CNCCO2)CCCCC1 ZINC000418298240 353992074 /nfs/dbraw/zinc/99/20/74/353992074.db2.gz PNAQQOHWUKSUMM-LLVKDONJSA-N 1 3 270.377 -0.064 20 0 CBADHO O=C(NCCNc1ccncc1)NCCN1CC[NH2+]CC1 ZINC000418295574 353992193 /nfs/dbraw/zinc/99/21/93/353992193.db2.gz HXMVRFWNPQIJBR-UHFFFAOYSA-N 1 3 292.387 -0.880 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CNCCO2)CCCCC1 ZINC000418298242 353992204 /nfs/dbraw/zinc/99/22/04/353992204.db2.gz PNAQQOHWUKSUMM-NSHDSACASA-N 1 3 270.377 -0.064 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418350036 353993788 /nfs/dbraw/zinc/99/37/88/353993788.db2.gz QOPPQRUOHUQONI-CYBMUJFWSA-N 1 3 286.420 -0.011 20 0 CBADHO CC[NH2+]CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418321240 353993869 /nfs/dbraw/zinc/99/38/69/353993869.db2.gz YCXAVPCSYROYQY-GFCCVEGCSA-N 1 3 272.393 -0.258 20 0 CBADHO O=C(NCCNc1ccncc1)NC[C@@H]1CCC[NH2+]1 ZINC000418371808 353994632 /nfs/dbraw/zinc/99/46/32/353994632.db2.gz QCIXGTCINFRMSZ-LBPRGKRZSA-N 1 3 263.345 -0.033 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418407487 353996529 /nfs/dbraw/zinc/99/65/29/353996529.db2.gz FQAIXFDOARVYTE-SCRDCRAPSA-N 1 3 284.404 -0.130 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419229585 354039651 /nfs/dbraw/zinc/03/96/51/354039651.db2.gz OXBRERUBSLXBHW-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCC1 ZINC000419244684 354040921 /nfs/dbraw/zinc/04/09/21/354040921.db2.gz USYIYFKKXCXOIF-UHFFFAOYSA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000419245061 354041234 /nfs/dbraw/zinc/04/12/34/354041234.db2.gz VCTOCWWCCVAZGH-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CCN1CCCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418497997 353999095 /nfs/dbraw/zinc/99/90/95/353999095.db2.gz LCGPYHWOCAXFCP-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO COCCNCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418506570 353999887 /nfs/dbraw/zinc/99/98/87/353999887.db2.gz ITEWCVSADWLATR-MNOVXSKESA-N 1 3 258.366 -0.480 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503553 354000317 /nfs/dbraw/zinc/00/03/17/354000317.db2.gz YETKYOKNHKYUDL-GFCCVEGCSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418513669 354001636 /nfs/dbraw/zinc/00/16/36/354001636.db2.gz VFEATGTXZFDSFP-RYUDHWBXSA-N 1 3 272.393 -0.009 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418636487 354003889 /nfs/dbraw/zinc/00/38/89/354003889.db2.gz HLTRESZHOGCKRS-OLZOCXBDSA-N 1 3 286.420 -0.014 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418614686 354004665 /nfs/dbraw/zinc/00/46/65/354004665.db2.gz GIMGLLWQKOLZOQ-GXTWGEPZSA-N 1 3 284.404 -0.130 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN2CCC[C@H]2C1 ZINC000418675311 354005282 /nfs/dbraw/zinc/00/52/82/354005282.db2.gz RKBWKDWONXYYQH-NNYUYHANSA-N 1 3 250.346 -0.306 20 0 CBADHO O=C(NCCNc1ccncc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418676385 354005418 /nfs/dbraw/zinc/00/54/18/354005418.db2.gz STQZPYMLBCAACC-GDNZZTSVSA-N 1 3 261.329 -0.568 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000418758243 354007147 /nfs/dbraw/zinc/00/71/47/354007147.db2.gz FISCHDBSMHYBCB-QJPTWQEYSA-N 1 3 270.377 -0.114 20 0 CBADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CNCCO1 ZINC000418755176 354007212 /nfs/dbraw/zinc/00/72/12/354007212.db2.gz BSPGWPGLPSNPKO-GFCCVEGCSA-N 1 3 279.344 -0.797 20 0 CBADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCN)([NH+](C)C)C1 ZINC000418925707 354015260 /nfs/dbraw/zinc/01/52/60/354015260.db2.gz RKAGBDKPWXICBF-SMDDNHRTSA-N 1 3 284.404 -0.312 20 0 CBADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCN)CC1 ZINC000419009009 354022774 /nfs/dbraw/zinc/02/27/74/354022774.db2.gz WQRZGRNBXWQRAS-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO NC[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000419008215 354023181 /nfs/dbraw/zinc/02/31/81/354023181.db2.gz VFPUGNZZCRSFJC-CYBMUJFWSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419029771 354025323 /nfs/dbraw/zinc/02/53/23/354025323.db2.gz SCFZYEXOAMEPKC-IJLUTSLNSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032403 354025384 /nfs/dbraw/zinc/02/53/84/354025384.db2.gz WMQLSZWONGXIHN-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419079958 354027377 /nfs/dbraw/zinc/02/73/77/354027377.db2.gz NXKZOLMPBLIURZ-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000419096140 354028679 /nfs/dbraw/zinc/02/86/79/354028679.db2.gz DJBMASPKTVZZRX-NEPJUHHUSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC[NH3+] ZINC000419120396 354029446 /nfs/dbraw/zinc/02/94/46/354029446.db2.gz KUIWVQFAVSKJJJ-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CCCN(C(=O)C(=O)NCCN(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000419113946 354029633 /nfs/dbraw/zinc/02/96/33/354029633.db2.gz WTMVVRGVPDTHEG-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419126844 354029808 /nfs/dbraw/zinc/02/98/08/354029808.db2.gz YNCZWUOARLXZIC-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419147038 354032329 /nfs/dbraw/zinc/03/23/29/354032329.db2.gz IZTBNFLVSXOWPE-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C1CC1 ZINC000419575833 354062557 /nfs/dbraw/zinc/06/25/57/354062557.db2.gz BIBDOZGCVAPNHK-SKDRFNHKSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N(C)C1CC1 ZINC000419579906 354063294 /nfs/dbraw/zinc/06/32/94/354063294.db2.gz GZEZLVWFJAPUSC-VIFPVBQESA-N 1 3 270.377 -0.561 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419580437 354063379 /nfs/dbraw/zinc/06/33/79/354063379.db2.gz HKQSXKPRLKACGP-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419583977 354064152 /nfs/dbraw/zinc/06/41/52/354064152.db2.gz KUJCEOURJARHRE-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419587174 354065018 /nfs/dbraw/zinc/06/50/18/354065018.db2.gz NMKOPTHZAWGCKI-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419596377 354065047 /nfs/dbraw/zinc/06/50/47/354065047.db2.gz YADWEWAPNASUBV-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419587025 354065377 /nfs/dbraw/zinc/06/53/77/354065377.db2.gz NDWLIVAMVQUVPU-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C1CC1 ZINC000419594765 354065661 /nfs/dbraw/zinc/06/56/61/354065661.db2.gz VGYBAVNELRRGGM-SDDRHHMPSA-N 1 3 294.399 -0.737 20 0 CBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419697460 354069758 /nfs/dbraw/zinc/06/97/58/354069758.db2.gz QRVYOISSEHWVQX-NWDGAFQWSA-N 1 3 294.399 -0.402 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419874072 354088168 /nfs/dbraw/zinc/08/81/68/354088168.db2.gz VTYOVNXIVBLYMH-LBPRGKRZSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419720511 354072324 /nfs/dbraw/zinc/07/23/24/354072324.db2.gz FOWXXPCMRPQFPG-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419729700 354073831 /nfs/dbraw/zinc/07/38/31/354073831.db2.gz IOBDPETYRDZICV-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419736767 354073872 /nfs/dbraw/zinc/07/38/72/354073872.db2.gz SFICDXOIPRTRKT-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419740893 354074803 /nfs/dbraw/zinc/07/48/03/354074803.db2.gz YOJXXTFHFDGDTE-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419766548 354075595 /nfs/dbraw/zinc/07/55/95/354075595.db2.gz RMTGJLSAXUNMAS-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419765193 354075815 /nfs/dbraw/zinc/07/58/15/354075815.db2.gz QCCYUKISHUFXHV-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419823038 354080425 /nfs/dbraw/zinc/08/04/25/354080425.db2.gz PQQJUWJPGFFAQX-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831121 354081232 /nfs/dbraw/zinc/08/12/32/354081232.db2.gz LITWJYBNGDMBOC-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)C[NH+]1CCCC1 ZINC000419838231 354082526 /nfs/dbraw/zinc/08/25/26/354082526.db2.gz XNMOTWSSNAXGJY-DGCLKSJQSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN)C[NH+]1CCCC1 ZINC000419839949 354082877 /nfs/dbraw/zinc/08/28/77/354082877.db2.gz ZAXFEOSOBWBLEY-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419841722 354083366 /nfs/dbraw/zinc/08/33/66/354083366.db2.gz ACWBLQMVRLVNDX-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419846512 354083863 /nfs/dbraw/zinc/08/38/63/354083863.db2.gz QBDSWSHBWFEGTC-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419851433 354085097 /nfs/dbraw/zinc/08/50/97/354085097.db2.gz IWLFQHMZXVCDAD-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC1 ZINC000419857504 354085364 /nfs/dbraw/zinc/08/53/64/354085364.db2.gz GJNXCTTZXQOUBL-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419293035 354044167 /nfs/dbraw/zinc/04/41/67/354044167.db2.gz ZWWUBCBHIAGENS-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419293035 354044168 /nfs/dbraw/zinc/04/41/68/354044168.db2.gz ZWWUBCBHIAGENS-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419291807 354044705 /nfs/dbraw/zinc/04/47/05/354044705.db2.gz XOAJKPKKQNZXPB-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419407659 354050873 /nfs/dbraw/zinc/05/08/73/354050873.db2.gz KSVACDBDJJNIQT-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419403093 354051060 /nfs/dbraw/zinc/05/10/60/354051060.db2.gz DJCHQPCXWWEOII-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419405145 354051593 /nfs/dbraw/zinc/05/15/93/354051593.db2.gz HHUMVPQKRCSBEV-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419419088 354053546 /nfs/dbraw/zinc/05/35/46/354053546.db2.gz YVRZDFDOABPREJ-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419416081 354053592 /nfs/dbraw/zinc/05/35/92/354053592.db2.gz VVBNVHRJVHTSMU-UHFFFAOYSA-N 1 3 270.377 -0.748 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419415203 354053782 /nfs/dbraw/zinc/05/37/82/354053782.db2.gz UWVHNXZSZYVUNN-NEPJUHHUSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419428885 354054475 /nfs/dbraw/zinc/05/44/75/354054475.db2.gz UCCMAUIFCFXCQF-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419431704 354054695 /nfs/dbraw/zinc/05/46/95/354054695.db2.gz XRQHWJFYUAHUSQ-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H](C)CC[NH3+])C1CC1 ZINC000419501126 354056880 /nfs/dbraw/zinc/05/68/80/354056880.db2.gz ASAMSSAXOWBLBX-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN(CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000419520222 354057122 /nfs/dbraw/zinc/05/71/22/354057122.db2.gz HENBYFFJTLZXKM-UHFFFAOYSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C1CC1 ZINC000419526494 354058060 /nfs/dbraw/zinc/05/80/60/354058060.db2.gz TYBXUERSPJXXQZ-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419527012 354058527 /nfs/dbraw/zinc/05/85/27/354058527.db2.gz URIARJDIFFLSSE-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000419524515 354058754 /nfs/dbraw/zinc/05/87/54/354058754.db2.gz PXJBHOHSFVXLHY-JTQLQIEISA-N 1 3 268.361 -0.854 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419526354 354058793 /nfs/dbraw/zinc/05/87/93/354058793.db2.gz STNRKFGXZFICAX-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CC1)C(C)(C)C[NH+](C)C ZINC000419548532 354060273 /nfs/dbraw/zinc/06/02/73/354060273.db2.gz RLYZUGQXTVKOCO-ZYHUDNBSSA-N 1 3 298.431 -0.068 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419883835 354089894 /nfs/dbraw/zinc/08/98/94/354089894.db2.gz FADSLASLKPYDKN-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419897661 354091634 /nfs/dbraw/zinc/09/16/34/354091634.db2.gz AMFFVMOHEHMUNS-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419937173 354094646 /nfs/dbraw/zinc/09/46/46/354094646.db2.gz MMORDWMPFRHXMU-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419953626 354096564 /nfs/dbraw/zinc/09/65/64/354096564.db2.gz LECPWBXQMQXEMP-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000419974538 354099218 /nfs/dbraw/zinc/09/92/18/354099218.db2.gz JPWBYUMABXRXNM-AVGNSLFASA-N 1 3 298.431 -0.197 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000419978166 354099603 /nfs/dbraw/zinc/09/96/03/354099603.db2.gz NUVZWBIOISDFON-SDDRHHMPSA-N 1 3 284.404 -0.633 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000420020994 354103412 /nfs/dbraw/zinc/10/34/12/354103412.db2.gz GRGPEWNTXIFGKK-IJLUTSLNSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420035470 354104043 /nfs/dbraw/zinc/10/40/43/354104043.db2.gz YTIMUTAQMWYWAL-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420030567 354104265 /nfs/dbraw/zinc/10/42/65/354104265.db2.gz QAPCQAZUFINYDW-NSHDSACASA-N 1 3 296.371 -0.367 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420034684 354104276 /nfs/dbraw/zinc/10/42/76/354104276.db2.gz XUUOQITVLQLBSH-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420034684 354104280 /nfs/dbraw/zinc/10/42/80/354104280.db2.gz XUUOQITVLQLBSH-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)CN ZINC000420032454 354104297 /nfs/dbraw/zinc/10/42/97/354104297.db2.gz ULKBQOLKTSYIQA-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420034773 354104347 /nfs/dbraw/zinc/10/43/47/354104347.db2.gz JPJYHUGPNAQKCR-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420040490 354105078 /nfs/dbraw/zinc/10/50/78/354105078.db2.gz OXQSWGLBEXBZFI-NWDGAFQWSA-N 1 3 282.388 -0.560 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420062599 354106593 /nfs/dbraw/zinc/10/65/93/354106593.db2.gz TVAZOSBTYZPPNV-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420089186 354108527 /nfs/dbraw/zinc/10/85/27/354108527.db2.gz JLBOBSOSUFTGDS-GFCCVEGCSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420124934 354110151 /nfs/dbraw/zinc/11/01/51/354110151.db2.gz SIWKCZYDTUFKTK-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420124931 354110251 /nfs/dbraw/zinc/11/02/51/354110251.db2.gz SIWKCZYDTUFKTK-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000420149331 354112695 /nfs/dbraw/zinc/11/26/95/354112695.db2.gz VBLRUGPFNZZIAN-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420317616 354123189 /nfs/dbraw/zinc/12/31/89/354123189.db2.gz ZQXVVDSGACSNAA-GHMZBOCLSA-N 1 3 271.361 -0.323 20 0 CBADHO C[C@@H]1CCN(CCC(=O)N2CCNCC2)[C@@H](C[NH3+])C1 ZINC000420333986 354124407 /nfs/dbraw/zinc/12/44/07/354124407.db2.gz KOXOQZAQMSYFEX-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)[C@@H](CN)C1 ZINC000420333986 354124408 /nfs/dbraw/zinc/12/44/08/354124408.db2.gz KOXOQZAQMSYFEX-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)[C@@H](CN)C1 ZINC000420333986 354124412 /nfs/dbraw/zinc/12/44/12/354124412.db2.gz KOXOQZAQMSYFEX-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398981 354126360 /nfs/dbraw/zinc/12/63/60/354126360.db2.gz HHVQUHWDNLEHDG-VXGBXAGGSA-N 1 3 285.388 -0.075 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423203022 354165755 /nfs/dbraw/zinc/16/57/55/354165755.db2.gz BSADKDSMULVBET-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000423244837 354166035 /nfs/dbraw/zinc/16/60/35/354166035.db2.gz XVICFUXDVJHRHN-RYUDHWBXSA-N 1 3 282.388 -0.641 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000423244835 354166056 /nfs/dbraw/zinc/16/60/56/354166056.db2.gz XVICFUXDVJHRHN-NEPJUHHUSA-N 1 3 282.388 -0.641 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423294918 354166821 /nfs/dbraw/zinc/16/68/21/354166821.db2.gz VPVKRPWJFPGJFQ-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CN1CCN(C(=O)CCN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422714152 354151588 /nfs/dbraw/zinc/15/15/88/354151588.db2.gz KSJCYBFJVSZBKM-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422714152 354151593 /nfs/dbraw/zinc/15/15/93/354151593.db2.gz KSJCYBFJVSZBKM-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000422976086 354158522 /nfs/dbraw/zinc/15/85/22/354158522.db2.gz UOEAJAOOHOKFST-NEPJUHHUSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422976250 354159308 /nfs/dbraw/zinc/15/93/08/354159308.db2.gz UTNHDIFHVZDZES-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCS(=O)(=O)N1CC(CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423055000 354161842 /nfs/dbraw/zinc/16/18/42/354161842.db2.gz CNTYMQZBJHXNEP-CMPLNLGQSA-N 1 3 275.418 -0.145 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000423164761 354163723 /nfs/dbraw/zinc/16/37/23/354163723.db2.gz ACKWGBKZWHAENY-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000423517936 354178803 /nfs/dbraw/zinc/17/88/03/354178803.db2.gz USCLLTKQOQMKNX-GFCCVEGCSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423516923 354178915 /nfs/dbraw/zinc/17/89/15/354178915.db2.gz HHCPGLZRQIGKIU-NSHDSACASA-N 1 3 282.388 -0.511 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423601828 354182668 /nfs/dbraw/zinc/18/26/68/354182668.db2.gz ZVTQLWCHAILRPE-JHJVBQTASA-N 1 3 296.415 -0.267 20 0 CBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423654846 354189552 /nfs/dbraw/zinc/18/95/52/354189552.db2.gz UDUPEIHWFYEUIK-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)CN1 ZINC000423807136 354200337 /nfs/dbraw/zinc/20/03/37/354200337.db2.gz VIWHEOCVSZTRNA-FRRDWIJNSA-N 1 3 269.389 -0.054 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)CN1 ZINC000423807136 354200339 /nfs/dbraw/zinc/20/03/39/354200339.db2.gz VIWHEOCVSZTRNA-FRRDWIJNSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000423975577 354206002 /nfs/dbraw/zinc/20/60/02/354206002.db2.gz DPNMJFBCIWYNPY-SRVKXCTJSA-N 1 3 282.388 -0.655 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000431032843 354251687 /nfs/dbraw/zinc/25/16/87/354251687.db2.gz FBWGJPMIAHJGCB-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000431032843 354251689 /nfs/dbraw/zinc/25/16/89/354251689.db2.gz FBWGJPMIAHJGCB-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000435245748 354255271 /nfs/dbraw/zinc/25/52/71/354255271.db2.gz DEQFGNNECUACKZ-WPRPVWTQSA-N 1 3 260.359 -0.228 20 0 CBADHO CC(C)[C@H](N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424231190 354220386 /nfs/dbraw/zinc/22/03/86/354220386.db2.gz GACIUBZTQRYQKB-TUAOUCFPSA-N 1 3 265.361 -0.344 20 0 CBADHO CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424223612 354220515 /nfs/dbraw/zinc/22/05/15/354220515.db2.gz IERPUZINKGHASN-RWMBFGLXSA-N 1 3 279.388 -0.096 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C(N)C(F)(F)F)C[C@H]2[NH3+])cn1 ZINC000424227830 354220584 /nfs/dbraw/zinc/22/05/84/354220584.db2.gz RNZKEABENHNPAU-DJLDLDEBSA-N 1 3 291.277 -0.437 20 0 CBADHO C[C@H]1CC2(CN1C(=O)COC1CNC1)CC[NH2+]CC2 ZINC000424226347 354220600 /nfs/dbraw/zinc/22/06/00/354220600.db2.gz RNIZUGMSUFIEOU-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424484121 354226598 /nfs/dbraw/zinc/22/65/98/354226598.db2.gz ZSIKFYZANPXDAB-WCFLWFBJSA-N 1 3 294.403 -0.288 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000447436578 354298917 /nfs/dbraw/zinc/29/89/17/354298917.db2.gz ADOBDMVSULDHMT-USWWRNFRSA-N 1 3 255.362 -0.051 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444271828 354267371 /nfs/dbraw/zinc/26/73/71/354267371.db2.gz ZZTWACJCMKIYHL-ZFWWWQNUSA-N 1 3 280.416 -0.260 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444266213 354267428 /nfs/dbraw/zinc/26/74/28/354267428.db2.gz IHTZXXZOWKYRQM-VXGBXAGGSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449703047 354321757 /nfs/dbraw/zinc/32/17/57/354321757.db2.gz VOMQMMWYFGYWNY-FRRDWIJNSA-N 1 3 268.405 -0.121 20 0 CBADHO CN(C)CCN(C)C(=O)NCCOCC[NH+](C)C ZINC000471656318 354402243 /nfs/dbraw/zinc/40/22/43/354402243.db2.gz BKXDGKKIAIGNPK-UHFFFAOYSA-N 1 3 260.382 -0.232 20 0 CBADHO CCN(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487190240 354412961 /nfs/dbraw/zinc/41/29/61/354412961.db2.gz QXDUTYVQOIOGOG-NWDGAFQWSA-N 1 3 257.378 -0.386 20 0 CBADHO CCN(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487190240 354412962 /nfs/dbraw/zinc/41/29/62/354412962.db2.gz QXDUTYVQOIOGOG-NWDGAFQWSA-N 1 3 257.378 -0.386 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCOCCN(C)C ZINC000487237214 354413025 /nfs/dbraw/zinc/41/30/25/354413025.db2.gz XWPBJUCBFSYDTH-NWDGAFQWSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCOCCN(C)C ZINC000487237214 354413027 /nfs/dbraw/zinc/41/30/27/354413027.db2.gz XWPBJUCBFSYDTH-NWDGAFQWSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000515520879 354555963 /nfs/dbraw/zinc/55/59/63/354555963.db2.gz BEUBQULZEVTXJI-NWDGAFQWSA-N 1 3 271.409 -0.389 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000519403081 354560777 /nfs/dbraw/zinc/56/07/77/354560777.db2.gz PXIAKVYYYBICNC-NWDGAFQWSA-N 1 3 253.346 -0.282 20 0 CBADHO CN1CCC[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519543817 354562249 /nfs/dbraw/zinc/56/22/49/354562249.db2.gz NFVMNULNTQGVJG-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000519548882 354563702 /nfs/dbraw/zinc/56/37/02/354563702.db2.gz MWJJPCOUFHHCEY-XQQFMLRXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000520576757 354568434 /nfs/dbraw/zinc/56/84/34/354568434.db2.gz UHOVDXJFALKGBA-UONOGXRCSA-N 1 3 280.416 -0.025 20 0 CBADHO CN1CCC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529308284 354583402 /nfs/dbraw/zinc/58/34/02/354583402.db2.gz DTYYGTXDCQIXSE-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843210 354550808 /nfs/dbraw/zinc/55/08/08/354550808.db2.gz AFSUUMCUCRGPCN-GXFFZTMASA-N 1 3 291.392 -0.568 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590488 354653255 /nfs/dbraw/zinc/65/32/55/354653255.db2.gz BXFBFWMGJTWCQE-SWLSCSKDSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590488 354653259 /nfs/dbraw/zinc/65/32/59/354653259.db2.gz BXFBFWMGJTWCQE-SWLSCSKDSA-N 1 3 296.415 -0.164 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000557248958 354685822 /nfs/dbraw/zinc/68/58/22/354685822.db2.gz YHCWNFRQMJGFOZ-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO COC[C@@]1(CNC(=O)N2CCN(C)C[C@H]2CN)CCC[NH2+]1 ZINC000562815804 354688444 /nfs/dbraw/zinc/68/84/44/354688444.db2.gz BFHSNTYVUDCHCD-OCCSQVGLSA-N 1 3 299.419 -0.961 20 0 CBADHO O=C(CCN1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000563150065 354700043 /nfs/dbraw/zinc/70/00/43/354700043.db2.gz XUJKQVBOCLJHOU-QWHCGFSZSA-N 1 3 266.389 -0.650 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000563160531 354701080 /nfs/dbraw/zinc/70/10/80/354701080.db2.gz VKJGXWBXADEVLF-SCRDCRAPSA-N 1 3 298.431 -0.116 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000563160531 354701083 /nfs/dbraw/zinc/70/10/83/354701083.db2.gz VKJGXWBXADEVLF-SCRDCRAPSA-N 1 3 298.431 -0.116 20 0 CBADHO O=C(CCOC1CNC1)NCCNc1cc[nH+]cc1 ZINC000564914665 354720086 /nfs/dbraw/zinc/72/00/86/354720086.db2.gz DAWCDFBUELYUFW-UHFFFAOYSA-N 1 3 264.329 -0.590 20 0 CBADHO CC[NH+](CC)CCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565237006 354733915 /nfs/dbraw/zinc/73/39/15/354733915.db2.gz ASVZBBFHLWWZCQ-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000564995914 354725785 /nfs/dbraw/zinc/72/57/85/354725785.db2.gz QDSFOPVPXXEGMI-JQWIXIFHSA-N 1 3 272.393 -0.280 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCC(O)CC2)C1 ZINC000556737240 354681101 /nfs/dbraw/zinc/68/11/01/354681101.db2.gz QJLYXXNGNBTODD-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCCN2CCC(O)CC2)C1 ZINC000556737240 354681104 /nfs/dbraw/zinc/68/11/04/354681104.db2.gz QJLYXXNGNBTODD-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000565962271 354749733 /nfs/dbraw/zinc/74/97/33/354749733.db2.gz YYAUXGDNXAUDJR-OLZOCXBDSA-N 1 3 270.421 -0.016 20 0 CBADHO [NH3+]CCCN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000566225470 354758472 /nfs/dbraw/zinc/75/84/72/354758472.db2.gz PLMXVCYKDVWNGL-LBPRGKRZSA-N 1 3 254.378 -0.521 20 0 CBADHO C[NH2+][C@H]1CCCN(C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000566619912 354771669 /nfs/dbraw/zinc/77/16/69/354771669.db2.gz IQEIFDBWFUOAIJ-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+][C@H]1CCCN(C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000566619914 354771878 /nfs/dbraw/zinc/77/18/78/354771878.db2.gz IQEIFDBWFUOAIJ-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000566858951 354776381 /nfs/dbraw/zinc/77/63/81/354776381.db2.gz JEXURISTIXVKFE-BBBLOLIVSA-N 1 3 257.334 -0.524 20 0 CBADHO CN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H](CN)C1 ZINC000567031379 354779344 /nfs/dbraw/zinc/77/93/44/354779344.db2.gz KDJSPWLUTZKZMY-OLZOCXBDSA-N 1 3 283.420 -0.212 20 0 CBADHO C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)C ZINC000567478681 354788578 /nfs/dbraw/zinc/78/85/78/354788578.db2.gz NFQRFZOYNDQLEY-WDEREUQCSA-N 1 3 257.382 -0.779 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCOCCN(C)C ZINC000565420713 354737783 /nfs/dbraw/zinc/73/77/83/354737783.db2.gz NIMHGMJDACMPNZ-WDEREUQCSA-N 1 3 260.382 -0.010 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCOCCN(C)C ZINC000565420708 354737836 /nfs/dbraw/zinc/73/78/36/354737836.db2.gz NIMHGMJDACMPNZ-GHMZBOCLSA-N 1 3 260.382 -0.010 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COC1CNC1 ZINC000567811717 354798304 /nfs/dbraw/zinc/79/83/04/354798304.db2.gz BFJNDFKLWXMOJZ-ZYHUDNBSSA-N 1 3 255.362 -0.227 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COC1CNC1 ZINC000567811717 354798306 /nfs/dbraw/zinc/79/83/06/354798306.db2.gz BFJNDFKLWXMOJZ-ZYHUDNBSSA-N 1 3 255.362 -0.227 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000567822640 354799112 /nfs/dbraw/zinc/79/91/12/354799112.db2.gz HFNSUEPQVIXBCH-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)COC2CNC2)CC1 ZINC000567825567 354799893 /nfs/dbraw/zinc/79/98/93/354799893.db2.gz RIJIYJRWEXXXKV-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO [NH3+]C[C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000567834878 354799996 /nfs/dbraw/zinc/79/99/96/354799996.db2.gz OKQIWVWOZPTERC-NWDGAFQWSA-N 1 3 255.362 -0.048 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)C1 ZINC000568211611 354815388 /nfs/dbraw/zinc/81/53/88/354815388.db2.gz CXDSVAHDNKYVDP-BXUZGUMPSA-N 1 3 267.373 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)C1 ZINC000568211611 354815390 /nfs/dbraw/zinc/81/53/90/354815390.db2.gz CXDSVAHDNKYVDP-BXUZGUMPSA-N 1 3 267.373 -0.489 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568296067 354821722 /nfs/dbraw/zinc/82/17/22/354821722.db2.gz YICVVANITBOGQS-GRYCIOLGSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568296067 354821725 /nfs/dbraw/zinc/82/17/25/354821725.db2.gz YICVVANITBOGQS-GRYCIOLGSA-N 1 3 295.387 -0.966 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000568512186 354825705 /nfs/dbraw/zinc/82/57/05/354825705.db2.gz NTUZUZQGBWZEMW-CYBMUJFWSA-N 1 3 271.361 -0.321 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000568512186 354825708 /nfs/dbraw/zinc/82/57/08/354825708.db2.gz NTUZUZQGBWZEMW-CYBMUJFWSA-N 1 3 271.361 -0.321 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000568512186 354825709 /nfs/dbraw/zinc/82/57/09/354825709.db2.gz NTUZUZQGBWZEMW-CYBMUJFWSA-N 1 3 271.361 -0.321 20 0 CBADHO CC(C)[NH+]1CCC(NC(=O)COC2CNC2)CC1 ZINC000568624958 354827523 /nfs/dbraw/zinc/82/75/23/354827523.db2.gz DGUCWEHMVDBWQS-UHFFFAOYSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000568738322 354830781 /nfs/dbraw/zinc/83/07/81/354830781.db2.gz ZHZBRFPGUSMPNK-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](NC1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000568745781 354831171 /nfs/dbraw/zinc/83/11/71/354831171.db2.gz BLQDTJQHZWJCEU-LLVKDONJSA-N 1 3 254.378 -0.462 20 0 CBADHO CC(C)N1CCN(CCCN(CC[NH3+])CCO)CC1 ZINC000568765417 354832235 /nfs/dbraw/zinc/83/22/35/354832235.db2.gz DNGWNDGINJBMJB-UHFFFAOYSA-N 1 3 272.437 -0.345 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000567715603 354794307 /nfs/dbraw/zinc/79/43/07/354794307.db2.gz KJQHLRZFEZDMOF-QWRGUYRKSA-N 1 3 255.366 -0.977 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CSCCN2)CCCO1 ZINC000567732820 354795273 /nfs/dbraw/zinc/79/52/73/354795273.db2.gz WVJSTSKKIBEBNX-WDEREUQCSA-N 1 3 273.402 -0.342 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570698888 354868000 /nfs/dbraw/zinc/86/80/00/354868000.db2.gz JZTFHNWABFHMIE-IJLUTSLNSA-N 1 3 297.403 -0.687 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1=O ZINC000570805006 354869815 /nfs/dbraw/zinc/86/98/15/354869815.db2.gz JAIHXVRPLLHYPI-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570825166 354870995 /nfs/dbraw/zinc/87/09/95/354870995.db2.gz YNTUNPUYAZCUFF-AGIUHOORSA-N 1 3 269.389 -0.006 20 0 CBADHO COCCN(CCN(C)C)C(=O)C[C@@H](C[NH3+])OC ZINC000570928339 354872507 /nfs/dbraw/zinc/87/25/07/354872507.db2.gz FCJORHFGTNLUIY-NSHDSACASA-N 1 3 261.366 -0.613 20 0 CBADHO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000570509891 354862898 /nfs/dbraw/zinc/86/28/98/354862898.db2.gz LFBTUADWSQXRHV-QWHCGFSZSA-N 1 3 258.410 -0.866 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@H+](C)CCOC)[C@H](C)C1 ZINC000570580460 354865201 /nfs/dbraw/zinc/86/52/01/354865201.db2.gz XDUBJHRCGKKYAA-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CCOC)[C@H](C)C1 ZINC000570580460 354865204 /nfs/dbraw/zinc/86/52/04/354865204.db2.gz XDUBJHRCGKKYAA-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCOC3CNC3)C[C@@H]21 ZINC000572991965 354903122 /nfs/dbraw/zinc/90/31/22/354903122.db2.gz IDDDHAWZEQDLMS-WCFLWFBJSA-N 1 3 267.373 -0.049 20 0 CBADHO CC1CCN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC000573236614 354907750 /nfs/dbraw/zinc/90/77/50/354907750.db2.gz GPTXUOMDRIDIFL-INIZCTEOSA-N 1 3 298.475 -0.084 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000573442444 354913479 /nfs/dbraw/zinc/91/34/79/354913479.db2.gz LSTKUNBAFAGTCB-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO C[NH2+]CCCN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000573564219 354915144 /nfs/dbraw/zinc/91/51/44/354915144.db2.gz ADHQPWWWCMLLQM-LBPRGKRZSA-N 1 3 252.366 -0.017 20 0 CBADHO NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000571790267 354880106 /nfs/dbraw/zinc/88/01/06/354880106.db2.gz FVODIYHALKTDOT-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO NC(=O)NC(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571790267 354880109 /nfs/dbraw/zinc/88/01/09/354880109.db2.gz FVODIYHALKTDOT-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO NC(=O)NC(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571790267 354880111 /nfs/dbraw/zinc/88/01/11/354880111.db2.gz FVODIYHALKTDOT-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865975 354882328 /nfs/dbraw/zinc/88/23/28/354882328.db2.gz AMOFTWIKIHFXAB-NXEZZACHSA-N 1 3 291.346 -0.732 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573723966 354919545 /nfs/dbraw/zinc/91/95/45/354919545.db2.gz JCRHQOGNYLBGNH-SRVKXCTJSA-N 1 3 284.404 -0.327 20 0 CBADHO COC[C@@]1(CNC(=O)C[C@H]2CNCCO2)CCC[NH2+]1 ZINC000573844215 354923464 /nfs/dbraw/zinc/92/34/64/354923464.db2.gz QYGKOPBJKPOHCP-AAEUAGOBSA-N 1 3 271.361 -0.750 20 0 CBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000573942695 354925501 /nfs/dbraw/zinc/92/55/01/354925501.db2.gz HXERLNKTWFNDBK-ZDUSSCGKSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C)C[C@H]1CN ZINC000577489238 354938338 /nfs/dbraw/zinc/93/83/38/354938338.db2.gz QVTAEKNCQORZAS-HBNTYKKESA-N 1 3 257.382 -0.604 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000578352325 354943741 /nfs/dbraw/zinc/94/37/41/354943741.db2.gz SJVJDNMYVFAEQL-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000578509024 354947489 /nfs/dbraw/zinc/94/74/89/354947489.db2.gz OQJCLVCRANGJHO-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000578895489 354958253 /nfs/dbraw/zinc/95/82/53/354958253.db2.gz UBURYKFXWLGHDY-AWEZNQCLSA-N 1 3 298.431 -0.491 20 0 CBADHO CNC[C@](C)(O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000579117162 354962239 /nfs/dbraw/zinc/96/22/39/354962239.db2.gz NASDBEZRBLLSHW-ZDUSSCGKSA-N 1 3 267.377 -0.040 20 0 CBADHO [NH3+]CCC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000579726378 354977938 /nfs/dbraw/zinc/97/79/38/354977938.db2.gz IVNBLVDFQQRKTK-GFCCVEGCSA-N 1 3 255.362 -0.048 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000580326187 354993597 /nfs/dbraw/zinc/99/35/97/354993597.db2.gz DBSFFBZYOJAPJH-RYUDHWBXSA-N 1 3 255.362 -0.539 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000580675531 354995426 /nfs/dbraw/zinc/99/54/26/354995426.db2.gz RKZJBNBVPWIAKM-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)CCOCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000580951114 355001666 /nfs/dbraw/zinc/00/16/66/355001666.db2.gz VCYMOSMSZSWAQW-DGCLKSJQSA-N 1 3 255.362 -0.320 20 0 CBADHO CN1CCN(C(=O)CCN2CCC[C@H](C[NH3+])C2)CC1 ZINC000584839477 355040119 /nfs/dbraw/zinc/04/01/19/355040119.db2.gz AESBBMSADUYKQZ-CYBMUJFWSA-N 1 3 268.405 -0.179 20 0 CBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000582291430 355013053 /nfs/dbraw/zinc/01/30/53/355013053.db2.gz XZTVARHMTJSVPG-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000582291430 355013058 /nfs/dbraw/zinc/01/30/58/355013058.db2.gz XZTVARHMTJSVPG-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CN1C1CC1 ZINC000582350473 355015083 /nfs/dbraw/zinc/01/50/83/355015083.db2.gz FBIMBNVEMSXPSZ-RYUDHWBXSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419134654 295895140 /nfs/dbraw/zinc/89/51/40/295895140.db2.gz KMTCXBSKCIEIGJ-QWRGUYRKSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418573534 295896295 /nfs/dbraw/zinc/89/62/95/295896295.db2.gz UHVNKYJANINNIV-LBPRGKRZSA-N 1 3 299.419 -0.375 20 0 CBADHO COCCN(C)CCNC(=O)NCCC[NH+](C)C ZINC000588964934 355063919 /nfs/dbraw/zinc/06/39/19/355063919.db2.gz JGXGLOGMUYAOSM-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000423734455 283079935 /nfs/dbraw/zinc/07/99/35/283079935.db2.gz CVWMGSSIHQRKRU-UTUOFQBUSA-N 1 3 280.372 -0.901 20 0 CBADHO COCCNCCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592540657 355160287 /nfs/dbraw/zinc/16/02/87/355160287.db2.gz DNBMLXNDFUOPKJ-LLVKDONJSA-N 1 3 295.387 -0.315 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592307855 355147363 /nfs/dbraw/zinc/14/73/63/355147363.db2.gz JULJATJYIOAYPL-GUBZILKMSA-N 1 3 261.391 -0.359 20 0 CBADHO COC[C@]1(CNC(=O)[C@H](N)CCSC)CCC[NH2+]1 ZINC000592338390 355149034 /nfs/dbraw/zinc/14/90/34/355149034.db2.gz YSKSNSVUBZXMAZ-ZYHUDNBSSA-N 1 3 275.418 -0.048 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000592471046 355155547 /nfs/dbraw/zinc/15/55/47/355155547.db2.gz KNWORFDVUTWENP-OUAUKWLOSA-N 1 3 271.361 -0.147 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)OC ZINC000592474863 355156415 /nfs/dbraw/zinc/15/64/15/355156415.db2.gz HFVGCMJGFGPSIP-UWVGGRQHSA-N 1 3 257.334 -0.523 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873869 355265756 /nfs/dbraw/zinc/26/57/56/355265756.db2.gz OQILBKZJZIJWAL-NXEZZACHSA-N 1 3 266.345 -0.972 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873651 355265829 /nfs/dbraw/zinc/26/58/29/355265829.db2.gz GLRDXFBJCRULGD-ZJUUUORDSA-N 1 3 266.345 -0.972 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873872 355265909 /nfs/dbraw/zinc/26/59/09/355265909.db2.gz OQILBKZJZIJWAL-ZJUUUORDSA-N 1 3 266.345 -0.972 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878295 355267083 /nfs/dbraw/zinc/26/70/83/355267083.db2.gz FHDQZUPXBVXMCW-QCNOEVLYSA-N 1 3 280.372 -0.726 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878014 355267313 /nfs/dbraw/zinc/26/73/13/355267313.db2.gz AZYONGFVJUMWSE-NWJSVONSSA-N 1 3 292.383 -0.854 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879324 355267696 /nfs/dbraw/zinc/26/76/96/355267696.db2.gz MZMCVSGVIGYVGX-FDYHWXHSSA-N 1 3 292.383 -0.713 20 0 CBADHO O[C@H](CNC[C@@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155410 355273020 /nfs/dbraw/zinc/27/30/20/355273020.db2.gz YLTWZTFZPDYXRH-CHWSQXEVSA-N 1 3 279.388 -0.029 20 0 CBADHO O[C@@H](CNC[C@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155413 355273193 /nfs/dbraw/zinc/27/31/93/355273193.db2.gz YLTWZTFZPDYXRH-STQMWFEESA-N 1 3 279.388 -0.029 20 0 CBADHO COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000595895485 355315262 /nfs/dbraw/zinc/31/52/62/355315262.db2.gz OEGRAJRUYQGJCZ-RYUDHWBXSA-N 1 3 283.372 -0.656 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000595964949 355330279 /nfs/dbraw/zinc/33/02/79/355330279.db2.gz OJFPOVSUTHVIKC-VIFPVBQESA-N 1 3 257.334 -0.345 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266685 355276098 /nfs/dbraw/zinc/27/60/98/355276098.db2.gz AZIDNSLNVKFLBQ-SDDRHHMPSA-N 1 3 295.387 -0.918 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598667491 355449092 /nfs/dbraw/zinc/44/90/92/355449092.db2.gz JBSLCOQDETVYSF-NRUUGDAUSA-N 1 3 269.345 -0.393 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598667489 355449103 /nfs/dbraw/zinc/44/91/03/355449103.db2.gz JBSLCOQDETVYSF-GBIKHYSHSA-N 1 3 269.345 -0.393 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000599936616 355519530 /nfs/dbraw/zinc/51/95/30/355519530.db2.gz YICVVANITBOGQS-QJPTWQEYSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000599936616 355519532 /nfs/dbraw/zinc/51/95/32/355519532.db2.gz YICVVANITBOGQS-QJPTWQEYSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000599936617 355520017 /nfs/dbraw/zinc/52/00/17/355520017.db2.gz YICVVANITBOGQS-SDDRHHMPSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000599936617 355520024 /nfs/dbraw/zinc/52/00/24/355520024.db2.gz YICVVANITBOGQS-SDDRHHMPSA-N 1 3 295.387 -0.966 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000601325536 355585402 /nfs/dbraw/zinc/58/54/02/355585402.db2.gz KVCVBQRDIIJTDV-QCNOEVLYSA-N 1 3 253.346 -0.345 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000601325536 355585406 /nfs/dbraw/zinc/58/54/06/355585406.db2.gz KVCVBQRDIIJTDV-QCNOEVLYSA-N 1 3 253.346 -0.345 20 0 CBADHO CCN(CC)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602463472 355651820 /nfs/dbraw/zinc/65/18/20/355651820.db2.gz BCCIZQZSLWURDL-IBGZPJMESA-N 1 3 289.445 -0.055 20 0 CBADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000602522681 355656366 /nfs/dbraw/zinc/65/63/66/355656366.db2.gz FVDJWXVTPYNERD-WOPDTQHZSA-N 1 3 282.388 -0.480 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CCSC ZINC000602547590 355660302 /nfs/dbraw/zinc/66/03/02/355660302.db2.gz HVCOQFNXNKIPDD-JTQLQIEISA-N 1 3 263.407 -0.239 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612883869 355855048 /nfs/dbraw/zinc/85/50/48/355855048.db2.gz UQGHDXMUKRUEBC-WCQYABFASA-N 1 3 270.377 -0.242 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612883870 355855181 /nfs/dbraw/zinc/85/51/81/355855181.db2.gz UQGHDXMUKRUEBC-YPMHNXCESA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000615313280 356021129 /nfs/dbraw/zinc/02/11/29/356021129.db2.gz HXGVKIMLBSDVCE-MCIONIFRSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[NH+](C)C ZINC000617756963 356154457 /nfs/dbraw/zinc/15/44/57/356154457.db2.gz RUUGYGTYPGNAIL-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C(=O)NCCN(C)CCC[NH+](C)C)S(C)(=O)=O ZINC000617766995 356157180 /nfs/dbraw/zinc/15/71/80/356157180.db2.gz BSJGMYXPVANFAC-NSHDSACASA-N 1 3 293.433 -0.581 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnnn1C ZINC000617507976 356139074 /nfs/dbraw/zinc/13/90/74/356139074.db2.gz QKIQCYBAVWFURL-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnnn1C ZINC000617507976 356139077 /nfs/dbraw/zinc/13/90/77/356139077.db2.gz QKIQCYBAVWFURL-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503443 356139340 /nfs/dbraw/zinc/13/93/40/356139340.db2.gz JPXPQOJCQXMAKN-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503443 356139342 /nfs/dbraw/zinc/13/93/42/356139342.db2.gz JPXPQOJCQXMAKN-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503444 356139501 /nfs/dbraw/zinc/13/95/01/356139501.db2.gz JPXPQOJCQXMAKN-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503444 356139503 /nfs/dbraw/zinc/13/95/03/356139503.db2.gz JPXPQOJCQXMAKN-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507403 356139851 /nfs/dbraw/zinc/13/98/51/356139851.db2.gz VPBAUPWNEIGPCB-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CNC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507403 356139854 /nfs/dbraw/zinc/13/98/54/356139854.db2.gz VPBAUPWNEIGPCB-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000617504942 356140052 /nfs/dbraw/zinc/14/00/52/356140052.db2.gz QDAGWKGLDBGQLK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000617504942 356140055 /nfs/dbraw/zinc/14/00/55/356140055.db2.gz QDAGWKGLDBGQLK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC1(OCC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CNC1 ZINC000621698850 356281363 /nfs/dbraw/zinc/28/13/63/356281363.db2.gz GYXFWYKHFWIBOG-MFKMUULPSA-N 1 3 253.346 -0.295 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295290 356267193 /nfs/dbraw/zinc/26/71/93/356267193.db2.gz CYDDITNLXUKMQK-NEPJUHHUSA-N 1 3 257.378 -0.115 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295290 356267195 /nfs/dbraw/zinc/26/71/95/356267195.db2.gz CYDDITNLXUKMQK-NEPJUHHUSA-N 1 3 257.378 -0.115 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621846006 356290354 /nfs/dbraw/zinc/29/03/54/356290354.db2.gz SWAHGPVPLZEWFQ-WFASDCNBSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCCNCc1cn(C)nn1)CC[NH+](C)C ZINC000623088176 356354679 /nfs/dbraw/zinc/35/46/79/356354679.db2.gz YPLSQPHBIRRCCK-UHFFFAOYSA-N 1 3 254.382 -0.212 20 0 CBADHO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N)nc(N)n1 ZINC000623810186 356377047 /nfs/dbraw/zinc/37/70/47/356377047.db2.gz MPNQBWYUJFYQLA-SECBINFHSA-N 1 3 265.365 -0.205 20 0 CBADHO C[C@@H]1CCCC[N@H+]1CCCNc1nc(N)nc(N)n1 ZINC000623810186 356377048 /nfs/dbraw/zinc/37/70/48/356377048.db2.gz MPNQBWYUJFYQLA-SECBINFHSA-N 1 3 265.365 -0.205 20 0 CBADHO C[C@H]1C[N@H+](CCCNc2nc(N)nc(N)n2)CCCO1 ZINC000624158547 356400465 /nfs/dbraw/zinc/40/04/65/356400465.db2.gz DTQBZCNHPDCDIW-VIFPVBQESA-N 1 3 281.364 -0.969 20 0 CBADHO C[C@H]1C[N@@H+](CCCNc2nc(N)nc(N)n2)CCCO1 ZINC000624158547 356400468 /nfs/dbraw/zinc/40/04/68/356400468.db2.gz DTQBZCNHPDCDIW-VIFPVBQESA-N 1 3 281.364 -0.969 20 0 CBADHO C[NH+](C)CCCOC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624022459 356389712 /nfs/dbraw/zinc/38/97/12/356389712.db2.gz PXOJXFKAEPNNEN-UHFFFAOYSA-N 1 3 295.391 -0.366 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050129 356392147 /nfs/dbraw/zinc/39/21/47/356392147.db2.gz ZLKOPOHPACYNAT-DTWKUNHWSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050129 356392153 /nfs/dbraw/zinc/39/21/53/356392153.db2.gz ZLKOPOHPACYNAT-DTWKUNHWSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050131 356392433 /nfs/dbraw/zinc/39/24/33/356392433.db2.gz ZLKOPOHPACYNAT-RKDXNWHRSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050131 356392437 /nfs/dbraw/zinc/39/24/37/356392437.db2.gz ZLKOPOHPACYNAT-RKDXNWHRSA-N 1 3 263.349 -0.383 20 0 CBADHO CC(C)[C@@H]1CN(c2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000624156177 356400768 /nfs/dbraw/zinc/40/07/68/356400768.db2.gz SPRCTUMJEHAAAX-QMMMGPOBSA-N 1 3 251.338 -0.527 20 0 CBADHO CC(C)[C@@H]1CN(c2nc(N)nc(N)n2)CC[N@H+]1C ZINC000624156177 356400772 /nfs/dbraw/zinc/40/07/72/356400772.db2.gz SPRCTUMJEHAAAX-QMMMGPOBSA-N 1 3 251.338 -0.527 20 0 CBADHO CC[N@@H+]1C[C@@H](C)N(c2nc(N)nc(N)n2)C[C@@H]1C ZINC000624075550 356394662 /nfs/dbraw/zinc/39/46/62/356394662.db2.gz KVBNESSGOJIEIC-JGVFFNPUSA-N 1 3 251.338 -0.384 20 0 CBADHO CC[N@H+]1C[C@@H](C)N(c2nc(N)nc(N)n2)C[C@@H]1C ZINC000624075550 356394668 /nfs/dbraw/zinc/39/46/68/356394668.db2.gz KVBNESSGOJIEIC-JGVFFNPUSA-N 1 3 251.338 -0.384 20 0 CBADHO C[NH+](C)CCc1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000624149857 356399368 /nfs/dbraw/zinc/39/93/68/356399368.db2.gz YRPOPWMJINHYNL-UHFFFAOYSA-N 1 3 287.371 -0.165 20 0 CBADHO C[NH+](C)C1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000624288546 356410614 /nfs/dbraw/zinc/41/06/14/356410614.db2.gz QAZORTKUMSMYET-UHFFFAOYSA-N 1 3 251.338 -0.597 20 0 CBADHO Nc1nc(NC[C@H]2CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000624411194 356421071 /nfs/dbraw/zinc/42/10/71/356421071.db2.gz YTEDWDDVHLOAOL-LLVKDONJSA-N 1 3 285.355 -0.195 20 0 CBADHO CC(C)C[NH2+]C1(CO)CCN(c2nc(N)nc(N)n2)CC1 ZINC000624250562 356406947 /nfs/dbraw/zinc/40/69/47/356406947.db2.gz WGDFKFDDMFUKSL-UHFFFAOYSA-N 1 3 295.391 -0.726 20 0 CBADHO C[NH2+]CCOCCNC(=O)NC1CCN(C)CC1 ZINC000626920711 356556416 /nfs/dbraw/zinc/55/64/16/356556416.db2.gz AFHPFVNREABITI-UHFFFAOYSA-N 1 3 258.366 -0.384 20 0 CBADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000626950443 356558754 /nfs/dbraw/zinc/55/87/54/356558754.db2.gz RFOZNJXWWLLGJH-NSHDSACASA-N 1 3 258.366 -0.303 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000626945583 356558809 /nfs/dbraw/zinc/55/88/09/356558809.db2.gz KJBIDVNJDRBCLI-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCCN1C ZINC000626950234 356559264 /nfs/dbraw/zinc/55/92/64/356559264.db2.gz NJUDQZNCTMHQJR-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627036289 356569045 /nfs/dbraw/zinc/56/90/45/356569045.db2.gz VKJJHXDNLOMKCR-JTQLQIEISA-N 1 3 258.366 -0.256 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626982655 356563257 /nfs/dbraw/zinc/56/32/57/356563257.db2.gz OCAGWRPTLBIXJZ-QJPTWQEYSA-N 1 3 270.377 -0.243 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627134869 356588105 /nfs/dbraw/zinc/58/81/05/356588105.db2.gz FHCTWZZUVXLIQV-GHMZBOCLSA-N 1 3 256.350 -0.550 20 0 CBADHO CCN(CCO)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627149999 356589382 /nfs/dbraw/zinc/58/93/82/356589382.db2.gz ALMDXOWRBHHDRV-UHFFFAOYSA-N 1 3 288.392 -0.892 20 0 CBADHO CN(C)CCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627152323 356589836 /nfs/dbraw/zinc/58/98/36/356589836.db2.gz VMUIUESUJCKNIT-UHFFFAOYSA-N 1 3 258.366 -0.303 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000627160087 356591016 /nfs/dbraw/zinc/59/10/16/356591016.db2.gz XEDUZUJDIZKJAK-GRYCIOLGSA-N 1 3 269.393 -0.589 20 0 CBADHO C[NH2+]CCOCCNC(=O)N(C)CCN(C)C1CC1 ZINC000627173920 356593873 /nfs/dbraw/zinc/59/38/73/356593873.db2.gz JVQKRCVVUKTWHM-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCNCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627082137 356577256 /nfs/dbraw/zinc/57/72/56/356577256.db2.gz COFPWILPWDNWKH-QWRGUYRKSA-N 1 3 258.366 -0.338 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103449 356583661 /nfs/dbraw/zinc/58/36/61/356583661.db2.gz SDFGPGQJYUCBEL-RYUDHWBXSA-N 1 3 270.377 -0.242 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000627176011 356594500 /nfs/dbraw/zinc/59/45/00/356594500.db2.gz GGOWCMQTIOEMIS-CYBMUJFWSA-N 1 3 282.388 -0.122 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627126443 356586664 /nfs/dbraw/zinc/58/66/64/356586664.db2.gz FYUONHYHKPMQRB-XQQFMLRXSA-N 1 3 294.399 -0.269 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCOCCC[NH3+] ZINC000627219652 356608814 /nfs/dbraw/zinc/60/88/14/356608814.db2.gz ZVRKPVFRQIBQAS-WDEREUQCSA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNc1ccncc1 ZINC000627238373 356609535 /nfs/dbraw/zinc/60/95/35/356609535.db2.gz FWPQIPFQGSOXAX-CMPLNLGQSA-N 1 3 263.345 -0.035 20 0 CBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250365 356613268 /nfs/dbraw/zinc/61/32/68/356613268.db2.gz JEMLOFHIZWDFDB-CHWSQXEVSA-N 1 3 283.420 -0.327 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C[NH2+]1 ZINC000627205202 356604842 /nfs/dbraw/zinc/60/48/42/356604842.db2.gz NXFOXALNHJQOJS-MDZLAQPJSA-N 1 3 270.377 -0.507 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)CCN ZINC000627365686 356633400 /nfs/dbraw/zinc/63/34/00/356633400.db2.gz WQFXRPDHWODWBP-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)CCN ZINC000627365686 356633404 /nfs/dbraw/zinc/63/34/04/356633404.db2.gz WQFXRPDHWODWBP-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000627291586 356621155 /nfs/dbraw/zinc/62/11/55/356621155.db2.gz YCGXDJQTTCFBHU-JQWIXIFHSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000627372153 356635280 /nfs/dbraw/zinc/63/52/80/356635280.db2.gz DQQLXPIGLJWCJR-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000627307450 356623340 /nfs/dbraw/zinc/62/33/40/356623340.db2.gz MEDMRRISXZQMCK-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000627307450 356623344 /nfs/dbraw/zinc/62/33/44/356623344.db2.gz MEDMRRISXZQMCK-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627320655 356625731 /nfs/dbraw/zinc/62/57/31/356625731.db2.gz KFIKFNYNNYEPOJ-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000627323113 356625804 /nfs/dbraw/zinc/62/58/04/356625804.db2.gz NSDFUQBXZDYANU-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627319581 356625820 /nfs/dbraw/zinc/62/58/20/356625820.db2.gz YNKSFXCBDXLIFF-GFCCVEGCSA-N 1 3 294.399 -0.402 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627429003 356645438 /nfs/dbraw/zinc/64/54/38/356645438.db2.gz USFAKOWCTADMQI-SDDRHHMPSA-N 1 3 282.388 -0.547 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000627428316 356645768 /nfs/dbraw/zinc/64/57/68/356645768.db2.gz BUXBXVNCZOYODQ-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444299 356647899 /nfs/dbraw/zinc/64/78/99/356647899.db2.gz HHOKSJIQKNFXLK-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505266 356660429 /nfs/dbraw/zinc/66/04/29/356660429.db2.gz FUZJNGPQCIYEBQ-GFCCVEGCSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[NH2+]1 ZINC000627477066 356654207 /nfs/dbraw/zinc/65/42/07/356654207.db2.gz QOBQURFBEUCBMM-UPJWGTAASA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000627503783 356659518 /nfs/dbraw/zinc/65/95/18/356659518.db2.gz BRSSBHIIIXGGGG-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000627503458 356659670 /nfs/dbraw/zinc/65/96/70/356659670.db2.gz NJSDCRKEELQFQV-QJPTWQEYSA-N 1 3 296.415 -0.158 20 0 CBADHO C[NH2+]CCOCCN(C)CCN1C(=O)CCC1=O ZINC000629571660 356781178 /nfs/dbraw/zinc/78/11/78/356781178.db2.gz OPJQCXCUMIXXLZ-UHFFFAOYSA-N 1 3 257.334 -0.697 20 0 CBADHO CNC(=O)CN1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629554184 356778872 /nfs/dbraw/zinc/77/88/72/356778872.db2.gz BQLOPMWSIBGLAU-CQSZACIVSA-N 1 3 298.431 -0.757 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629560365 356779476 /nfs/dbraw/zinc/77/94/76/356779476.db2.gz LUXRITSGVHPACX-GJZGRUSLSA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000629560365 356779481 /nfs/dbraw/zinc/77/94/81/356779481.db2.gz LUXRITSGVHPACX-GJZGRUSLSA-N 1 3 284.448 -0.331 20 0 CBADHO C[NH2+]CCOCCN(C)CCN1CCO[C@H](C)C1 ZINC000629572429 356780427 /nfs/dbraw/zinc/78/04/27/356780427.db2.gz SLGURQDYLAJOPB-CYBMUJFWSA-N 1 3 259.394 -0.125 20 0 CBADHO C[NH2+]CCOCCN(C)CCN1CCO[C@@H](C)C1 ZINC000629572430 356780990 /nfs/dbraw/zinc/78/09/90/356780990.db2.gz SLGURQDYLAJOPB-ZDUSSCGKSA-N 1 3 259.394 -0.125 20 0 CBADHO COC[C@@]1(C)CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673795 356789194 /nfs/dbraw/zinc/78/91/94/356789194.db2.gz IDOCZVHENYBSCU-DZGCQCFKSA-N 1 3 299.415 -0.079 20 0 CBADHO COC[C@]1(C)CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673798 356789239 /nfs/dbraw/zinc/78/92/39/356789239.db2.gz IDOCZVHENYBSCU-ZFWWWQNUSA-N 1 3 299.415 -0.079 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000629794694 356793418 /nfs/dbraw/zinc/79/34/18/356793418.db2.gz VAXXSTRRILUHQB-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000629800869 356794895 /nfs/dbraw/zinc/79/48/95/356794895.db2.gz CROHRXCGKLEKOS-LBPRGKRZSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000629800869 356794898 /nfs/dbraw/zinc/79/48/98/356794898.db2.gz CROHRXCGKLEKOS-LBPRGKRZSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000629799844 356795594 /nfs/dbraw/zinc/79/55/94/356795594.db2.gz VHRZDQZDJMXXPI-ZDUSSCGKSA-N 1 3 296.415 -0.262 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000629806596 356797427 /nfs/dbraw/zinc/79/74/27/356797427.db2.gz UWHKIJUIJAJCOH-UHFFFAOYSA-N 1 3 284.404 -0.262 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000629812710 356798462 /nfs/dbraw/zinc/79/84/62/356798462.db2.gz UHGZNOAKKVACOU-UHFFFAOYSA-N 1 3 284.404 -0.406 20 0 CBADHO CN(CC(=O)NC[C@](C)(O)C[NH+](C)C)C1CCC1 ZINC000629973875 356813602 /nfs/dbraw/zinc/81/36/02/356813602.db2.gz KHIKEZOFDFUVNF-ZDUSSCGKSA-N 1 3 257.378 -0.101 20 0 CBADHO O[C@H](C[NH2+]CC1(N2CCOCC2)CC1)CN1CCCC1 ZINC000629575423 356781546 /nfs/dbraw/zinc/78/15/46/356781546.db2.gz NJMIRDVDSPGOEU-CQSZACIVSA-N 1 3 283.416 -0.103 20 0 CBADHO O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)CN1CCCC1 ZINC000629575416 356781647 /nfs/dbraw/zinc/78/16/47/356781647.db2.gz NJMIRDVDSPGOEU-AWEZNQCLSA-N 1 3 283.416 -0.103 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)[C@H]1CCCO1)CN1CCCC1 ZINC000629590339 356783589 /nfs/dbraw/zinc/78/35/89/356783589.db2.gz VGBLKUOCFVVYKC-FRRDWIJNSA-N 1 3 258.362 -0.427 20 0 CBADHO OC[C@@H](CN1CCCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596024 356784762 /nfs/dbraw/zinc/78/47/62/356784762.db2.gz QADQRNGGCSXGER-CABCVRRESA-N 1 3 285.432 -0.121 20 0 CBADHO CN1CCOC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000629600078 356785140 /nfs/dbraw/zinc/78/51/40/356785140.db2.gz RHLVXQSGWKWINI-OLZOCXBDSA-N 1 3 257.378 -0.637 20 0 CBADHO OC[C@H](CN1CCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596048 356785200 /nfs/dbraw/zinc/78/52/00/356785200.db2.gz QTTNURBNPXSDSH-KBPBESRZSA-N 1 3 271.405 -0.511 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629610027 356787380 /nfs/dbraw/zinc/78/73/80/356787380.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 1 3 298.431 -0.628 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629610027 356787384 /nfs/dbraw/zinc/78/73/84/356787384.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 1 3 298.431 -0.628 20 0 CBADHO CC[C@H](NC(C)=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000630931401 356867816 /nfs/dbraw/zinc/86/78/16/356867816.db2.gz QGBNWOJGJHZWJB-ZDUSSCGKSA-N 1 3 286.420 -0.147 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000630343949 356835741 /nfs/dbraw/zinc/83/57/41/356835741.db2.gz YSBRYUSKTUDDDV-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)[C@](C)(C[NH3+])C1 ZINC000630373480 356840362 /nfs/dbraw/zinc/84/03/62/356840362.db2.gz KGSPWAYVQFIZDN-LAEOZQHASA-N 1 3 265.304 -0.066 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000631902601 356918561 /nfs/dbraw/zinc/91/85/61/356918561.db2.gz MNRYIDDYTPQDGX-LLVKDONJSA-N 1 3 263.407 0.000 20 0 CBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCNC1CC1 ZINC000631903239 356919024 /nfs/dbraw/zinc/91/90/24/356919024.db2.gz CMCHTCTXGPPXGQ-UHFFFAOYSA-N 1 3 276.406 -0.743 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)CCCN(C)C)CC[C@@H]1[NH3+] ZINC000631905535 356920603 /nfs/dbraw/zinc/92/06/03/356920603.db2.gz PGZCDGZQTMWFAG-MNOVXSKESA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000631907915 356921291 /nfs/dbraw/zinc/92/12/91/356921291.db2.gz XDELOEHEZHHEQO-WDEREUQCSA-N 1 3 279.406 -0.684 20 0 CBADHO C[C@@H](CCC[NH3+])NS(=O)(=O)CCCN(C)C ZINC000631939497 356928857 /nfs/dbraw/zinc/92/88/57/356928857.db2.gz BVRFJNBOBADQQO-JTQLQIEISA-N 1 3 251.396 -0.015 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000631940829 356929551 /nfs/dbraw/zinc/92/95/51/356929551.db2.gz HPVQKOUKFHFEHN-LLVKDONJSA-N 1 3 279.406 -0.764 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000631942173 356930602 /nfs/dbraw/zinc/93/06/02/356930602.db2.gz QWKHULUFFQCRIL-QWRGUYRKSA-N 1 3 263.407 -0.015 20 0 CBADHO C[NH2+]CCOCCN(C)S(=O)(=O)CCCN(C)C ZINC000631954110 356934068 /nfs/dbraw/zinc/93/40/68/356934068.db2.gz BPJPYEDOJTVYOK-UHFFFAOYSA-N 1 3 281.422 -0.564 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633089674 357042008 /nfs/dbraw/zinc/04/20/08/357042008.db2.gz ZYVVSTOLAJJVOT-TUAOUCFPSA-N 1 3 280.372 -0.888 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 ZINC000633104188 357046007 /nfs/dbraw/zinc/04/60/07/357046007.db2.gz WMKAUDKMWVVZJY-RYUDHWBXSA-N 1 3 294.399 -0.498 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000633116124 357049372 /nfs/dbraw/zinc/04/93/72/357049372.db2.gz PFSBXIBAOJFHTC-WOPDTQHZSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000633117996 357050163 /nfs/dbraw/zinc/05/01/63/357050163.db2.gz HEBFYGFMVRZXEQ-NNYUYHANSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000633118257 357050169 /nfs/dbraw/zinc/05/01/69/357050169.db2.gz IDVHGVVTCDZLQG-NEPJUHHUSA-N 1 3 296.415 -0.123 20 0 CBADHO CC(C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)S(C)(=O)=O ZINC000634767016 357134045 /nfs/dbraw/zinc/13/40/45/357134045.db2.gz FLZPOUUATFSEHJ-NGZCFLSTSA-N 1 3 260.359 -0.322 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]1NCCCN1CCCS1(=O)=O ZINC000635005217 357142279 /nfs/dbraw/zinc/14/22/79/357142279.db2.gz SNAMRVGHYBOOLI-MNOVXSKESA-N 1 3 261.391 -0.119 20 0 CBADHO [NH3+][C@H]1CCC[C@H]1NCCCN1CCCS1(=O)=O ZINC000635005220 357142818 /nfs/dbraw/zinc/14/28/18/357142818.db2.gz SNAMRVGHYBOOLI-WDEREUQCSA-N 1 3 261.391 -0.119 20 0 CBADHO C[NH2+]C[C@H](O)CNC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719888 357129392 /nfs/dbraw/zinc/12/93/92/357129392.db2.gz AXNGGKZWSARGQH-JKSUJKDBSA-N 1 3 293.411 -0.207 20 0 CBADHO C[NH2+]C[C@@H](O)CNC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719885 357129473 /nfs/dbraw/zinc/12/94/73/357129473.db2.gz AXNGGKZWSARGQH-CVEARBPZSA-N 1 3 293.411 -0.207 20 0 CBADHO C[NH+]1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636468847 357286019 /nfs/dbraw/zinc/28/60/19/357286019.db2.gz UFZGYDISIMDWDZ-GFCCVEGCSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000636047479 357255797 /nfs/dbraw/zinc/25/57/97/357255797.db2.gz KCPSFRIDNNSQKO-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000636047479 357255806 /nfs/dbraw/zinc/25/58/06/357255806.db2.gz KCPSFRIDNNSQKO-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000636140055 357267909 /nfs/dbraw/zinc/26/79/09/357267909.db2.gz MFDIPOCMKKXFOA-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000636140055 357267910 /nfs/dbraw/zinc/26/79/10/357267910.db2.gz MFDIPOCMKKXFOA-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923885 357312281 /nfs/dbraw/zinc/31/22/81/357312281.db2.gz ZUEWBNAACWXYMG-KWCYVHTRSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923885 357312285 /nfs/dbraw/zinc/31/22/85/357312285.db2.gz ZUEWBNAACWXYMG-KWCYVHTRSA-N 1 3 296.415 -0.165 20 0 CBADHO C[NH2+]CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000637838582 357374776 /nfs/dbraw/zinc/37/47/76/357374776.db2.gz YJUGHSGFSVEZBT-UHFFFAOYSA-N 1 3 254.378 -0.650 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000637347933 357339406 /nfs/dbraw/zinc/33/94/06/357339406.db2.gz NVCBHCGDBJPBID-CYBMUJFWSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCCCN1CCO ZINC000637347758 357339583 /nfs/dbraw/zinc/33/95/83/357339583.db2.gz KBBHLZJQYBCXJF-ZDUSSCGKSA-N 1 3 284.404 -0.116 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000637801743 357366768 /nfs/dbraw/zinc/36/67/68/357366768.db2.gz MVTINMFEOSDVLO-LBPRGKRZSA-N 1 3 265.361 -0.121 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@H]2CCC[NH2+]C2)cn1 ZINC000637806250 357367910 /nfs/dbraw/zinc/36/79/10/357367910.db2.gz VOQJZNWUQKCYEA-LBPRGKRZSA-N 1 3 265.361 -0.074 20 0 CBADHO CC(C)CC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000637811198 357368939 /nfs/dbraw/zinc/36/89/39/357368939.db2.gz NQENGYWSOQTFTB-LBPRGKRZSA-N 1 3 256.394 -0.229 20 0 CBADHO O=C(CN1CCNCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238838 357441548 /nfs/dbraw/zinc/44/15/48/357441548.db2.gz CRHJIYYYGJMQLA-CQSZACIVSA-N 1 3 280.416 -0.260 20 0 CBADHO CC1CCN(CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638069143 357409631 /nfs/dbraw/zinc/40/96/31/357409631.db2.gz HTEMJUICDPWLQI-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638070788 357410046 /nfs/dbraw/zinc/41/00/46/357410046.db2.gz AGKMPWZVBXECNU-WDEREUQCSA-N 1 3 259.350 -0.813 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638070788 357410049 /nfs/dbraw/zinc/41/00/49/357410049.db2.gz AGKMPWZVBXECNU-WDEREUQCSA-N 1 3 259.350 -0.813 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCC(O)CC2)C1 ZINC000638069927 357410061 /nfs/dbraw/zinc/41/00/61/357410061.db2.gz NQAPPOGIBBNRBX-DZGCQCFKSA-N 1 3 299.415 -0.284 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000638070641 357410209 /nfs/dbraw/zinc/41/02/09/357410209.db2.gz TUEZJVVSYZFACH-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)C[NH+]1CCCC1 ZINC000638074623 357410907 /nfs/dbraw/zinc/41/09/07/357410907.db2.gz NIKKQPXZHZUBEY-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000638077364 357412066 /nfs/dbraw/zinc/41/20/66/357412066.db2.gz RRFNEXPLKSGVJO-GVXVVHGQSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCN1CCC(NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638078157 357412230 /nfs/dbraw/zinc/41/22/30/357412230.db2.gz DVIORVTYXGBYBQ-HIFRSBDPSA-N 1 3 299.415 -0.020 20 0 CBADHO COCCN1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638079935 357412387 /nfs/dbraw/zinc/41/23/87/357412387.db2.gz XHRBLLGHVVGWQA-HNNXBMFYSA-N 1 3 299.415 -0.031 20 0 CBADHO CC[NH+]1CCC(CNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638077872 357412657 /nfs/dbraw/zinc/41/26/57/357412657.db2.gz CFQHCWFLTUPCJT-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638242866 357442443 /nfs/dbraw/zinc/44/24/43/357442443.db2.gz IRPJNKYXPIBRJA-IMRBUKKESA-N 1 3 285.388 -0.695 20 0 CBADHO COC1CCN(CCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638125164 357421641 /nfs/dbraw/zinc/42/16/41/357421641.db2.gz IMXRXCHCYFATRW-HNNXBMFYSA-N 1 3 299.415 -0.031 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638122086 357422340 /nfs/dbraw/zinc/42/23/40/357422340.db2.gz HTMQVSAQRRQJOM-TZMCWYRMSA-N 1 3 287.404 -0.162 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638129503 357423373 /nfs/dbraw/zinc/42/33/73/357423373.db2.gz AIBJXURHHYGWKQ-GRYCIOLGSA-N 1 3 273.377 -0.424 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135919 357423640 /nfs/dbraw/zinc/42/36/40/357423640.db2.gz VSVXWQXGJRKUQN-WCQYABFASA-N 1 3 266.389 -0.510 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134733 357423918 /nfs/dbraw/zinc/42/39/18/357423918.db2.gz OIFVKIGMXNDBEA-NUGNTBJXSA-N 1 3 253.346 -0.299 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000638137617 357424065 /nfs/dbraw/zinc/42/40/65/357424065.db2.gz XDRJRNZNSBWHPW-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO O=C(CN1CC[NH2+]CC1)Nc1cnc2c(c1)CNCC2 ZINC000638151157 357425841 /nfs/dbraw/zinc/42/58/41/357425841.db2.gz FQKSYXGFBTVPOH-UHFFFAOYSA-N 1 3 275.356 -0.429 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000638148063 357425960 /nfs/dbraw/zinc/42/59/60/357425960.db2.gz VGCXJEPIPPUBRT-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000638148057 357426347 /nfs/dbraw/zinc/42/63/47/357426347.db2.gz VGCXJEPIPPUBRT-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[C@H]1CN(C(=O)CN2CCNCC2)CC[C@@H]1[NH3+] ZINC000638202715 357434523 /nfs/dbraw/zinc/43/45/23/357434523.db2.gz JECGMLSZIKGRMU-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638198939 357434651 /nfs/dbraw/zinc/43/46/51/357434651.db2.gz ACHNKEAYUIHRTD-NEPJUHHUSA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638210811 357434892 /nfs/dbraw/zinc/43/48/92/357434892.db2.gz KCLBCVCYNAHHMT-YPMHNXCESA-N 1 3 264.373 -0.091 20 0 CBADHO C[C@H]([NH3+])CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638210810 357435118 /nfs/dbraw/zinc/43/51/18/357435118.db2.gz KCLBCVCYNAHHMT-WCQYABFASA-N 1 3 264.373 -0.091 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CCO1 ZINC000637867155 357380306 /nfs/dbraw/zinc/38/03/06/357380306.db2.gz RXPCDJSAIVJYOF-QNWHQSFQSA-N 1 3 283.372 -0.576 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000638586511 357499083 /nfs/dbraw/zinc/49/90/83/357499083.db2.gz RSSYYRKFPPJRQG-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262801 357445311 /nfs/dbraw/zinc/44/53/11/357445311.db2.gz NTSGAVKHVCLAKV-ZIAGYGMSSA-N 1 3 280.416 -0.260 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638264890 357445973 /nfs/dbraw/zinc/44/59/73/357445973.db2.gz YSGMYOSIUWLZLT-LPWJVIDDSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N1CCN2CCC1CC2 ZINC000638279801 357450451 /nfs/dbraw/zinc/45/04/51/357450451.db2.gz SBZUPTFWBOUUIF-UHFFFAOYSA-N 1 3 252.362 -0.802 20 0 CBADHO COC[C@@]1(C(=O)NCCOCC[NH+](C)C)CCCCN1 ZINC000638290541 357451717 /nfs/dbraw/zinc/45/17/17/357451717.db2.gz IHDVFTOKXTXBRY-CQSZACIVSA-N 1 3 287.404 -0.161 20 0 CBADHO O=C(CN1CCNCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000638325117 357457787 /nfs/dbraw/zinc/45/77/87/357457787.db2.gz ZODILBWNVHGMDE-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000638333851 357458685 /nfs/dbraw/zinc/45/86/85/357458685.db2.gz VRPNPHZUUMWECQ-CHWSQXEVSA-N 1 3 287.404 -0.223 20 0 CBADHO COC[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCCN1 ZINC000638341868 357460490 /nfs/dbraw/zinc/46/04/90/357460490.db2.gz CPEIWFBWOCURBN-GXTWGEPZSA-N 1 3 285.388 -0.279 20 0 CBADHO C[C@@H]1C[C@@H](C)N(C(=O)CN2CCNCC2)C[C@@H]1C[NH3+] ZINC000638356757 357462471 /nfs/dbraw/zinc/46/24/71/357462471.db2.gz GLROTWNVVIVWJM-UPJWGTAASA-N 1 3 268.405 -0.277 20 0 CBADHO C[C@@H]1CC2(CN1C(=O)CN1CCNCC1)CC[NH2+]CC2 ZINC000638366449 357462480 /nfs/dbraw/zinc/46/24/80/357462480.db2.gz OQDWELXEAXOSNR-CYBMUJFWSA-N 1 3 280.416 -0.118 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638374840 357463676 /nfs/dbraw/zinc/46/36/76/357463676.db2.gz BLWBEJXJBQQFMS-LBPRGKRZSA-N 1 3 266.389 -0.318 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638374839 357463892 /nfs/dbraw/zinc/46/38/92/357463892.db2.gz BLWBEJXJBQQFMS-GFCCVEGCSA-N 1 3 266.389 -0.318 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638438792 357476193 /nfs/dbraw/zinc/47/61/93/357476193.db2.gz CQKBQIXNDLHBGM-AWEZNQCLSA-N 1 3 287.404 -0.161 20 0 CBADHO C[C@]1(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000638439852 357477458 /nfs/dbraw/zinc/47/74/58/357477458.db2.gz LHOTXPHUTJLECZ-GVXVVHGQSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@]1(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000638439854 357477538 /nfs/dbraw/zinc/47/75/38/357477538.db2.gz LHOTXPHUTJLECZ-MDZLAQPJSA-N 1 3 253.346 -0.282 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCOC3(CNC3)C2)CC1 ZINC000638440315 357477544 /nfs/dbraw/zinc/47/75/44/357477544.db2.gz PJGNDMNEYHEHFT-UHFFFAOYSA-N 1 3 253.346 -0.471 20 0 CBADHO C[C@]1(NC(=O)[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000638439853 357477740 /nfs/dbraw/zinc/47/77/40/357477740.db2.gz LHOTXPHUTJLECZ-LOWVWBTDSA-N 1 3 253.346 -0.282 20 0 CBADHO CC(C)[C@H]1CNCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638484129 357483112 /nfs/dbraw/zinc/48/31/12/357483112.db2.gz OLSIWTPYJYPMDA-NWDGAFQWSA-N 1 3 255.362 -0.179 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513564 357492173 /nfs/dbraw/zinc/49/21/73/357492173.db2.gz NEVBUUOMHPDQAL-NSHDSACASA-N 1 3 252.362 -0.708 20 0 CBADHO CCN(CC[NH3+])C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000638518784 357492935 /nfs/dbraw/zinc/49/29/35/357492935.db2.gz QBAFWHZRVFVQPU-LLVKDONJSA-N 1 3 270.377 -0.796 20 0 CBADHO COC[C@@]1(C(=O)NCC2([NH3+])CCOCC2)CCCCN1 ZINC000638540921 357494727 /nfs/dbraw/zinc/49/47/27/357494727.db2.gz COXZALPRNASKOG-CQSZACIVSA-N 1 3 285.388 -0.231 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[NH2+]1 ZINC000638641636 357514724 /nfs/dbraw/zinc/51/47/24/357514724.db2.gz GDZCDAWONYHGNM-AGIUHOORSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[NH2+]1 ZINC000638641638 357514793 /nfs/dbraw/zinc/51/47/93/357514793.db2.gz GDZCDAWONYHGNM-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN1CCN(CCC(=O)NCCOCCC[NH3+])CC1 ZINC000638661071 357517229 /nfs/dbraw/zinc/51/72/29/357517229.db2.gz KINJRPLEKBZKMI-UHFFFAOYSA-N 1 3 286.420 -0.504 20 0 CBADHO COC[C@]1(C(=O)NCCOCCC[NH3+])CCCCN1 ZINC000638664527 357518001 /nfs/dbraw/zinc/51/80/01/357518001.db2.gz OSKCUCHIWPXTIY-ZDUSSCGKSA-N 1 3 273.377 -0.373 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000638674537 357518844 /nfs/dbraw/zinc/51/88/44/357518844.db2.gz MGOJIDIOKIGVKJ-LALPHHSUSA-N 1 3 299.415 -0.047 20 0 CBADHO CN(CCOCC[NH3+])C(=O)C1(N)Cc2ccccc2C1 ZINC000638680645 357521072 /nfs/dbraw/zinc/52/10/72/357521072.db2.gz WIKFJZZMRNRURB-UHFFFAOYSA-N 1 3 277.368 -0.084 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801804 357531871 /nfs/dbraw/zinc/53/18/71/357531871.db2.gz LPCZAFWPOFAKNT-GBIKHYSHSA-N 1 3 255.362 -0.003 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802327 357532531 /nfs/dbraw/zinc/53/25/31/357532531.db2.gz TUZYRNGAJNIIKY-ZHSDAYTOSA-N 1 3 267.373 -0.003 20 0 CBADHO [NH3+][C@@H]1CCCCCN(C(=O)CN2CCNCC2)C1 ZINC000638829578 357535074 /nfs/dbraw/zinc/53/50/74/357535074.db2.gz LLBZRHJKMSDTPA-GFCCVEGCSA-N 1 3 254.378 -0.379 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638914126 357542796 /nfs/dbraw/zinc/54/27/96/357542796.db2.gz MJMDRDIFAHLNCE-STQMWFEESA-N 1 3 266.389 -0.413 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919985 357543988 /nfs/dbraw/zinc/54/39/88/357543988.db2.gz XBOILNNPSWQJCI-TUAOUCFPSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639022846 357553865 /nfs/dbraw/zinc/55/38/65/357553865.db2.gz RBUKIRYYYQEGSS-CHWSQXEVSA-N 1 3 266.389 -0.508 20 0 CBADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841664 357602853 /nfs/dbraw/zinc/60/28/53/357602853.db2.gz XLWXCELRGYFZDL-SDDRHHMPSA-N 1 3 282.388 -0.621 20 0 CBADHO C[N@H+]1CCCC[C@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841664 357602857 /nfs/dbraw/zinc/60/28/57/357602857.db2.gz XLWXCELRGYFZDL-SDDRHHMPSA-N 1 3 282.388 -0.621 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639943843 357620027 /nfs/dbraw/zinc/62/00/27/357620027.db2.gz GJYVRMDTALGWPB-ZLKJLUDKSA-N 1 3 283.372 -0.716 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639943843 357620030 /nfs/dbraw/zinc/62/00/30/357620030.db2.gz GJYVRMDTALGWPB-ZLKJLUDKSA-N 1 3 283.372 -0.716 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943841 357620186 /nfs/dbraw/zinc/62/01/86/357620186.db2.gz GJYVRMDTALGWPB-HONMWMINSA-N 1 3 283.372 -0.716 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943841 357620189 /nfs/dbraw/zinc/62/01/89/357620189.db2.gz GJYVRMDTALGWPB-HONMWMINSA-N 1 3 283.372 -0.716 20 0 CBADHO COCCN(C)C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641224895 357682471 /nfs/dbraw/zinc/68/24/71/357682471.db2.gz YVBRZOVLABKRKX-GXTWGEPZSA-N 1 3 297.403 -0.631 20 0 CBADHO CN(CCCNCc1ncnn1C)CC[NH+](C)C ZINC000641776182 357741959 /nfs/dbraw/zinc/74/19/59/357741959.db2.gz UORJQNPLXPWDCL-UHFFFAOYSA-N 1 3 254.382 -0.212 20 0 CBADHO CN1CCN(C(=O)CCN[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641800846 357742605 /nfs/dbraw/zinc/74/26/05/357742605.db2.gz HEINCJWLTGMRBS-NWDGAFQWSA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@H](N)C2(C)C)CC1 ZINC000641800846 357742611 /nfs/dbraw/zinc/74/26/11/357742611.db2.gz HEINCJWLTGMRBS-NWDGAFQWSA-N 1 3 268.405 -0.134 20 0 CBADHO NS(=O)(=O)CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798642 357742774 /nfs/dbraw/zinc/74/27/74/357742774.db2.gz PAMNNRPTOWNENK-HBNTYKKESA-N 1 3 261.391 -0.276 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642439381 357754065 /nfs/dbraw/zinc/75/40/65/357754065.db2.gz DJIZJGFLFCOHAK-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642732136 357760352 /nfs/dbraw/zinc/76/03/52/357760352.db2.gz DYACQPPGSGSDOZ-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642773406 357760953 /nfs/dbraw/zinc/76/09/53/357760953.db2.gz WOZOENYTXYYOER-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](NC(=O)C(=O)NC1CNC1)C(C)(C)C[NH+](C)C ZINC000642762324 357761188 /nfs/dbraw/zinc/76/11/88/357761188.db2.gz IGJYQNCNXQAWCD-VIFPVBQESA-N 1 3 270.377 -0.833 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCC1 ZINC000642785743 357762631 /nfs/dbraw/zinc/76/26/31/357762631.db2.gz GRVXFWOTUSFVJM-LBPRGKRZSA-N 1 3 294.399 -0.416 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642904542 357766634 /nfs/dbraw/zinc/76/66/34/357766634.db2.gz YNMFRVGYPIOQOP-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N1CCC[C@@H](C)C1 ZINC000642909367 357767299 /nfs/dbraw/zinc/76/72/99/357767299.db2.gz LMZPSTXATZKJSE-GRYCIOLGSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642909755 357767603 /nfs/dbraw/zinc/76/76/03/357767603.db2.gz STIAIBHUFBBNIS-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642925943 357771513 /nfs/dbraw/zinc/77/15/13/357771513.db2.gz ZZYJJKQWOITEDJ-GFCCVEGCSA-N 1 3 280.372 -0.839 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642966920 357773263 /nfs/dbraw/zinc/77/32/63/357773263.db2.gz NBPSPRQUCOMOIY-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000642961143 357773321 /nfs/dbraw/zinc/77/33/21/357773321.db2.gz QBTRAEBUKGVTOR-OLZOCXBDSA-N 1 3 296.415 -0.171 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCC1 ZINC000642979362 357774028 /nfs/dbraw/zinc/77/40/28/357774028.db2.gz YPQYYOXGNBOENJ-NSHDSACASA-N 1 3 280.372 -0.709 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000643591073 357791223 /nfs/dbraw/zinc/79/12/23/357791223.db2.gz DBLZOGDOPOFBOP-QWHCGFSZSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000643591071 357791816 /nfs/dbraw/zinc/79/18/16/357791816.db2.gz DBLZOGDOPOFBOP-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+](C)C ZINC000459035161 295953373 /nfs/dbraw/zinc/95/33/73/295953373.db2.gz DKQJWWORMRVHOG-NWDGAFQWSA-N 1 3 272.393 -0.092 20 0 CBADHO C[C@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000333422286 291139483 /nfs/dbraw/zinc/13/94/83/291139483.db2.gz SRIHMWXKBNWBAB-STQMWFEESA-N 1 3 295.431 -0.184 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419417653 283385216 /nfs/dbraw/zinc/38/52/16/283385216.db2.gz XKLZZEUDVYZINN-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000342005974 216186866 /nfs/dbraw/zinc/18/68/66/216186866.db2.gz XCODGCFXKZCFLI-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N(C)C ZINC000552157455 283977432 /nfs/dbraw/zinc/97/74/32/283977432.db2.gz PXZFTBUFTBAEMT-SRVKXCTJSA-N 1 3 257.378 -0.150 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 ZINC000228477346 189792954 /nfs/dbraw/zinc/79/29/54/189792954.db2.gz KGDFGEQGPIRMFC-HBNTYKKESA-N 1 3 266.345 -0.403 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236587807 189834231 /nfs/dbraw/zinc/83/42/31/189834231.db2.gz PHODEMCPXAPTKI-QWHCGFSZSA-N 1 3 298.431 -0.114 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC1=O ZINC000237162413 189866770 /nfs/dbraw/zinc/86/67/70/189866770.db2.gz AGMPSHYLEIJVEF-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC1=O ZINC000344048783 217028295 /nfs/dbraw/zinc/02/82/95/217028295.db2.gz NWGZVYKFYGBKJW-OLZOCXBDSA-N 1 3 296.415 -0.536 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048783 217028299 /nfs/dbraw/zinc/02/82/99/217028299.db2.gz NWGZVYKFYGBKJW-OLZOCXBDSA-N 1 3 296.415 -0.536 20 0 CBADHO [NH3+]CCCn1cc(C(=O)NCCNc2ccncc2)nn1 ZINC000574397385 335016004 /nfs/dbraw/zinc/01/60/04/335016004.db2.gz RGQZVGILYZVTQN-UHFFFAOYSA-N 1 3 289.343 -0.714 20 0 CBADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000344303840 217141201 /nfs/dbraw/zinc/14/12/01/217141201.db2.gz CMOZOPWLCUBHFD-CVEARBPZSA-N 1 3 298.475 -0.084 20 0 CBADHO CNC(=O)NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174612 372766393 /nfs/dbraw/zinc/76/63/93/372766393.db2.gz YVUAMQCMEJMXFQ-NXEZZACHSA-N 1 3 256.350 -0.109 20 0 CBADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[N@H+](C)C1CC1 ZINC000333402532 205290249 /nfs/dbraw/zinc/29/02/49/205290249.db2.gz QECIDJLXDMLAHU-NSHDSACASA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[N@@H+](C)C1CC1 ZINC000333402532 205290251 /nfs/dbraw/zinc/29/02/51/205290251.db2.gz QECIDJLXDMLAHU-NSHDSACASA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H]1CN(CCN(C)CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000313884374 372969277 /nfs/dbraw/zinc/96/92/77/372969277.db2.gz QBTKVKHFWIAJNC-GASCZTMLSA-N 1 3 284.448 -0.067 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000333941572 373013918 /nfs/dbraw/zinc/01/39/18/373013918.db2.gz PCUMEPARZPKHLO-GFCCVEGCSA-N 1 3 269.393 -0.715 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCOC1CNC1 ZINC000349025589 373087676 /nfs/dbraw/zinc/08/76/76/373087676.db2.gz ICVFLKWFBYZILV-CMPLNLGQSA-N 1 3 255.362 -0.001 20 0 CBADHO C[N@H+](C[C@H](O)CN1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357426 373103629 /nfs/dbraw/zinc/10/36/29/373103629.db2.gz MZOCZSGHJUPFEW-WCQYABFASA-N 1 3 255.362 -0.361 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357426 373103631 /nfs/dbraw/zinc/10/36/31/373103631.db2.gz MZOCZSGHJUPFEW-WCQYABFASA-N 1 3 255.362 -0.361 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000355319884 373126418 /nfs/dbraw/zinc/12/64/18/373126418.db2.gz RXYHVBYXKXJJRP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)NCCOCC[NH+](C)C ZINC000355333681 373130807 /nfs/dbraw/zinc/13/08/07/373130807.db2.gz CIUIYGZKMSIIFU-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(N)CC2)C1 ZINC000353596353 220181746 /nfs/dbraw/zinc/18/17/46/220181746.db2.gz IRXLJVVIPOQSPW-JTQLQIEISA-N 1 3 268.361 -0.819 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(N)CC2)C1 ZINC000353596353 220181749 /nfs/dbraw/zinc/18/17/49/220181749.db2.gz IRXLJVVIPOQSPW-JTQLQIEISA-N 1 3 268.361 -0.819 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000363738906 373507312 /nfs/dbraw/zinc/50/73/12/373507312.db2.gz IICOHXHVJMQKJX-WCQYABFASA-N 1 3 255.362 -0.320 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417434675 373629104 /nfs/dbraw/zinc/62/91/04/373629104.db2.gz ACCDVZQRMKKUEX-QWRGUYRKSA-N 1 3 258.366 -0.304 20 0 CBADHO COCCN(C)CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000417097861 373629162 /nfs/dbraw/zinc/62/91/62/373629162.db2.gz XLBYZPHKDJKYSG-NSHDSACASA-N 1 3 260.382 -0.009 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417092460 373629603 /nfs/dbraw/zinc/62/96/03/373629603.db2.gz MBCGXPMDTCITII-GFCCVEGCSA-N 1 3 272.393 -0.009 20 0 CBADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C1CC1 ZINC000418405937 373631299 /nfs/dbraw/zinc/63/12/99/373631299.db2.gz RTNDMBUQXPXNSB-CHWSQXEVSA-N 1 3 284.404 -0.130 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418549426 373633006 /nfs/dbraw/zinc/63/30/06/373633006.db2.gz KSNKRIMIRMTVNB-NEPJUHHUSA-N 1 3 272.393 -0.402 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029675 373634778 /nfs/dbraw/zinc/63/47/78/373634778.db2.gz RTXLPUFYMNGGJM-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419024904 373635339 /nfs/dbraw/zinc/63/53/39/373635339.db2.gz LGUSZYKCAFWJGZ-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCN)([NH+](C)C)C1 ZINC000418925704 373636618 /nfs/dbraw/zinc/63/66/18/373636618.db2.gz RKAGBDKPWXICBF-BXUZGUMPSA-N 1 3 284.404 -0.312 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419783813 373640554 /nfs/dbraw/zinc/64/05/54/373640554.db2.gz VQMLKNJBVDTBEX-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC[NH3+] ZINC000419813589 373641496 /nfs/dbraw/zinc/64/14/96/373641496.db2.gz GXYLLDKYOKQFQU-PHIMTYICSA-N 1 3 270.377 -0.560 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419785005 373641764 /nfs/dbraw/zinc/64/17/64/373641764.db2.gz XUFKLBMNWOFVCH-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH2+]C ZINC000419861904 373641824 /nfs/dbraw/zinc/64/18/24/373641824.db2.gz AOIYOBLYVZXFNZ-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887255 373644231 /nfs/dbraw/zinc/64/42/31/373644231.db2.gz DEXKYOOSKYZYIP-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336600 373649019 /nfs/dbraw/zinc/64/90/19/373649019.db2.gz IXVYHFDFMLNHRN-WDEREUQCSA-N 1 3 268.361 -0.237 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2CN)CC1 ZINC000420293969 373649860 /nfs/dbraw/zinc/64/98/60/373649860.db2.gz NWSGVFSPEBEORY-ZDUSSCGKSA-N 1 3 268.405 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CCCC[C@H]2CN)CC1 ZINC000420293969 373649867 /nfs/dbraw/zinc/64/98/67/373649867.db2.gz NWSGVFSPEBEORY-ZDUSSCGKSA-N 1 3 268.405 -0.036 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423598267 373658942 /nfs/dbraw/zinc/65/89/42/373658942.db2.gz VYJWHNNOSHLDDI-CHWSQXEVSA-N 1 3 296.415 -0.123 20 0 CBADHO CO[C@H](CN)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424239964 373666354 /nfs/dbraw/zinc/66/63/54/373666354.db2.gz OUMDSYHTORKWSD-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N(C)C ZINC000433376694 373675514 /nfs/dbraw/zinc/67/55/14/373675514.db2.gz OKMODAQFVDZMLW-WDEREUQCSA-N 1 3 280.376 -0.118 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CC[NH2+]CC1 ZINC000516467404 373811783 /nfs/dbraw/zinc/81/17/83/373811783.db2.gz BLKHUWQHGHEZFH-LBPRGKRZSA-N 1 3 270.377 -0.704 20 0 CBADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516555208 373816876 /nfs/dbraw/zinc/81/68/76/373816876.db2.gz JPJYAOLKUDCEHO-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000520219127 373829653 /nfs/dbraw/zinc/82/96/53/373829653.db2.gz VREIQQGXYLICCJ-ZIAGYGMSSA-N 1 3 276.384 -0.424 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000520841104 373837482 /nfs/dbraw/zinc/83/74/82/373837482.db2.gz DWBLAENATHWXES-XWLWVQCSSA-N 1 3 283.376 -0.934 20 0 CBADHO COCCNCCNC(=O)COC1CCC([NH3+])CC1 ZINC000515382036 373787358 /nfs/dbraw/zinc/78/73/58/373787358.db2.gz XJQPOILRTQGCLR-UHFFFAOYSA-N 1 3 273.377 -0.375 20 0 CBADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CSCN1 ZINC000515484660 373789301 /nfs/dbraw/zinc/78/93/01/373789301.db2.gz OKMYGFWJVWCWMM-WXRRBKDZSA-N 1 3 298.456 -0.019 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000515520871 373791396 /nfs/dbraw/zinc/79/13/96/373791396.db2.gz BEUBQULZEVTXJI-NEPJUHHUSA-N 1 3 271.409 -0.389 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986557 373853622 /nfs/dbraw/zinc/85/36/22/373853622.db2.gz LNVUHBLYANQEMA-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986555 373854002 /nfs/dbraw/zinc/85/40/02/373854002.db2.gz LNVUHBLYANQEMA-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529354183 374010154 /nfs/dbraw/zinc/01/01/54/374010154.db2.gz JUEQARZSUSBKFB-WCQYABFASA-N 1 3 282.388 -0.363 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529354184 374010259 /nfs/dbraw/zinc/01/02/59/374010259.db2.gz JUEQARZSUSBKFB-YPMHNXCESA-N 1 3 282.388 -0.363 20 0 CBADHO O=C1NCC[C@@H]1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239709 374069623 /nfs/dbraw/zinc/06/96/23/374069623.db2.gz HCZJEUIHJKDHSV-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO CNC(=O)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530564045 374087637 /nfs/dbraw/zinc/08/76/37/374087637.db2.gz IWYGCBBNZOABTM-UHFFFAOYSA-N 1 3 258.366 -0.926 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cnn(C)c1 ZINC000530641803 374092003 /nfs/dbraw/zinc/09/20/03/374092003.db2.gz NYYVQBBFIVICLD-UHFFFAOYSA-N 1 3 281.404 -0.086 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCNC1=O ZINC000530641440 374092240 /nfs/dbraw/zinc/09/22/40/374092240.db2.gz ZVSPPAVBAOKZOK-UHFFFAOYSA-N 1 3 299.419 -0.647 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSCC(N)=O ZINC000532013842 374156009 /nfs/dbraw/zinc/15/60/09/374156009.db2.gz JEBHNGIGWKFAKY-UHFFFAOYSA-N 1 3 290.433 -0.843 20 0 CBADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCN(C)C ZINC000552082088 374260813 /nfs/dbraw/zinc/26/08/13/374260813.db2.gz FZGZPNBXKITMFH-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCCN(C)C ZINC000552082088 374260818 /nfs/dbraw/zinc/26/08/18/374260818.db2.gz FZGZPNBXKITMFH-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])C[C@@H]21 ZINC000577947010 374346510 /nfs/dbraw/zinc/34/65/10/374346510.db2.gz XURWOKMRMPBMKI-UPJWGTAASA-N 1 3 294.399 -0.511 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964063 374346840 /nfs/dbraw/zinc/34/68/40/374346840.db2.gz XHWFZLYOZQOBRW-USZNOCQGSA-N 1 3 280.372 -0.726 20 0 CBADHO O=C(CCOC1CNC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145981 374493553 /nfs/dbraw/zinc/49/35/53/374493553.db2.gz XFLCFRZNJJOANI-LLVKDONJSA-N 1 3 253.346 -0.377 20 0 CBADHO C[N@H+](C[C@@H](O)CNC[C@H]1CCCNC1=O)C1CC1 ZINC000644555023 374592667 /nfs/dbraw/zinc/59/26/67/374592667.db2.gz AOPWOGNGTMYCTQ-PWSUYJOCSA-N 1 3 255.362 -0.443 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC[C@H]1CCCNC1=O)C1CC1 ZINC000644555023 374592673 /nfs/dbraw/zinc/59/26/73/374592673.db2.gz AOPWOGNGTMYCTQ-PWSUYJOCSA-N 1 3 255.362 -0.443 20 0 CBADHO C[N@H+](C[C@H](O)CNC[C@@H]1CCCNC1=O)C1CC1 ZINC000644555021 374592943 /nfs/dbraw/zinc/59/29/43/374592943.db2.gz AOPWOGNGTMYCTQ-CMPLNLGQSA-N 1 3 255.362 -0.443 20 0 CBADHO C[N@@H+](C[C@H](O)CNC[C@@H]1CCCNC1=O)C1CC1 ZINC000644555021 374592950 /nfs/dbraw/zinc/59/29/50/374592950.db2.gz AOPWOGNGTMYCTQ-CMPLNLGQSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@@H](C[NH2+]C[C@H](O)CN(C)C1CC1)CN1CCN(C)CC1 ZINC000644562663 374594111 /nfs/dbraw/zinc/59/41/11/374594111.db2.gz CQGOOFIASMIXEX-HOCLYGCPSA-N 1 3 298.475 -0.085 20 0 CBADHO C[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)CN1CCN(C)CC1 ZINC000644562661 374595428 /nfs/dbraw/zinc/59/54/28/374595428.db2.gz CQGOOFIASMIXEX-GDBMZVCRSA-N 1 3 298.475 -0.085 20 0 CBADHO C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC000645440021 374671941 /nfs/dbraw/zinc/67/19/41/374671941.db2.gz FCUOHLOHDJWAEF-RYUDHWBXSA-N 1 3 299.419 -0.302 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCOC2(CNC2)C1 ZINC000646216644 374759122 /nfs/dbraw/zinc/75/91/22/374759122.db2.gz LDCLIPSRZMRPAJ-VHSXEESVSA-N 1 3 256.350 -0.504 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953214 374716484 /nfs/dbraw/zinc/71/64/84/374716484.db2.gz IVGKYPYKEBIEEY-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953214 374716491 /nfs/dbraw/zinc/71/64/91/374716491.db2.gz IVGKYPYKEBIEEY-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(CC2CC2)C1 ZINC000645953157 374716965 /nfs/dbraw/zinc/71/69/65/374716965.db2.gz FLMKBXLPNXJMSQ-STQMWFEESA-N 1 3 294.399 -0.545 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646003211 374725338 /nfs/dbraw/zinc/72/53/38/374725338.db2.gz WMWYLRVVLIOESH-KBPBESRZSA-N 1 3 298.431 -0.411 20 0 CBADHO [NH3+]CCOCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000646675552 374804002 /nfs/dbraw/zinc/80/40/02/374804002.db2.gz RXQBDGPYJPVROF-UHFFFAOYSA-N 1 3 279.344 -0.595 20 0 CBADHO C[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)[C@@H]1C[NH3+] ZINC000646771600 374811108 /nfs/dbraw/zinc/81/11/08/374811108.db2.gz YXMFUZYGGNPMIL-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803742 374816690 /nfs/dbraw/zinc/81/66/90/374816690.db2.gz LTFXKBSLCVLUNH-HTQZYQBOSA-N 1 3 267.337 -0.864 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)N2CCNCC2)CCO1 ZINC000646844030 374825426 /nfs/dbraw/zinc/82/54/26/374825426.db2.gz NXIAOELINUFKFR-VXGBXAGGSA-N 1 3 284.404 -0.755 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646343891 374772503 /nfs/dbraw/zinc/77/25/03/374772503.db2.gz VUTMXCLAWWYTHU-AGIUHOORSA-N 1 3 267.373 -0.035 20 0 CBADHO N[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350131 374772701 /nfs/dbraw/zinc/77/27/01/374772701.db2.gz BSBBTACPADXCCZ-QWHCGFSZSA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000646408243 374775696 /nfs/dbraw/zinc/77/56/96/374775696.db2.gz VSVOZVMSNPQVGT-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000646411000 374776220 /nfs/dbraw/zinc/77/62/20/374776220.db2.gz AHGAANGMVRJJKT-LBPRGKRZSA-N 1 3 268.405 -0.119 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000647080759 374880741 /nfs/dbraw/zinc/88/07/41/374880741.db2.gz KJGYMPXIAQZPAG-KGLIPLIRSA-N 1 3 294.374 -0.112 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000647080760 374881055 /nfs/dbraw/zinc/88/10/55/374881055.db2.gz KJGYMPXIAQZPAG-UONOGXRCSA-N 1 3 294.374 -0.112 20 0 CBADHO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC000647086634 374884293 /nfs/dbraw/zinc/88/42/93/374884293.db2.gz NYZPFHFZXXWQCY-GFCCVEGCSA-N 1 3 255.362 -0.129 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3[NH2+]CC3(C)C)C[C@H]2N)cn1 ZINC000647096389 374886228 /nfs/dbraw/zinc/88/62/28/374886228.db2.gz PSYOGMDYHQNGGZ-QJPTWQEYSA-N 1 3 277.372 -0.329 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000646972133 374854646 /nfs/dbraw/zinc/85/46/46/374854646.db2.gz LZNACGSZBZJIBY-UWVGGRQHSA-N 1 3 259.375 -0.732 20 0 CBADHO CC[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000647014961 374859813 /nfs/dbraw/zinc/85/98/13/374859813.db2.gz DINMLCLKSRADJN-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000647014960 374860651 /nfs/dbraw/zinc/86/06/51/374860651.db2.gz DINMLCLKSRADJN-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN2CCC1CC2 ZINC000357001373 248307252 /nfs/dbraw/zinc/30/72/52/248307252.db2.gz SEKNXYAGXJZRMG-CQSZACIVSA-N 1 3 278.400 -0.317 20 0 CBADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN2CCC1CC2 ZINC000357001373 248307256 /nfs/dbraw/zinc/30/72/56/248307256.db2.gz SEKNXYAGXJZRMG-CQSZACIVSA-N 1 3 278.400 -0.317 20 0 CBADHO CS(=O)(=O)NC[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357067547 248315777 /nfs/dbraw/zinc/31/57/77/248315777.db2.gz FHEMPTMTPNQETM-NSHDSACASA-N 1 3 279.406 -0.777 20 0 CBADHO C[C@H](C[NH3+])C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000357240739 248337413 /nfs/dbraw/zinc/33/74/13/248337413.db2.gz KAXQGDYMXKQJMR-SNVBAGLBSA-N 1 3 296.375 -0.906 20 0 CBADHO C[C@H]1CN(CCOCC[NH3+])C[C@H]1N1CCOCC1 ZINC000357082082 248320157 /nfs/dbraw/zinc/32/01/57/248320157.db2.gz OOCJJNKGPYKNPE-QWHCGFSZSA-N 1 3 257.378 -0.386 20 0 CBADHO [NH3+]CCOCCN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000357090222 248320843 /nfs/dbraw/zinc/32/08/43/248320843.db2.gz ZYDFZONJTVNEBX-UHFFFAOYSA-N 1 3 298.431 -0.408 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000357235290 248336786 /nfs/dbraw/zinc/33/67/86/248336786.db2.gz BOUAZKAXWFSFBJ-GFCCVEGCSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357237261 248337170 /nfs/dbraw/zinc/33/71/70/248337170.db2.gz GXVRUMABJOXGJR-LBPRGKRZSA-N 1 3 256.394 -0.275 20 0 CBADHO C[C@H](C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000357249351 248339596 /nfs/dbraw/zinc/33/95/96/248339596.db2.gz SEMRDJANRNHQFP-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357303233 248347230 /nfs/dbraw/zinc/34/72/30/248347230.db2.gz IHQZEVWIQLQANE-RSLMWUCJSA-N 1 3 284.404 -0.411 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419732936 284627481 /nfs/dbraw/zinc/62/74/81/284627481.db2.gz NFFDCZMIJYFGLI-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346863700 218041798 /nfs/dbraw/zinc/04/17/98/218041798.db2.gz XYUWUDZNQNBZEI-CYZMBNFOSA-N 1 3 292.383 -0.357 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574755015 335044744 /nfs/dbraw/zinc/04/47/44/335044744.db2.gz SFXBUUSGDBOCBD-AVGNSLFASA-N 1 3 267.373 -0.177 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H](C)N1 ZINC000153578721 207381658 /nfs/dbraw/zinc/38/16/58/207381658.db2.gz GJWPRVTWUUZURM-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418709503 284980717 /nfs/dbraw/zinc/98/07/17/284980717.db2.gz VBOONAPVXDSFFE-WDEREUQCSA-N 1 3 260.382 -0.058 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417443334 207554585 /nfs/dbraw/zinc/55/45/85/207554585.db2.gz XWYSYIQKVWDJEI-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000349024887 285031910 /nfs/dbraw/zinc/03/19/10/285031910.db2.gz FVGHUWDXCRKQSD-LBPRGKRZSA-N 1 3 285.388 -0.408 20 0 CBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420024955 207778167 /nfs/dbraw/zinc/77/81/67/207778167.db2.gz ASDVTTHLQVWQKR-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167263616 285036108 /nfs/dbraw/zinc/03/61/08/285036108.db2.gz GLBYHYRVGNYARK-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187945327 285036645 /nfs/dbraw/zinc/03/66/45/285036645.db2.gz ZQGCLEHTDUCWPB-RWMBFGLXSA-N 1 3 285.388 -0.410 20 0 CBADHO O=C1NC(=O)N2CCN(CC3CC[NH2+]CC3)C[C@@H]12 ZINC000346991544 296357105 /nfs/dbraw/zinc/35/71/05/296357105.db2.gz TXFCBXXIACNDHD-JTQLQIEISA-N 1 3 252.318 -0.778 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427270794 208058569 /nfs/dbraw/zinc/05/85/69/208058569.db2.gz XZCJLJPGXDTFKU-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000427577187 208063376 /nfs/dbraw/zinc/06/33/76/208063376.db2.gz JRGLQXXUQCVNJG-WOPDTQHZSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000427577185 208063948 /nfs/dbraw/zinc/06/39/48/208063948.db2.gz JRGLQXXUQCVNJG-IJLUTSLNSA-N 1 3 255.362 -0.131 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)CC1=O ZINC000428532385 208091398 /nfs/dbraw/zinc/09/13/98/208091398.db2.gz LWDYNDYCKYMMHJ-CHWSQXEVSA-N 1 3 296.415 -0.406 20 0 CBADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(C[NH3+])CC1 ZINC000430638347 208168591 /nfs/dbraw/zinc/16/85/91/208168591.db2.gz FMJXNNINBKDCGJ-DGCLKSJQSA-N 1 3 296.415 -0.231 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)N)CC1 ZINC000430762316 208179300 /nfs/dbraw/zinc/17/93/00/208179300.db2.gz AWDUNPITCLMOJB-UHFFFAOYSA-N 1 3 256.394 -0.134 20 0 CBADHO CN1CCN(CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431010812 208197574 /nfs/dbraw/zinc/19/75/74/208197574.db2.gz RSONXCWLONKOTD-AWEZNQCLSA-N 1 3 298.431 -0.491 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431012791 208199317 /nfs/dbraw/zinc/19/93/17/208199317.db2.gz GWAKPKYXILPVTG-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[C@H](C)[NH3+])CC1 ZINC000431031446 208203118 /nfs/dbraw/zinc/20/31/18/208203118.db2.gz ZPAFDVMANSWBIP-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN(C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433383913 208245298 /nfs/dbraw/zinc/24/52/98/208245298.db2.gz BUULACYSKOFLBE-LLVKDONJSA-N 1 3 280.376 -0.116 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000434711618 208268612 /nfs/dbraw/zinc/26/86/12/208268612.db2.gz QGMMCRWMZHYDFN-QJPTWQEYSA-N 1 3 255.362 -0.036 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000449344147 208496601 /nfs/dbraw/zinc/49/66/01/208496601.db2.gz PKKLKNZBOVJGJR-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000574857916 335052469 /nfs/dbraw/zinc/05/24/69/335052469.db2.gz KLDZGWZOGRVEAC-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000574857916 335052471 /nfs/dbraw/zinc/05/24/71/335052471.db2.gz KLDZGWZOGRVEAC-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC(NC(=O)CN(C)[C@H](C)C[NH3+])CC1 ZINC000430958457 285188433 /nfs/dbraw/zinc/18/84/33/285188433.db2.gz SNBKUDMHSAGBDT-LLVKDONJSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419980817 285256007 /nfs/dbraw/zinc/25/60/07/285256007.db2.gz RJZFNJBXEATJNW-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420021108 285256152 /nfs/dbraw/zinc/25/61/52/285256152.db2.gz UALRVIBLLUNRPC-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CO ZINC000448853462 285276913 /nfs/dbraw/zinc/27/69/13/285276913.db2.gz PJMKQLQPAYESQZ-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CO ZINC000448853462 285276916 /nfs/dbraw/zinc/27/69/16/285276916.db2.gz PJMKQLQPAYESQZ-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419980816 285285049 /nfs/dbraw/zinc/28/50/49/285285049.db2.gz RJZFNJBXEATJNW-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357237108 285317972 /nfs/dbraw/zinc/31/79/72/285317972.db2.gz FELQGPNIIJVVPV-ZDUSSCGKSA-N 1 3 270.421 -0.014 20 0 CBADHO C[N@H+](C[C@H](O)CNC[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117401 335068367 /nfs/dbraw/zinc/06/83/67/335068367.db2.gz MPOQBOJRCHRMGN-YPMHNXCESA-N 1 3 255.362 -0.300 20 0 CBADHO C[N@@H+](C[C@H](O)CNC[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117401 335068369 /nfs/dbraw/zinc/06/83/69/335068369.db2.gz MPOQBOJRCHRMGN-YPMHNXCESA-N 1 3 255.362 -0.300 20 0 CBADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CNCCO2)CCC1 ZINC000333641489 289050326 /nfs/dbraw/zinc/05/03/26/289050326.db2.gz UKFXBZJXVYCCGF-NSHDSACASA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812534 296585746 /nfs/dbraw/zinc/58/57/46/296585746.db2.gz OLXDRPCIOUIQES-VXGBXAGGSA-N 1 3 254.378 -0.604 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417760044 292336983 /nfs/dbraw/zinc/33/69/83/292336983.db2.gz XDKYOOPHYNLPPY-MNOVXSKESA-N 1 3 260.382 -0.010 20 0 CBADHO COCCCN1CCCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000365224619 292351747 /nfs/dbraw/zinc/35/17/47/292351747.db2.gz XNDMVGTUZSXFJH-CYBMUJFWSA-N 1 3 287.404 -0.079 20 0 CBADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)[C@H]1C[NH3+] ZINC000423743655 299816128 /nfs/dbraw/zinc/81/61/28/299816128.db2.gz VPBYEFXRBQZWJB-RYUDHWBXSA-N 1 3 284.404 -0.408 20 0 CBADHO C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)CN1 ZINC000333773907 296830169 /nfs/dbraw/zinc/83/01/69/296830169.db2.gz CLXHNRKLOYRCOK-VXGBXAGGSA-N 1 3 269.393 -0.717 20 0 CBADHO CCN1CCN(CCC(=O)N(C)CCC[NH3+])CC1 ZINC000037050037 411623867 /nfs/dbraw/zinc/62/38/67/411623867.db2.gz GKPVGASPYMPFMW-UHFFFAOYSA-N 1 3 256.394 -0.179 20 0 CBADHO CC[NH+](CC)CCCNS(=O)(=O)N1CCNCC1 ZINC000020247641 171100917 /nfs/dbraw/zinc/10/09/17/171100917.db2.gz GLIMECCEYVRARH-UHFFFAOYSA-N 1 3 278.422 -0.542 20 0 CBADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751283 413991010 /nfs/dbraw/zinc/99/10/10/413991010.db2.gz YPIOJKUIEJNFSI-VHSXEESVSA-N 1 3 279.344 -0.355 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2(C[NH3+])CCCC2)n1 ZINC000662748557 413992892 /nfs/dbraw/zinc/99/28/92/413992892.db2.gz AYWIBBWYYUUDGW-UHFFFAOYSA-N 1 3 279.344 -0.224 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751282 413993337 /nfs/dbraw/zinc/99/33/37/413993337.db2.gz YPIOJKUIEJNFSI-UWVGGRQHSA-N 1 3 279.344 -0.355 20 0 CBADHO CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H](C)[NH3+] ZINC000662750118 413994336 /nfs/dbraw/zinc/99/43/36/413994336.db2.gz PWDAPROYDRSEFF-PELKAZGASA-N 1 3 281.360 -0.124 20 0 CBADHO CN(C)C/C=C/C(=O)NCCCNC(=O)/C=C/C[NH+](C)C ZINC000286060067 196485009 /nfs/dbraw/zinc/48/50/09/196485009.db2.gz AMABWDRDAFHZLN-XVYDYJIPSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887559 287389221 /nfs/dbraw/zinc/38/92/21/287389221.db2.gz QPPNKEBWVFSVRR-JHJVBQTASA-N 1 3 296.415 -0.156 20 0 CBADHO COC(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000171657208 335073432 /nfs/dbraw/zinc/07/34/32/335073432.db2.gz RQAASSAMLLZRJU-UHFFFAOYSA-N 1 3 285.388 -0.061 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(C2CC2)C1 ZINC000354694005 227073114 /nfs/dbraw/zinc/07/31/14/227073114.db2.gz PSTGQGIQYXMZBW-AAEUAGOBSA-N 1 3 294.399 -0.402 20 0 CBADHO C[NH+](C)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367159415 228151521 /nfs/dbraw/zinc/15/15/21/228151521.db2.gz NXAYGKMSQCYTPW-CQSZACIVSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C)C1CN(c2nccnc2N2CC([NH+](C)C)C2)C1 ZINC000167367185 544477076 /nfs/dbraw/zinc/47/70/76/544477076.db2.gz MQTCKNGBLGRLTA-UHFFFAOYSA-N 1 3 276.388 -0.023 20 0 CBADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOC2(CNC2)C1 ZINC000333949261 544546902 /nfs/dbraw/zinc/54/69/02/544546902.db2.gz XCKFCNJJALXWCX-QWHCGFSZSA-N 1 3 294.399 -0.003 20 0 CBADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCOC2(CNC2)C1 ZINC000333949261 544546906 /nfs/dbraw/zinc/54/69/06/544546906.db2.gz XCKFCNJJALXWCX-QWHCGFSZSA-N 1 3 294.399 -0.003 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(C[NH3+])CC2)CC1=O ZINC000237159789 544508099 /nfs/dbraw/zinc/50/80/99/544508099.db2.gz SIPCVNZVZLWBKH-ZDUSSCGKSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(C)c(=O)c1 ZINC000103210873 419480465 /nfs/dbraw/zinc/48/04/65/419480465.db2.gz HFEBBCRLKNYCOT-UHFFFAOYSA-N 1 3 294.399 -0.049 20 0 CBADHO CCN1CCN(CCCNC(=O)C(C)(C)[NH3+])CC1 ZINC000082257255 419469868 /nfs/dbraw/zinc/46/98/68/419469868.db2.gz CEJNAKDZGAVYNH-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000638088762 419526187 /nfs/dbraw/zinc/52/61/87/419526187.db2.gz JPYHTXWHOWFQIH-SMDDNHRTSA-N 1 3 295.387 0.150 20 0 CBADHO CN(C[C@@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150681 419549451 /nfs/dbraw/zinc/54/94/51/419549451.db2.gz ACHBBNZUTMXBBI-JKSUJKDBSA-N 1 3 297.443 -0.028 20 0 CBADHO CN(C[C@@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150681 419549458 /nfs/dbraw/zinc/54/94/58/419549458.db2.gz ACHBBNZUTMXBBI-JKSUJKDBSA-N 1 3 297.443 -0.028 20 0 CBADHO OCCN(CCN1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662261408 419568463 /nfs/dbraw/zinc/56/84/63/419568463.db2.gz XKNLQQRHBKFCHQ-CQSZACIVSA-N 1 3 299.415 -0.866 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1C ZINC000388954265 544577369 /nfs/dbraw/zinc/57/73/69/544577369.db2.gz ZRUZEEYWCJRVIV-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1C ZINC000388954265 544577374 /nfs/dbraw/zinc/57/73/74/544577374.db2.gz ZRUZEEYWCJRVIV-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO CN1CCC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245196 419559808 /nfs/dbraw/zinc/55/98/08/419559808.db2.gz RZZIMJLYIOXLTG-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO O=C1NCCN1[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253716 419560689 /nfs/dbraw/zinc/56/06/89/419560689.db2.gz JZTTVTJLKAPNFK-QWHCGFSZSA-N 1 3 294.399 -0.003 20 0 CBADHO CCCN1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000389564089 544577614 /nfs/dbraw/zinc/57/76/14/544577614.db2.gz CTOYOUOQVRBCIB-SNVBAGLBSA-N 1 3 266.349 -0.549 20 0 CBADHO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000662273277 419565428 /nfs/dbraw/zinc/56/54/28/419565428.db2.gz NHSJWIPJVZJCRO-NEPJUHHUSA-N 1 3 265.361 -0.645 20 0 CBADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662259332 419565957 /nfs/dbraw/zinc/56/59/57/419565957.db2.gz VDOCUWHQXKEXFG-GHMZBOCLSA-N 1 3 255.362 -0.179 20 0 CBADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662259332 419565961 /nfs/dbraw/zinc/56/59/61/419565961.db2.gz VDOCUWHQXKEXFG-GHMZBOCLSA-N 1 3 255.362 -0.179 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cnc(N)n1 ZINC000633613942 419505064 /nfs/dbraw/zinc/50/50/64/419505064.db2.gz IJQWISYMLGUSLX-NSHDSACASA-N 1 3 297.407 -0.752 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cnc(N)n1 ZINC000633613942 419505071 /nfs/dbraw/zinc/50/50/71/419505071.db2.gz IJQWISYMLGUSLX-NSHDSACASA-N 1 3 297.407 -0.752 20 0 CBADHO [NH3+]CCn1cc(C(=O)NC2CC(N3CCCCC3)C2)nn1 ZINC000662532765 419635167 /nfs/dbraw/zinc/63/51/67/419635167.db2.gz FUKHUSKBERJRNJ-UHFFFAOYSA-N 1 3 292.387 -0.017 20 0 CBADHO C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000237585613 419579990 /nfs/dbraw/zinc/57/99/90/419579990.db2.gz ZPEWPAXGGYTTJB-ZFWWWQNUSA-N 1 3 282.432 -0.014 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317746 419583684 /nfs/dbraw/zinc/58/36/84/419583684.db2.gz RPCPONRKGOQLBL-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317746 419583693 /nfs/dbraw/zinc/58/36/93/419583693.db2.gz RPCPONRKGOQLBL-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)c1cccc2c1CCNC2 ZINC000662399718 419594850 /nfs/dbraw/zinc/59/48/50/419594850.db2.gz AZGDGHJEWJJIJZ-UHFFFAOYSA-N 1 3 288.395 -0.033 20 0 CBADHO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000647517591 419596739 /nfs/dbraw/zinc/59/67/39/419596739.db2.gz ZDDZHXTVRGEKEB-OLZOCXBDSA-N 1 3 285.388 -0.984 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000647541870 419607212 /nfs/dbraw/zinc/60/72/12/419607212.db2.gz ZNVIYZMXYUGNRP-MNOVXSKESA-N 1 3 290.358 -0.277 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000662479772 419617168 /nfs/dbraw/zinc/61/71/68/419617168.db2.gz MRWQSJFHDUOSFA-CHWSQXEVSA-N 1 3 270.421 -0.016 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000662479775 419617587 /nfs/dbraw/zinc/61/75/87/419617587.db2.gz MRWQSJFHDUOSFA-STQMWFEESA-N 1 3 270.421 -0.016 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000647595162 419620553 /nfs/dbraw/zinc/62/05/53/419620553.db2.gz QXFWTSHKBWNOKP-GVXVVHGQSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647605980 419621906 /nfs/dbraw/zinc/62/19/06/419621906.db2.gz SXMWNNSGGYECRW-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)CN1 ZINC000662514186 419630048 /nfs/dbraw/zinc/63/00/48/419630048.db2.gz LDKKOUPKBFUWTH-BDAKNGLRSA-N 1 3 252.322 -0.941 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830266 419664776 /nfs/dbraw/zinc/66/47/76/419664776.db2.gz FCSYPAJOJPHFKT-LBPRGKRZSA-N 1 3 254.378 -0.569 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC[NH2+]CC1 ZINC000662658464 419670011 /nfs/dbraw/zinc/67/00/11/419670011.db2.gz AHZPCPFVPJMYAB-UHFFFAOYSA-N 1 3 284.404 -0.536 20 0 CBADHO C[C@@H]([NH3+])CCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659575 419673937 /nfs/dbraw/zinc/67/39/37/419673937.db2.gz NOFLDZOHLYHSFK-LLVKDONJSA-N 1 3 272.393 -0.408 20 0 CBADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662660932 419674421 /nfs/dbraw/zinc/67/44/21/419674421.db2.gz ZWZPHNBFPRBTTR-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCCC[NH3+] ZINC000662659932 419675063 /nfs/dbraw/zinc/67/50/63/419675063.db2.gz QFAUZENLYCXWGL-UHFFFAOYSA-N 1 3 272.393 -0.406 20 0 CBADHO C[NH2+]CCCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662660882 419675298 /nfs/dbraw/zinc/67/52/98/419675298.db2.gz YVQKELFXBLMWMP-UHFFFAOYSA-N 1 3 272.393 -0.536 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)CNC[C@@H]1CCCO1 ZINC000662676473 419678928 /nfs/dbraw/zinc/67/89/28/419678928.db2.gz WXCZGHSIGMRHFQ-AKJDGMEZSA-N 1 3 253.346 -0.295 20 0 CBADHO COCCN(C)CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662685878 419681691 /nfs/dbraw/zinc/68/16/91/419681691.db2.gz ZYHVHEBTHDMUHS-NWDGAFQWSA-N 1 3 273.377 -0.565 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCSC1 ZINC000662681144 419681907 /nfs/dbraw/zinc/68/19/07/419681907.db2.gz BBXJDRMWCQANMV-MDZLAQPJSA-N 1 3 287.429 -0.096 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCSC1 ZINC000662681146 419682631 /nfs/dbraw/zinc/68/26/31/419682631.db2.gz BBXJDRMWCQANMV-WZRBSPASSA-N 1 3 287.429 -0.096 20 0 CBADHO [NH3+]CCn1cc(C(=O)N2CCC[C@H]2CN2CCCC2)nn1 ZINC000662698049 419691205 /nfs/dbraw/zinc/69/12/05/419691205.db2.gz NJOIAZDFFBHYDL-LBPRGKRZSA-N 1 3 292.387 -0.063 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000662703899 419694930 /nfs/dbraw/zinc/69/49/30/419694930.db2.gz QBQLLIAMBCNDCG-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000662703899 419694932 /nfs/dbraw/zinc/69/49/32/419694932.db2.gz QBQLLIAMBCNDCG-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CCCN1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000662703899 419694935 /nfs/dbraw/zinc/69/49/35/419694935.db2.gz QBQLLIAMBCNDCG-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CS(=O)(=O)NCC1CCN(CCOCC[NH3+])CC1 ZINC000647989081 419703200 /nfs/dbraw/zinc/70/32/00/419703200.db2.gz GKXAABMRTUXDSG-UHFFFAOYSA-N 1 3 279.406 -0.777 20 0 CBADHO CC[N@H+](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CC1 ZINC000647995701 419708657 /nfs/dbraw/zinc/70/86/57/419708657.db2.gz WFNREUBWWHGYMA-STQMWFEESA-N 1 3 284.404 -0.213 20 0 CBADHO CC[N@@H+](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CC1 ZINC000647995701 419708663 /nfs/dbraw/zinc/70/86/63/419708663.db2.gz WFNREUBWWHGYMA-STQMWFEESA-N 1 3 284.404 -0.213 20 0 CBADHO CN(CC[C@H]1CC[NH2+]C1)CCN1CCCS1(=O)=O ZINC000647995427 419709589 /nfs/dbraw/zinc/70/95/89/419709589.db2.gz XFDLDRIWTUYYEW-GFCCVEGCSA-N 1 3 275.418 -0.047 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000662755949 419711162 /nfs/dbraw/zinc/71/11/62/419711162.db2.gz DNLJJQBAPRCJFG-AVGNSLFASA-N 1 3 268.405 -0.277 20 0 CBADHO COCCNCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662763517 419711976 /nfs/dbraw/zinc/71/19/76/419711976.db2.gz DPDVBLAAGQRTFC-SNVBAGLBSA-N 1 3 283.294 -0.119 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)Cc1ccccc1 ZINC000647770074 419650573 /nfs/dbraw/zinc/65/05/73/419650573.db2.gz VXAGOCSUSNHNOE-OAHLLOKOSA-N 1 3 290.411 -0.080 20 0 CBADHO CCC[C@@](C)(N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769613 419651751 /nfs/dbraw/zinc/65/17/51/419651751.db2.gz BLAPFJWGSUIBPV-CYBMUJFWSA-N 1 3 256.394 -0.133 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)CC(F)F ZINC000647777285 419654545 /nfs/dbraw/zinc/65/45/45/419654545.db2.gz IPNAUOADGNLEIN-VIFPVBQESA-N 1 3 264.320 -0.668 20 0 CBADHO [NH3+]CCOCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106598 419732781 /nfs/dbraw/zinc/73/27/81/419732781.db2.gz DZJGXKFXWDJQDF-UHFFFAOYSA-N 1 3 250.302 -0.359 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000662819795 419738536 /nfs/dbraw/zinc/73/85/36/419738536.db2.gz OKFVTTCMHLTLMX-PDEGPIFNSA-N 1 3 263.345 -0.590 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648120131 419739216 /nfs/dbraw/zinc/73/92/16/419739216.db2.gz OIGVWRCOZJEKCL-PWSUYJOCSA-N 1 3 270.377 -0.656 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648120130 419739269 /nfs/dbraw/zinc/73/92/69/419739269.db2.gz OIGVWRCOZJEKCL-JQWIXIFHSA-N 1 3 270.377 -0.656 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1=O ZINC000648123612 419739364 /nfs/dbraw/zinc/73/93/64/419739364.db2.gz BOWMUZWRMMQJRL-UPJWGTAASA-N 1 3 294.399 -0.463 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000648121956 419740596 /nfs/dbraw/zinc/74/05/96/419740596.db2.gz CIXUFSNGQFFDRC-UMNHJUIQSA-N 1 3 270.377 -0.528 20 0 CBADHO CC[C@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC[C@H]1[NH3+] ZINC000648126356 419741684 /nfs/dbraw/zinc/74/16/84/419741684.db2.gz HDMOSJRHPCLDFR-LOWVWBTDSA-N 1 3 284.404 -0.328 20 0 CBADHO CC[C@@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC[C@H]1[NH3+] ZINC000648126358 419742219 /nfs/dbraw/zinc/74/22/19/419742219.db2.gz HDMOSJRHPCLDFR-WZRBSPASSA-N 1 3 284.404 -0.328 20 0 CBADHO CC[C@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC[C@@H]1[NH3+] ZINC000648126355 419743553 /nfs/dbraw/zinc/74/35/53/419743553.db2.gz HDMOSJRHPCLDFR-GVXVVHGQSA-N 1 3 284.404 -0.328 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])CC1=O ZINC000662845807 419743826 /nfs/dbraw/zinc/74/38/26/419743826.db2.gz WXTHOIBADGSZGY-NSHDSACASA-N 1 3 284.404 -0.408 20 0 CBADHO COCC1(CNC(=O)COC2(C)CNC2)CC[NH2+]CC1 ZINC000648133009 419745244 /nfs/dbraw/zinc/74/52/44/419745244.db2.gz PHBUBYOKICRKNA-UHFFFAOYSA-N 1 3 285.388 -0.503 20 0 CBADHO CC1(OCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CNC1 ZINC000648142860 419755813 /nfs/dbraw/zinc/75/58/13/419755813.db2.gz BIDVYKBRPPXXQN-TXEJJXNPSA-N 1 3 267.373 -0.177 20 0 CBADHO N[C@H]1CCCCN(CC(=O)NCC2([NH3+])CCCC2)C1=O ZINC000662863490 419757126 /nfs/dbraw/zinc/75/71/26/419757126.db2.gz RLBGOOXMFOHGOI-NSHDSACASA-N 1 3 282.388 -0.286 20 0 CBADHO C[C@H]1CCN(C(=O)COC2(C)CNC2)C[C@H]1C[NH3+] ZINC000648177705 419768933 /nfs/dbraw/zinc/76/89/33/419768933.db2.gz OXEIJUPNEABWIQ-WDEREUQCSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H]1CCN(C(=O)COC2(C)CNC2)C[C@@H]1C[NH3+] ZINC000648177703 419771042 /nfs/dbraw/zinc/77/10/42/419771042.db2.gz OXEIJUPNEABWIQ-MNOVXSKESA-N 1 3 255.362 -0.192 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662913644 419773069 /nfs/dbraw/zinc/77/30/69/419773069.db2.gz RXGHKTAJYRMPJG-QJPTWQEYSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000662924952 419778113 /nfs/dbraw/zinc/77/81/13/419778113.db2.gz BUTYNEGRKPJJPA-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO COCCNCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662973648 419801648 /nfs/dbraw/zinc/80/16/48/419801648.db2.gz SZNVQTQWORLRTC-CYBMUJFWSA-N 1 3 287.404 -0.208 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)[C@H](C[NH3+])C1 ZINC000662986217 419803697 /nfs/dbraw/zinc/80/36/97/419803697.db2.gz BJCNPVJRYMZYFK-NEPJUHHUSA-N 1 3 284.404 -0.408 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H](CN)C1 ZINC000662988915 419806887 /nfs/dbraw/zinc/80/68/87/419806887.db2.gz XMEZKXNBLPYEHJ-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN1CCC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000518497441 544601810 /nfs/dbraw/zinc/60/18/10/544601810.db2.gz XXSSUUXJIAWFLT-STQMWFEESA-N 1 3 283.420 -0.327 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516518 419822839 /nfs/dbraw/zinc/82/28/39/419822839.db2.gz GFIUBMABENOZSJ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)N(C)C ZINC000649271750 419858987 /nfs/dbraw/zinc/85/89/87/419858987.db2.gz VXAOFHJJQRJQLB-ZDUSSCGKSA-N 1 3 270.421 -0.064 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663218005 419829911 /nfs/dbraw/zinc/82/99/11/419829911.db2.gz VLNBAKOMUPFYQS-LLVKDONJSA-N 1 3 267.373 -0.035 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCOC2(CNC2)C1)[C@H](C)[NH3+] ZINC000663493019 419842566 /nfs/dbraw/zinc/84/25/66/419842566.db2.gz ZVTAHBADKKTWFK-WDEREUQCSA-N 1 3 255.362 -0.193 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662941634 419788434 /nfs/dbraw/zinc/78/84/34/419788434.db2.gz ADJLVHVQTXQTAK-UHFFFAOYSA-N 1 3 294.399 -0.511 20 0 CBADHO N[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[C@H]1F ZINC000662945645 419790141 /nfs/dbraw/zinc/79/01/41/419790141.db2.gz TVAKVTVTPRHFHZ-VXGBXAGGSA-N 1 3 295.362 -0.141 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000662966087 419795560 /nfs/dbraw/zinc/79/55/60/419795560.db2.gz OVUWIXLCYOYTQW-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncnn1C ZINC000664313746 419897596 /nfs/dbraw/zinc/89/75/96/419897596.db2.gz CKGUOPSDPUCUQC-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncnn1C ZINC000664313746 419897601 /nfs/dbraw/zinc/89/76/01/419897601.db2.gz CKGUOPSDPUCUQC-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)[C@H]2NCC2(C)C)n1 ZINC000649313257 419877827 /nfs/dbraw/zinc/87/78/27/419877827.db2.gz UYKRUHNYZXPRSZ-LLVKDONJSA-N 1 3 265.361 0.381 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318837 419879508 /nfs/dbraw/zinc/87/95/08/419879508.db2.gz OBDDLIZJXNPICT-NDBYEHHHSA-N 1 3 267.373 -0.321 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)COC2(C)CNC2)n1 ZINC000649313157 419879755 /nfs/dbraw/zinc/87/97/55/419879755.db2.gz FGAYENIUFMWIEQ-UHFFFAOYSA-N 1 3 281.360 -0.238 20 0 CBADHO O=C(NCCN1CCCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000649280637 419863200 /nfs/dbraw/zinc/86/32/00/419863200.db2.gz ANAYRGDRUDTANT-LBPRGKRZSA-N 1 3 292.387 -0.144 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350497 419899411 /nfs/dbraw/zinc/89/94/11/419899411.db2.gz IXPISXRZZHILSL-UPJWGTAASA-N 1 3 266.389 -0.510 20 0 CBADHO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664384011 419902822 /nfs/dbraw/zinc/90/28/22/419902822.db2.gz AEQAPUBFFYPWHC-RNJOBUHISA-N 1 3 284.404 -0.357 20 0 CBADHO CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664384011 419902826 /nfs/dbraw/zinc/90/28/26/419902826.db2.gz AEQAPUBFFYPWHC-RNJOBUHISA-N 1 3 284.404 -0.357 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350685 419903349 /nfs/dbraw/zinc/90/33/49/419903349.db2.gz YSKOXBMUZIYNNG-IGQOVBAYSA-N 1 3 280.416 -0.406 20 0 CBADHO COC[C@H](OC)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000668302393 544691911 /nfs/dbraw/zinc/69/19/11/544691911.db2.gz GICUQUJKGFVULG-LBPRGKRZSA-N 1 3 275.393 -0.400 20 0 CBADHO C[C@]1(C(=O)N2CCOC3(CNC3)C2)CCC[NH2+]C1 ZINC000664727494 419914980 /nfs/dbraw/zinc/91/49/80/419914980.db2.gz KMSHHSKWNKBEBC-LBPRGKRZSA-N 1 3 253.346 -0.423 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 ZINC000669491119 544750549 /nfs/dbraw/zinc/75/05/49/544750549.db2.gz MJBCDUVREGBCEK-STQMWFEESA-N 1 3 282.388 -0.160 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](CN)C1 ZINC000669512560 544750601 /nfs/dbraw/zinc/75/06/01/544750601.db2.gz AFKIIJIWRHTUBC-WOPDTQHZSA-N 1 3 254.378 -0.395 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669491557 544751353 /nfs/dbraw/zinc/75/13/53/544751353.db2.gz ZXUSXOQNMWSGNT-GFCCVEGCSA-N 1 3 270.377 -0.242 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751517 /nfs/dbraw/zinc/75/15/17/544751517.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 1 3 295.431 -0.245 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCN(C)C2CC2)CCO1 ZINC000669477830 544751759 /nfs/dbraw/zinc/75/17/59/544751759.db2.gz JJUHUQNKOHUPSE-PWSUYJOCSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CCN2)CCO1 ZINC000669512835 544752296 /nfs/dbraw/zinc/75/22/96/544752296.db2.gz ZRGQXQUYUCMWTJ-NOOOWODRSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CN1C1CC1 ZINC000669524697 544752409 /nfs/dbraw/zinc/75/24/09/544752409.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 1 3 295.431 -0.104 20 0 CBADHO CC(C)(C(=O)NCC[C@H]1CCC[NH2+]1)N1CCNCC1 ZINC000669514349 544752902 /nfs/dbraw/zinc/75/29/02/544752902.db2.gz ICGMVTNLGGASPH-GFCCVEGCSA-N 1 3 268.405 -0.072 20 0 CBADHO CN(C)CCN1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000649684737 419922352 /nfs/dbraw/zinc/92/23/52/419922352.db2.gz ADHINJTTWSXEGZ-CQSZACIVSA-N 1 3 298.431 -0.853 20 0 CBADHO CN(C)CCN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000649684737 419922358 /nfs/dbraw/zinc/92/23/58/419922358.db2.gz ADHINJTTWSXEGZ-CQSZACIVSA-N 1 3 298.431 -0.853 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000665295020 419937374 /nfs/dbraw/zinc/93/73/74/419937374.db2.gz ZRNZEDWNKYYWBZ-WCBMZHEXSA-N 1 3 251.334 -0.142 20 0 CBADHO COCCNCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364196880 420032429 /nfs/dbraw/zinc/03/24/29/420032429.db2.gz QQZMXEVRCZAMOE-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO CN(C)CCn1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000652611991 420070248 /nfs/dbraw/zinc/07/02/48/420070248.db2.gz DFSZPQCZPZAKQO-GDNZZTSVSA-N 1 3 278.360 -0.216 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC000365320866 420060968 /nfs/dbraw/zinc/06/09/68/420060968.db2.gz OSAURQQLFGKNPN-YIYPIFLZSA-N 1 3 299.415 -0.285 20 0 CBADHO COCCN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653112420 420117151 /nfs/dbraw/zinc/11/71/51/420117151.db2.gz YGQIOHFZACCAAZ-WFASDCNBSA-N 1 3 297.399 -0.551 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)NCCN1CCCCC1 ZINC000653106979 420117248 /nfs/dbraw/zinc/11/72/48/420117248.db2.gz SVGFMTRKZPTCLD-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CN(CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653113182 420118629 /nfs/dbraw/zinc/11/86/29/420118629.db2.gz VNMDQTLXGFUJFI-GWCFXTLKSA-N 1 3 253.346 -0.567 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000653117924 420119656 /nfs/dbraw/zinc/11/96/56/420119656.db2.gz ZPPBFKHMJXYPAB-OLZOCXBDSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC000653119805 420120388 /nfs/dbraw/zinc/12/03/88/420120388.db2.gz WWNLOMZPAOWVRQ-UHXUPSOCSA-N 1 3 267.373 -0.179 20 0 CBADHO C[C@@H](CNC(=O)CC(F)(F)CN)C[NH+]1CCN(C)CC1 ZINC000653124600 420120808 /nfs/dbraw/zinc/12/08/08/420120808.db2.gz BNMBAUOLOXBQIT-NSHDSACASA-N 1 3 292.374 -0.030 20 0 CBADHO CC(C)(C(=O)NCCC1(C[NH3+])CC1)N1CCNCC1 ZINC000653216192 420127988 /nfs/dbraw/zinc/12/79/88/420127988.db2.gz RGKLOINEXMCAGD-UHFFFAOYSA-N 1 3 268.405 -0.085 20 0 CBADHO C[C@H](CO)N[C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285191 420137047 /nfs/dbraw/zinc/13/70/47/420137047.db2.gz HJWPPGXHZMXHOV-NXEZZACHSA-N 1 3 257.334 -0.964 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N(C)C1CC1 ZINC000652686580 420072043 /nfs/dbraw/zinc/07/20/43/420072043.db2.gz KPXCRBWQXSLSNV-LLVKDONJSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)CN ZINC000652701065 420075880 /nfs/dbraw/zinc/07/58/80/420075880.db2.gz YRDWGDSIOAZGGN-LLVKDONJSA-N 1 3 272.393 -0.456 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)CN ZINC000652701065 420075883 /nfs/dbraw/zinc/07/58/83/420075883.db2.gz YRDWGDSIOAZGGN-LLVKDONJSA-N 1 3 272.393 -0.456 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CCN ZINC000652706647 420076143 /nfs/dbraw/zinc/07/61/43/420076143.db2.gz GGPKDKQRWKPLPI-UHFFFAOYSA-N 1 3 272.393 -0.502 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CCN ZINC000652706647 420076145 /nfs/dbraw/zinc/07/61/45/420076145.db2.gz GGPKDKQRWKPLPI-UHFFFAOYSA-N 1 3 272.393 -0.502 20 0 CBADHO C[NH+](C)C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC1 ZINC000654539690 420183999 /nfs/dbraw/zinc/18/39/99/420183999.db2.gz QSMQWQJDAKLKFH-QWHCGFSZSA-N 1 3 296.415 -0.069 20 0 CBADHO CC[C@@](C)(N)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000384183307 420200498 /nfs/dbraw/zinc/20/04/98/420200498.db2.gz RAXBVCJTVYBONK-DGCLKSJQSA-N 1 3 285.392 -0.199 20 0 CBADHO CC[C@@](C)(N)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183307 420200503 /nfs/dbraw/zinc/20/05/03/420200503.db2.gz RAXBVCJTVYBONK-DGCLKSJQSA-N 1 3 285.392 -0.199 20 0 CBADHO COCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368917383 420147571 /nfs/dbraw/zinc/14/75/71/420147571.db2.gz CORVPCQVYPRFOA-GHMZBOCLSA-N 1 3 256.350 -0.390 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649580 420155747 /nfs/dbraw/zinc/15/57/47/420155747.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649580 420155749 /nfs/dbraw/zinc/15/57/49/420155749.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369334316 420158303 /nfs/dbraw/zinc/15/83/03/420158303.db2.gz KDBCEISKZGVWKR-MXWKQRLJSA-N 1 3 271.386 -0.719 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369334315 420159117 /nfs/dbraw/zinc/15/91/17/420159117.db2.gz KDBCEISKZGVWKR-AXFHLTTASA-N 1 3 271.386 -0.719 20 0 CBADHO CC[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654351028 420174026 /nfs/dbraw/zinc/17/40/26/420174026.db2.gz AMHJICVXAPHTFY-UONOGXRCSA-N 1 3 296.415 -0.069 20 0 CBADHO C[C@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000654460821 420180029 /nfs/dbraw/zinc/18/00/29/420180029.db2.gz AZHQMRXVKMASBD-RFQIPJPRSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000654460821 420180033 /nfs/dbraw/zinc/18/00/33/420180033.db2.gz AZHQMRXVKMASBD-RFQIPJPRSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415223247 420239619 /nfs/dbraw/zinc/23/96/19/420239619.db2.gz XQBNIUFNKJYDPG-RYUDHWBXSA-N 1 3 294.403 0.564 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415223245 420239977 /nfs/dbraw/zinc/23/99/77/420239977.db2.gz XQBNIUFNKJYDPG-NWDGAFQWSA-N 1 3 294.403 0.564 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415223242 420240994 /nfs/dbraw/zinc/24/09/94/420240994.db2.gz XQBNIUFNKJYDPG-NEPJUHHUSA-N 1 3 294.403 0.564 20 0 CBADHO CC[NH2+]CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418321077 420241452 /nfs/dbraw/zinc/24/14/52/420241452.db2.gz XRVGVBHHNHCTFK-LBPRGKRZSA-N 1 3 272.393 -0.258 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419107310 420243051 /nfs/dbraw/zinc/24/30/51/420243051.db2.gz PMJYXMAPYXKBRD-WDEREUQCSA-N 1 3 282.388 -0.417 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418931738 420243171 /nfs/dbraw/zinc/24/31/71/420243171.db2.gz HHTZIZZJZIYCOH-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418931741 420244103 /nfs/dbraw/zinc/24/41/03/420244103.db2.gz HHTZIZZJZIYCOH-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987129 420247210 /nfs/dbraw/zinc/24/72/10/420247210.db2.gz CYJXUGFZEPWYOE-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419883361 420247819 /nfs/dbraw/zinc/24/78/19/420247819.db2.gz DDLBWARBVRGNGY-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422961634 420255527 /nfs/dbraw/zinc/25/55/27/420255527.db2.gz CPJAOUSKMQCGQS-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422967524 420255731 /nfs/dbraw/zinc/25/57/31/420255731.db2.gz CDENVJVSHZREIT-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655478182 420256141 /nfs/dbraw/zinc/25/61/41/420256141.db2.gz PFXPTGGXAWCADA-GVXVVHGQSA-N 1 3 253.346 -0.519 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)C(C)C ZINC000423512806 420257310 /nfs/dbraw/zinc/25/73/10/420257310.db2.gz RALAUTIOIDBCOE-UHFFFAOYSA-N 1 3 272.393 -0.537 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423727202 420257328 /nfs/dbraw/zinc/25/73/28/420257328.db2.gz QTANVGSASGFHMH-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO NC[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C(F)(F)F ZINC000655514840 420260867 /nfs/dbraw/zinc/26/08/67/420260867.db2.gz DMNCXBPNNQGQAL-ACLDMZEESA-N 1 3 251.252 -0.008 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923689 420278226 /nfs/dbraw/zinc/27/82/26/420278226.db2.gz BICUMWUJFJFQIH-IONNQARKSA-N 1 3 284.282 -0.758 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963696 420282412 /nfs/dbraw/zinc/28/24/12/420282412.db2.gz QSIGNNZTNNAKRN-NWDGAFQWSA-N 1 3 284.404 -0.036 20 0 CBADHO CC[NH2+]CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655961911 420282473 /nfs/dbraw/zinc/28/24/73/420282473.db2.gz CJULNLLDCABZFJ-WDEREUQCSA-N 1 3 256.350 -0.944 20 0 CBADHO CC[NH2+]CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655961310 420282815 /nfs/dbraw/zinc/28/28/15/420282815.db2.gz NFWSJWSATLOCHD-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](CN)C1 ZINC000655971119 420283942 /nfs/dbraw/zinc/28/39/42/420283942.db2.gz SVBJMRWOZMDQEU-FRRDWIJNSA-N 1 3 283.420 -0.389 20 0 CBADHO O=C(NCCC1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968641 420285645 /nfs/dbraw/zinc/28/56/45/420285645.db2.gz BXUAGFCPAIJBAE-UONOGXRCSA-N 1 3 296.415 -0.164 20 0 CBADHO CN(C[C@@H]1CCCN(C(=O)CN)C1)CC(C)(C)[NH3+] ZINC000656786465 420321945 /nfs/dbraw/zinc/32/19/45/420321945.db2.gz ZIKBGSCTJAXXNN-NSHDSACASA-N 1 3 256.394 -0.147 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514616220 420359619 /nfs/dbraw/zinc/35/96/19/420359619.db2.gz MTLVFVOKNUCJID-MMWGEVLESA-N 1 3 268.361 -0.870 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656021607 420292744 /nfs/dbraw/zinc/29/27/44/420292744.db2.gz CYGZRVHKSIRYHT-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019612 420293291 /nfs/dbraw/zinc/29/32/91/420293291.db2.gz HNPRKPDFRSZYDA-WDEREUQCSA-N 1 3 268.361 -0.806 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000446398361 420294843 /nfs/dbraw/zinc/29/48/43/420294843.db2.gz YFZQWBLUQPCLDD-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@@H](NC[C@@H]2CCCCO2)C1=O ZINC000516935307 420368694 /nfs/dbraw/zinc/36/86/94/420368694.db2.gz SCMFGFWYJNOXSZ-NWDGAFQWSA-N 1 3 283.372 -0.166 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000658099927 420368833 /nfs/dbraw/zinc/36/88/33/420368833.db2.gz NUBBPANEMLROQZ-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000658102294 420369467 /nfs/dbraw/zinc/36/94/67/420369467.db2.gz LELULRGNAWBWBM-UHFFFAOYSA-N 1 3 272.393 -0.584 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000517373248 420376138 /nfs/dbraw/zinc/37/61/38/420376138.db2.gz QCGUHYMMZKWKJJ-OUAUKWLOSA-N 1 3 271.361 -0.099 20 0 CBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517731050 420380376 /nfs/dbraw/zinc/38/03/76/420380376.db2.gz DVXKOVZMYXNWMT-UPJWGTAASA-N 1 3 292.383 -0.887 20 0 CBADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658678052 420385305 /nfs/dbraw/zinc/38/53/05/420385305.db2.gz GFRYWZSGARWITJ-UHFFFAOYSA-N 1 3 298.431 -0.195 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000677887001 544988829 /nfs/dbraw/zinc/98/88/29/544988829.db2.gz YQHPPPOHHBBJGM-HUUCEWRRSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000677887001 544988832 /nfs/dbraw/zinc/98/88/32/544988832.db2.gz YQHPPPOHHBBJGM-HUUCEWRRSA-N 1 3 292.427 -0.023 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCCCN(C)CCOC ZINC000659437790 420419372 /nfs/dbraw/zinc/41/93/72/420419372.db2.gz HVEGHNLDMGLXPN-NSHDSACASA-N 1 3 260.382 -0.138 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000659458817 420421979 /nfs/dbraw/zinc/42/19/79/420421979.db2.gz UKDKQTPXHQDNEL-MNOVXSKESA-N 1 3 258.366 -0.386 20 0 CBADHO N[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[C@H]1F ZINC000659389213 420417421 /nfs/dbraw/zinc/41/74/21/420417421.db2.gz PRKIARKIMHNTEL-IVZWLZJFSA-N 1 3 261.366 -0.021 20 0 CBADHO COC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]CC1 ZINC000659388670 420417705 /nfs/dbraw/zinc/41/77/05/420417705.db2.gz DMUHCJOBMDBXRA-NXEZZACHSA-N 1 3 259.325 -0.347 20 0 CBADHO [NH3+]C1(CNC(=O)N2CCOC3(CNC3)C2)CCCC1 ZINC000659575291 420434709 /nfs/dbraw/zinc/43/47/09/420434709.db2.gz LMFCVWMLZMQMJN-UHFFFAOYSA-N 1 3 268.361 -0.358 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000343286209 230232377 /nfs/dbraw/zinc/23/23/77/230232377.db2.gz XORIQPXPXZPCFF-HZSPNIEDSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000343286209 230232381 /nfs/dbraw/zinc/23/23/81/230232381.db2.gz XORIQPXPXZPCFF-HZSPNIEDSA-N 1 3 280.416 -0.025 20 0 CBADHO CCCN1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659508387 420425316 /nfs/dbraw/zinc/42/53/16/420425316.db2.gz USKGVUQTUUWWIC-ZDUSSCGKSA-N 1 3 283.420 -0.325 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659514552 420426718 /nfs/dbraw/zinc/42/67/18/420426718.db2.gz BOUGIQZWACHWDH-LBPRGKRZSA-N 1 3 299.419 -0.600 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659547395 420432547 /nfs/dbraw/zinc/43/25/47/420432547.db2.gz CODYPNPCRGRGGA-MNOVXSKESA-N 1 3 287.408 -0.617 20 0 CBADHO CN1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000680833516 545040743 /nfs/dbraw/zinc/04/07/43/545040743.db2.gz ZMTHAZRLPVZEIB-YPMHNXCESA-N 1 3 270.377 -0.554 20 0 CBADHO CN1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000680833516 545040744 /nfs/dbraw/zinc/04/07/44/545040744.db2.gz ZMTHAZRLPVZEIB-YPMHNXCESA-N 1 3 270.377 -0.554 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000659750853 420467174 /nfs/dbraw/zinc/46/71/74/420467174.db2.gz QNLYKEHBGHDSDS-TUAOUCFPSA-N 1 3 284.404 -0.348 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000659750306 420467259 /nfs/dbraw/zinc/46/72/59/420467259.db2.gz BJTXVGBPNNJOND-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659750058 420467788 /nfs/dbraw/zinc/46/77/88/420467788.db2.gz DFWBZTDBDDTENB-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000659755949 420468941 /nfs/dbraw/zinc/46/89/41/420468941.db2.gz OZZQEOCYNAMYGB-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000659755946 420468957 /nfs/dbraw/zinc/46/89/57/420468957.db2.gz OZZQEOCYNAMYGB-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)n1 ZINC000581371579 420470481 /nfs/dbraw/zinc/47/04/81/420470481.db2.gz FCPOPCKWTUINHD-MFKMUULPSA-N 1 3 263.345 0.135 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCCO)NCC12CC(C1)C[NH2+]2 ZINC000659613447 420437593 /nfs/dbraw/zinc/43/75/93/420437593.db2.gz GWLWGVPTDPVFSG-OWYJLGKBSA-N 1 3 296.415 -0.116 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659615162 420438700 /nfs/dbraw/zinc/43/87/00/420438700.db2.gz HUXFKVUMLUDKHV-KGPNIALWSA-N 1 3 268.361 -0.896 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659619745 420438980 /nfs/dbraw/zinc/43/89/80/420438980.db2.gz STGKMORRUYICBZ-YNEHKIRRSA-N 1 3 284.404 -0.180 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000659622359 420439202 /nfs/dbraw/zinc/43/92/02/420439202.db2.gz PGENFWHOPAEIDB-DGCLKSJQSA-N 1 3 272.393 -0.274 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659619623 420439305 /nfs/dbraw/zinc/43/93/05/420439305.db2.gz ZNVOQFVWIAZANK-UHFFFAOYSA-N 1 3 297.447 -0.127 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000659639051 420441256 /nfs/dbraw/zinc/44/12/56/420441256.db2.gz JINMSPMXOJKFJF-QWHCGFSZSA-N 1 3 285.436 -0.081 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659636183 420442418 /nfs/dbraw/zinc/44/24/18/420442418.db2.gz NHRFQCRIWUVWSN-OUAUKWLOSA-N 1 3 256.350 -0.945 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659680796 420447296 /nfs/dbraw/zinc/44/72/96/420447296.db2.gz LGUSZYKCAFWJGZ-XQQFMLRXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1C ZINC000659677663 420448042 /nfs/dbraw/zinc/44/80/42/420448042.db2.gz GUQKGFMDOPWMGG-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000659684693 420448854 /nfs/dbraw/zinc/44/88/54/420448854.db2.gz JDRFJSZQRHOHRV-JTQLQIEISA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000659684998 420449347 /nfs/dbraw/zinc/44/93/47/420449347.db2.gz MPWVMDWZLNDPTN-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659685808 420449371 /nfs/dbraw/zinc/44/93/71/420449371.db2.gz PHYYOABTHRQDMG-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659686210 420449384 /nfs/dbraw/zinc/44/93/84/420449384.db2.gz CSHOYHIEDMPBRS-IFQILLTASA-N 1 3 282.388 -0.608 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659692627 420450130 /nfs/dbraw/zinc/45/01/30/420450130.db2.gz UIEZRTNIOQGOQI-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN(CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659699678 420451566 /nfs/dbraw/zinc/45/15/66/420451566.db2.gz SJAVORZLJVXKDF-UHFFFAOYSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000659699555 420451637 /nfs/dbraw/zinc/45/16/37/420451637.db2.gz XHYIFJWRVCHKPT-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1CC1 ZINC000659699187 420452102 /nfs/dbraw/zinc/45/21/02/420452102.db2.gz MNEMAFPBFVIFOH-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659704343 420453305 /nfs/dbraw/zinc/45/33/05/420453305.db2.gz KJLDWITVKLBMDW-ZYHUDNBSSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659706301 420453365 /nfs/dbraw/zinc/45/33/65/420453365.db2.gz KTVAYGDSRDYJDM-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659708819 420454057 /nfs/dbraw/zinc/45/40/57/420454057.db2.gz ABZBRKPVICSRRI-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659712084 420454895 /nfs/dbraw/zinc/45/48/95/420454895.db2.gz HBUNRIYIYJQDCS-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000659711904 420455230 /nfs/dbraw/zinc/45/52/30/420455230.db2.gz FGDYSMDRCOCQQS-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000659711905 420455461 /nfs/dbraw/zinc/45/54/61/420455461.db2.gz FGDYSMDRCOCQQS-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659712819 420455913 /nfs/dbraw/zinc/45/59/13/420455913.db2.gz MFDQWWMGQUTPPL-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659714003 420456489 /nfs/dbraw/zinc/45/64/89/420456489.db2.gz IOSXFXRJRBFAKY-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659715519 420456673 /nfs/dbraw/zinc/45/66/73/420456673.db2.gz PTMXBUJDMUQOJJ-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715465 420456793 /nfs/dbraw/zinc/45/67/93/420456793.db2.gz VHVUFHLXSZZKDI-LLVKDONJSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659715018 420457306 /nfs/dbraw/zinc/45/73/06/420457306.db2.gz ZVIXWMZTNCEZNZ-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659716109 420457422 /nfs/dbraw/zinc/45/74/22/420457422.db2.gz VLMZGRSTDJJIDS-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659716137 420458086 /nfs/dbraw/zinc/45/80/86/420458086.db2.gz WIEVZNSGQZQBLC-VXGBXAGGSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659719616 420458801 /nfs/dbraw/zinc/45/88/01/420458801.db2.gz IOBXNDFTBOKGQO-SNVBAGLBSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720866 420459310 /nfs/dbraw/zinc/45/93/10/420459310.db2.gz FXLNHBOFOKGJOB-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000659720869 420459557 /nfs/dbraw/zinc/45/95/57/420459557.db2.gz FXPGMIXGGGQZCY-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000659725128 420460469 /nfs/dbraw/zinc/46/04/69/420460469.db2.gz XPOHWLLFPWQZCK-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000659725127 420460494 /nfs/dbraw/zinc/46/04/94/420460494.db2.gz XPOHWLLFPWQZCK-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000659738280 420463367 /nfs/dbraw/zinc/46/33/67/420463367.db2.gz DGZVYXTZNWPHJU-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000659738468 420463639 /nfs/dbraw/zinc/46/36/39/420463639.db2.gz DZLOBMWOQRIAPH-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659741941 420465004 /nfs/dbraw/zinc/46/50/04/420465004.db2.gz RIUFWWRQNKQYSZ-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659750055 420467019 /nfs/dbraw/zinc/46/70/19/420467019.db2.gz DFWBZTDBDDTENB-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000591450824 420479270 /nfs/dbraw/zinc/47/92/70/420479270.db2.gz UPFQPINBSGJZIB-LLVKDONJSA-N 1 3 265.361 0.335 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000591450824 420479273 /nfs/dbraw/zinc/47/92/73/420479273.db2.gz UPFQPINBSGJZIB-LLVKDONJSA-N 1 3 265.361 0.335 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cn(C)nn1 ZINC000521382163 260091484 /nfs/dbraw/zinc/09/14/84/260091484.db2.gz NLLRRVOTOUQFPF-UHFFFAOYSA-N 1 3 283.380 -0.228 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000519609353 265494279 /nfs/dbraw/zinc/49/42/79/265494279.db2.gz NYHYNPULNIASLS-UWVGGRQHSA-N 1 3 259.350 -0.244 20 0 CBADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](N2CCCC2)C1 ZINC000226943484 269576701 /nfs/dbraw/zinc/57/67/01/269576701.db2.gz IEOVCMRUMLQUTG-YNEHKIRRSA-N 1 3 267.373 -0.204 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN ZINC000419528940 280097225 /nfs/dbraw/zinc/09/72/25/280097225.db2.gz XCRISCNIECYDTC-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN ZINC000419528940 280097227 /nfs/dbraw/zinc/09/72/27/280097227.db2.gz XCRISCNIECYDTC-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418949231 276329577 /nfs/dbraw/zinc/32/95/77/276329577.db2.gz ROWUJABJMVPAKE-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419689198 277040766 /nfs/dbraw/zinc/04/07/66/277040766.db2.gz ACZVNMSKRSNIIM-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO COC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343995305 277264684 /nfs/dbraw/zinc/26/46/84/277264684.db2.gz YPAAMQCFTRONAG-KFWWJZLASA-N 1 3 285.432 -0.049 20 0 CBADHO CC(C)(CC(N)=O)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348800963 277295308 /nfs/dbraw/zinc/29/53/08/277295308.db2.gz QXKRTWJADHZFNX-UHFFFAOYSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419695484 278182683 /nfs/dbraw/zinc/18/26/83/278182683.db2.gz MXOJABNGGWKERU-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419695484 278182686 /nfs/dbraw/zinc/18/26/86/278182686.db2.gz MXOJABNGGWKERU-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419996473 278857180 /nfs/dbraw/zinc/85/71/80/278857180.db2.gz NJTRDRQMCVWTJS-LBPRGKRZSA-N 1 3 286.420 -0.114 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419718933 279105103 /nfs/dbraw/zinc/10/51/03/279105103.db2.gz BUDGOHGTZUTHAE-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418948350 279126475 /nfs/dbraw/zinc/12/64/75/279126475.db2.gz QLZCRWGTRZOUIW-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000419522439 279189974 /nfs/dbraw/zinc/18/99/74/279189974.db2.gz MKUYZDBKPCIREE-HNNXBMFYSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000351993839 279235551 /nfs/dbraw/zinc/23/55/51/279235551.db2.gz LANMXYCUWRVEIC-TZMCWYRMSA-N 1 3 286.420 -0.034 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029321 288115450 /nfs/dbraw/zinc/11/54/50/288115450.db2.gz QLTSJAQAXIMMOT-MFKMUULPSA-N 1 3 267.373 -0.036 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419593073 279268385 /nfs/dbraw/zinc/26/83/85/279268385.db2.gz SNFPWNKUGGDGOI-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419593101 279268397 /nfs/dbraw/zinc/26/83/97/279268397.db2.gz SPAOLBXSGVWGSZ-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COC1CNC1 ZINC000430730874 279297300 /nfs/dbraw/zinc/29/73/00/279297300.db2.gz UBQJOYRGBVXWIZ-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COC1CNC1 ZINC000430730874 279297301 /nfs/dbraw/zinc/29/73/01/279297301.db2.gz UBQJOYRGBVXWIZ-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351522903 279324878 /nfs/dbraw/zinc/32/48/78/279324878.db2.gz MMIPCGXYWPYNTL-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CNCCN1C ZINC000423500854 288123856 /nfs/dbraw/zinc/12/38/56/288123856.db2.gz DBCVWDJQUYZWJU-XBFCOCLRSA-N 1 3 252.406 -0.038 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367407625 279351536 /nfs/dbraw/zinc/35/15/36/279351536.db2.gz IIAZKAHJOJRCJD-ZDUSSCGKSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418758766 279430307 /nfs/dbraw/zinc/43/03/07/279430307.db2.gz IRRRSTQQBGKXFQ-CYBMUJFWSA-N 1 3 285.436 -0.128 20 0 CBADHO O=C1NC(=O)N2CCN(CC3CC[NH2+]CC3)C[C@H]12 ZINC000346992746 280279324 /nfs/dbraw/zinc/27/93/24/280279324.db2.gz TXFCBXXIACNDHD-SNVBAGLBSA-N 1 3 252.318 -0.778 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419968157 280283033 /nfs/dbraw/zinc/28/30/33/280283033.db2.gz AJSUCUHQBDHUML-GFCCVEGCSA-N 1 3 286.420 -0.116 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578855 288300308 /nfs/dbraw/zinc/30/03/08/288300308.db2.gz AMSGJANYSAUXOS-JHJVBQTASA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000515224659 288300949 /nfs/dbraw/zinc/30/09/49/288300949.db2.gz WYSMKDYLTXDPPL-RTXFEEFZSA-N 1 3 294.399 -0.465 20 0 CBADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831123 288314681 /nfs/dbraw/zinc/31/46/81/288314681.db2.gz LITWJYBNGDMBOC-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1C[NH2+]C1 ZINC000372573132 281461318 /nfs/dbraw/zinc/46/13/18/281461318.db2.gz QVQXLLWRVKNHSR-GIPNMCIBSA-N 1 3 253.346 -0.393 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000419249582 282027014 /nfs/dbraw/zinc/02/70/14/282027014.db2.gz ZGBHSNQEMZLJBP-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC1 ZINC000419242494 289043657 /nfs/dbraw/zinc/04/36/57/289043657.db2.gz RBJNGNQUGHBHJC-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340510621 289126948 /nfs/dbraw/zinc/12/69/48/289126948.db2.gz OQEOPLXHYOLOBW-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340510621 289126952 /nfs/dbraw/zinc/12/69/52/289126952.db2.gz OQEOPLXHYOLOBW-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423764958 289200007 /nfs/dbraw/zinc/20/00/07/289200007.db2.gz WIKCYYJHAPDHEE-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000343842024 289200023 /nfs/dbraw/zinc/20/00/23/289200023.db2.gz AIBLOBXFOFDHLD-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420066183 289290628 /nfs/dbraw/zinc/29/06/28/289290628.db2.gz QSKCUMCUJXPVHR-NEPJUHHUSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419895602 289290638 /nfs/dbraw/zinc/29/06/38/289290638.db2.gz MPHBQKXFKPPXJH-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419860519 289290653 /nfs/dbraw/zinc/29/06/53/289290653.db2.gz KYQBWJYUVMUBPY-NEPJUHHUSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000332314498 289376858 /nfs/dbraw/zinc/37/68/58/289376858.db2.gz NJPJGENRJJGSKN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423213011 289648472 /nfs/dbraw/zinc/64/84/72/289648472.db2.gz MNXYVOBGYVXKGN-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)C1(N)CCCCC1 ZINC000449703646 290062275 /nfs/dbraw/zinc/06/22/75/290062275.db2.gz UMTMDNXLOYKDPM-NSHDSACASA-N 1 3 254.378 -0.332 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCCNc1ccncc1 ZINC000418763218 290062436 /nfs/dbraw/zinc/06/24/36/290062436.db2.gz MPTLSZSYGWFNAN-ZDUSSCGKSA-N 1 3 292.387 -0.882 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331682987 295252174 /nfs/dbraw/zinc/25/21/74/295252174.db2.gz UJIWPUCHGMWWNV-AVGNSLFASA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331682987 295252175 /nfs/dbraw/zinc/25/21/75/295252175.db2.gz UJIWPUCHGMWWNV-AVGNSLFASA-N 1 3 294.399 -0.321 20 0 CBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424153890 295324610 /nfs/dbraw/zinc/32/46/10/295324610.db2.gz LVNVBJHSLNZIED-WUHRBBMRSA-N 1 3 294.399 -0.560 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515224658 297092191 /nfs/dbraw/zinc/09/21/91/297092191.db2.gz WYSMKDYLTXDPPL-RAIGVLPGSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419419935 298558263 /nfs/dbraw/zinc/55/82/63/298558263.db2.gz JJHUZCKUYZGBAR-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@@H]1[NH+](C)C ZINC000124718516 300097122 /nfs/dbraw/zinc/09/71/22/300097122.db2.gz IVPBLLOWFNAMES-RYUDHWBXSA-N 1 3 282.388 -0.783 20 0 CBADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000417841850 300819500 /nfs/dbraw/zinc/81/95/00/300819500.db2.gz PGHOVNXSRSHAFS-LOWVWBTDSA-N 1 3 255.362 -0.001 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C3(C)C[NH2+]C3)C[C@H]2N)cn1 ZINC000333656211 302924625 /nfs/dbraw/zinc/92/46/25/302924625.db2.gz ZWQXWXKFFPDFHD-WDEREUQCSA-N 1 3 263.345 -0.717 20 0 CBADHO NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000125353883 303268656 /nfs/dbraw/zinc/26/86/56/303268656.db2.gz YWAPKDCRXBNIAW-LPEHRKFASA-N 1 3 254.334 -0.369 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368561130 303651948 /nfs/dbraw/zinc/65/19/48/303651948.db2.gz JZGAEQRMHZPWLV-GXTWGEPZSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC[NH3+] ZINC000583452442 327856657 /nfs/dbraw/zinc/85/66/57/327856657.db2.gz JOMIDIHPGQCLBD-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000563093062 327922204 /nfs/dbraw/zinc/92/22/04/327922204.db2.gz XNVJFYQGOUYLIE-DGCLKSJQSA-N 1 3 269.389 -0.053 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000563143923 327929856 /nfs/dbraw/zinc/92/98/56/327929856.db2.gz ZLGCARBCUFZDBI-LBPRGKRZSA-N 1 3 272.393 -0.410 20 0 CBADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000563208896 327965100 /nfs/dbraw/zinc/96/51/00/327965100.db2.gz FGWYAZFDZRRFHI-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC1=CCN(CCNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000563584135 328074797 /nfs/dbraw/zinc/07/47/97/328074797.db2.gz KMQFOYAZZMRZEQ-ZDUSSCGKSA-N 1 3 282.388 -0.074 20 0 CBADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC2CNC2)CC1 ZINC000563611086 328076762 /nfs/dbraw/zinc/07/67/62/328076762.db2.gz HAPLJFCUVKDBJV-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571283967 328097680 /nfs/dbraw/zinc/09/76/80/328097680.db2.gz JQBTWOURADSYPQ-GRYCIOLGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000571316239 328104868 /nfs/dbraw/zinc/10/48/68/328104868.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)[N@H+](C)C[C@@H](C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000571316239 328104869 /nfs/dbraw/zinc/10/48/69/328104869.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000571316239 328104871 /nfs/dbraw/zinc/10/48/71/328104871.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 1 3 286.464 -0.087 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000571320708 328105118 /nfs/dbraw/zinc/10/51/18/328105118.db2.gz NXFIPDMNDSEIBG-HNNXBMFYSA-N 1 3 299.415 -0.161 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000571315309 328104450 /nfs/dbraw/zinc/10/44/50/328104450.db2.gz FLLQNYNIMCMKAO-BZUAXINKSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000571315309 328104451 /nfs/dbraw/zinc/10/44/51/328104451.db2.gz FLLQNYNIMCMKAO-BZUAXINKSA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000571315309 328104453 /nfs/dbraw/zinc/10/44/53/328104453.db2.gz FLLQNYNIMCMKAO-BZUAXINKSA-N 1 3 296.459 -0.189 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000571396132 328118479 /nfs/dbraw/zinc/11/84/79/328118479.db2.gz GLOYMDPYBSDLRU-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCOCCN1CC[C@H](Nc2ncccn2)C1 ZINC000571521953 328131141 /nfs/dbraw/zinc/13/11/41/328131141.db2.gz IQVJRURJMGMILP-NSHDSACASA-N 1 3 251.334 -0.062 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCNc2ccncc2)C1 ZINC000571555831 328133555 /nfs/dbraw/zinc/13/35/55/328133555.db2.gz BXQFCCLHLXTMCN-NWDGAFQWSA-N 1 3 264.329 -0.592 20 0 CBADHO COCCN1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583946444 326804630 /nfs/dbraw/zinc/80/46/30/326804630.db2.gz BFACUJXUGQLVOH-LBPRGKRZSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000557297410 327000883 /nfs/dbraw/zinc/00/08/83/327000883.db2.gz JYDPISBQVKBBOT-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565727178 327001033 /nfs/dbraw/zinc/00/10/33/327001033.db2.gz CLJALARKNDGZTK-YNEHKIRRSA-N 1 3 296.415 -0.232 20 0 CBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584112044 327009526 /nfs/dbraw/zinc/00/95/26/327009526.db2.gz JUMFUYJZJPWOOP-NOZJJQNGSA-N 1 3 291.359 -0.848 20 0 CBADHO CCCN(C(=O)COC1CNC1)C1CC[NH2+]CC1 ZINC000576462846 327033248 /nfs/dbraw/zinc/03/32/48/327033248.db2.gz AAIIAWMTTXKNJD-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CCN1CCN(CCC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000584175383 327058599 /nfs/dbraw/zinc/05/85/99/327058599.db2.gz WGRVMOFDKAVOKY-UHFFFAOYSA-N 1 3 268.405 -0.038 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569240041 327069876 /nfs/dbraw/zinc/06/98/76/327069876.db2.gz GIHKBTINJIYRLC-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H](C)CN1 ZINC000564931329 327160534 /nfs/dbraw/zinc/16/05/34/327160534.db2.gz GAYBFRAGGQZHEB-QWRGUYRKSA-N 1 3 280.376 -0.161 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569457807 327180462 /nfs/dbraw/zinc/18/04/62/327180462.db2.gz CGMIGXKFEYNRHP-ITGUQSILSA-N 1 3 283.420 -0.661 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569457807 327180463 /nfs/dbraw/zinc/18/04/63/327180463.db2.gz CGMIGXKFEYNRHP-ITGUQSILSA-N 1 3 283.420 -0.661 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000564937288 327195365 /nfs/dbraw/zinc/19/53/65/327195365.db2.gz QQFZDLHSAXBAQP-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569576731 327200745 /nfs/dbraw/zinc/20/07/45/327200745.db2.gz CYDGAYZHMBRBDF-VHSXEESVSA-N 1 3 254.334 -0.497 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569576729 327200780 /nfs/dbraw/zinc/20/07/80/327200780.db2.gz CYDGAYZHMBRBDF-NXEZZACHSA-N 1 3 254.334 -0.497 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)N(C)C ZINC000569608541 327209820 /nfs/dbraw/zinc/20/98/20/327209820.db2.gz KDYANOODRMLTGM-LLVKDONJSA-N 1 3 257.378 -0.115 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566252289 327262980 /nfs/dbraw/zinc/26/29/80/327262980.db2.gz WVZYNSWWMGZJBC-ZFWWWQNUSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000578988912 327354138 /nfs/dbraw/zinc/35/41/38/327354138.db2.gz REWDJEXUWMNMFG-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(C)CC1 ZINC000579370333 327364509 /nfs/dbraw/zinc/36/45/09/327364509.db2.gz FSQNLESYHYTTOD-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574771942 327377634 /nfs/dbraw/zinc/37/76/34/327377634.db2.gz YRXNSVBUDDZWTM-IJLUTSLNSA-N 1 3 297.403 -0.720 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+](C)C ZINC000566497116 327399639 /nfs/dbraw/zinc/39/96/39/327399639.db2.gz XBTOBGWYDVHWFG-SRVKXCTJSA-N 1 3 282.388 -0.657 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569809890 327549565 /nfs/dbraw/zinc/54/95/65/327549565.db2.gz BFVFLFRMDFFICA-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000570329673 327583732 /nfs/dbraw/zinc/58/37/32/327583732.db2.gz DUNIOMJGIYFWNF-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000570399869 327589018 /nfs/dbraw/zinc/58/90/18/327589018.db2.gz NZGBYZPQPLWSBV-NFAWXSAZSA-N 1 3 280.416 -0.119 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000570515138 327596578 /nfs/dbraw/zinc/59/65/78/327596578.db2.gz HHVZQHQUUKRQKZ-GHMZBOCLSA-N 1 3 271.361 -0.181 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000570696724 327611920 /nfs/dbraw/zinc/61/19/20/327611920.db2.gz SGRCOVDITHUJQQ-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO O=C(COC1CNC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584347717 328628259 /nfs/dbraw/zinc/62/82/59/328628259.db2.gz GDOBYWZFELCGER-CYBMUJFWSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000584350119 328730539 /nfs/dbraw/zinc/73/05/39/328730539.db2.gz OZMMKSLBGDIXBG-ZJUUUORDSA-N 1 3 257.334 -0.523 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000571678452 328841040 /nfs/dbraw/zinc/84/10/40/328841040.db2.gz RCCQXWDGFWQZLN-BBBLOLIVSA-N 1 3 257.334 -0.524 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582240781 328844677 /nfs/dbraw/zinc/84/46/77/328844677.db2.gz LTFBQRKKAOPRAX-UBBJOLNISA-N 1 3 279.384 -0.147 20 0 CBADHO C[C@]1(C(=O)NCCCN2CCC(O)CC2)CC[NH2+]C1 ZINC000582545044 329105066 /nfs/dbraw/zinc/10/50/66/329105066.db2.gz KAJSZHADTDFRLJ-AWEZNQCLSA-N 1 3 269.389 -0.051 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582604807 329114695 /nfs/dbraw/zinc/11/46/95/329114695.db2.gz GCDOBTFUULDGBU-QJPTWQEYSA-N 1 3 255.362 -0.192 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000582733569 329133426 /nfs/dbraw/zinc/13/34/26/329133426.db2.gz HBJBPIXRUOAHDV-OLZOCXBDSA-N 1 3 259.394 -0.439 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000582733569 329133428 /nfs/dbraw/zinc/13/34/28/329133428.db2.gz HBJBPIXRUOAHDV-OLZOCXBDSA-N 1 3 259.394 -0.439 20 0 CBADHO C[NH2+]CCCNC(=O)N(CCN(C)C)CCN(C)C ZINC000582954550 329293376 /nfs/dbraw/zinc/29/33/76/329293376.db2.gz YOKABZLLKPLESY-UHFFFAOYSA-N 1 3 273.425 -0.269 20 0 CBADHO CCC[C@](C)([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583214717 329370441 /nfs/dbraw/zinc/37/04/41/329370441.db2.gz JFFPMAPJPDAVRJ-NRUUGDAUSA-N 1 3 268.361 -0.726 20 0 CBADHO CN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000584416362 329463357 /nfs/dbraw/zinc/46/33/57/329463357.db2.gz ZVPXRPQULFPRFJ-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](NC(=O)CC[NH3+])C(=O)NCCN1CCCCC1 ZINC000572876706 329926226 /nfs/dbraw/zinc/92/62/26/329926226.db2.gz VNMNXXLQTOKPIW-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CN1CCN(C(=O)CCN2CCC([NH3+])CC2)CC1 ZINC000572364836 330005193 /nfs/dbraw/zinc/00/51/93/330005193.db2.gz YGRGYOWXZQDUOZ-UHFFFAOYSA-N 1 3 254.378 -0.426 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574990083 330123235 /nfs/dbraw/zinc/12/32/35/330123235.db2.gz FMTAOUDGAKPBRQ-QWRGUYRKSA-N 1 3 269.345 -0.380 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574990082 330123288 /nfs/dbraw/zinc/12/32/88/330123288.db2.gz FMTAOUDGAKPBRQ-MNOVXSKESA-N 1 3 269.345 -0.380 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000567573508 334372790 /nfs/dbraw/zinc/37/27/90/334372790.db2.gz ILHJUACESYKJNS-ZYHUDNBSSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000567573508 334372792 /nfs/dbraw/zinc/37/27/92/334372792.db2.gz ILHJUACESYKJNS-ZYHUDNBSSA-N 1 3 280.372 -0.983 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015629 335141818 /nfs/dbraw/zinc/14/18/18/335141818.db2.gz DPJGKNAGLPKHKB-YPMHNXCESA-N 1 3 294.399 -0.593 20 0 CBADHO CCN(C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576035717 335143937 /nfs/dbraw/zinc/14/39/37/335143937.db2.gz VSADMHHEMKXPOG-NSHDSACASA-N 1 3 280.376 -0.288 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)CCC[NH3+] ZINC000576109588 335155664 /nfs/dbraw/zinc/15/56/64/335155664.db2.gz XIVWWROQCZPHJK-ONGXEEELSA-N 1 3 258.366 -0.671 20 0 CBADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000564319630 334085714 /nfs/dbraw/zinc/08/57/14/334085714.db2.gz JPWWEDFLDXFNRZ-OAHLLOKOSA-N 1 3 295.431 -0.140 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000564334183 334128709 /nfs/dbraw/zinc/12/87/09/334128709.db2.gz CVHUVENFZBXONW-QJPTWQEYSA-N 1 3 284.404 -0.362 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000567573507 334371440 /nfs/dbraw/zinc/37/14/40/334371440.db2.gz ILHJUACESYKJNS-PWSUYJOCSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000567573507 334371441 /nfs/dbraw/zinc/37/14/41/334371441.db2.gz ILHJUACESYKJNS-PWSUYJOCSA-N 1 3 280.372 -0.983 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCC1 ZINC000556176591 334498355 /nfs/dbraw/zinc/49/83/55/334498355.db2.gz ALPFXCJVPXRCOY-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566188713 334634091 /nfs/dbraw/zinc/63/40/91/334634091.db2.gz GPAOAZGBDKPJAO-RYUDHWBXSA-N 1 3 286.445 -0.427 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000567112004 334682254 /nfs/dbraw/zinc/68/22/54/334682254.db2.gz JJBQLHCRHIUHHY-RKDXNWHRSA-N 1 3 257.334 -0.476 20 0 CBADHO C[C@H]([NH3+])CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567109054 334681746 /nfs/dbraw/zinc/68/17/46/334681746.db2.gz PXGQJLGUTLKAFG-QMMMGPOBSA-N 1 3 267.337 -0.720 20 0 CBADHO O=C(COC1CNC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567848055 334767978 /nfs/dbraw/zinc/76/79/78/334767978.db2.gz ONVIAWWALWVCMN-PHIMTYICSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567899998 334773569 /nfs/dbraw/zinc/77/35/69/334773569.db2.gz DVZLITRASIHEOV-SCRDCRAPSA-N 1 3 296.415 -0.456 20 0 CBADHO CC(C)(N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000572716533 334873592 /nfs/dbraw/zinc/87/35/92/334873592.db2.gz XDAISQOEJQHUNU-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCCO1 ZINC000573119335 334909957 /nfs/dbraw/zinc/90/99/57/334909957.db2.gz OILDNEXSXPVGBM-VXGBXAGGSA-N 1 3 271.361 -0.669 20 0 CBADHO C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@@H]2COCCN2)C1 ZINC000576399516 335198920 /nfs/dbraw/zinc/19/89/20/335198920.db2.gz MUEVPHQCOWDXRZ-KYTCRMMBSA-N 1 3 251.374 -0.049 20 0 CBADHO COCCNCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000576465548 335207104 /nfs/dbraw/zinc/20/71/04/335207104.db2.gz FZOLFKQDHOJKGO-QMMMGPOBSA-N 1 3 251.277 -0.664 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000576515405 335213135 /nfs/dbraw/zinc/21/31/35/335213135.db2.gz OWOYOLLCXUGRHV-CHWSQXEVSA-N 1 3 269.389 -0.195 20 0 CBADHO [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3CCCC[C@@H]3O)CCN2C1=O ZINC000576837237 335254400 /nfs/dbraw/zinc/25/44/00/335254400.db2.gz GJDBXUMZQZFLDQ-LPWJVIDDSA-N 1 3 267.373 -0.219 20 0 CBADHO CCNC(=O)CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000577066769 335294828 /nfs/dbraw/zinc/29/48/28/335294828.db2.gz NFENZWHJOCRCPJ-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000577106601 335301076 /nfs/dbraw/zinc/30/10/76/335301076.db2.gz GITWXUJOBKUQCX-CQSZACIVSA-N 1 3 274.368 -0.077 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000577209176 335322878 /nfs/dbraw/zinc/32/28/78/335322878.db2.gz TYQWLZGLGBTCPU-NSHDSACASA-N 1 3 268.361 -0.935 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000577209175 335323037 /nfs/dbraw/zinc/32/30/37/335323037.db2.gz TYQWLZGLGBTCPU-LLVKDONJSA-N 1 3 268.361 -0.935 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CSCCN2)[C@@H](C[NH3+])C1 ZINC000577371418 335342085 /nfs/dbraw/zinc/34/20/85/335342085.db2.gz BAJSVWQMNDXRLF-QWRGUYRKSA-N 1 3 272.418 -0.817 20 0 CBADHO COCCNCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000577512380 335363011 /nfs/dbraw/zinc/36/30/11/335363011.db2.gz ODXZZYGLHBILJR-SSDOTTSWSA-N 1 3 257.256 -0.382 20 0 CBADHO [NH3+]CC[C@H](NC(=O)C[C@@H]1CNCCO1)C(F)(F)F ZINC000577728720 335393246 /nfs/dbraw/zinc/39/32/46/335393246.db2.gz PHZCCZZPKYGTOU-SFYZADRCSA-N 1 3 269.267 -0.239 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000577740973 335395056 /nfs/dbraw/zinc/39/50/56/335395056.db2.gz LOUMVFYLQIESON-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000577740973 335395057 /nfs/dbraw/zinc/39/50/57/335395057.db2.gz LOUMVFYLQIESON-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000577748848 335396817 /nfs/dbraw/zinc/39/68/17/335396817.db2.gz VXEGCNCNPFGRCD-UTUOFQBUSA-N 1 3 271.361 -0.718 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000581129917 336012574 /nfs/dbraw/zinc/01/25/74/336012574.db2.gz CSYFVHDIELQGMA-JTQLQIEISA-N 1 3 259.350 -0.229 20 0 CBADHO CN1CCN(C(=O)NC[C@H](N)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300011 336041495 /nfs/dbraw/zinc/04/14/95/336041495.db2.gz FBEQERHLQFBRKD-KBPBESRZSA-N 1 3 291.399 -0.029 20 0 CBADHO O=C(N[C@H]1CNCCC1(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581419225 336073919 /nfs/dbraw/zinc/07/39/19/336073919.db2.gz OXEKLGNNRZACJK-UTLUCORTSA-N 1 3 274.315 -0.013 20 0 CBADHO Cn1ccnc1[C@H]1CNCCN1CCOCC[NH3+] ZINC000581489620 336088603 /nfs/dbraw/zinc/08/86/03/336088603.db2.gz YHFDIESZAYCZLE-LLVKDONJSA-N 1 3 253.350 -0.658 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499887 336090862 /nfs/dbraw/zinc/09/08/62/336090862.db2.gz VWJWBZFHNZQZFX-QJPTWQEYSA-N 1 3 252.362 -0.770 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000581606515 336111252 /nfs/dbraw/zinc/11/12/52/336111252.db2.gz QQFZDLHSAXBAQP-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1CN ZINC000581716182 336135988 /nfs/dbraw/zinc/13/59/88/336135988.db2.gz QLPIIHATHHECPK-NWDGAFQWSA-N 1 3 271.409 -0.212 20 0 CBADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)NC(N)=O)C1 ZINC000581879292 336157413 /nfs/dbraw/zinc/15/74/13/336157413.db2.gz BKFPQGRJSARJLV-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO CCC[N@H+]1CC[C@H](CNCCC(=O)NC(N)=O)C1 ZINC000581879292 336157415 /nfs/dbraw/zinc/15/74/15/336157415.db2.gz BKFPQGRJSARJLV-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO CCCN1CC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000581879292 336157416 /nfs/dbraw/zinc/15/74/16/336157416.db2.gz BKFPQGRJSARJLV-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO C[N@H+](C[C@H](O)CNCC(C)(C)OCCO)C1CC1 ZINC000386465762 336175451 /nfs/dbraw/zinc/17/54/51/336175451.db2.gz TYWGXOZZBIHTAO-GFCCVEGCSA-N 1 3 260.378 -0.181 20 0 CBADHO C[N@@H+](C[C@H](O)CNCC(C)(C)OCCO)C1CC1 ZINC000386465762 336175452 /nfs/dbraw/zinc/17/54/52/336175452.db2.gz TYWGXOZZBIHTAO-GFCCVEGCSA-N 1 3 260.378 -0.181 20 0 CBADHO COC(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000494076990 534142940 /nfs/dbraw/zinc/14/29/40/534142940.db2.gz BWIZJMSULIRTDI-NSHDSACASA-N 1 3 288.392 -0.317 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357234547 535705146 /nfs/dbraw/zinc/70/51/46/535705146.db2.gz AYHOHZSPBSORAF-STQMWFEESA-N 1 3 270.421 -0.029 20 0 CBADHO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H]2COCCN2)CC1 ZINC000357225474 535727362 /nfs/dbraw/zinc/72/73/62/535727362.db2.gz NIUKYHKFYSFESZ-UONOGXRCSA-N 1 3 298.431 -0.493 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C[C@H]1CSCCN1 ZINC000234262315 582129942 /nfs/dbraw/zinc/12/99/42/582129942.db2.gz NJYRCJVQCBREMS-NSHDSACASA-N 1 3 275.418 -0.224 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C[C@@H]1CSCCN1 ZINC000234262069 582129938 /nfs/dbraw/zinc/12/99/38/582129938.db2.gz NJYRCJVQCBREMS-LLVKDONJSA-N 1 3 275.418 -0.224 20 0 CBADHO O[C@@H](CN1CCN([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871538 582161250 /nfs/dbraw/zinc/16/12/50/582161250.db2.gz JZITVLMVJBDFBB-BZUAXINKSA-N 1 3 297.443 -0.026 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC2CC([NH+](C)C)C2)CC1=O ZINC000773487116 582347641 /nfs/dbraw/zinc/34/76/41/582347641.db2.gz NTWVOKRALPZDNY-HIFPTAJRSA-N 1 3 296.415 -0.395 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000816619084 582478018 /nfs/dbraw/zinc/47/80/18/582478018.db2.gz SHHRXMWGWOYPLO-LBPRGKRZSA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000827290404 582809605 /nfs/dbraw/zinc/80/96/05/582809605.db2.gz TWYIXBDNJNLTBR-QLFBSQMISA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000827290404 582809606 /nfs/dbraw/zinc/80/96/06/582809606.db2.gz TWYIXBDNJNLTBR-QLFBSQMISA-N 1 3 292.427 -0.071 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@]1(F)CC[NH2+]C1 ZINC000827936224 582836354 /nfs/dbraw/zinc/83/63/54/582836354.db2.gz GZXVLWHOIDRKSM-DMDPSCGWSA-N 1 3 271.336 -0.333 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828956274 582879007 /nfs/dbraw/zinc/87/90/07/582879007.db2.gz LFLQEMUKESXJKC-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CC1CC[NH2+]CC1 ZINC000830391267 582932119 /nfs/dbraw/zinc/93/21/19/582932119.db2.gz DLEZJLHVSDMOPX-MRVPVSSYSA-N 1 3 261.347 -0.607 20 0 CBADHO [NH3+]CCCCCCNC(=O)NC[C@H]1CNCCO1 ZINC000831197787 582966578 /nfs/dbraw/zinc/96/65/78/582966578.db2.gz UKIKEBIMBFHMSE-LLVKDONJSA-N 1 3 258.366 -0.207 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000831971116 583008949 /nfs/dbraw/zinc/00/89/49/583008949.db2.gz SGKJTUNEQHSMIB-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1CNCCO1 ZINC000831970728 583008967 /nfs/dbraw/zinc/00/89/67/583008967.db2.gz KUCXUNRHVAACBF-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@H]1CNCCO1 ZINC000831970728 583008968 /nfs/dbraw/zinc/00/89/68/583008968.db2.gz KUCXUNRHVAACBF-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(NCC1=CC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC000834542614 583130588 /nfs/dbraw/zinc/13/05/88/583130588.db2.gz IQOAAKJFTYBQQN-UHFFFAOYSA-N 1 3 261.329 -0.295 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841789758 583174122 /nfs/dbraw/zinc/17/41/22/583174122.db2.gz QMHPBRZLJZUHGS-SDDRHHMPSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000842014230 583177613 /nfs/dbraw/zinc/17/76/13/583177613.db2.gz APSLMTNUUTWIRF-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842015196 583177623 /nfs/dbraw/zinc/17/76/23/583177623.db2.gz HOEDOAXLLQGMFR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N1CCCCC1 ZINC000842014840 583177645 /nfs/dbraw/zinc/17/76/45/583177645.db2.gz FLVOXXQPEKZIPS-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCCCC1 ZINC000842014297 583177688 /nfs/dbraw/zinc/17/76/88/583177688.db2.gz BUWQELYUHKIDIL-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000842014231 583177812 /nfs/dbraw/zinc/17/78/12/583177812.db2.gz APSLMTNUUTWIRF-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842014289 583177865 /nfs/dbraw/zinc/17/78/65/583177865.db2.gz BTARHBCISALHNN-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])N1CCCCC1 ZINC000842016011 583178243 /nfs/dbraw/zinc/17/82/43/583178243.db2.gz QJPBRJLJKXQPBY-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000843484691 583226842 /nfs/dbraw/zinc/22/68/42/583226842.db2.gz QVDAYQJDNMAMNH-NXEZZACHSA-N 1 3 277.315 -0.132 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843489435 583227762 /nfs/dbraw/zinc/22/77/62/583227762.db2.gz OFANLNRBOYIRAT-GFCCVEGCSA-N 1 3 261.341 -0.275 20 0 CBADHO CC(C)(CC[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000843501847 583231715 /nfs/dbraw/zinc/23/17/15/583231715.db2.gz QFCFVKXDIILUHT-UHFFFAOYSA-N 1 3 251.334 -0.087 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178951 583257825 /nfs/dbraw/zinc/25/78/25/583257825.db2.gz AGZJGEMWSOVBBN-MLGHIDQZSA-N 1 3 265.357 -0.284 20 0 CBADHO CC[NH2+]CC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000844181444 583258349 /nfs/dbraw/zinc/25/83/49/583258349.db2.gz PREODTUKQBXMEU-UHFFFAOYSA-N 1 3 284.404 -0.392 20 0 CBADHO CC[NH2+]CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000844191203 583260042 /nfs/dbraw/zinc/26/00/42/583260042.db2.gz TUBRZTNFEPDGIT-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC[NH2+]CC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000844190822 583260134 /nfs/dbraw/zinc/26/01/34/583260134.db2.gz BLPSRSYASWSMNN-CYBMUJFWSA-N 1 3 270.421 -0.014 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674476 583382142 /nfs/dbraw/zinc/38/21/42/583382142.db2.gz YZBMLYSFEJYXCR-XFMPKHEZSA-N 1 3 295.383 -0.798 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846718148 583386094 /nfs/dbraw/zinc/38/60/94/583386094.db2.gz SVXKQVCYUFPBKA-OBJOEFQTSA-N 1 3 267.373 -0.177 20 0 CBADHO O[C@H](CN1CCN2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000847040111 583397012 /nfs/dbraw/zinc/39/70/12/583397012.db2.gz NNWDXALGPOONJT-MJBXVCDLSA-N 1 3 269.389 -0.806 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848614795 583452861 /nfs/dbraw/zinc/45/28/61/583452861.db2.gz XPQLARDNMVUCMF-QJPTWQEYSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@H]1C[NH+]=C(NCC2(N3CCOCC3)CCN(C)CC2)N1 ZINC000849041245 583471073 /nfs/dbraw/zinc/47/10/73/583471073.db2.gz OERBNIJQEZYKCX-ZDUSSCGKSA-N 1 3 295.431 -0.280 20 0 CBADHO CN1CCCN(CCNC2=[NH+]CCCCN2)CC1 ZINC000849215516 583473989 /nfs/dbraw/zinc/47/39/89/583473989.db2.gz ODNGAORMSKREIL-UHFFFAOYSA-N 1 3 253.394 -0.047 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000851657136 583518187 /nfs/dbraw/zinc/51/81/87/583518187.db2.gz VJHOURZQFBZDAG-DNCHLWJUSA-N 1 3 294.399 -0.018 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657084 583518219 /nfs/dbraw/zinc/51/82/19/583518219.db2.gz UVMCONLIPFGPSZ-DNCHLWJUSA-N 1 3 294.399 -0.099 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657090 583518295 /nfs/dbraw/zinc/51/82/95/583518295.db2.gz UVMCONLIPFGPSZ-SBEAFCBVSA-N 1 3 294.399 -0.099 20 0 CBADHO CN(CCC[NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851657291 583518306 /nfs/dbraw/zinc/51/83/06/583518306.db2.gz WOQGUCJMNWNSRM-RYUDHWBXSA-N 1 3 270.377 -0.160 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851657137 583518323 /nfs/dbraw/zinc/51/83/23/583518323.db2.gz VJHOURZQFBZDAG-FMPXUHTOSA-N 1 3 294.399 -0.018 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851656436 583518341 /nfs/dbraw/zinc/51/83/41/583518341.db2.gz LCTUZZQFZVWCTC-SRVKXCTJSA-N 1 3 270.377 -0.243 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CNCCC1(F)F ZINC000851668163 583519648 /nfs/dbraw/zinc/51/96/48/583519648.db2.gz RYOOYVPOSAXODH-SFYZADRCSA-N 1 3 250.293 -0.109 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000851690498 583522165 /nfs/dbraw/zinc/52/21/65/583522165.db2.gz DIIGWCSVBSDQGS-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000851690496 583522191 /nfs/dbraw/zinc/52/21/91/583522191.db2.gz DIIGWCSVBSDQGS-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000851691606 583522487 /nfs/dbraw/zinc/52/24/87/583522487.db2.gz PMJLFNMTKOGUCM-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO NC[C@H]1CC(C(=O)NCC2([NH3+])CCCCC2)=NO1 ZINC000852789726 583552712 /nfs/dbraw/zinc/55/27/12/583552712.db2.gz DPTKYTBHUYNXBO-SECBINFHSA-N 1 3 254.334 -0.132 20 0 CBADHO NC[C@H]1CC(C(=O)NCCC[NH2+]Cc2cccnc2)=NO1 ZINC000852792800 583552734 /nfs/dbraw/zinc/55/27/34/583552734.db2.gz CZXQXFUOQUXQHJ-GFCCVEGCSA-N 1 3 291.355 -0.219 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852795870 583553047 /nfs/dbraw/zinc/55/30/47/583553047.db2.gz KCPXOZKHURIVHL-WCBMZHEXSA-N 1 3 254.334 -0.324 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852799799 583553276 /nfs/dbraw/zinc/55/32/76/583553276.db2.gz XDCLXXSIFQRIGK-VHSXEESVSA-N 1 3 256.350 -0.078 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852800356 583553572 /nfs/dbraw/zinc/55/35/72/583553572.db2.gz XLEWJVHVWZYTOB-CABZTGNLSA-N 1 3 256.350 -0.030 20 0 CBADHO NC[C@@H]1CC(C(=O)NCCC[NH+]2CCCC2)=NO1 ZINC000852856255 583561599 /nfs/dbraw/zinc/56/15/99/583561599.db2.gz WXQDSDLVIBHDLH-JTQLQIEISA-N 1 3 254.334 -0.308 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)=NO1 ZINC000852859319 583562134 /nfs/dbraw/zinc/56/21/34/583562134.db2.gz RMCQVMPKXMNIKC-DCAQKATOSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)=NO1 ZINC000852859319 583562135 /nfs/dbraw/zinc/56/21/35/583562135.db2.gz RMCQVMPKXMNIKC-DCAQKATOSA-N 1 3 266.345 -0.167 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852860131 583562174 /nfs/dbraw/zinc/56/21/74/583562174.db2.gz KXMRKYBHEFZYPE-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852860131 583562175 /nfs/dbraw/zinc/56/21/75/583562175.db2.gz KXMRKYBHEFZYPE-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)C[NH+]1CCCC1 ZINC000852860271 583562564 /nfs/dbraw/zinc/56/25/64/583562564.db2.gz OTRNVUAWHLYSSG-WDEREUQCSA-N 1 3 268.361 -0.062 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)C[NH+]1CCCC1 ZINC000852860265 583562581 /nfs/dbraw/zinc/56/25/81/583562581.db2.gz OTRNVUAWHLYSSG-GHMZBOCLSA-N 1 3 268.361 -0.062 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852861765 583562848 /nfs/dbraw/zinc/56/28/48/583562848.db2.gz IYKFCZBIFRGXJK-WDEREUQCSA-N 1 3 268.361 -0.064 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852861765 583562849 /nfs/dbraw/zinc/56/28/49/583562849.db2.gz IYKFCZBIFRGXJK-WDEREUQCSA-N 1 3 268.361 -0.064 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000852864295 583563574 /nfs/dbraw/zinc/56/35/74/583563574.db2.gz RJOGELXTWSXJRT-CYDGBPFRSA-N 1 3 283.372 -0.670 20 0 CBADHO CC[N@H+](CCNC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852864646 583563634 /nfs/dbraw/zinc/56/36/34/583563634.db2.gz CMCADLUVTSBKBV-SNVBAGLBSA-N 1 3 254.334 -0.310 20 0 CBADHO CC[N@@H+](CCNC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852864646 583563636 /nfs/dbraw/zinc/56/36/36/583563636.db2.gz CMCADLUVTSBKBV-SNVBAGLBSA-N 1 3 254.334 -0.310 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)=NO1 ZINC000852865619 583564079 /nfs/dbraw/zinc/56/40/79/583564079.db2.gz JZUCHMBUROYGQY-GHMZBOCLSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)=NO1 ZINC000852865619 583564081 /nfs/dbraw/zinc/56/40/81/583564081.db2.gz JZUCHMBUROYGQY-GHMZBOCLSA-N 1 3 266.345 -0.310 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCN(c3cc[nH+]cc3)CC2)=NO1 ZINC000852873519 583565550 /nfs/dbraw/zinc/56/55/50/583565550.db2.gz XILBIPCRQMDFFM-LBPRGKRZSA-N 1 3 289.339 -0.166 20 0 CBADHO NC[C@@H]1CC(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)=NO1 ZINC000852873919 583565566 /nfs/dbraw/zinc/56/55/66/583565566.db2.gz DMKMFWXXYYWDDS-ONGXEEELSA-N 1 3 289.339 -0.060 20 0 CBADHO NC[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)=NO1 ZINC000852875361 583565748 /nfs/dbraw/zinc/56/57/48/583565748.db2.gz IUAPXNRQQPYDLS-NAKRPEOUSA-N 1 3 266.345 -0.324 20 0 CBADHO CC[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CC[C@H]1[NH3+] ZINC000852879210 583566472 /nfs/dbraw/zinc/56/64/72/583566472.db2.gz RUAKIDOWIPKAGM-OPRDCNLKSA-N 1 3 254.334 -0.324 20 0 CBADHO COCC1(CNC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]CC1 ZINC000852879333 583566499 /nfs/dbraw/zinc/56/64/99/583566499.db2.gz VAVAKSOHHSBBAC-SNVBAGLBSA-N 1 3 284.360 -0.778 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882645 583567492 /nfs/dbraw/zinc/56/74/92/583567492.db2.gz NRPIFXJMUYTREE-TUAOUCFPSA-N 1 3 280.372 -0.062 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)=NO1 ZINC000852883291 583567728 /nfs/dbraw/zinc/56/77/28/583567728.db2.gz XGAPKZNLFMVXQI-VDTYLAMSSA-N 1 3 268.239 -0.514 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H](C[NH3+])C2CCCC2)=NO1 ZINC000852889523 583569836 /nfs/dbraw/zinc/56/98/36/583569836.db2.gz FGWCRAUEBZKPIV-ONGXEEELSA-N 1 3 254.334 -0.276 20 0 CBADHO C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C[C@@H]1C[NH3+] ZINC000852890373 583569996 /nfs/dbraw/zinc/56/99/96/583569996.db2.gz JIDDWFWBCKVNRR-KXUCPTDWSA-N 1 3 254.334 -0.467 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852895477 583570888 /nfs/dbraw/zinc/57/08/88/583570888.db2.gz CLXXBMJLDAFBIC-LLVKDONJSA-N 1 3 284.360 -0.683 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852893994 583570910 /nfs/dbraw/zinc/57/09/10/583570910.db2.gz LOPFYZSPMPAWII-LLVKDONJSA-N 1 3 268.361 -0.110 20 0 CBADHO COCCCN(C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861592908 583771934 /nfs/dbraw/zinc/77/19/34/583771934.db2.gz WLSOPSXNIMZCDB-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000861645760 583775328 /nfs/dbraw/zinc/77/53/28/583775328.db2.gz IDSDCKRTNUKJIG-VIFPVBQESA-N 1 3 280.319 -0.481 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000861712828 583780510 /nfs/dbraw/zinc/78/05/10/583780510.db2.gz URBYTIKIQCAKSB-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000861712828 583780512 /nfs/dbraw/zinc/78/05/12/583780512.db2.gz URBYTIKIQCAKSB-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000861712830 583780520 /nfs/dbraw/zinc/78/05/20/583780520.db2.gz URBYTIKIQCAKSB-YNEHKIRRSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000861712830 583780522 /nfs/dbraw/zinc/78/05/22/583780522.db2.gz URBYTIKIQCAKSB-YNEHKIRRSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N1CCCCC1 ZINC000861728992 583781712 /nfs/dbraw/zinc/78/17/12/583781712.db2.gz NLPQRWXBUVOHHP-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000861757137 583784488 /nfs/dbraw/zinc/78/44/88/583784488.db2.gz MYSNAMLLXBQOHD-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000861757135 583784563 /nfs/dbraw/zinc/78/45/63/583784563.db2.gz MYSNAMLLXBQOHD-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861786715 583786534 /nfs/dbraw/zinc/78/65/34/583786534.db2.gz OSRARINWWITZBA-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000863755418 583853149 /nfs/dbraw/zinc/85/31/49/583853149.db2.gz PFRGSBBOJLHOLP-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863765724 583855017 /nfs/dbraw/zinc/85/50/17/583855017.db2.gz SXDYZUCJUJNHSI-LLVKDONJSA-N 1 3 272.393 -0.409 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000863768693 583855210 /nfs/dbraw/zinc/85/52/10/583855210.db2.gz RUXNVHIIHHPCRI-LLVKDONJSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554171 583924101 /nfs/dbraw/zinc/92/41/01/583924101.db2.gz GAZPJVIPFBMPAU-VNHYZAJKSA-N 1 3 297.399 -0.314 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554171 583924103 /nfs/dbraw/zinc/92/41/03/583924103.db2.gz GAZPJVIPFBMPAU-VNHYZAJKSA-N 1 3 297.399 -0.314 20 0 CBADHO Cn1nnnc1CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000866661396 583926205 /nfs/dbraw/zinc/92/62/05/583926205.db2.gz QFIKGPYJUSCNME-GARJFASQSA-N 1 3 250.350 -0.188 20 0 CBADHO CCOCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707641 583927738 /nfs/dbraw/zinc/92/77/38/583927738.db2.gz JAJLWZHZWKOWCQ-UTUOFQBUSA-N 1 3 269.345 -0.110 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC1(C)C ZINC000868406162 583977902 /nfs/dbraw/zinc/97/79/02/583977902.db2.gz MDPQEZDDDFWJHL-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868421462 583979176 /nfs/dbraw/zinc/97/91/76/583979176.db2.gz LNMTYHBEXDIKCQ-VXGBXAGGSA-N 1 3 282.388 -0.641 20 0 CBADHO CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](CN)C1 ZINC000870938873 584022310 /nfs/dbraw/zinc/02/23/10/584022310.db2.gz VQJYVTOIMHROAT-IJLUTSLNSA-N 1 3 254.378 -0.395 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980906 584023986 /nfs/dbraw/zinc/02/39/86/584023986.db2.gz DSHGDHRCOLVZLF-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980906 584023987 /nfs/dbraw/zinc/02/39/87/584023987.db2.gz DSHGDHRCOLVZLF-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)CC[C@@H]21 ZINC000870981246 584024003 /nfs/dbraw/zinc/02/40/03/584024003.db2.gz GTMYURWLSKUALF-UPJWGTAASA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)CC[C@@H]21 ZINC000870981246 584024004 /nfs/dbraw/zinc/02/40/04/584024004.db2.gz GTMYURWLSKUALF-UPJWGTAASA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@@H](NC(=O)C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000870983956 584024509 /nfs/dbraw/zinc/02/45/09/584024509.db2.gz DWHFBDFEWSDMMA-ZYHUDNBSSA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999810 584024723 /nfs/dbraw/zinc/02/47/23/584024723.db2.gz PXFTUSPCAYTMNP-WYUUTHIRSA-N 1 3 296.371 -0.637 20 0 CBADHO COCCN(C)C(=[NH2+])NCCN1CCCN(C)CC1 ZINC000871603758 584043284 /nfs/dbraw/zinc/04/32/84/584043284.db2.gz GKTFPGMXJONRTP-UHFFFAOYSA-N 1 3 271.409 -0.274 20 0 CBADHO Cn1nnnc1C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146227 584048155 /nfs/dbraw/zinc/04/81/55/584048155.db2.gz IPZBRVVWFNALGW-LBPRGKRZSA-N 1 3 292.387 -0.090 20 0 CBADHO O=C1OC[C@@]2(C[NH2+]C[C@H](O)CN3CCCC3)COCCN12 ZINC000872227454 584051419 /nfs/dbraw/zinc/05/14/19/584051419.db2.gz FHPYSCQBEZMTAL-GXTWGEPZSA-N 1 3 299.371 -0.746 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000872276720 584052998 /nfs/dbraw/zinc/05/29/98/584052998.db2.gz 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584155162 /nfs/dbraw/zinc/15/51/62/584155162.db2.gz BMTNRVXJAZXWLX-RRNNCXACSA-N 1 3 253.346 -0.353 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876917678 584155467 /nfs/dbraw/zinc/15/54/67/584155467.db2.gz AYHSPZSHBYWEDI-HZSPNIEDSA-N 1 3 298.431 -0.380 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C[C@H]1C[NH3+] ZINC000876927852 584156219 /nfs/dbraw/zinc/15/62/19/584156219.db2.gz NIWGAUAKVPWCNA-KXNHARMFSA-N 1 3 256.394 -0.293 20 0 CBADHO C[C@H]1CC2(CN1C(=O)[C@@H](N)CN(C)C)CC[NH2+]CC2 ZINC000876933275 584156477 /nfs/dbraw/zinc/15/64/77/584156477.db2.gz KYZXUKCXPGQYLE-RYUDHWBXSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1CC[NH3+] ZINC000876949008 584157643 /nfs/dbraw/zinc/15/76/43/584157643.db2.gz NQHJUEMLSZIYGO-SRVKXCTJSA-N 1 3 256.394 -0.149 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000876985243 584159898 /nfs/dbraw/zinc/15/98/98/584159898.db2.gz ORQPZSYTHBWDKH-MFKMUULPSA-N 1 3 263.345 -0.168 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006261 584161397 /nfs/dbraw/zinc/16/13/97/584161397.db2.gz ZCCMNMSNPANCPL-WCBMZHEXSA-N 1 3 252.318 -0.509 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CNCC3)C[NH2+]1 ZINC000877052935 584164310 /nfs/dbraw/zinc/16/43/10/584164310.db2.gz YSTIYZPXVIVANY-DTWKUNHWSA-N 1 3 263.345 -0.074 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000877102760 584166049 /nfs/dbraw/zinc/16/60/49/584166049.db2.gz DBQZZBCVRVLNPY-WDEREUQCSA-N 1 3 270.377 -0.798 20 0 CBADHO [NH3+]CC12CCC(CC1)N2C(=O)CN1CCNCC1 ZINC000877186354 584169973 /nfs/dbraw/zinc/16/99/73/584169973.db2.gz SEIHNCTWMSBYCR-UHFFFAOYSA-N 1 3 252.362 -0.626 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877267284 584173778 /nfs/dbraw/zinc/17/37/78/584173778.db2.gz WOMJWMGHMAIRQV-WOPDTQHZSA-N 1 3 254.378 -0.524 20 0 CBADHO COCCC1(NC(=O)[C@@]2(F)CCNC2)CC[NH2+]CC1 ZINC000877267396 584173837 /nfs/dbraw/zinc/17/38/37/584173837.db2.gz USBCHTKFSHWPOX-CYBMUJFWSA-N 1 3 273.352 -0.037 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289919 584176162 /nfs/dbraw/zinc/17/61/62/584176162.db2.gz WUKDKJIPCBVWHV-IJLUTSLNSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335705 584179072 /nfs/dbraw/zinc/17/90/72/584179072.db2.gz DQZGVDCRPPTRLN-OLZOCXBDSA-N 1 3 297.399 -0.360 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335707 584179089 /nfs/dbraw/zinc/17/90/89/584179089.db2.gz DQZGVDCRPPTRLN-QWHCGFSZSA-N 1 3 297.399 -0.360 20 0 CBADHO COCCNCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371843 584179786 /nfs/dbraw/zinc/17/97/86/584179786.db2.gz WQBMHDCTRUJAMW-IUCAKERBSA-N 1 3 283.294 -0.182 20 0 CBADHO COCCN(CCn1cnnn1)CC1CC[NH+](C)CC1 ZINC000879125504 584227116 /nfs/dbraw/zinc/22/71/16/584227116.db2.gz CVSLDIDLGMBVTR-UHFFFAOYSA-N 1 3 282.392 -0.037 20 0 CBADHO COCC[N@H+](CCn1cnnn1)CC1CCN(C)CC1 ZINC000879125504 584227117 /nfs/dbraw/zinc/22/71/17/584227117.db2.gz CVSLDIDLGMBVTR-UHFFFAOYSA-N 1 3 282.392 -0.037 20 0 CBADHO COCC[N@@H+](CCn1cnnn1)CC1CCN(C)CC1 ZINC000879125504 584227119 /nfs/dbraw/zinc/22/71/19/584227119.db2.gz CVSLDIDLGMBVTR-UHFFFAOYSA-N 1 3 282.392 -0.037 20 0 CBADHO C[C@]12CN(C[C@@H](O)C[NH+]3CCCC3)C[C@]1(C)C(=O)NC2=O ZINC000879158777 584228820 /nfs/dbraw/zinc/22/88/20/584228820.db2.gz XYMIGOJLEQIXIK-NILFDRSVSA-N 1 3 295.383 -0.572 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H](CO)CN2CCCC2)CC[N@@H+]1C ZINC000879990631 584258097 /nfs/dbraw/zinc/25/80/97/584258097.db2.gz DXBJPOXBSSBTRQ-FRRDWIJNSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H](CO)CN2CCCC2)CC[N@H+]1C ZINC000879990631 584258098 /nfs/dbraw/zinc/25/80/98/584258098.db2.gz DXBJPOXBSSBTRQ-FRRDWIJNSA-N 1 3 269.389 -0.101 20 0 CBADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCn3cnnn3)CC2)C1 ZINC000883432888 584342239 /nfs/dbraw/zinc/34/22/39/584342239.db2.gz CNPSLWDQKWROOZ-STQMWFEESA-N 1 3 280.376 -0.109 20 0 CBADHO CC(C)(C[NH3+])NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884026266 584356459 /nfs/dbraw/zinc/35/64/59/584356459.db2.gz YFBVXUVVWVNASG-UHFFFAOYSA-N 1 3 277.372 -0.042 20 0 CBADHO COCC[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000884192227 584365306 /nfs/dbraw/zinc/36/53/06/584365306.db2.gz ZRTSZPRAXKZCRK-ZYHUDNBSSA-N 1 3 275.418 -0.096 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884234219 584369038 /nfs/dbraw/zinc/36/90/38/584369038.db2.gz MKODKGXEEVVWGH-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000884238942 584369529 /nfs/dbraw/zinc/36/95/29/584369529.db2.gz KOUFIHNLUYUWCQ-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+][C@@H](CNC(=O)c1ccnc(N2CCNCC2)c1)C1CC1 ZINC000884241721 584369592 /nfs/dbraw/zinc/36/95/92/584369592.db2.gz AHKKQUHHESEUHM-ZDUSSCGKSA-N 1 3 289.383 -0.042 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000884336369 584375196 /nfs/dbraw/zinc/37/51/96/584375196.db2.gz OQJCLVCRANGJHO-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CCOC)C[C@H]1C[NH3+] ZINC000884385964 584377919 /nfs/dbraw/zinc/37/79/19/584377919.db2.gz ALYKPGLKJGAJMY-GMTAPVOTSA-N 1 3 259.350 -0.828 20 0 CBADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](CN)OC ZINC000884450265 584382222 /nfs/dbraw/zinc/38/22/22/584382222.db2.gz CUJUSMVUXKNHLH-ZDUSSCGKSA-N 1 3 287.404 -0.223 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000884528939 584386466 /nfs/dbraw/zinc/38/64/66/584386466.db2.gz BBPLSGMZUBMJQS-QWRGUYRKSA-N 1 3 282.388 -0.465 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCCC(C)(C)[NH3+])CCC1 ZINC000884529131 584386728 /nfs/dbraw/zinc/38/67/28/584386728.db2.gz HXEBPAYXOJHWBQ-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884545536 584387366 /nfs/dbraw/zinc/38/73/66/584387366.db2.gz KOOWQKLKSZZHFP-BETUJISGSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884601587 584389708 /nfs/dbraw/zinc/38/97/08/584389708.db2.gz PZKPVMOZEGLLML-JQWIXIFHSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)N(C)C1CC1 ZINC000884616900 584391193 /nfs/dbraw/zinc/39/11/93/584391193.db2.gz DTVJRCJEWNCXGV-GMTAPVOTSA-N 1 3 282.388 -0.467 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000884650505 584392524 /nfs/dbraw/zinc/39/25/24/584392524.db2.gz MGCZDQQWPJJCGB-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884697885 584398397 /nfs/dbraw/zinc/39/83/97/584398397.db2.gz GIIKVHRNXUYBNE-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884705345 584399496 /nfs/dbraw/zinc/39/94/96/584399496.db2.gz QLVVUUIOUGBFTG-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000884705354 584399587 /nfs/dbraw/zinc/39/95/87/584399587.db2.gz QWLTXDOTZNPWLX-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C(N)=O)N(C)[C@@H]1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438852 /nfs/dbraw/zinc/43/88/52/584438852.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 1 3 284.404 -0.091 20 0 CBADHO C[C@H](C(N)=O)N(C)[C@@H]1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438853 /nfs/dbraw/zinc/43/88/53/584438853.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 1 3 284.404 -0.091 20 0 CBADHO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CC[C@@H](N(C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438855 /nfs/dbraw/zinc/43/88/55/584438855.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 1 3 284.404 -0.091 20 0 CBADHO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CC[C@@H](N(C)[C@@H](C)C(N)=O)CC1 ZINC000886389505 584438857 /nfs/dbraw/zinc/43/88/57/584438857.db2.gz LZDSWGDDYHTXSK-CDECOKDKSA-N 1 3 284.404 -0.091 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000887087980 584462974 /nfs/dbraw/zinc/46/29/74/584462974.db2.gz GQIGUDFCOOTZRA-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000887087980 584462976 /nfs/dbraw/zinc/46/29/76/584462976.db2.gz GQIGUDFCOOTZRA-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(C(=O)NCCN(C)CCOC)[C@H]1CC[NH2+]C1 ZINC000891493175 584582511 /nfs/dbraw/zinc/58/25/11/584582511.db2.gz NDJCAEKOVKOFKQ-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513951 584583320 /nfs/dbraw/zinc/58/33/20/584583320.db2.gz KHPDEANIMLUKMJ-ZDEQEGDKSA-N 1 3 282.388 -0.114 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513941 584583341 /nfs/dbraw/zinc/58/33/41/584583341.db2.gz KHPDEANIMLUKMJ-FDYHWXHSSA-N 1 3 282.388 -0.114 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513946 584583652 /nfs/dbraw/zinc/58/36/52/584583652.db2.gz KHPDEANIMLUKMJ-RNJOBUHISA-N 1 3 282.388 -0.114 20 0 CBADHO CC(C)([NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892030906 584599901 /nfs/dbraw/zinc/59/99/01/584599901.db2.gz PKRUNVWSHOJXNR-JTQLQIEISA-N 1 3 272.393 -0.132 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892044043 584600828 /nfs/dbraw/zinc/60/08/28/584600828.db2.gz GOYCPJHYPWXKPJ-QWRGUYRKSA-N 1 3 272.393 -0.274 20 0 CBADHO COCCNCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892055947 584602379 /nfs/dbraw/zinc/60/23/79/584602379.db2.gz NTDDCFGVFQYXAS-AAEUAGOBSA-N 1 3 270.377 -0.194 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)CC1 ZINC000892179787 584607741 /nfs/dbraw/zinc/60/77/41/584607741.db2.gz KJRFLBJNIVEYJB-IJLUTSLNSA-N 1 3 270.377 -0.209 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CNCCO3)CC[C@@H]21 ZINC000892181827 584607747 /nfs/dbraw/zinc/60/77/47/584607747.db2.gz VYBQNEGMFJJKGG-AGIUHOORSA-N 1 3 282.388 -0.290 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CNCCO3)CC[C@@H]21 ZINC000892181827 584607750 /nfs/dbraw/zinc/60/77/50/584607750.db2.gz VYBQNEGMFJJKGG-AGIUHOORSA-N 1 3 282.388 -0.290 20 0 CBADHO [NH3+][C@@H]1CCCCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000892179108 584607816 /nfs/dbraw/zinc/60/78/16/584607816.db2.gz GNZGGQXCDYJPBE-NEPJUHHUSA-N 1 3 270.377 -0.112 20 0 CBADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CNCCO1 ZINC000892183851 584608029 /nfs/dbraw/zinc/60/80/29/584608029.db2.gz LRKLMJVQWPKVQS-RNJOBUHISA-N 1 3 282.388 -0.195 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892183114 584608063 /nfs/dbraw/zinc/60/80/63/584608063.db2.gz BURGXJUGFSHCDP-TUAOUCFPSA-N 1 3 268.361 -0.489 20 0 CBADHO CCC1([NH3+])CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000892187733 584608343 /nfs/dbraw/zinc/60/83/43/584608343.db2.gz CEYPHMCNRTZLHJ-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000892189980 584608653 /nfs/dbraw/zinc/60/86/53/584608653.db2.gz QTFZSKCOIOBYKB-GMTAPVOTSA-N 1 3 256.350 -0.456 20 0 CBADHO CCN(C(=O)NC[C@@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000892190283 584609016 /nfs/dbraw/zinc/60/90/16/584609016.db2.gz XWHXTZZRQSLRAC-QWRGUYRKSA-N 1 3 256.350 -0.632 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000892551835 584618297 /nfs/dbraw/zinc/61/82/97/584618297.db2.gz NIEAFCSPDRGHQT-FRRDWIJNSA-N 1 3 284.404 -0.130 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](CN)C1 ZINC000892549551 584618391 /nfs/dbraw/zinc/61/83/91/584618391.db2.gz WHMOZHWTAJZKDB-AXFHLTTASA-N 1 3 255.366 -0.992 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562628 584618981 /nfs/dbraw/zinc/61/89/81/584618981.db2.gz JEZHVVSGZBMLMZ-TXEJJXNPSA-N 1 3 272.393 -0.057 20 0 CBADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892790119 584625939 /nfs/dbraw/zinc/62/59/39/584625939.db2.gz XPRKLQGPAWMCBU-AWEZNQCLSA-N 1 3 292.383 -0.337 20 0 CBADHO CN1CCN(C(=O)NCCC(C)(C)[NH3+])[C@H](CN)C1 ZINC000892852029 584628545 /nfs/dbraw/zinc/62/85/45/584628545.db2.gz YQSZHMNWLZWMHP-SNVBAGLBSA-N 1 3 257.382 -0.602 20 0 CBADHO C[C@H]1[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@@H+]1C ZINC000896617772 584703983 /nfs/dbraw/zinc/70/39/83/584703983.db2.gz KADYEDBESCXMMB-KBPBESRZSA-N 1 3 297.447 -0.032 20 0 CBADHO C[C@H]1[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@H+]1C ZINC000896617772 584703984 /nfs/dbraw/zinc/70/39/84/584703984.db2.gz KADYEDBESCXMMB-KBPBESRZSA-N 1 3 297.447 -0.032 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@H]1CCCC[NH2+]C1 ZINC000899630086 584761802 /nfs/dbraw/zinc/76/18/02/584761802.db2.gz OTOAMEKLVDTAHY-UWVGGRQHSA-N 1 3 275.374 -0.217 20 0 CBADHO CN1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899936329 584785923 /nfs/dbraw/zinc/78/59/23/584785923.db2.gz ZEZXZJTXYSFQLV-AWEZNQCLSA-N 1 3 269.389 -0.003 20 0 CBADHO CN1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899936329 584785926 /nfs/dbraw/zinc/78/59/26/584785926.db2.gz ZEZXZJTXYSFQLV-AWEZNQCLSA-N 1 3 269.389 -0.003 20 0 CBADHO CN(C)CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900009471 584788951 /nfs/dbraw/zinc/78/89/51/584788951.db2.gz IRHQQCAECKYTFA-UHFFFAOYSA-N 1 3 280.416 -0.212 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000900306265 584799224 /nfs/dbraw/zinc/79/92/24/584799224.db2.gz QDQNDITXSORPFT-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000900306265 584799225 /nfs/dbraw/zinc/79/92/25/584799225.db2.gz QDQNDITXSORPFT-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C)CCn1nccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000901185634 584853870 /nfs/dbraw/zinc/85/38/70/584853870.db2.gz FIOIEUDACQPXHM-AWEZNQCLSA-N 1 3 297.403 -0.513 20 0 CBADHO CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CC1 ZINC000902464654 584877324 /nfs/dbraw/zinc/87/73/24/584877324.db2.gz BDMYGJVCZSWUED-QJPTWQEYSA-N 1 3 273.402 -0.107 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)N(C)C)C2 ZINC000903493167 584891946 /nfs/dbraw/zinc/89/19/46/584891946.db2.gz NIFXRHIPSROWTC-DEKYYXRVSA-N 1 3 283.372 -0.325 20 0 CBADHO C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N(C)C ZINC000903496917 584892094 /nfs/dbraw/zinc/89/20/94/584892094.db2.gz KDQOCDNOWCALKR-IJLUTSLNSA-N 1 3 284.404 -0.504 20 0 CBADHO Cn1ccnc1[C@H]1CNCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903747010 584897022 /nfs/dbraw/zinc/89/70/22/584897022.db2.gz NKPOKMPNHAHQJV-ZIAGYGMSSA-N 1 3 293.415 -0.177 20 0 CBADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746307 584897044 /nfs/dbraw/zinc/89/70/44/584897044.db2.gz CCYPVESSBODTDG-AVGNSLFASA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C ZINC000903750807 584897401 /nfs/dbraw/zinc/89/74/01/584897401.db2.gz UINGSERWLWPGKC-AVGNSLFASA-N 1 3 296.415 -0.123 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903749722 584897427 /nfs/dbraw/zinc/89/74/27/584897427.db2.gz PKEAYMHUTZKBTA-YDHLFZDLSA-N 1 3 297.399 -0.408 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1 ZINC000903769145 584897983 /nfs/dbraw/zinc/89/79/83/584897983.db2.gz YRCDLDJUKWCDCM-LJISPDSOSA-N 1 3 281.400 -0.494 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1 ZINC000903769144 584898026 /nfs/dbraw/zinc/89/80/26/584898026.db2.gz YRCDLDJUKWCDCM-GBJTYRQASA-N 1 3 281.400 -0.494 20 0 CBADHO CC(=O)NCCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764708 584898061 /nfs/dbraw/zinc/89/80/61/584898061.db2.gz VGVZYFUMRZTRPG-QWHCGFSZSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(=O)N[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903768651 584898126 /nfs/dbraw/zinc/89/81/26/584898126.db2.gz OHZDIXBXQWIGEC-MGPQQGTHSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+]CCN(C(=O)C(=O)N(C)CCN1CCCC1)C(C)C ZINC000903809788 584900556 /nfs/dbraw/zinc/90/05/56/584900556.db2.gz WABJXWOIEXMCRH-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH2+]CCN(C(=O)C(=O)N(C)CCN(C)C1CC1)C(C)C ZINC000903816789 584900823 /nfs/dbraw/zinc/90/08/23/584900823.db2.gz WRXPWAFFWBNWQU-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000903830181 584901446 /nfs/dbraw/zinc/90/14/46/584901446.db2.gz VOUICYZESFRGKA-CYBMUJFWSA-N 1 3 257.378 -0.051 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCCCCNC(=O)CC1 ZINC000903830181 584901447 /nfs/dbraw/zinc/90/14/47/584901447.db2.gz VOUICYZESFRGKA-CYBMUJFWSA-N 1 3 257.378 -0.051 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CCCCCNC(=O)CC1 ZINC000903830181 584901448 /nfs/dbraw/zinc/90/14/48/584901448.db2.gz VOUICYZESFRGKA-CYBMUJFWSA-N 1 3 257.378 -0.051 20 0 CBADHO COCC[C@H]1C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000903837044 584901647 /nfs/dbraw/zinc/90/16/47/584901647.db2.gz AQIHCQLOEQBJHV-QWHCGFSZSA-N 1 3 269.389 -0.182 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864473 584902533 /nfs/dbraw/zinc/90/25/33/584902533.db2.gz VKRJHPDTPSARGK-IHRRRGAJSA-N 1 3 271.405 -0.261 20 0 CBADHO NC(=O)[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903889970 584904083 /nfs/dbraw/zinc/90/40/83/584904083.db2.gz WTKZMBYLYRLGPZ-YATPEIPISA-N 1 3 253.346 -0.297 20 0 CBADHO NS(=O)(=O)[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908921 584904336 /nfs/dbraw/zinc/90/43/36/584904336.db2.gz PYSPBJHPYYXBIP-YATPEIPISA-N 1 3 273.402 -0.120 20 0 CBADHO COCCNCCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919671 584904711 /nfs/dbraw/zinc/90/47/11/584904711.db2.gz PLYWMMWWEWJPPC-GFCCVEGCSA-N 1 3 282.392 -0.472 20 0 CBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000903953617 584905089 /nfs/dbraw/zinc/90/50/89/584905089.db2.gz HCUVWMLSUCSYMO-RQJABVFESA-N 1 3 281.400 -0.114 20 0 CBADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000903953617 584905090 /nfs/dbraw/zinc/90/50/90/584905090.db2.gz HCUVWMLSUCSYMO-RQJABVFESA-N 1 3 281.400 -0.114 20 0 CBADHO CC(C)[C@@H](CN)C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970021 584905320 /nfs/dbraw/zinc/90/53/20/584905320.db2.gz OWTYDVLIODCSRL-NWDGAFQWSA-N 1 3 277.434 -0.416 20 0 CBADHO CC(C)[C@@H](C[NH3+])CNCC[C@@H]1CNCCS1(=O)=O ZINC000903970021 584905321 /nfs/dbraw/zinc/90/53/21/584905321.db2.gz OWTYDVLIODCSRL-NWDGAFQWSA-N 1 3 277.434 -0.416 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1)[NH+](C)C ZINC000969845770 614189327 /nfs/dbraw/zinc/18/93/27/614189327.db2.gz JCGOVZLUFYSQCT-JHJVBQTASA-N 1 3 296.415 -0.348 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC000968737964 615584626 /nfs/dbraw/zinc/58/46/26/615584626.db2.gz KKKXHYQQOAOZDK-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC000968737964 615584627 /nfs/dbraw/zinc/58/46/27/615584627.db2.gz KKKXHYQQOAOZDK-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC[N@@H+]1C ZINC000959989013 615585574 /nfs/dbraw/zinc/58/55/74/615585574.db2.gz BLVGXJJNSUTCAW-ODXJTPSBSA-N 1 3 281.400 -0.245 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC[N@H+]1C ZINC000959989013 615585575 /nfs/dbraw/zinc/58/55/75/615585575.db2.gz BLVGXJJNSUTCAW-ODXJTPSBSA-N 1 3 281.400 -0.245 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1)N(C)C ZINC000969077559 615602733 /nfs/dbraw/zinc/60/27/33/615602733.db2.gz WNZGOMIFFLKNMF-IJLUTSLNSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969813569 615821926 /nfs/dbraw/zinc/82/19/26/615821926.db2.gz AUOXGHLPIXUNSP-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC000970716392 615822165 /nfs/dbraw/zinc/82/21/65/615822165.db2.gz DAADZVHLRSAYIC-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)C1CC1 ZINC000971677375 615987888 /nfs/dbraw/zinc/98/78/88/615987888.db2.gz JQNDZBQUTKJZOV-OLZOCXBDSA-N 1 3 269.389 -0.148 20 0 CBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)C1CC1 ZINC000971677375 615987890 /nfs/dbraw/zinc/98/78/90/615987890.db2.gz JQNDZBQUTKJZOV-OLZOCXBDSA-N 1 3 269.389 -0.148 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC000968924811 616045212 /nfs/dbraw/zinc/04/52/12/616045212.db2.gz YERRLNHFZBWINJ-YPMHNXCESA-N 1 3 294.399 -0.450 20 0 CBADHO C[N@H+](CCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406582 616109998 /nfs/dbraw/zinc/10/99/98/616109998.db2.gz QNPDOWCGIGZEBX-GFCCVEGCSA-N 1 3 255.362 -0.393 20 0 CBADHO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406582 616109999 /nfs/dbraw/zinc/10/99/99/616109999.db2.gz QNPDOWCGIGZEBX-GFCCVEGCSA-N 1 3 255.362 -0.393 20 0 CBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC000969800132 616166688 /nfs/dbraw/zinc/16/66/88/616166688.db2.gz JZIORMAFSYBEAL-CHWSQXEVSA-N 1 3 294.399 -0.593 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969100243 616183161 /nfs/dbraw/zinc/18/31/61/616183161.db2.gz ZDMSREYFUUCWSS-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000967924874 616192054 /nfs/dbraw/zinc/19/20/54/616192054.db2.gz JZGDZGMEZXULLK-CHWSQXEVSA-N 1 3 292.387 -0.437 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000977604310 616267146 /nfs/dbraw/zinc/26/71/46/616267146.db2.gz VSWIQHXXAMCDGO-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000977604310 616267147 /nfs/dbraw/zinc/26/71/47/616267147.db2.gz VSWIQHXXAMCDGO-VXGBXAGGSA-N 1 3 269.389 -0.243 20 0 CBADHO COCCN1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374809 616443339 /nfs/dbraw/zinc/44/33/39/616443339.db2.gz OOZNJJCYWFFXOP-ZIAGYGMSSA-N 1 3 299.415 -0.617 20 0 CBADHO COCCN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590954 616444191 /nfs/dbraw/zinc/44/41/91/616444191.db2.gz DCXVTVAKLHQFGL-CHWSQXEVSA-N 1 3 297.399 -0.863 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702422109 656180632 /nfs/dbraw/zinc/18/06/32/656180632.db2.gz RGAOMHFYXXRHKQ-NEPJUHHUSA-N 1 3 256.394 -0.278 20 0 CBADHO CC1(C)CC[C@@H](CNS(=O)(=O)C2CNC2)[NH2+]C1 ZINC000923664932 658388685 /nfs/dbraw/zinc/38/86/85/658388685.db2.gz FKUAFPRCYZMLQI-VIFPVBQESA-N 1 3 261.391 -0.344 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923571571 658334267 /nfs/dbraw/zinc/33/42/67/658334267.db2.gz FBBIXAUICRBBFC-LLVKDONJSA-N 1 3 278.422 -0.511 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923572759 658334291 /nfs/dbraw/zinc/33/42/91/658334291.db2.gz LGTUTPINDDNLCW-QWRGUYRKSA-N 1 3 276.406 -0.804 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)N3CCNCC3)C[C@@H]21 ZINC000923637514 658369161 /nfs/dbraw/zinc/36/91/61/658369161.db2.gz QJPZXJCYSLAICW-SDDRHHMPSA-N 1 3 288.417 -0.804 20 0 CBADHO CC[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000923636735 658369581 /nfs/dbraw/zinc/36/95/81/658369581.db2.gz NHGPNGUGHGUCCH-MNOVXSKESA-N 1 3 276.406 -0.804 20 0 CBADHO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923642313 658371031 /nfs/dbraw/zinc/37/10/31/658371031.db2.gz CCOBBQIOBAGQEF-NSHDSACASA-N 1 3 276.406 -0.660 20 0 CBADHO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923642312 658371824 /nfs/dbraw/zinc/37/18/24/658371824.db2.gz CCOBBQIOBAGQEF-LLVKDONJSA-N 1 3 276.406 -0.660 20 0 CBADHO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)N1CCNCC1 ZINC000923652290 658378763 /nfs/dbraw/zinc/37/87/63/658378763.db2.gz KWJFDVMTVMNBKQ-UHFFFAOYSA-N 1 3 288.417 -0.660 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923655336 658381228 /nfs/dbraw/zinc/38/12/28/658381228.db2.gz NPCHAHPBAXOURD-LBPRGKRZSA-N 1 3 287.429 0.000 20 0 CBADHO COCCC[N@H+](C)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924693634 658631566 /nfs/dbraw/zinc/63/15/66/658631566.db2.gz FGTGERAVIIUNQW-LLVKDONJSA-N 1 3 286.376 -0.563 20 0 CBADHO COCCC[N@@H+](C)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924693634 658631571 /nfs/dbraw/zinc/63/15/71/658631571.db2.gz FGTGERAVIIUNQW-LLVKDONJSA-N 1 3 286.376 -0.563 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCO ZINC000925014187 658782219 /nfs/dbraw/zinc/78/22/19/658782219.db2.gz FCBLPKZHXNQLCW-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCO ZINC000925014187 658782304 /nfs/dbraw/zinc/78/23/04/658782304.db2.gz FCBLPKZHXNQLCW-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925320973 658824644 /nfs/dbraw/zinc/82/46/44/658824644.db2.gz IGDGVEIGBIUPAM-ZJUUUORDSA-N 1 3 254.334 -0.437 20 0 CBADHO CC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925320973 658824645 /nfs/dbraw/zinc/82/46/45/658824645.db2.gz IGDGVEIGBIUPAM-ZJUUUORDSA-N 1 3 254.334 -0.437 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1NCCCn1cc(CO)nn1 ZINC000925668676 658864416 /nfs/dbraw/zinc/86/44/16/658864416.db2.gz JSINOSUWEYOSSX-ZYHUDNBSSA-N 1 3 253.350 -0.109 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC[C@@H]1CNCCS1(=O)=O ZINC000925789569 658871769 /nfs/dbraw/zinc/87/17/69/658871769.db2.gz WDXCAKACTOTVRD-UPJWGTAASA-N 1 3 289.445 -0.259 20 0 CBADHO C[N@H+](C[C@@H](O)CN1CCCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000930597233 659310406 /nfs/dbraw/zinc/31/04/06/659310406.db2.gz GUIUDQVOSQSZEY-ILXRZTDVSA-N 1 3 283.416 -0.152 20 0 CBADHO C[N@@H+](C[C@@H](O)CN1CCCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000930597233 659310411 /nfs/dbraw/zinc/31/04/11/659310411.db2.gz GUIUDQVOSQSZEY-ILXRZTDVSA-N 1 3 283.416 -0.152 20 0 CBADHO OC[C@@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000930804649 659341571 /nfs/dbraw/zinc/34/15/71/659341571.db2.gz LWCVKSDBPGBDTG-ZDUSSCGKSA-N 1 3 251.330 -0.053 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NC1CC1 ZINC000066246633 656036173 /nfs/dbraw/zinc/03/61/73/656036173.db2.gz XYOCRRJPRTZXQX-LBPRGKRZSA-N 1 3 281.404 -0.004 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000068890081 656038292 /nfs/dbraw/zinc/03/82/92/656038292.db2.gz AIJARCWTQUZDEO-BDAKNGLRSA-N 1 3 283.294 -0.304 20 0 CBADHO CCNC(=O)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070171072 656039915 /nfs/dbraw/zinc/03/99/15/656039915.db2.gz QVSKHJVRYFKSDT-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO O=C(C[NH2+]C1CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000091668839 656058865 /nfs/dbraw/zinc/05/88/65/656058865.db2.gz YNUIWWWBAQKRCL-RYUDHWBXSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000091668586 656059236 /nfs/dbraw/zinc/05/92/36/656059236.db2.gz OCCUYDGQRPMBBO-QWHCGFSZSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000092957563 656060503 /nfs/dbraw/zinc/06/05/03/656060503.db2.gz LMIDITYHLLQYSN-LOWDOPEQSA-N 1 3 267.373 -0.036 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC1=O ZINC000179085883 656089754 /nfs/dbraw/zinc/08/97/54/656089754.db2.gz KFEVLSVVUUJQHM-RYUDHWBXSA-N 1 3 282.388 -0.783 20 0 CBADHO O=C(NCC1CC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC000188183159 656095944 /nfs/dbraw/zinc/09/59/44/656095944.db2.gz WDIKZLKCAWSYNF-UHFFFAOYSA-N 1 3 263.345 -0.215 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000237160270 656116137 /nfs/dbraw/zinc/11/61/37/656116137.db2.gz YCZKRIVMQSJNHW-HIFPTAJRSA-N 1 3 296.415 -0.217 20 0 CBADHO CN1CCC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250592154 656122109 /nfs/dbraw/zinc/12/21/09/656122109.db2.gz HRGRKXWFLSXUIL-NEPJUHHUSA-N 1 3 275.418 0.000 20 0 CBADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCOCC1 ZINC000261667596 656125258 /nfs/dbraw/zinc/12/52/58/656125258.db2.gz ZPOSBZRYIQIZNA-UHFFFAOYSA-N 1 3 267.373 -0.079 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH3+])CCCCC1 ZINC000262109557 656128771 /nfs/dbraw/zinc/12/87/71/656128771.db2.gz MOAZSPYOZPBJHM-LBPRGKRZSA-N 1 3 284.404 -0.136 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000419101414 656167050 /nfs/dbraw/zinc/16/70/50/656167050.db2.gz KBJLTJQLGNVGQQ-HNNXBMFYSA-N 1 3 294.399 -0.449 20 0 CBADHO CCC[NH+]1CCC(NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702420314 656180536 /nfs/dbraw/zinc/18/05/36/656180536.db2.gz LUHZWZHYICBALP-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000702416968 656180555 /nfs/dbraw/zinc/18/05/55/656180555.db2.gz JXSRDILIHBXLAI-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702422109 656180630 /nfs/dbraw/zinc/18/06/30/656180630.db2.gz RGAOMHFYXXRHKQ-NEPJUHHUSA-N 1 3 256.394 -0.278 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000702415515 656180878 /nfs/dbraw/zinc/18/08/78/656180878.db2.gz BMSPCKFIGOBGAS-FRRDWIJNSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000702415515 656180881 /nfs/dbraw/zinc/18/08/81/656180881.db2.gz BMSPCKFIGOBGAS-FRRDWIJNSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000705232222 656185006 /nfs/dbraw/zinc/18/50/06/656185006.db2.gz FVXWPLWYEIJNQF-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO CC(C)[NH+]1CCC(NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000705234222 656185225 /nfs/dbraw/zinc/18/52/25/656185225.db2.gz QHSMGENCIPKKPD-LBPRGKRZSA-N 1 3 256.394 -0.136 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715579882 656220027 /nfs/dbraw/zinc/22/00/27/656220027.db2.gz RPFXPEGQROWMEQ-WOPDTQHZSA-N 1 3 256.394 -0.136 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1=O ZINC000904384547 656325953 /nfs/dbraw/zinc/32/59/53/656325953.db2.gz MHTLKIKCFPVUFW-WDMOLILDSA-N 1 3 265.357 -0.077 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@H](O)C[C@@]1(O)CCOC1 ZINC000905108943 656339069 /nfs/dbraw/zinc/33/90/69/656339069.db2.gz AINKDISGBRAHAM-UPJWGTAASA-N 1 3 260.378 -0.181 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517093 656417699 /nfs/dbraw/zinc/41/76/99/656417699.db2.gz DEFOMPVJKWXMER-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517093 656417709 /nfs/dbraw/zinc/41/77/09/656417709.db2.gz DEFOMPVJKWXMER-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614400 656446801 /nfs/dbraw/zinc/44/68/01/656446801.db2.gz NCBVPEOCHISPKC-WDEREUQCSA-N 1 3 282.388 -0.750 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614400 656446808 /nfs/dbraw/zinc/44/68/08/656446808.db2.gz NCBVPEOCHISPKC-WDEREUQCSA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000996712644 656454436 /nfs/dbraw/zinc/45/44/36/656454436.db2.gz RDQVUSAPUZKHSU-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997039315 656464501 /nfs/dbraw/zinc/46/45/01/656464501.db2.gz BSCQHPOKTTVBQD-LBPRGKRZSA-N 1 3 291.355 -0.579 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998724017 656572854 /nfs/dbraw/zinc/57/28/54/656572854.db2.gz UAOCSDXPIWJZLT-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999301884 656621667 /nfs/dbraw/zinc/62/16/67/656621667.db2.gz DMYZFHSLBGZDTH-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999301884 656621674 /nfs/dbraw/zinc/62/16/74/656621674.db2.gz DMYZFHSLBGZDTH-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999350076 656625070 /nfs/dbraw/zinc/62/50/70/656625070.db2.gz WQMRBMZRQSBLJP-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000999362659 656625357 /nfs/dbraw/zinc/62/53/57/656625357.db2.gz CMCAJNXFYIGMAK-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372811 656626013 /nfs/dbraw/zinc/62/60/13/656626013.db2.gz PEHVALVXGDLJEN-AAEUAGOBSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999350074 656626539 /nfs/dbraw/zinc/62/65/39/656626539.db2.gz WQMRBMZRQSBLJP-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(N)=O ZINC000999834768 656655002 /nfs/dbraw/zinc/65/50/02/656655002.db2.gz VXBZSUDQBLUMEK-WXRRBKDZSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999876490 656662863 /nfs/dbraw/zinc/66/28/63/656662863.db2.gz MGPKHPYLUJXERH-BPCQOVAHSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)c1ccnn1CC[NH+](C)C ZINC000908201812 656665179 /nfs/dbraw/zinc/66/51/79/656665179.db2.gz RYEVLNDKLJVAEY-NSHDSACASA-N 1 3 283.376 -0.903 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908201809 656665898 /nfs/dbraw/zinc/66/58/98/656665898.db2.gz RWRUREDVLREUMT-GFCCVEGCSA-N 1 3 285.388 -0.864 20 0 CBADHO O=C(N[C@@H](CO)CN1CCCC1)C12CC[NH+](CC1)C2 ZINC000908202305 656667371 /nfs/dbraw/zinc/66/73/71/656667371.db2.gz BJKMPCLXWIJVBA-GFCCVEGCSA-N 1 3 267.373 -0.345 20 0 CBADHO C[NH+]1CCC(C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC001000081261 656687024 /nfs/dbraw/zinc/68/70/24/656687024.db2.gz LNQVEHCLXOTHFB-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000192521 656699400 /nfs/dbraw/zinc/69/94/00/656699400.db2.gz MQTAMDZHEFJYFT-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000196801 656700476 /nfs/dbraw/zinc/70/04/76/656700476.db2.gz GRUJKRSSJFVVLA-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703010 656760013 /nfs/dbraw/zinc/76/00/13/656760013.db2.gz SVAGAEUNBZCGQF-VXGBXAGGSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911283043 657010158 /nfs/dbraw/zinc/01/01/58/657010158.db2.gz VCBPBFKNAWEIBF-UHFFFAOYSA-N 1 3 270.377 -0.830 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911296705 657014033 /nfs/dbraw/zinc/01/40/33/657014033.db2.gz ZUOSUPCKPXDNNP-NSHDSACASA-N 1 3 284.404 -0.455 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000911324527 657020283 /nfs/dbraw/zinc/02/02/83/657020283.db2.gz DZOXABUYEKXTIG-RYUDHWBXSA-N 1 3 294.399 -0.273 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336755 657023140 /nfs/dbraw/zinc/02/31/40/657023140.db2.gz MTJMPXGYUHQMKD-IJLUTSLNSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911337339 657023184 /nfs/dbraw/zinc/02/31/84/657023184.db2.gz RCBILZITSGNKSP-FVCCEPFGSA-N 1 3 294.399 -0.404 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911367498 657027976 /nfs/dbraw/zinc/02/79/76/657027976.db2.gz PXLQGZLGSBSWHP-VXGBXAGGSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000911365169 657028021 /nfs/dbraw/zinc/02/80/21/657028021.db2.gz CANPTHFIWRRIOM-IJLUTSLNSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000911502375 657057497 /nfs/dbraw/zinc/05/74/97/657057497.db2.gz GDTCDPKMCJOIBK-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504533 657058709 /nfs/dbraw/zinc/05/87/09/657058709.db2.gz KSMOKGFXHMVBML-JTQLQIEISA-N 1 3 268.361 -0.806 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505584 657059315 /nfs/dbraw/zinc/05/93/15/657059315.db2.gz DYTNKWKPMYIYDX-UHFFFAOYSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528546 657067278 /nfs/dbraw/zinc/06/72/78/657067278.db2.gz PTDKFHIPXHUWCR-LBPRGKRZSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527636 657067554 /nfs/dbraw/zinc/06/75/54/657067554.db2.gz JAPMLHOFCCXDSC-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911529675 657068707 /nfs/dbraw/zinc/06/87/07/657068707.db2.gz FNRVJHDQGBVXQH-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537542 657071380 /nfs/dbraw/zinc/07/13/80/657071380.db2.gz IONRERWAQIOXBV-YNEHKIRRSA-N 1 3 296.415 -0.206 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911667688 657100320 /nfs/dbraw/zinc/10/03/20/657100320.db2.gz QMGUGEDWISWNGF-STQMWFEESA-N 1 3 292.383 -0.285 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CNCCN1C ZINC000911684275 657103576 /nfs/dbraw/zinc/10/35/76/657103576.db2.gz MPDAFIXGMKTJPA-QJPTWQEYSA-N 1 3 254.378 -0.382 20 0 CBADHO C[C@H](NC(=O)[C@H]1CNCCN1C)[C@@H]1CCC[NH2+]C1 ZINC000911718072 657113858 /nfs/dbraw/zinc/11/38/58/657113858.db2.gz HUCYIFITJXYIQZ-QJPTWQEYSA-N 1 3 254.378 -0.606 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H](C)N1 ZINC000911793918 657131714 /nfs/dbraw/zinc/13/17/14/657131714.db2.gz DUISPJIUAFNCRY-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819758 657140380 /nfs/dbraw/zinc/14/03/80/657140380.db2.gz PZNLRPRJHCPMIB-OLZOCXBDSA-N 1 3 268.405 -0.086 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912453924 657266475 /nfs/dbraw/zinc/26/64/75/657266475.db2.gz KRQDHJHUVLRFCF-UHFFFAOYSA-N 1 3 268.405 -0.500 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912453924 657266483 /nfs/dbraw/zinc/26/64/83/657266483.db2.gz KRQDHJHUVLRFCF-UHFFFAOYSA-N 1 3 268.405 -0.500 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018629022 657828222 /nfs/dbraw/zinc/82/82/22/657828222.db2.gz XMOJCXGVLXEDRB-STQMWFEESA-N 1 3 294.399 -0.497 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)[NH+](C)C ZINC001019000904 657857655 /nfs/dbraw/zinc/85/76/55/657857655.db2.gz XBDVFRLONCOPFP-JQWIXIFHSA-N 1 3 270.377 -0.752 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001019034742 657858852 /nfs/dbraw/zinc/85/88/52/657858852.db2.gz NCVNEOCIKBBMTI-YNEHKIRRSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001019033384 657859416 /nfs/dbraw/zinc/85/94/16/657859416.db2.gz LVSQURNTYUWZGA-QJPTWQEYSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001019088165 657862520 /nfs/dbraw/zinc/86/25/20/657862520.db2.gz LXVNPAAYCFEPLO-RYUDHWBXSA-N 1 3 294.399 -0.321 20 0 CBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019169975 657868327 /nfs/dbraw/zinc/86/83/27/657868327.db2.gz SXJUKSJWEBWJKN-SBEAFCBVSA-N 1 3 295.383 -0.968 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019274846 657878794 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C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001019774856 657937653 /nfs/dbraw/zinc/93/76/53/657937653.db2.gz LHZNRTFRYKGYSU-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019775865 657939643 /nfs/dbraw/zinc/93/96/43/657939643.db2.gz KGORUHYYGBZZOO-NWDGAFQWSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020589139 658075767 /nfs/dbraw/zinc/07/57/67/658075767.db2.gz XTMUOYFIAFKVPT-FDYHWXHSSA-N 1 3 294.399 -0.547 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020589138 658077332 /nfs/dbraw/zinc/07/73/32/658077332.db2.gz XTMUOYFIAFKVPT-CYDGBPFRSA-N 1 3 294.399 -0.547 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302573 658196921 /nfs/dbraw/zinc/19/69/21/658196921.db2.gz CPBMKXBIKWDZKV-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@H](O)CN1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322373 658212396 /nfs/dbraw/zinc/21/23/96/658212396.db2.gz KRGJGRANZFEFDV-HZSPNIEDSA-N 1 3 283.416 -0.248 20 0 CBADHO CCOC[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923347193 658221304 /nfs/dbraw/zinc/22/13/04/658221304.db2.gz ZORDHYROHYQCIK-STQMWFEESA-N 1 3 287.404 -0.297 20 0 CBADHO CC(=O)N[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386231 658248401 /nfs/dbraw/zinc/24/84/01/658248401.db2.gz LQBZEYJJHHFNBD-NWDGAFQWSA-N 1 3 253.346 -0.425 20 0 CBADHO CC(=O)N[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386228 658248514 /nfs/dbraw/zinc/24/85/14/658248514.db2.gz LQBZEYJJHHFNBD-NEPJUHHUSA-N 1 3 253.346 -0.425 20 0 CBADHO CN(C[C@H]1CC2(C[NH2+]C2)CO1)C[C@H]1COCCO1 ZINC000923391748 658254835 /nfs/dbraw/zinc/25/48/35/658254835.db2.gz POYITMNTFPHIJB-NEPJUHHUSA-N 1 3 256.346 -0.288 20 0 CBADHO CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@H]1COCCO1 ZINC000923391752 658255531 /nfs/dbraw/zinc/25/55/31/658255531.db2.gz POYITMNTFPHIJB-RYUDHWBXSA-N 1 3 256.346 -0.288 20 0 CBADHO CCc1nc([C@@H](C)N2CCNCC[NH2+]CC2)n[nH]1 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[NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)N1CCNCC1 ZINC000923578244 658338084 /nfs/dbraw/zinc/33/80/84/658338084.db2.gz YBHQMLTXBUCWMB-YOGCLGLASA-N 1 3 288.417 -0.519 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000923596817 658345837 /nfs/dbraw/zinc/34/58/37/658345837.db2.gz AJNJXSGCKMBFCI-LLVKDONJSA-N 1 3 273.402 -0.152 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C2CNC2)C1 ZINC000923630363 658364517 /nfs/dbraw/zinc/36/45/17/658364517.db2.gz XCWIYMLFLSZXKK-CMPLNLGQSA-N 1 3 273.402 -0.296 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C2CNC2)C1 ZINC000923630363 658364532 /nfs/dbraw/zinc/36/45/32/658364532.db2.gz XCWIYMLFLSZXKK-CMPLNLGQSA-N 1 3 273.402 -0.296 20 0 CBADHO C[C@H]1CC2(CN1S(=O)(=O)C1CNC1)CC[NH2+]CC2 ZINC000923650198 658376903 /nfs/dbraw/zinc/37/69/03/658376903.db2.gz JOXIJDUGKFBCLJ-JTQLQIEISA-N 1 3 273.402 -0.248 20 0 CBADHO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)N1CCNCC1 ZINC000923659146 658382527 /nfs/dbraw/zinc/38/25/27/658382527.db2.gz GERYQQZNWRAUSS-JTQLQIEISA-N 1 3 274.390 -0.989 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923738100 658425087 /nfs/dbraw/zinc/42/50/87/658425087.db2.gz FKKMPHVAXQJQBP-MNOVXSKESA-N 1 3 263.407 -0.015 20 0 CBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@@H]1C(F)(F)F ZINC000923670173 658391181 /nfs/dbraw/zinc/39/11/81/658391181.db2.gz IHMOJSNCSUMUAM-SVRRBLITSA-N 1 3 287.307 -0.643 20 0 CBADHO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CNC1 ZINC000923669639 658393019 /nfs/dbraw/zinc/39/30/19/658393019.db2.gz ATRMDNQELDCCPG-JTQLQIEISA-N 1 3 289.401 -0.964 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485677 658606001 /nfs/dbraw/zinc/60/60/01/658606001.db2.gz MIPWFKBODKXKSM-CMPLNLGQSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485677 658606018 /nfs/dbraw/zinc/60/60/18/658606018.db2.gz MIPWFKBODKXKSM-CMPLNLGQSA-N 1 3 280.372 -0.047 20 0 CBADHO CC[N@H+](CCN1C(=O)N[C@H](CN(C)C)C1=O)C1CC1 ZINC000924575547 658616053 /nfs/dbraw/zinc/61/60/53/658616053.db2.gz XHKBYLSZJLECPW-LLVKDONJSA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@@H+](CCN1C(=O)N[C@H](CN(C)C)C1=O)C1CC1 ZINC000924575547 658616062 /nfs/dbraw/zinc/61/60/62/658616062.db2.gz XHKBYLSZJLECPW-LLVKDONJSA-N 1 3 268.361 -0.047 20 0 CBADHO CN1C[C@@H](O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980500 658691246 /nfs/dbraw/zinc/69/12/46/658691246.db2.gz GJTSSOZMVTUBFN-STQMWFEESA-N 1 3 269.389 -0.101 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CCC[N@@H+]2C)C1=O ZINC000925288043 658815593 /nfs/dbraw/zinc/81/55/93/658815593.db2.gz BGUPODHBWRYEON-UWVGGRQHSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925288043 658815598 /nfs/dbraw/zinc/81/55/98/658815598.db2.gz BGUPODHBWRYEON-UWVGGRQHSA-N 1 3 254.334 -0.437 20 0 CBADHO CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925300525 658820242 /nfs/dbraw/zinc/82/02/42/658820242.db2.gz WLVMMYHFEMBXSL-MNOVXSKESA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925300525 658820249 /nfs/dbraw/zinc/82/02/49/658820249.db2.gz WLVMMYHFEMBXSL-MNOVXSKESA-N 1 3 268.361 -0.047 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000961766828 658833011 /nfs/dbraw/zinc/83/30/11/658833011.db2.gz VUBBHGXDCQNENO-RMRHIDDWSA-N 1 3 281.400 -0.243 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000961766828 658833016 /nfs/dbraw/zinc/83/30/16/658833016.db2.gz VUBBHGXDCQNENO-RMRHIDDWSA-N 1 3 281.400 -0.243 20 0 CBADHO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN2C)CC[N@H+](C)C1 ZINC000925432460 658851867 /nfs/dbraw/zinc/85/18/67/658851867.db2.gz SPLAIBYBIIFOQA-RYUDHWBXSA-N 1 3 298.387 -0.563 20 0 CBADHO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN2C)CC[N@@H+](C)C1 ZINC000925432460 658851872 /nfs/dbraw/zinc/85/18/72/658851872.db2.gz SPLAIBYBIIFOQA-RYUDHWBXSA-N 1 3 298.387 -0.563 20 0 CBADHO CCN1CCN([C@H](C)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925546786 658858112 /nfs/dbraw/zinc/85/81/12/658858112.db2.gz KPTLNDBEKLUQCN-ZIAGYGMSSA-N 1 3 270.421 -0.410 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925722106 658867668 /nfs/dbraw/zinc/86/76/68/658867668.db2.gz GPKYVNPHNAUNSQ-GXYBRJDSSA-N 1 3 292.427 -0.088 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925722111 658867965 /nfs/dbraw/zinc/86/79/65/658867965.db2.gz GPKYVNPHNAUNSQ-PMKSJIGOSA-N 1 3 292.427 -0.088 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925722114 658868116 /nfs/dbraw/zinc/86/81/16/658868116.db2.gz GPKYVNPHNAUNSQ-UQGHGMQMSA-N 1 3 292.427 -0.088 20 0 CBADHO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000969595263 659008118 /nfs/dbraw/zinc/00/81/18/659008118.db2.gz TYDZYZJKZFYOFZ-QJPTWQEYSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970178630 659037349 /nfs/dbraw/zinc/03/73/49/659037349.db2.gz VHBVBNVCBNHJPR-WCQYABFASA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970716307 659068144 /nfs/dbraw/zinc/06/81/44/659068144.db2.gz BMQBVXGUWXCREH-CYBMUJFWSA-N 1 3 292.387 -0.436 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970719643 659069545 /nfs/dbraw/zinc/06/95/45/659069545.db2.gz KGORUHYYGBZZOO-NEPJUHHUSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCCO)C1 ZINC000970879107 659074032 /nfs/dbraw/zinc/07/40/32/659074032.db2.gz RQQVOBRXLXOSHF-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCCO)C1 ZINC000970879107 659074036 /nfs/dbraw/zinc/07/40/36/659074036.db2.gz RQQVOBRXLXOSHF-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000972335078 659116709 /nfs/dbraw/zinc/11/67/09/659116709.db2.gz MTOAIEXQHGJUBR-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000972335078 659116714 /nfs/dbraw/zinc/11/67/14/659116714.db2.gz MTOAIEXQHGJUBR-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404863 659269318 /nfs/dbraw/zinc/26/93/18/659269318.db2.gz DNCYDZHMDZXTPD-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404863 659269325 /nfs/dbraw/zinc/26/93/25/659269325.db2.gz DNCYDZHMDZXTPD-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404849 659272008 /nfs/dbraw/zinc/27/20/08/659272008.db2.gz DNCYDZHMDZXTPD-CHWSQXEVSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404849 659272017 /nfs/dbraw/zinc/27/20/17/659272017.db2.gz DNCYDZHMDZXTPD-CHWSQXEVSA-N 1 3 269.389 -0.004 20 0 CBADHO COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930713937 659328075 /nfs/dbraw/zinc/32/80/75/659328075.db2.gz QWAHWUBZFDSDGP-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO 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UNGUNFMIBJSGNH-NEPJUHHUSA-N 1 3 255.362 -0.537 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033660061 799778570 /nfs/dbraw/zinc/77/85/70/799778570.db2.gz HCQDLXUZGJEKII-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033660061 799778573 /nfs/dbraw/zinc/77/85/73/799778573.db2.gz HCQDLXUZGJEKII-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(CCO)C1 ZINC001034014823 799808387 /nfs/dbraw/zinc/80/83/87/799808387.db2.gz DRPRWWRVNXOEHD-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001034971881 799863239 /nfs/dbraw/zinc/86/32/39/799863239.db2.gz XVPLHOFMRATVDP-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035126243 799870709 /nfs/dbraw/zinc/87/07/09/799870709.db2.gz WBETXARWMODFDP-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCO ZINC001036194853 799983132 /nfs/dbraw/zinc/98/31/32/799983132.db2.gz SICKTCAPXPONIB-JQWIXIFHSA-N 1 3 266.345 -0.229 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036829634 800010450 /nfs/dbraw/zinc/01/04/50/800010450.db2.gz ITZMUMKAJVXJKA-YPMHNXCESA-N 1 3 278.356 -0.133 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036829634 800010454 /nfs/dbraw/zinc/01/04/54/800010454.db2.gz ITZMUMKAJVXJKA-YPMHNXCESA-N 1 3 278.356 -0.133 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041142116 801369706 /nfs/dbraw/zinc/36/97/06/801369706.db2.gz UCYQJTSHUDPRFW-UKRRQHHQSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041142116 801369713 /nfs/dbraw/zinc/36/97/13/801369713.db2.gz UCYQJTSHUDPRFW-UKRRQHHQSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001044629686 801660855 /nfs/dbraw/zinc/66/08/55/801660855.db2.gz ONYPWUDOSUYZFF-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753738 801667388 /nfs/dbraw/zinc/66/73/88/801667388.db2.gz FHEREYFOAJOGAA-QWRGUYRKSA-N 1 3 266.345 -0.086 20 0 CBADHO C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN(CCO)C1 ZINC001046317043 801753892 /nfs/dbraw/zinc/75/38/92/801753892.db2.gz DSMPDBBVEWFALZ-UKRRQHHQSA-N 1 3 281.400 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046838125 801794790 /nfs/dbraw/zinc/79/47/90/801794790.db2.gz FITKYEZFIWRJBD-DGCLKSJQSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046838125 801794796 /nfs/dbraw/zinc/79/47/96/801794796.db2.gz FITKYEZFIWRJBD-DGCLKSJQSA-N 1 3 255.362 -0.489 20 0 CBADHO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001047429683 801869731 /nfs/dbraw/zinc/86/97/31/801869731.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 1 3 299.415 -0.379 20 0 CBADHO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001047429683 801869736 /nfs/dbraw/zinc/86/97/36/801869736.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 1 3 299.415 -0.379 20 0 CBADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047429683 801869739 /nfs/dbraw/zinc/86/97/39/801869739.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 1 3 299.415 -0.379 20 0 CBADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047429683 801869744 /nfs/dbraw/zinc/86/97/44/801869744.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 1 3 299.415 -0.379 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047627680 801915321 /nfs/dbraw/zinc/91/53/21/801915321.db2.gz TZLLPRRCZPHQEN-AVGNSLFASA-N 1 3 287.379 -0.199 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047627680 801915326 /nfs/dbraw/zinc/91/53/26/801915326.db2.gz TZLLPRRCZPHQEN-AVGNSLFASA-N 1 3 287.379 -0.199 20 0 CBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049083264 801998654 /nfs/dbraw/zinc/99/86/54/801998654.db2.gz WGZOYAVMGAWQPR-PHIMTYICSA-N 1 3 264.329 -0.665 20 0 CBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049083264 801998661 /nfs/dbraw/zinc/99/86/61/801998661.db2.gz WGZOYAVMGAWQPR-PHIMTYICSA-N 1 3 264.329 -0.665 20 0 CBADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(N)=O ZINC001054853314 802374844 /nfs/dbraw/zinc/37/48/44/802374844.db2.gz FZOLIVDNKOLGLW-NWDGAFQWSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CNCCN1C ZINC001122018550 813105181 /nfs/dbraw/zinc/10/51/81/813105181.db2.gz POLQDGQRLWRRRJ-GARJFASQSA-N 1 3 258.341 -0.952 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122101012 813118338 /nfs/dbraw/zinc/11/83/38/813118338.db2.gz UXPWGYWYTIVYIT-VXGBXAGGSA-N 1 3 254.378 -0.380 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001122133720 813121322 /nfs/dbraw/zinc/12/13/22/813121322.db2.gz GDMLQMPSSUJECO-JGVFFNPUSA-N 1 3 265.304 -0.554 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCCCN1C ZINC001122368090 813154500 /nfs/dbraw/zinc/15/45/00/813154500.db2.gz MGUHCRIFZITPMG-WOPDTQHZSA-N 1 3 257.378 -0.197 20 0 CBADHO O=C(N1CCN2CC[C@H]1C2)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122511525 813172278 /nfs/dbraw/zinc/17/22/78/813172278.db2.gz SYPJSHBPVJWENZ-DYEKYZERSA-N 1 3 265.357 -0.471 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001133294365 814238248 /nfs/dbraw/zinc/23/82/48/814238248.db2.gz FTABCJYDRBJALF-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001133291755 814238294 /nfs/dbraw/zinc/23/82/94/814238294.db2.gz YOKPMYDDCBFOHF-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291270 814238458 /nfs/dbraw/zinc/23/84/58/814238458.db2.gz NODZWHGIHIWGNN-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N1CCCC1)[NH+](C)C ZINC001133415533 814249791 /nfs/dbraw/zinc/24/97/91/814249791.db2.gz BYLZAUUKGVRBOU-CQSZACIVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001133834463 814305083 /nfs/dbraw/zinc/30/50/83/814305083.db2.gz YJVPXHHJPCABKU-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001133834463 814305092 /nfs/dbraw/zinc/30/50/92/814305092.db2.gz YJVPXHHJPCABKU-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N(C)C)C1 ZINC001133845428 814306016 /nfs/dbraw/zinc/30/60/16/814306016.db2.gz FSCXKZSTQHXWON-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N(C)C)C1 ZINC001133845428 814306025 /nfs/dbraw/zinc/30/60/25/814306025.db2.gz FSCXKZSTQHXWON-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO N=c1cc(C[NH3+])ncn1C(=O)C1CCCS1(=O)=O ZINC001143481273 814770699 /nfs/dbraw/zinc/77/06/99/814770699.db2.gz TYOSYBCKKQRGLA-MRVPVSSYSA-N 1 3 270.314 -0.961 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001148360438 814939080 /nfs/dbraw/zinc/93/90/80/814939080.db2.gz VAGFBPBHCCGYHR-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001148571173 814950666 /nfs/dbraw/zinc/95/06/66/814950666.db2.gz YXFTWBHNAFURNZ-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001148571173 814950670 /nfs/dbraw/zinc/95/06/70/814950670.db2.gz YXFTWBHNAFURNZ-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148570796 814951620 /nfs/dbraw/zinc/95/16/20/814951620.db2.gz MJWUDRAEDZCMPQ-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148570796 814951624 /nfs/dbraw/zinc/95/16/24/814951624.db2.gz MJWUDRAEDZCMPQ-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322796800 803939676 /nfs/dbraw/zinc/93/96/76/803939676.db2.gz QTWXTIMMWCMEQP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC001325696181 804306139 /nfs/dbraw/zinc/30/61/39/804306139.db2.gz QTTAMXWYUJMFQM-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049036 815051438 /nfs/dbraw/zinc/05/14/38/815051438.db2.gz HVGQUMNFQQEQDF-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049036 815051445 /nfs/dbraw/zinc/05/14/45/815051445.db2.gz HVGQUMNFQQEQDF-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048353 815052581 /nfs/dbraw/zinc/05/25/81/815052581.db2.gz AGQFYFPZKLIPHJ-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048353 815052587 /nfs/dbraw/zinc/05/25/87/815052587.db2.gz AGQFYFPZKLIPHJ-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066779 815058069 /nfs/dbraw/zinc/05/80/69/815058069.db2.gz YPRWQHWEYMQNCY-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066779 815058074 /nfs/dbraw/zinc/05/80/74/815058074.db2.gz YPRWQHWEYMQNCY-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)N(C)C ZINC001072851154 805341574 /nfs/dbraw/zinc/34/15/74/805341574.db2.gz LULPSSQHSNTHMR-GFCCVEGCSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)N(C)C ZINC001072851154 805341583 /nfs/dbraw/zinc/34/15/83/805341583.db2.gz LULPSSQHSNTHMR-GFCCVEGCSA-N 1 3 269.389 -0.147 20 0 CBADHO O=C(NC[C@H]1CN(CCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861536 805422411 /nfs/dbraw/zinc/42/24/11/805422411.db2.gz DZWIOTNMFDCVKJ-ZDUSSCGKSA-N 1 3 297.399 -0.718 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074562681 805458109 /nfs/dbraw/zinc/45/81/09/805458109.db2.gz DFAMWDWDTHICCU-GARJFASQSA-N 1 3 268.361 -0.855 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074695288 805465402 /nfs/dbraw/zinc/46/54/02/805465402.db2.gz RXOXBXSLZJFMTJ-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074695288 805465410 /nfs/dbraw/zinc/46/54/10/805465410.db2.gz RXOXBXSLZJFMTJ-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001074918325 805477283 /nfs/dbraw/zinc/47/72/83/805477283.db2.gz DYDFTQOYMOXDAZ-SCVCMEIPSA-N 1 3 266.345 -0.088 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C)C(N)=O ZINC001075042031 805481342 /nfs/dbraw/zinc/48/13/42/805481342.db2.gz CCQDFZRKRGFAKX-SRVKXCTJSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC001075110970 805483461 /nfs/dbraw/zinc/48/34/61/805483461.db2.gz UECITPXXMYJDJK-RWMBFGLXSA-N 1 3 294.399 -0.450 20 0 CBADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075798668 805534363 /nfs/dbraw/zinc/53/43/63/805534363.db2.gz JZAIBZOJJSOQIG-SOUVJXGZSA-N 1 3 293.411 -0.147 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076241485 805562405 /nfs/dbraw/zinc/56/24/05/805562405.db2.gz QHJLMTKXFOKNEZ-HZSPNIEDSA-N 1 3 281.400 -0.004 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076241485 805562410 /nfs/dbraw/zinc/56/24/10/805562410.db2.gz QHJLMTKXFOKNEZ-HZSPNIEDSA-N 1 3 281.400 -0.004 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NCCN[C@@H]1CCNC1=O ZINC001152222821 815111559 /nfs/dbraw/zinc/11/15/59/815111559.db2.gz CHUICHCPELLUQY-GFCCVEGCSA-N 1 3 282.388 -0.543 20 0 CBADHO CNC(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236613 815112560 /nfs/dbraw/zinc/11/25/60/815112560.db2.gz DKCQBVYZONUFLN-UHFFFAOYSA-N 1 3 292.383 -0.186 20 0 CBADHO CNC(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393403 815119428 /nfs/dbraw/zinc/11/94/28/815119428.db2.gz LOSFGDRHPDDCHP-UHFFFAOYSA-N 1 3 292.383 -0.186 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001152452047 815123235 /nfs/dbraw/zinc/12/32/35/815123235.db2.gz QUZQOYLQATYMJR-QWHCGFSZSA-N 1 3 287.404 -0.426 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001152457707 815124133 /nfs/dbraw/zinc/12/41/33/815124133.db2.gz HJEAQAGHTKOJCG-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001152458021 815124490 /nfs/dbraw/zinc/12/44/90/815124490.db2.gz KTYIVQPKKDLNTB-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471555 815124501 /nfs/dbraw/zinc/12/45/01/815124501.db2.gz MCNKPEDXJRRQEW-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480591 815124596 /nfs/dbraw/zinc/12/45/96/815124596.db2.gz XMXVZTKZUICBIC-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc2c1CNCC2 ZINC001155482872 815286580 /nfs/dbraw/zinc/28/65/80/815286580.db2.gz JEFUKUQFXBJWFM-NQBHXWOUSA-N 1 3 275.356 -0.231 20 0 CBADHO c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc2c1CNCC2 ZINC001155542067 815291467 /nfs/dbraw/zinc/29/14/67/815291467.db2.gz ZGPVLKJKVRJSLP-ZWNOBZJWSA-N 1 3 261.329 -0.335 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3c(nn2)CCNC3)N1 ZINC001155574245 815296565 /nfs/dbraw/zinc/29/65/65/815296565.db2.gz FVTYRWHIKSKYEQ-GWCFXTLKSA-N 1 3 274.328 -0.888 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccn2ncnc2c1 ZINC001155590417 815298531 /nfs/dbraw/zinc/29/85/31/815298531.db2.gz SBIAUFHJZXYFBH-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155789197 815311115 /nfs/dbraw/zinc/31/11/15/815311115.db2.gz BIBGRSSJIKNMQV-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001155790305 815311185 /nfs/dbraw/zinc/31/11/85/815311185.db2.gz JRDKIVNLDDRKPN-LLVKDONJSA-N 1 3 291.417 -0.779 20 0 CBADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791018 815313460 /nfs/dbraw/zinc/31/34/60/815313460.db2.gz QSBPTHUPVLSGJY-CYBMUJFWSA-N 1 3 294.403 -0.012 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086278508 810255158 /nfs/dbraw/zinc/25/51/58/810255158.db2.gz ZDHLEDKXORRMJG-XQQFMLRXSA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087908504 810312716 /nfs/dbraw/zinc/31/27/16/810312716.db2.gz DZVOXPFKEFEIGA-RDBSUJKOSA-N 1 3 281.400 -0.147 20 0 CBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087908504 810312725 /nfs/dbraw/zinc/31/27/25/810312725.db2.gz DZVOXPFKEFEIGA-RDBSUJKOSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCO ZINC001088571774 810346312 /nfs/dbraw/zinc/34/63/12/810346312.db2.gz MXPSQTVORMSBBP-XBFCOCLRSA-N 1 3 281.400 -0.101 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536530 810517353 /nfs/dbraw/zinc/51/73/53/810517353.db2.gz FVRPQQCQOFIKMR-KBPBESRZSA-N 1 3 299.415 -0.474 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001090539502 810521025 /nfs/dbraw/zinc/52/10/25/810521025.db2.gz YKLARNPZTKUAKN-KBPBESRZSA-N 1 3 299.415 -0.738 20 0 CBADHO CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730858 810558470 /nfs/dbraw/zinc/55/84/70/810558470.db2.gz OXMZOJMCZWMVHX-NEPJUHHUSA-N 1 3 267.373 -0.347 20 0 CBADHO CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730866 810558989 /nfs/dbraw/zinc/55/89/89/810558989.db2.gz OXMZOJMCZWMVHX-VXGBXAGGSA-N 1 3 267.373 -0.347 20 0 CBADHO O=C(N[C@@H]1CCN(CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090729917 810559365 /nfs/dbraw/zinc/55/93/65/810559365.db2.gz CFRIIQJDTDORSA-CHWSQXEVSA-N 1 3 299.390 -0.007 20 0 CBADHO CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730862 810560522 /nfs/dbraw/zinc/56/05/22/810560522.db2.gz OXMZOJMCZWMVHX-NWDGAFQWSA-N 1 3 267.373 -0.347 20 0 CBADHO CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730864 810560714 /nfs/dbraw/zinc/56/07/14/810560714.db2.gz OXMZOJMCZWMVHX-RYUDHWBXSA-N 1 3 267.373 -0.347 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099973614 810981766 /nfs/dbraw/zinc/98/17/66/810981766.db2.gz GGXNJOUVKHVCJF-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100041769 811001550 /nfs/dbraw/zinc/00/15/50/811001550.db2.gz NZAGXPXCCKCXSV-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100041769 811001545 /nfs/dbraw/zinc/00/15/45/811001545.db2.gz NZAGXPXCCKCXSV-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100042119 811004233 /nfs/dbraw/zinc/00/42/33/811004233.db2.gz UBATWEDIAYTSGO-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100042119 811004239 /nfs/dbraw/zinc/00/42/39/811004239.db2.gz UBATWEDIAYTSGO-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001100410697 811057151 /nfs/dbraw/zinc/05/71/51/811057151.db2.gz ITPHIHPJOXGWTJ-VOMCLLRMSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100678471 811071238 /nfs/dbraw/zinc/07/12/38/811071238.db2.gz MAWPCUJPWCTPFA-HIFPTAJRSA-N 1 3 269.389 -0.195 20 0 CBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001100683943 811073760 /nfs/dbraw/zinc/07/37/60/811073760.db2.gz ZIPXCGBXTMSNDK-ILDUYXDCSA-N 1 3 270.377 -0.704 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100900207 811085618 /nfs/dbraw/zinc/08/56/18/811085618.db2.gz VUGFYXZALYENKP-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)CCCC1 ZINC001157324185 815424335 /nfs/dbraw/zinc/42/43/35/815424335.db2.gz UPPNKSBFVRNNLQ-JTQLQIEISA-N 1 3 270.377 -0.382 20 0 CBADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320779 811153798 /nfs/dbraw/zinc/15/37/98/811153798.db2.gz SRPJTDHMJINISH-FRRDWIJNSA-N 1 3 298.431 -0.243 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)CC(F)C1 ZINC001157336323 815425348 /nfs/dbraw/zinc/42/53/48/815425348.db2.gz NAWWWGKWYFFOKG-XEVUQIKYSA-N 1 3 274.340 -0.824 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001106705198 811314764 /nfs/dbraw/zinc/31/47/64/811314764.db2.gz WHBWDLNRXCGATB-GMTAPVOTSA-N 1 3 293.371 -0.490 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106908393 811318650 /nfs/dbraw/zinc/31/86/50/811318650.db2.gz YKKVMASFTQASHG-FRRDWIJNSA-N 1 3 298.431 -0.114 20 0 CBADHO CN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157519286 815441452 /nfs/dbraw/zinc/44/14/52/815441452.db2.gz MKAAJINOTWZEHI-ZETCQYMHSA-N 1 3 251.252 -0.184 20 0 CBADHO N[C@H]1CN(C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)C[C@H]1F ZINC001157535952 815442534 /nfs/dbraw/zinc/44/25/34/815442534.db2.gz FUWJVVBVNYGXKQ-FYBVGQRMSA-N 1 3 256.281 -0.998 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[C@H]1F ZINC001157536459 815442822 /nfs/dbraw/zinc/44/28/22/815442822.db2.gz NHXDPUDJJAEUCS-XUTVFYLZSA-N 1 3 269.242 -0.108 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)C[C@H]1F ZINC001157537044 815444159 /nfs/dbraw/zinc/44/41/59/815444159.db2.gz TXXUNPPBVNHDQO-HNCHTBHHSA-N 1 3 271.336 -0.347 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(F)(C2CC2)C1 ZINC001157702640 815454018 /nfs/dbraw/zinc/45/40/18/815454018.db2.gz ARZMZPDZWDLEMJ-JTQLQIEISA-N 1 3 253.321 -0.244 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001157715888 815455942 /nfs/dbraw/zinc/45/59/42/815455942.db2.gz KMTKHMKHWDKONF-LDYMZIIASA-N 1 3 261.297 -0.834 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157728749 815456605 /nfs/dbraw/zinc/45/66/05/815456605.db2.gz AGZUFNRJLLOAEZ-AEJSXWLSSA-N 1 3 279.381 -0.816 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799331 815468203 /nfs/dbraw/zinc/46/82/03/815468203.db2.gz KOSAGVNLYQTLNY-UTLUCORTSA-N 1 3 257.334 -0.537 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810707 815469769 /nfs/dbraw/zinc/46/97/69/815469769.db2.gz QXACARKACQCVRT-WXHSDQCUSA-N 1 3 284.404 -0.184 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCC1 ZINC001114406957 811747019 /nfs/dbraw/zinc/74/70/19/811747019.db2.gz OBKAMQLHMQQRTE-GDNZZTSVSA-N 1 3 267.373 -0.491 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCC1 ZINC001114406957 811747025 /nfs/dbraw/zinc/74/70/25/811747025.db2.gz OBKAMQLHMQQRTE-GDNZZTSVSA-N 1 3 267.373 -0.491 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCC(=O)[C@H](F)C1 ZINC001157856503 815473496 /nfs/dbraw/zinc/47/34/96/815473496.db2.gz UXENWXPRESNHMF-ZJUUUORDSA-N 1 3 259.325 -0.028 20 0 CBADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157856975 815474829 /nfs/dbraw/zinc/47/48/29/815474829.db2.gz YKYBTEKRVCOGAD-MDZLAQPJSA-N 1 3 269.389 -0.067 20 0 CBADHO C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157856963 815474848 /nfs/dbraw/zinc/47/48/48/815474848.db2.gz YEJWMNJNSXPETI-AXFHLTTASA-N 1 3 275.418 -0.375 20 0 CBADHO C[C@]1(CO)CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001157901035 815478662 /nfs/dbraw/zinc/47/86/62/815478662.db2.gz VTHRQQNTHMPUMZ-JSGCOSHPSA-N 1 3 281.400 -0.194 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900877 815478793 /nfs/dbraw/zinc/47/87/93/815478793.db2.gz UGSPQJGGYXCQFB-IUCAKERBSA-N 1 3 297.371 -0.518 20 0 CBADHO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157914080 815481805 /nfs/dbraw/zinc/48/18/05/815481805.db2.gz GNQMBKPYGVJRMU-DLOVCJGASA-N 1 3 255.362 -0.315 20 0 CBADHO CN1CCN(C(=N)Nc2nccc(C(N)=O)n2)CC1 ZINC001157914857 815482173 /nfs/dbraw/zinc/48/21/73/815482173.db2.gz NKYOEPVKHNPISS-UHFFFAOYSA-N 1 3 263.305 -0.830 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)C1 ZINC001157969109 815492696 /nfs/dbraw/zinc/49/26/96/815492696.db2.gz LTEGSSFEPHAMNQ-HZSPNIEDSA-N 1 3 274.368 -0.151 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)C1 ZINC001157969109 815492700 /nfs/dbraw/zinc/49/27/00/815492700.db2.gz LTEGSSFEPHAMNQ-HZSPNIEDSA-N 1 3 274.368 -0.151 20 0 CBADHO [NH3+][C@@H]1CN[C@H](C(=O)N2CCNC[C@H]2c2ccccc2)C1 ZINC001157969110 815493468 /nfs/dbraw/zinc/49/34/68/815493468.db2.gz LTEGSSFEPHAMNQ-IHRRRGAJSA-N 1 3 274.368 -0.151 20 0 CBADHO N[C@@H]1C[NH2+][C@H](C(=O)N2CCNC[C@H]2c2ccccc2)C1 ZINC001157969110 815493471 /nfs/dbraw/zinc/49/34/71/815493471.db2.gz LTEGSSFEPHAMNQ-IHRRRGAJSA-N 1 3 274.368 -0.151 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)N2CCNC[C@H]2c2ccccc2)C1 ZINC001157969113 815493635 /nfs/dbraw/zinc/49/36/35/815493635.db2.gz LTEGSSFEPHAMNQ-RDBSUJKOSA-N 1 3 274.368 -0.151 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCNC[C@H]2c2ccccc2)C1 ZINC001157969113 815493638 /nfs/dbraw/zinc/49/36/38/815493638.db2.gz LTEGSSFEPHAMNQ-RDBSUJKOSA-N 1 3 274.368 -0.151 20 0 CBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H](N)CCC[NH3+] ZINC001158016680 815499328 /nfs/dbraw/zinc/49/93/28/815499328.db2.gz YWHCTWHDTMDHKZ-ZJUUUORDSA-N 1 3 261.366 -0.967 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114991990 812171602 /nfs/dbraw/zinc/17/16/02/812171602.db2.gz MXSHSJFAVULJCH-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114991990 812171613 /nfs/dbraw/zinc/17/16/13/812171613.db2.gz MXSHSJFAVULJCH-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001114998196 812172219 /nfs/dbraw/zinc/17/22/19/812172219.db2.gz PUFQEBSWJLUBPI-NMKXLXIOSA-N 1 3 269.389 -0.245 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114998196 812172227 /nfs/dbraw/zinc/17/22/27/812172227.db2.gz PUFQEBSWJLUBPI-NMKXLXIOSA-N 1 3 269.389 -0.245 20 0 CBADHO N[C@@H](C(=O)N1CCC2(COC2)C1)C1CC[NH2+]CC1 ZINC001158167977 815508031 /nfs/dbraw/zinc/50/80/31/815508031.db2.gz JJZPCYGSHFRTPA-LLVKDONJSA-N 1 3 253.346 -0.438 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115081845 812178656 /nfs/dbraw/zinc/17/86/56/812178656.db2.gz ZBYUXILHRNATCL-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115081845 812178662 /nfs/dbraw/zinc/17/86/62/812178662.db2.gz ZBYUXILHRNATCL-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001115304193 812191312 /nfs/dbraw/zinc/19/13/12/812191312.db2.gz PFAJCTCHGVEXND-NMKXLXIOSA-N 1 3 269.389 -0.246 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001115304193 812191320 /nfs/dbraw/zinc/19/13/20/812191320.db2.gz PFAJCTCHGVEXND-NMKXLXIOSA-N 1 3 269.389 -0.246 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(COC2)C1 ZINC001158167657 815508491 /nfs/dbraw/zinc/50/84/91/815508491.db2.gz IWVNGDMCACBERT-VIFPVBQESA-N 1 3 259.375 -0.746 20 0 CBADHO NC(C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC001158179342 815510323 /nfs/dbraw/zinc/51/03/23/815510323.db2.gz KMRVLSHYLJSOFR-PRJMDXOYSA-N 1 3 267.251 -0.677 20 0 CBADHO NC[C@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241777 815515899 /nfs/dbraw/zinc/51/58/99/815515899.db2.gz ZLDAMLNCWHWGKU-DTWKUNHWSA-N 1 3 294.321 -0.052 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158328258 815520350 /nfs/dbraw/zinc/52/03/50/815520350.db2.gz XJJHNOHRNSWERW-MMWGEVLESA-N 1 3 253.321 -0.388 20 0 CBADHO NCc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158259290 815517714 /nfs/dbraw/zinc/51/77/14/815517714.db2.gz PYDSEZQTDJRHNM-NSHDSACASA-N 1 3 276.388 -0.063 20 0 CBADHO O=C([C@H]1[NH2+]CC[C@H]1O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335274 815520693 /nfs/dbraw/zinc/52/06/93/815520693.db2.gz QAJKNYDPQCMHKL-YJNKXOJESA-N 1 3 287.363 -0.193 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158347334 815521611 /nfs/dbraw/zinc/52/16/11/815521611.db2.gz ILDDZVNAASHSOP-JTQLQIEISA-N 1 3 297.428 -0.335 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)CC2 ZINC001158349114 815522061 /nfs/dbraw/zinc/52/20/61/815522061.db2.gz WENBCGPHFIRDQO-HFAKWTLXSA-N 1 3 289.383 -0.133 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158414267 815526853 /nfs/dbraw/zinc/52/68/53/815526853.db2.gz FFIQJUOCQSIZSK-TUAOUCFPSA-N 1 3 263.345 -0.747 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[C@@H](C)[NH2+]C ZINC001117966548 812460254 /nfs/dbraw/zinc/46/02/54/812460254.db2.gz KBNTUPVERCNPFY-LLVKDONJSA-N 1 3 260.382 -0.402 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cnnn2C)CC[N@@H+]1C ZINC001158421037 815528216 /nfs/dbraw/zinc/52/82/16/815528216.db2.gz QSANWHUVISOCCH-DGCLKSJQSA-N 1 3 294.403 -0.249 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cnnn2C)CC[N@H+]1C ZINC001158421037 815528223 /nfs/dbraw/zinc/52/82/23/815528223.db2.gz QSANWHUVISOCCH-DGCLKSJQSA-N 1 3 294.403 -0.249 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)CC(F)F)CCO1 ZINC001118140320 812477782 /nfs/dbraw/zinc/47/77/82/812477782.db2.gz LXUXTIXOWAVYQA-RNJXMRFFSA-N 1 3 251.277 -0.457 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001118337354 812534083 /nfs/dbraw/zinc/53/40/83/812534083.db2.gz FBIXOPLJXBJCID-BFHYXJOUSA-N 1 3 299.415 -0.033 20 0 CBADHO CC(C)(C[NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118505285 812561395 /nfs/dbraw/zinc/56/13/95/812561395.db2.gz CLTQKAXUDPBPIJ-UHFFFAOYSA-N 1 3 253.306 -0.758 20 0 CBADHO COCCNCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118506264 812562167 /nfs/dbraw/zinc/56/21/67/812562167.db2.gz MNCFKEDYDBTHFO-CYBMUJFWSA-N 1 3 285.388 -0.408 20 0 CBADHO CC(C)([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118544648 812570858 /nfs/dbraw/zinc/57/08/58/812570858.db2.gz JALZAULOUSLKGK-UHFFFAOYSA-N 1 3 268.321 -0.823 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)c2c(CN)cnn2C)C[NH2+]1 ZINC001119243409 812731501 /nfs/dbraw/zinc/73/15/01/812731501.db2.gz RHLHGABZHKXWDA-PSASIEDQSA-N 1 3 251.334 -0.251 20 0 CBADHO CC(C)([NH3+])CCNC(=O)c1[nH]nc2c1CNCC2 ZINC001119372719 812771551 /nfs/dbraw/zinc/77/15/51/812771551.db2.gz TYTGAWVMRCNRKN-UHFFFAOYSA-N 1 3 251.334 -0.087 20 0 CBADHO O=S1(=O)CCNC[C@H]1CC[NH2+]C1CCNCC1 ZINC001119544340 812805149 /nfs/dbraw/zinc/80/51/49/812805149.db2.gz MAHMUSIBYKHLPM-LLVKDONJSA-N 1 3 261.391 -0.895 20 0 CBADHO COCc1n[nH]c2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159090309 815559093 /nfs/dbraw/zinc/55/90/93/815559093.db2.gz CFNCBTPSACQIJT-JTQLQIEISA-N 1 3 291.355 -0.793 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(N)=O ZINC001159156015 815561067 /nfs/dbraw/zinc/56/10/67/815561067.db2.gz ZYBMLSXJONIGTQ-SNVBAGLBSA-N 1 3 276.356 -0.753 20 0 CBADHO COCc1n[nH]c2c1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159090566 815558361 /nfs/dbraw/zinc/55/83/61/815558361.db2.gz FEJIGNSDAFHACH-JTQLQIEISA-N 1 3 281.360 -0.145 20 0 CBADHO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001120569684 812993019 /nfs/dbraw/zinc/99/30/19/812993019.db2.gz GADPPHFXBFEIFK-HUUCEWRRSA-N 1 3 284.448 -0.331 20 0 CBADHO CC(C)(CO)N1CCN(c2nccnc2C[NH3+])CC1 ZINC001120815885 813021315 /nfs/dbraw/zinc/02/13/15/813021315.db2.gz FLFZFMBQKGDIRI-UHFFFAOYSA-N 1 3 265.361 -0.172 20 0 CBADHO CN1CCN(C)[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001120895445 813026669 /nfs/dbraw/zinc/02/66/69/813026669.db2.gz BHRYOUGYODHDBO-JTQLQIEISA-N 1 3 250.350 -0.407 20 0 CBADHO [NH3+]CCOCCOCCNc1ncc2c(n1)CCNC2 ZINC001159444283 815573386 /nfs/dbraw/zinc/57/33/86/815573386.db2.gz DOIKLDTWTMFUSE-UHFFFAOYSA-N 1 3 281.360 -0.474 20 0 CBADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)N(C)C ZINC001121798168 813076523 /nfs/dbraw/zinc/07/65/23/813076523.db2.gz GSVFBSLFHWUFHD-WAQQSHLVSA-N 1 3 296.415 -0.171 20 0 CBADHO CN1CCN(CCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001121925553 813090363 /nfs/dbraw/zinc/09/03/63/813090363.db2.gz APXPXANTMWWVCV-ZFWWWQNUSA-N 1 3 280.416 -0.260 20 0 CBADHO CN1CCN(CCCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001121926370 813090443 /nfs/dbraw/zinc/09/04/43/813090443.db2.gz MLQFIMCHKSRGHO-HIFRSBDPSA-N 1 3 280.416 -0.118 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001122099691 813117176 /nfs/dbraw/zinc/11/71/76/813117176.db2.gz JEQYEBXXYIYPLI-GRYCIOLGSA-N 1 3 257.378 -0.102 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001122009205 813103735 /nfs/dbraw/zinc/10/37/35/813103735.db2.gz HNFDQCMDHBTARW-ILXRZTDVSA-N 1 3 294.443 -0.014 20 0 CBADHO CCN1CCN(CCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001122009203 813104343 /nfs/dbraw/zinc/10/43/43/813104343.db2.gz HJWUEZRFERCFRT-UHFFFAOYSA-N 1 3 298.431 -0.770 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC001122007049 813104481 /nfs/dbraw/zinc/10/44/81/813104481.db2.gz MFGWOENKXUSNEQ-CYBMUJFWSA-N 1 3 262.357 -0.335 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001122024800 813106369 /nfs/dbraw/zinc/10/63/69/813106369.db2.gz ZVELGESDJFDFSA-GHMZBOCLSA-N 1 3 271.361 -0.085 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CNCCN2C)C[C@H]1C[NH3+] ZINC001122075148 813113353 /nfs/dbraw/zinc/11/33/53/813113353.db2.gz GVBSCCLQWCKJBP-YVECIDJPSA-N 1 3 268.405 -0.278 20 0 CBADHO C[C@@H](Nc1ncnc2c1CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001159490601 815577672 /nfs/dbraw/zinc/57/76/72/815577672.db2.gz XJIXYDXELSERPY-MFKMUULPSA-N 1 3 277.372 -0.046 20 0 CBADHO C[C@@H]1CN(C(=O)c2c(CN)cnn2C)C[C@H]1CC[NH3+] ZINC001122145019 813123609 /nfs/dbraw/zinc/12/36/09/813123609.db2.gz KEESPFXRIVDCMB-NXEZZACHSA-N 1 3 265.361 -0.064 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH3+])N1CCCCC1 ZINC001122149298 813124720 /nfs/dbraw/zinc/12/47/20/813124720.db2.gz UUUDWJFVEKYCJA-VXGBXAGGSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC001122227009 813136704 /nfs/dbraw/zinc/13/67/04/813136704.db2.gz MYQHZUKVGAAGRV-GRYCIOLGSA-N 1 3 255.362 -0.273 20 0 CBADHO CN(C(=O)CNC[C@H]1CCCO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567627 813177100 /nfs/dbraw/zinc/17/71/00/813177100.db2.gz VDOWTAYIFTWRCH-DCQANWLSSA-N 1 3 253.346 -0.569 20 0 CBADHO CN1CCN(c2nccc(N[C@@H](N)CCC[NH3+])n2)CC1 ZINC001159787909 815596783 /nfs/dbraw/zinc/59/67/83/815596783.db2.gz DROSBRHCKCOETF-LLVKDONJSA-N 1 3 279.392 -0.336 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001159917509 815604731 /nfs/dbraw/zinc/60/47/31/815604731.db2.gz XYGOLOXAXIOGBT-RYUDHWBXSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854984 815601793 /nfs/dbraw/zinc/60/17/93/815601793.db2.gz YUJFHNXNDYNJJX-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)N(C)C ZINC001123952207 813299644 /nfs/dbraw/zinc/29/96/44/813299644.db2.gz CPKYDCWUIQLWFC-DGCLKSJQSA-N 1 3 257.378 -0.148 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255598 813721476 /nfs/dbraw/zinc/72/14/76/813721476.db2.gz KDJOUYKQWZTEAQ-MNOVXSKESA-N 1 3 268.361 -0.948 20 0 CBADHO NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255598 813721480 /nfs/dbraw/zinc/72/14/80/813721480.db2.gz KDJOUYKQWZTEAQ-MNOVXSKESA-N 1 3 268.361 -0.948 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256543 813722261 /nfs/dbraw/zinc/72/22/61/813722261.db2.gz OVMWIDXPFLZNJD-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256543 813722263 /nfs/dbraw/zinc/72/22/63/813722263.db2.gz OVMWIDXPFLZNJD-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480497 813734355 /nfs/dbraw/zinc/73/43/55/813734355.db2.gz KLNDBIHRZPKNAE-NEPJUHHUSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690747 813741623 /nfs/dbraw/zinc/74/16/23/813741623.db2.gz SBMAJPYYLIGMJR-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690747 813741627 /nfs/dbraw/zinc/74/16/27/813741627.db2.gz SBMAJPYYLIGMJR-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001127700734 813742136 /nfs/dbraw/zinc/74/21/36/813742136.db2.gz CNCNNAUJJCWKQY-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001127700734 813742146 /nfs/dbraw/zinc/74/21/46/813742146.db2.gz CNCNNAUJJCWKQY-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685774 813742492 /nfs/dbraw/zinc/74/24/92/813742492.db2.gz TUYUPSZOZMGTGG-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685774 813742499 /nfs/dbraw/zinc/74/24/99/813742499.db2.gz TUYUPSZOZMGTGG-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653372 813742733 /nfs/dbraw/zinc/74/27/33/813742733.db2.gz UPPXIUJZIOFPBA-DMDPSCGWSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653372 813742736 /nfs/dbraw/zinc/74/27/36/813742736.db2.gz UPPXIUJZIOFPBA-DMDPSCGWSA-N 1 3 296.415 -0.301 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001127701701 813742750 /nfs/dbraw/zinc/74/27/50/813742750.db2.gz WNPORHGXFZSDBO-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC[N@H+]1C ZINC001127701701 813742755 /nfs/dbraw/zinc/74/27/55/813742755.db2.gz WNPORHGXFZSDBO-OUAUKWLOSA-N 1 3 270.377 -0.704 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128533223 813778824 /nfs/dbraw/zinc/77/88/24/813778824.db2.gz JKNDKSOWYFGSHS-NXEZZACHSA-N 1 3 276.356 -0.754 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)C(N)=O ZINC001128539865 813779234 /nfs/dbraw/zinc/77/92/34/813779234.db2.gz MHHZHPPFDSJFIB-QWRGUYRKSA-N 1 3 290.383 -0.364 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001128533617 813779702 /nfs/dbraw/zinc/77/97/02/813779702.db2.gz PBWFMHZEZUTVTO-QWRGUYRKSA-N 1 3 290.383 -0.493 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128533224 813779941 /nfs/dbraw/zinc/77/99/41/813779941.db2.gz JKNDKSOWYFGSHS-UWVGGRQHSA-N 1 3 276.356 -0.754 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001128533225 813780355 /nfs/dbraw/zinc/78/03/55/813780355.db2.gz JKNDKSOWYFGSHS-VHSXEESVSA-N 1 3 276.356 -0.754 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001128779158 813799037 /nfs/dbraw/zinc/79/90/37/813799037.db2.gz PTIRJBATCUXYDB-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001128779158 813799038 /nfs/dbraw/zinc/79/90/38/813799038.db2.gz PTIRJBATCUXYDB-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001129328234 813837116 /nfs/dbraw/zinc/83/71/16/813837116.db2.gz NKMZSZAVRIFZBF-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001129328234 813837119 /nfs/dbraw/zinc/83/71/19/813837119.db2.gz NKMZSZAVRIFZBF-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001129356205 813837278 /nfs/dbraw/zinc/83/72/78/813837278.db2.gz DIUHCEAYPSEGOO-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001129435911 813841872 /nfs/dbraw/zinc/84/18/72/813841872.db2.gz JWXCZUYXDVBCNL-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435656 813842952 /nfs/dbraw/zinc/84/29/52/813842952.db2.gz IINMHJLQTNPGKA-CYBMUJFWSA-N 1 3 279.388 -0.034 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435294 813843336 /nfs/dbraw/zinc/84/33/36/813843336.db2.gz DWSKJJLJTUBJSE-AWEZNQCLSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001129444571 813845070 /nfs/dbraw/zinc/84/50/70/813845070.db2.gz VIWDDLPEWNRHKI-GHMZBOCLSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001129437177 813845692 /nfs/dbraw/zinc/84/56/92/813845692.db2.gz WUYUZVCKNFDSRY-NWDGAFQWSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001129444679 813846088 /nfs/dbraw/zinc/84/60/88/813846088.db2.gz WZIUOSDNIDLEOW-PWSUYJOCSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001129535394 813848932 /nfs/dbraw/zinc/84/89/32/813848932.db2.gz PROLCSCPKAYUQM-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129839514 813869600 /nfs/dbraw/zinc/86/96/00/813869600.db2.gz AWROBTJDMYBMBZ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129839514 813869607 /nfs/dbraw/zinc/86/96/07/813869607.db2.gz AWROBTJDMYBMBZ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839573 813871769 /nfs/dbraw/zinc/87/17/69/813871769.db2.gz BZSLGZOYXBLVCA-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839573 813871778 /nfs/dbraw/zinc/87/17/78/813871778.db2.gz BZSLGZOYXBLVCA-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129854969 813872232 /nfs/dbraw/zinc/87/22/32/813872232.db2.gz ANRFFVYTIMPLFM-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129854969 813872245 /nfs/dbraw/zinc/87/22/45/813872245.db2.gz ANRFFVYTIMPLFM-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O ZINC001129949246 813883484 /nfs/dbraw/zinc/88/34/84/813883484.db2.gz AJKHNWMSQJYSGL-QWRGUYRKSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001130427354 813939298 /nfs/dbraw/zinc/93/92/98/813939298.db2.gz MSWBJEDPCVZUSQ-JTQLQIEISA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001130427354 813939303 /nfs/dbraw/zinc/93/93/03/813939303.db2.gz MSWBJEDPCVZUSQ-JTQLQIEISA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001130711085 813968814 /nfs/dbraw/zinc/96/88/14/813968814.db2.gz MXXXWCLTZSUZSB-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001130711085 813968819 /nfs/dbraw/zinc/96/88/19/813968819.db2.gz MXXXWCLTZSUZSB-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131525977 814037232 /nfs/dbraw/zinc/03/72/32/814037232.db2.gz SSDOPWZWMXWGRQ-LXVYMNJGSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790105 814068944 /nfs/dbraw/zinc/06/89/44/814068944.db2.gz GEMZGJQLSKAEMQ-PWSUYJOCSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)(C(=O)NCCNCC(N)=O)[NH+]1CCCC1 ZINC001132283898 814120163 /nfs/dbraw/zinc/12/01/63/814120163.db2.gz NNEPCFIIUPGPQU-UHFFFAOYSA-N 1 3 256.350 -0.948 20 0 CBADHO CC(C)(C(=O)NCCN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001132283952 814120707 /nfs/dbraw/zinc/12/07/07/814120707.db2.gz PSCKPUIHSWBNSJ-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132287024 814121786 /nfs/dbraw/zinc/12/17/86/814121786.db2.gz RXYBEOMJCDRZES-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132286961 814122403 /nfs/dbraw/zinc/12/24/03/814122403.db2.gz PALKTVDXERHNCS-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC)C1 ZINC001132737499 814182036 /nfs/dbraw/zinc/18/20/36/814182036.db2.gz NOPIQFLTLZDSQN-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC)C1 ZINC001132737499 814182043 /nfs/dbraw/zinc/18/20/43/814182043.db2.gz NOPIQFLTLZDSQN-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001132738047 814182557 /nfs/dbraw/zinc/18/25/57/814182557.db2.gz UMLGPNXDTOLGTF-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001132738047 814182561 /nfs/dbraw/zinc/18/25/61/814182561.db2.gz UMLGPNXDTOLGTF-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994992 814205947 /nfs/dbraw/zinc/20/59/47/814205947.db2.gz IZDHFVVQKVUEIS-UHFFFAOYSA-N 1 3 298.431 -0.194 20 0 CBADHO CN(CC1CC1)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040262 814211976 /nfs/dbraw/zinc/21/19/76/814211976.db2.gz IMALFHYQDUMZEW-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133043090 814212208 /nfs/dbraw/zinc/21/22/08/814212208.db2.gz QZOUVQZVBMTIOM-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001133040308 814212651 /nfs/dbraw/zinc/21/26/51/814212651.db2.gz KXXBFHJRWZYEFP-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO C[NH+]1CCC(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001133287671 814235653 /nfs/dbraw/zinc/23/56/53/814235653.db2.gz LRMNJYZZYVBYLT-GFCCVEGCSA-N 1 3 282.388 -0.687 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285618 814235673 /nfs/dbraw/zinc/23/56/73/814235673.db2.gz ACPBRVCLPGWHMX-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC(C)(C)C)CC1 ZINC001133286113 814236079 /nfs/dbraw/zinc/23/60/79/814236079.db2.gz XVUANFRAWVHOAR-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287691 814236118 /nfs/dbraw/zinc/23/61/18/814236118.db2.gz MKODTEURTUXKQG-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133298185 814238947 /nfs/dbraw/zinc/23/89/47/814238947.db2.gz ZFJKAZXHLJWMFV-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294967 814239939 /nfs/dbraw/zinc/23/99/39/814239939.db2.gz YALGQSBTTSYGCX-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001133418733 814251837 /nfs/dbraw/zinc/25/18/37/814251837.db2.gz FILVLQCFAYHOTA-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC1CC1)[NH+](C)C ZINC001133416042 814252264 /nfs/dbraw/zinc/25/22/64/814252264.db2.gz ZVVQQUVNYWFYQO-CYBMUJFWSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(N)=O)[NH+](C)C ZINC001133418950 814252492 /nfs/dbraw/zinc/25/24/92/814252492.db2.gz FTBQRTJZCMUOJP-VHSXEESVSA-N 1 3 258.366 -0.848 20 0 CBADHO CC[C@@H](C(=O)NCCN[C@H]1CCNC1=O)[NH+](CC)CC ZINC001133684133 814287611 /nfs/dbraw/zinc/28/76/11/814287611.db2.gz DGUONANBXSPWGY-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)[NH+](CC)CC ZINC001133684130 814287695 /nfs/dbraw/zinc/28/76/95/814287695.db2.gz DGUONANBXSPWGY-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NCCNCC(=O)NC)[NH+](CC)CC ZINC001133685332 814288037 /nfs/dbraw/zinc/28/80/37/814288037.db2.gz TVOHEILFYZXEQK-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCOCCO ZINC001133819833 814299597 /nfs/dbraw/zinc/29/95/97/814299597.db2.gz PIQUZNMLJMBRTN-LBPRGKRZSA-N 1 3 273.377 -0.815 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001133819845 814299809 /nfs/dbraw/zinc/29/98/09/814299809.db2.gz PNOVMVJZKFEFFI-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001133819845 814299816 /nfs/dbraw/zinc/29/98/16/814299816.db2.gz PNOVMVJZKFEFFI-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849637 814306988 /nfs/dbraw/zinc/30/69/88/814306988.db2.gz BDEMDBSMUUICQZ-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849637 814306996 /nfs/dbraw/zinc/30/69/96/814306996.db2.gz BDEMDBSMUUICQZ-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845520 814308361 /nfs/dbraw/zinc/30/83/61/814308361.db2.gz HYPYJDCHDSIMDY-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845520 814308368 /nfs/dbraw/zinc/30/83/68/814308368.db2.gz HYPYJDCHDSIMDY-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133845639 814308690 /nfs/dbraw/zinc/30/86/90/814308690.db2.gz KIECXTQFUHSBEA-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845981 814309428 /nfs/dbraw/zinc/30/94/28/814309428.db2.gz RFUQXVQKSSKIRX-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845981 814309437 /nfs/dbraw/zinc/30/94/37/814309437.db2.gz RFUQXVQKSSKIRX-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001133853432 814311492 /nfs/dbraw/zinc/31/14/92/814311492.db2.gz IUPVVQMJPOIQCP-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001133853432 814311501 /nfs/dbraw/zinc/31/15/01/814311501.db2.gz IUPVVQMJPOIQCP-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865204 814312661 /nfs/dbraw/zinc/31/26/61/814312661.db2.gz AICDHWRQJCNJBU-AAEUAGOBSA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865204 814312668 /nfs/dbraw/zinc/31/26/68/814312668.db2.gz AICDHWRQJCNJBU-AAEUAGOBSA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866577 814312722 /nfs/dbraw/zinc/31/27/22/814312722.db2.gz NNCMHBCREGFQES-NEPJUHHUSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866577 814312732 /nfs/dbraw/zinc/31/27/32/814312732.db2.gz NNCMHBCREGFQES-NEPJUHHUSA-N 1 3 298.431 -0.195 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867605 814314806 /nfs/dbraw/zinc/31/48/06/814314806.db2.gz VZGZVINSEDRFEX-NWDGAFQWSA-N 1 3 284.404 -0.632 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867605 814314813 /nfs/dbraw/zinc/31/48/13/814314813.db2.gz VZGZVINSEDRFEX-NWDGAFQWSA-N 1 3 284.404 -0.632 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867604 814315287 /nfs/dbraw/zinc/31/52/87/814315287.db2.gz VZGZVINSEDRFEX-NEPJUHHUSA-N 1 3 284.404 -0.632 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867604 814315297 /nfs/dbraw/zinc/31/52/97/814315297.db2.gz VZGZVINSEDRFEX-NEPJUHHUSA-N 1 3 284.404 -0.632 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865210 814315498 /nfs/dbraw/zinc/31/54/98/814315498.db2.gz AICDHWRQJCNJBU-YPMHNXCESA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865210 814315504 /nfs/dbraw/zinc/31/55/04/814315504.db2.gz AICDHWRQJCNJBU-YPMHNXCESA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(=O)N(C)C ZINC001133896676 814319388 /nfs/dbraw/zinc/31/93/88/814319388.db2.gz NZRBIUDGKVJNNE-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001133896648 814320036 /nfs/dbraw/zinc/32/00/36/814320036.db2.gz MSZSTNCMESZTDN-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908040 814322308 /nfs/dbraw/zinc/32/23/08/814322308.db2.gz FBSKKGSVWRETRK-LLVKDONJSA-N 1 3 286.420 -0.195 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906242 814323053 /nfs/dbraw/zinc/32/30/53/814323053.db2.gz RTNZLALQPASTPA-GFCCVEGCSA-N 1 3 289.420 -0.323 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001133966263 814330932 /nfs/dbraw/zinc/33/09/32/814330932.db2.gz ZWZAANBYVWITMM-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001133967708 814331575 /nfs/dbraw/zinc/33/15/75/814331575.db2.gz APIBMHNJGTVSLB-OLZOCXBDSA-N 1 3 297.403 -0.710 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968225 814331878 /nfs/dbraw/zinc/33/18/78/814331878.db2.gz RZGNNIYTANCPPZ-NEPJUHHUSA-N 1 3 286.420 -0.053 20 0 CBADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001134613063 814400162 /nfs/dbraw/zinc/40/01/62/814400162.db2.gz RWMVQNPKAJSHIB-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001134780720 814412443 /nfs/dbraw/zinc/41/24/43/814412443.db2.gz SYGHVDQYKZSVSV-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001134776672 814413083 /nfs/dbraw/zinc/41/30/83/814413083.db2.gz VFQFWSAXLRHWKU-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001159914231 815605005 /nfs/dbraw/zinc/60/50/05/815605005.db2.gz BRGUOASTNFMTQL-CQSZACIVSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(N)=O)C(C)C ZINC001135477822 814477935 /nfs/dbraw/zinc/47/79/35/814477935.db2.gz PUYBRXPWLRSGOS-GFCCVEGCSA-N 1 3 272.393 -0.456 20 0 CBADHO CN(CC(=O)NCCC[NH2+]CCOCCO)C1CCC1 ZINC001159997612 815607929 /nfs/dbraw/zinc/60/79/29/815607929.db2.gz UGJNBDJAGQSBMG-UHFFFAOYSA-N 1 3 287.404 -0.425 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001135513282 814482101 /nfs/dbraw/zinc/48/21/01/814482101.db2.gz KQZQQBFWGVSGGT-LBPRGKRZSA-N 1 3 294.403 -0.187 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001135743499 814517546 /nfs/dbraw/zinc/51/75/46/814517546.db2.gz LKTVFNNJOSHCDT-NEPJUHHUSA-N 1 3 286.420 -0.053 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426680 815619232 /nfs/dbraw/zinc/61/92/32/815619232.db2.gz ISTMKOOGCHBDAQ-RYUDHWBXSA-N 1 3 286.420 -0.197 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)N(C)C ZINC001160426670 815619699 /nfs/dbraw/zinc/61/96/99/815619699.db2.gz IQWYZWSHFQYKBX-ZDUSSCGKSA-N 1 3 296.419 -0.040 20 0 CBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)N)CC[C@@H]2C1 ZINC001159637138 815582311 /nfs/dbraw/zinc/58/23/11/815582311.db2.gz XLGBWTHBZSCBSP-JHJVBQTASA-N 1 3 285.388 -0.471 20 0 CBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](C)N)CC[C@@H]2C1 ZINC001159637138 815582318 /nfs/dbraw/zinc/58/23/18/815582318.db2.gz XLGBWTHBZSCBSP-JHJVBQTASA-N 1 3 285.388 -0.471 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001146709672 814843454 /nfs/dbraw/zinc/84/34/54/814843454.db2.gz ARWCSUKPUOHLQI-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001146709672 814843457 /nfs/dbraw/zinc/84/34/57/814843457.db2.gz ARWCSUKPUOHLQI-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001146710235 814843792 /nfs/dbraw/zinc/84/37/92/814843792.db2.gz GXAYQZKRVJLRNG-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001146710235 814843797 /nfs/dbraw/zinc/84/37/97/814843797.db2.gz GXAYQZKRVJLRNG-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCC(C)C ZINC001146710267 814844189 /nfs/dbraw/zinc/84/41/89/814844189.db2.gz INVPNGIEPSCQAL-UHFFFAOYSA-N 1 3 286.420 -0.194 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC(C)C ZINC001146710267 814844190 /nfs/dbraw/zinc/84/41/90/814844190.db2.gz INVPNGIEPSCQAL-UHFFFAOYSA-N 1 3 286.420 -0.194 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719586 814844809 /nfs/dbraw/zinc/84/48/09/814844809.db2.gz QUDDBOUAXLHCGU-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719586 814844815 /nfs/dbraw/zinc/84/48/15/814844815.db2.gz QUDDBOUAXLHCGU-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719693 814845725 /nfs/dbraw/zinc/84/57/25/814845725.db2.gz UXQAMPNFCWHZEL-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719693 814845728 /nfs/dbraw/zinc/84/57/28/814845728.db2.gz UXQAMPNFCWHZEL-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO C[C@@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001147301442 814887939 /nfs/dbraw/zinc/88/79/39/814887939.db2.gz YIVQGLOGNMAZDX-LLVKDONJSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001147877020 814920820 /nfs/dbraw/zinc/92/08/20/814920820.db2.gz CFUIFBIWDYIXPF-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001147877020 814920826 /nfs/dbraw/zinc/92/08/26/814920826.db2.gz CFUIFBIWDYIXPF-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877914 814921894 /nfs/dbraw/zinc/92/18/94/814921894.db2.gz PLTGAYNOAPEBLX-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877914 814921897 /nfs/dbraw/zinc/92/18/97/814921897.db2.gz PLTGAYNOAPEBLX-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147877632 814921921 /nfs/dbraw/zinc/92/19/21/814921921.db2.gz NDRKEJYUWBWVHS-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147877632 814921925 /nfs/dbraw/zinc/92/19/25/814921925.db2.gz NDRKEJYUWBWVHS-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147884258 814922329 /nfs/dbraw/zinc/92/23/29/814922329.db2.gz CJTBARSMYXUARX-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147884258 814922335 /nfs/dbraw/zinc/92/23/35/814922335.db2.gz CJTBARSMYXUARX-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877603 814922436 /nfs/dbraw/zinc/92/24/36/814922436.db2.gz MLEVMGONERBTMU-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877603 814922441 /nfs/dbraw/zinc/92/24/41/814922441.db2.gz MLEVMGONERBTMU-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147884257 814922548 /nfs/dbraw/zinc/92/25/48/814922548.db2.gz CJTBARSMYXUARX-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147884257 814922552 /nfs/dbraw/zinc/92/25/52/814922552.db2.gz CJTBARSMYXUARX-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147878418 814922622 /nfs/dbraw/zinc/92/26/22/814922622.db2.gz YHENBTKZQLCHGG-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147878418 814922629 /nfs/dbraw/zinc/92/26/29/814922629.db2.gz YHENBTKZQLCHGG-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915050 815603936 /nfs/dbraw/zinc/60/39/36/815603936.db2.gz GXYIUWDCNHGXGY-GFCCVEGCSA-N 1 3 270.377 -0.832 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001159915002 815604321 /nfs/dbraw/zinc/60/43/21/815604321.db2.gz FUQGLFMSRHBKRJ-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001159915000 815604786 /nfs/dbraw/zinc/60/47/86/815604786.db2.gz FUQGLFMSRHBKRJ-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001160428286 815621362 /nfs/dbraw/zinc/62/13/62/815621362.db2.gz YVLHHBYGKLGXGL-NEPJUHHUSA-N 1 3 286.420 -0.068 20 0 CBADHO Cc1cc(CN(C)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n(C)n1 ZINC001160475533 815626113 /nfs/dbraw/zinc/62/61/13/815626113.db2.gz QNDDPXYSSCXNKD-IUODEOHRSA-N 1 3 291.399 -0.114 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCn2cccc2C1 ZINC001160477414 815628251 /nfs/dbraw/zinc/62/82/51/815628251.db2.gz ZJUNHCNLAQMSKM-NSHDSACASA-N 1 3 268.386 -0.151 20 0 CBADHO [NH3+]C[C@]1(Nc2ncc3c(n2)CCNC3)CN2CCC1CC2 ZINC001160512412 815633033 /nfs/dbraw/zinc/63/30/33/815633033.db2.gz VKAFBQUMFBICHV-HNNXBMFYSA-N 1 3 288.399 -0.043 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(CO)C1 ZINC001160531532 815633721 /nfs/dbraw/zinc/63/37/21/815633721.db2.gz SESXYEATLDNGRH-LLVKDONJSA-N 1 3 253.346 -0.689 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(CO)C1 ZINC001160531532 815633726 /nfs/dbraw/zinc/63/37/26/815633726.db2.gz SESXYEATLDNGRH-LLVKDONJSA-N 1 3 253.346 -0.689 20 0 CBADHO CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C1COC1 ZINC001160541441 815635059 /nfs/dbraw/zinc/63/50/59/815635059.db2.gz BZQGXCGAQLQRGF-NSHDSACASA-N 1 3 253.346 -0.282 20 0 CBADHO CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C1COC1 ZINC001160541441 815635066 /nfs/dbraw/zinc/63/50/66/815635066.db2.gz BZQGXCGAQLQRGF-NSHDSACASA-N 1 3 253.346 -0.282 20 0 CBADHO CCOC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596178 815642986 /nfs/dbraw/zinc/64/29/86/815642986.db2.gz LFEHALXKQDRFHG-NEPJUHHUSA-N 1 3 299.371 -0.896 20 0 CBADHO O=C(N1CCC[C@@H](CCO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160610410 815645229 /nfs/dbraw/zinc/64/52/29/815645229.db2.gz CCRYMNSHVBDQKL-GZBFAFLISA-N 1 3 281.400 -0.194 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@H](CCO)C1 ZINC001160610934 815645623 /nfs/dbraw/zinc/64/56/23/815645623.db2.gz PHUVCRGSLWHRTD-MNOVXSKESA-N 1 3 275.418 -0.373 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160638479 815648534 /nfs/dbraw/zinc/64/85/34/815648534.db2.gz UMSAGUMKRNTOLT-NEPJUHHUSA-N 1 3 280.376 -0.102 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647280 815652072 /nfs/dbraw/zinc/65/20/72/815652072.db2.gz FCZKWVPLSUSLFI-AXFHLTTASA-N 1 3 269.324 -0.812 20 0 CBADHO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160654768 815653177 /nfs/dbraw/zinc/65/31/77/815653177.db2.gz BGJKIJNYEGGREY-YUSALJHKSA-N 1 3 255.362 -0.315 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160662687 815654443 /nfs/dbraw/zinc/65/44/43/815654443.db2.gz BNRMMRTWGXYWGD-QMMMGPOBSA-N 1 3 263.288 -0.121 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001160687265 815657148 /nfs/dbraw/zinc/65/71/48/815657148.db2.gz BDCHKRZDZWNZMX-GFCCVEGCSA-N 1 3 265.361 -0.166 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160684229 815657548 /nfs/dbraw/zinc/65/75/48/815657548.db2.gz RYKCIWJDZJDGTQ-VIFPVBQESA-N 1 3 277.390 -0.773 20 0 CBADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]2C1 ZINC001160703879 815660090 /nfs/dbraw/zinc/66/00/90/815660090.db2.gz GQZBQFCTXSHNDS-DPNGTGFASA-N 1 3 273.402 -0.898 20 0 CBADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]2C1 ZINC001160703879 815660096 /nfs/dbraw/zinc/66/00/96/815660096.db2.gz GQZBQFCTXSHNDS-DPNGTGFASA-N 1 3 273.402 -0.898 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160718359 815663181 /nfs/dbraw/zinc/66/31/81/815663181.db2.gz GFTWHEODFLSTFP-WDEREUQCSA-N 1 3 283.372 -0.120 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160718359 815663184 /nfs/dbraw/zinc/66/31/84/815663184.db2.gz GFTWHEODFLSTFP-WDEREUQCSA-N 1 3 283.372 -0.120 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160723041 815663496 /nfs/dbraw/zinc/66/34/96/815663496.db2.gz WXVUSYOHYRDLFR-LBPRGKRZSA-N 1 3 280.376 -0.102 20 0 CBADHO CN(C(=O)[C@@H](N)CCCC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718911 815663588 /nfs/dbraw/zinc/66/35/88/815663588.db2.gz XKCZWOXLQBDKAQ-NSHDSACASA-N 1 3 291.417 -0.522 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160786764 815672072 /nfs/dbraw/zinc/67/20/72/815672072.db2.gz IBLLWGFJIXYECC-NWDGAFQWSA-N 1 3 297.374 -0.085 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001160839383 815676023 /nfs/dbraw/zinc/67/60/23/815676023.db2.gz PHKYGMZSCDVFEQ-DGCLKSJQSA-N 1 3 255.362 -0.225 20 0 CBADHO COC(=O)C[C@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160833918 815676080 /nfs/dbraw/zinc/67/60/80/815676080.db2.gz VFSKHMMMJMSJIK-GHMZBOCLSA-N 1 3 271.361 -0.146 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@@H]21 ZINC001160883375 815683696 /nfs/dbraw/zinc/68/36/96/815683696.db2.gz KIFPJYYBXOGSOP-LOWDOPEQSA-N 1 3 295.383 -0.419 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001160883857 815685908 /nfs/dbraw/zinc/68/59/08/815685908.db2.gz WVELMQHRNAFUKX-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001160965810 815691882 /nfs/dbraw/zinc/69/18/82/815691882.db2.gz YLJUEDOZCIBRJW-RDUAZDEBSA-N 1 3 287.429 -0.508 20 0 CBADHO CC(=O)[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161037959 815701074 /nfs/dbraw/zinc/70/10/74/815701074.db2.gz CEJFHZQSCJGEHL-NEPJUHHUSA-N 1 3 253.346 -0.249 20 0 CBADHO CN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058533 815705120 /nfs/dbraw/zinc/70/51/20/815705120.db2.gz XGEQWXXAJQKIGC-WOPDTQHZSA-N 1 3 282.388 -0.955 20 0 CBADHO CN(C(=O)[C@@H](N)CC[S@](C)=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060228 815706191 /nfs/dbraw/zinc/70/61/91/815706191.db2.gz ALDLXHYGTODNTE-CKPCYDFHSA-N 1 3 275.418 -0.189 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@@H]21 ZINC001161081135 815708628 /nfs/dbraw/zinc/70/86/28/815708628.db2.gz FSLCARNIYHQSLC-MBNYWOFBSA-N 1 3 266.389 -0.380 20 0 CBADHO Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001161077181 815708837 /nfs/dbraw/zinc/70/88/37/815708837.db2.gz RKTPCGVOPAAHJN-AWEZNQCLSA-N 1 3 286.379 -0.038 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@@H]21 ZINC001161081355 815709430 /nfs/dbraw/zinc/70/94/30/815709430.db2.gz ITJSUPIDGDNUIN-WXHSDQCUSA-N 1 3 277.372 -0.168 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@@H]21 ZINC001161081355 815709435 /nfs/dbraw/zinc/70/94/35/815709435.db2.gz ITJSUPIDGDNUIN-WXHSDQCUSA-N 1 3 277.372 -0.168 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]21 ZINC001161081133 815709586 /nfs/dbraw/zinc/70/95/86/815709586.db2.gz FSLCARNIYHQSLC-BZPMIXESSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001161080983 815709594 /nfs/dbraw/zinc/70/95/94/815709594.db2.gz AQCWLWTVBRHWDR-NTZNESFSSA-N 1 3 252.362 -0.770 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@@H]21 ZINC001161081447 815709758 /nfs/dbraw/zinc/70/97/58/815709758.db2.gz KHXZYZJDSHXFKM-OSFYFWSMSA-N 1 3 278.400 -0.510 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084245 815711171 /nfs/dbraw/zinc/71/11/71/815711171.db2.gz DMDABXQKDVNBRK-DCAQKATOSA-N 1 3 279.340 -0.613 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084245 815711175 /nfs/dbraw/zinc/71/11/75/815711175.db2.gz DMDABXQKDVNBRK-DCAQKATOSA-N 1 3 279.340 -0.613 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081871 815711668 /nfs/dbraw/zinc/71/16/68/815711668.db2.gz MHOPJWZWXQOMBP-BJDJZHNGSA-N 1 3 253.346 -0.738 20 0 CBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161093315 815714808 /nfs/dbraw/zinc/71/48/08/815714808.db2.gz LCBOKWZWGVTBHG-NWDGAFQWSA-N 1 3 299.371 -0.896 20 0 CBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161093318 815714906 /nfs/dbraw/zinc/71/49/06/815714906.db2.gz LCBOKWZWGVTBHG-VXGBXAGGSA-N 1 3 299.371 -0.896 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161129434 815717632 /nfs/dbraw/zinc/71/76/32/815717632.db2.gz FTOYEJJQXCJBJM-KBPBESRZSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCC(=O)OC)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161132693 815718186 /nfs/dbraw/zinc/71/81/86/815718186.db2.gz RNUDXZPSGROROM-BXUZGUMPSA-N 1 3 283.372 -0.403 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161131086 815718886 /nfs/dbraw/zinc/71/88/86/815718886.db2.gz NQEXJPQYALGXKC-RYUDHWBXSA-N 1 3 270.377 -0.478 20 0 CBADHO C[C@](N)(CO)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205846 815727695 /nfs/dbraw/zinc/72/76/95/815727695.db2.gz SUCAADPOLYAXLN-AWEZNQCLSA-N 1 3 269.389 -0.066 20 0 CBADHO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H]1CCC2(C1)OCCO2 ZINC001161219202 815728778 /nfs/dbraw/zinc/72/87/78/815728778.db2.gz OIDSVRLWFWSMMH-NEPJUHHUSA-N 1 3 295.383 -0.451 20 0 CBADHO N[C@H](C(=O)N1CCC[C@@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235067 815732321 /nfs/dbraw/zinc/73/23/21/815732321.db2.gz MVFOZGZVCNVVHD-OLZOCXBDSA-N 1 3 292.387 -0.232 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001161251325 815734411 /nfs/dbraw/zinc/73/44/11/815734411.db2.gz OMDIZUOFSHRDGC-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO N[C@@H](C(=O)N1CCC2(CCC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161298055 815738330 /nfs/dbraw/zinc/73/83/30/815738330.db2.gz FHQAGMPLFRXQPJ-CYBMUJFWSA-N 1 3 294.399 -0.416 20 0 CBADHO CCN(C(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H]1CCC[NH2+]C1 ZINC001161329186 815740050 /nfs/dbraw/zinc/74/00/50/815740050.db2.gz WHCTXJHKBMLQBN-NEPJUHHUSA-N 1 3 265.361 -0.120 20 0 CBADHO CCN(C(=O)[C@H](N)CCC(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001161332417 815741100 /nfs/dbraw/zinc/74/11/00/815741100.db2.gz MYLWTJCQQRCDTG-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(C(=O)[C@@H](N)CCC(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001161332421 815741721 /nfs/dbraw/zinc/74/17/21/815741721.db2.gz MYLWTJCQQRCDTG-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(C(=O)[C@H]1CNCCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161340257 815746446 /nfs/dbraw/zinc/74/64/46/815746446.db2.gz QEBNFDYWDHTDAD-VXGBXAGGSA-N 1 3 254.378 -0.510 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377207 815749011 /nfs/dbraw/zinc/74/90/11/815749011.db2.gz GBNLBKYUGOBJEH-QWRGUYRKSA-N 1 3 290.358 -0.007 20 0 CBADHO NC1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001161381165 815749087 /nfs/dbraw/zinc/74/90/87/815749087.db2.gz NZVRXCDYIWFXKM-NSHDSACASA-N 1 3 253.346 -0.199 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412013 815751318 /nfs/dbraw/zinc/75/13/18/815751318.db2.gz FCMVHQFADSIXLG-SQNXGDPESA-N 1 3 277.372 -0.514 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412047 815751840 /nfs/dbraw/zinc/75/18/40/815751840.db2.gz FKLXWOSKLZKZHL-ZDDJMSTPSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412047 815751847 /nfs/dbraw/zinc/75/18/47/815751847.db2.gz FKLXWOSKLZKZHL-ZDDJMSTPSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC001161414332 815752796 /nfs/dbraw/zinc/75/27/96/815752796.db2.gz VCQYMFJEBGHDJJ-LOWDOPEQSA-N 1 3 294.399 -0.478 20 0 CBADHO N[C@@H](C(=O)N1CC(=O)NC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC001161416018 815753013 /nfs/dbraw/zinc/75/30/13/815753013.db2.gz CPHHUJVVLFZGRD-CYBMUJFWSA-N 1 3 294.399 -0.416 20 0 CBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1(N)CC1)CC2 ZINC001161481915 815758980 /nfs/dbraw/zinc/75/89/80/815758980.db2.gz ZLWLOJRDTQQMBP-CABZTGNLSA-N 1 3 267.329 -0.769 20 0 CBADHO C[C@@H]1CN(C2CN(C(=O)[C@H](N)CCC[NH3+])C2)C[C@H](C)O1 ZINC001161493379 815761479 /nfs/dbraw/zinc/76/14/79/815761479.db2.gz MOTLBPPPUJWPRX-NTZNESFSSA-N 1 3 284.404 -0.627 20 0 CBADHO O=C(N1CC(C(F)F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161498574 815763820 /nfs/dbraw/zinc/76/38/20/815763820.db2.gz KBHJYDUIGCJZRY-BXKDBHETSA-N 1 3 259.300 -0.091 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)COC1(C)C ZINC001161529734 815767472 /nfs/dbraw/zinc/76/74/72/815767472.db2.gz GLMCACJKRAKUKI-RCWTZXSCSA-N 1 3 298.387 -0.755 20 0 CBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161567666 815771836 /nfs/dbraw/zinc/77/18/36/815771836.db2.gz ZOTBOZDHADDPNP-WDEREUQCSA-N 1 3 287.360 -0.767 20 0 CBADHO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc2c(n1)CNCC2 ZINC001162090376 815801764 /nfs/dbraw/zinc/80/17/64/815801764.db2.gz MHKMFPWADPQYBO-NSHDSACASA-N 1 3 276.388 -0.172 20 0 CBADHO CNCc1cc(N[C@@H](C)CN2CC[NH2+]CC2)ncn1 ZINC001162093898 815802857 /nfs/dbraw/zinc/80/28/57/815802857.db2.gz SUKXKGWTFZHPCX-NSHDSACASA-N 1 3 264.377 -0.098 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])c1ccc2c(n1)OCCNC2 ZINC001162123942 815803701 /nfs/dbraw/zinc/80/37/01/815803701.db2.gz KSHMLJUZQPDSSM-UHFFFAOYSA-N 1 3 286.357 -0.712 20 0 CBADHO CNCc1cc(NCc2nnn3c2C[NH2+]CCC3)ncn1 ZINC001162974394 815851747 /nfs/dbraw/zinc/85/17/47/815851747.db2.gz ZMSAEPKIKRVERI-UHFFFAOYSA-N 1 3 288.359 -0.107 20 0 CBADHO CCN(CC)CCNC(=[NH2+])Nc1cncc(C(N)=O)n1 ZINC001163127029 815860774 /nfs/dbraw/zinc/86/07/74/815860774.db2.gz XITOJERUVBKAAY-UHFFFAOYSA-N 1 3 279.348 -0.146 20 0 CBADHO C[C@H](CNCc1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001308256451 816822335 /nfs/dbraw/zinc/82/23/35/816822335.db2.gz NKGSLPXJEIRNJT-LLVKDONJSA-N 1 3 252.366 -0.459 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)[C@H]2CCNC2=O)C1 ZINC001316851442 816891333 /nfs/dbraw/zinc/89/13/33/816891333.db2.gz WSEIBLQCLCJCEW-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@H]2CCNC2=O)C1 ZINC001316851442 816891341 /nfs/dbraw/zinc/89/13/41/816891341.db2.gz WSEIBLQCLCJCEW-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCNCC(N)=O)[NH+](C)C ZINC001317629559 817034393 /nfs/dbraw/zinc/03/43/93/817034393.db2.gz XQFKPXLPDQZEQL-LLVKDONJSA-N 1 3 258.366 -0.894 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318168799 817082725 /nfs/dbraw/zinc/08/27/25/817082725.db2.gz IVSKVMLPAKIFRN-NWDGAFQWSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318168799 817082733 /nfs/dbraw/zinc/08/27/33/817082733.db2.gz IVSKVMLPAKIFRN-NWDGAFQWSA-N 1 3 269.389 -0.243 20 0 CBADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(CCO)C1 ZINC001318424050 817108340 /nfs/dbraw/zinc/10/83/40/817108340.db2.gz IANXIHQWKNXAKA-GFCCVEGCSA-N 1 3 269.389 -0.147 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCO ZINC001319112916 817167037 /nfs/dbraw/zinc/16/70/37/817167037.db2.gz DUBVFAUDTNQTDH-LLVKDONJSA-N 1 3 252.318 -0.475 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320755661 817387390 /nfs/dbraw/zinc/38/73/90/817387390.db2.gz KVDURXQDTXRYMV-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320755661 817387401 /nfs/dbraw/zinc/38/74/01/817387401.db2.gz KVDURXQDTXRYMV-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321057605 817436404 /nfs/dbraw/zinc/43/64/04/817436404.db2.gz QUDQUXKDJQFHSN-QITAHTHBSA-N 1 3 296.415 -0.005 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321057605 817436408 /nfs/dbraw/zinc/43/64/08/817436408.db2.gz QUDQUXKDJQFHSN-QITAHTHBSA-N 1 3 296.415 -0.005 20 0 CBADHO COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001321190041 817457379 /nfs/dbraw/zinc/45/73/79/817457379.db2.gz SHNAITXHVAHORQ-CDJBXZAQSA-N 1 3 285.388 -0.650 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001321220712 817464146 /nfs/dbraw/zinc/46/41/46/817464146.db2.gz CCJFXVZYMXOVFB-MVIFTORASA-N 1 3 270.377 -0.665 20 0 CBADHO NCCS(=O)(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC001238581261 825555469 /nfs/dbraw/zinc/55/54/69/825555469.db2.gz HGWDCZGYZRYJIW-LLVKDONJSA-N 1 3 257.359 -0.566 20 0 CBADHO CN(C)C1CN(c2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001163940399 819871980 /nfs/dbraw/zinc/87/19/80/819871980.db2.gz IPZDLKICALCIDG-UHFFFAOYSA-N 1 3 262.361 -0.364 20 0 CBADHO c1c2c(nnc1N1CC[C@@H]3[NH2+]CCO[C@H]3C1)CCNC2 ZINC001165270649 819945904 /nfs/dbraw/zinc/94/59/04/819945904.db2.gz IVWHSIBNEVPBDX-STQMWFEESA-N 1 3 275.356 -0.311 20 0 CBADHO COC(=O)[C@H]1C[NH2+]CCN1c1ncc2c(n1)CNC2 ZINC001165438096 819963658 /nfs/dbraw/zinc/96/36/58/819963658.db2.gz COZNWBDMENBZRW-SNVBAGLBSA-N 1 3 263.301 -0.969 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001166004563 819988125 /nfs/dbraw/zinc/98/81/25/819988125.db2.gz RVBMBMQFUNMSJV-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001166010193 819989708 /nfs/dbraw/zinc/98/97/08/819989708.db2.gz KDMVNWNADTVXBA-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627636 820009148 /nfs/dbraw/zinc/00/91/48/820009148.db2.gz XXQVGEVQOIZEBW-STQMWFEESA-N 1 3 287.404 -0.426 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001166633680 820010040 /nfs/dbraw/zinc/01/00/40/820010040.db2.gz JIYMUSPCSDDUFO-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668362 820012944 /nfs/dbraw/zinc/01/29/44/820012944.db2.gz ZVACTFFROLMDMA-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCO)C1 ZINC001166677788 820013518 /nfs/dbraw/zinc/01/35/18/820013518.db2.gz NDOQWJHWUCSFSY-LBPRGKRZSA-N 1 3 257.378 -0.194 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166667599 820015111 /nfs/dbraw/zinc/01/51/11/820015111.db2.gz DNYOPCPTBXLEDW-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(=O)N(C)C ZINC001166678160 820017187 /nfs/dbraw/zinc/01/71/87/820017187.db2.gz UDOKFRAZZVTMCW-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764883 820035045 /nfs/dbraw/zinc/03/50/45/820035045.db2.gz MHRQSYMBGFQFSJ-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001166865140 820042890 /nfs/dbraw/zinc/04/28/90/820042890.db2.gz ATOVCMUKPWJDNO-LBPRGKRZSA-N 1 3 299.419 -0.552 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001166852774 820043065 /nfs/dbraw/zinc/04/30/65/820043065.db2.gz WKDPVPSMOBWFNZ-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc(C)cc1CN ZINC001166967901 820055052 /nfs/dbraw/zinc/05/50/52/820055052.db2.gz QEPVNCKVAQRYQQ-MNOVXSKESA-N 1 3 264.329 -0.072 20 0 CBADHO [NH3+]CCc1nnn(-c2ccc3c(c2)COC32CNC2)n1 ZINC001167792797 820122231 /nfs/dbraw/zinc/12/22/31/820122231.db2.gz NFSSTPPCSOIQLR-UHFFFAOYSA-N 1 3 272.312 -0.508 20 0 CBADHO COC(=O)c1cncc(NC(=N)NCCCC[NH3+])n1 ZINC001167879499 820125077 /nfs/dbraw/zinc/12/50/77/820125077.db2.gz VNDGEYNLFVBUSM-UHFFFAOYSA-N 1 3 266.305 -0.062 20 0 CBADHO CS(=O)(=O)c1cc(NC(=N)NCCCC[NH3+])ncn1 ZINC001167877667 820125136 /nfs/dbraw/zinc/12/51/36/820125136.db2.gz JDZBVSDJSIVEGX-UHFFFAOYSA-N 1 3 286.361 -0.445 20 0 CBADHO CS(=O)(=O)c1nccc(NC(=N)NCCCC[NH3+])n1 ZINC001167879008 820125493 /nfs/dbraw/zinc/12/54/93/820125493.db2.gz WLRFCMCIVNWVFN-UHFFFAOYSA-N 1 3 286.361 -0.445 20 0 CBADHO CN(C)C(=O)c1ccc(NC(=N)NCCCC[NH3+])nn1 ZINC001167880622 820125674 /nfs/dbraw/zinc/12/56/74/820125674.db2.gz RWUCFOPKQYIARB-UHFFFAOYSA-N 1 3 279.348 -0.146 20 0 CBADHO CNCc1cc(N[C@H](CCC[NH3+])C(=O)OC)ncn1 ZINC001167895568 820127382 /nfs/dbraw/zinc/12/73/82/820127382.db2.gz JPRUZQIMGZQLCI-SNVBAGLBSA-N 1 3 267.333 -0.112 20 0 CBADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168321120 820157810 /nfs/dbraw/zinc/15/78/10/820157810.db2.gz XVECHGQIRRLPDQ-UHFFFAOYSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001168754726 820174962 /nfs/dbraw/zinc/17/49/62/820174962.db2.gz ANMBUBLCPVEPGG-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001168755109 820174972 /nfs/dbraw/zinc/17/49/72/820174972.db2.gz IISRTNPPEBPCFO-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001168756186 820177091 /nfs/dbraw/zinc/17/70/91/820177091.db2.gz WPGFVPJNLLEJJP-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001168763487 820181100 /nfs/dbraw/zinc/18/11/00/820181100.db2.gz OHXADWLNBMQKPZ-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CNC(=O)CO1)C2 ZINC001169100497 820206365 /nfs/dbraw/zinc/20/63/65/820206365.db2.gz JZRHBQRPGPTTRN-WRWGMCAJSA-N 1 3 253.346 -0.284 20 0 CBADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CNC(=O)CO1)C2 ZINC001169100497 820206371 /nfs/dbraw/zinc/20/63/71/820206371.db2.gz JZRHBQRPGPTTRN-WRWGMCAJSA-N 1 3 253.346 -0.284 20 0 CBADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CNC(=O)CO1)C2 ZINC001169100498 820206770 /nfs/dbraw/zinc/20/67/70/820206770.db2.gz JZRHBQRPGPTTRN-YFKTTZPYSA-N 1 3 253.346 -0.284 20 0 CBADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CNC(=O)CO1)C2 ZINC001169100498 820206776 /nfs/dbraw/zinc/20/67/76/820206776.db2.gz JZRHBQRPGPTTRN-YFKTTZPYSA-N 1 3 253.346 -0.284 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@H](C[NH3+])C(=O)OC)CO1 ZINC001169334484 820238976 /nfs/dbraw/zinc/23/89/76/820238976.db2.gz LGDRWCFWNRMPJH-AXFHLTTASA-N 1 3 288.344 -0.565 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCCNCc1cnnn1C ZINC001170211956 820279999 /nfs/dbraw/zinc/27/99/99/820279999.db2.gz SVTCZHUDXMAQBB-UHFFFAOYSA-N 1 3 282.392 -0.247 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCCNCc1cnnn1C ZINC001170211956 820280005 /nfs/dbraw/zinc/28/00/05/820280005.db2.gz SVTCZHUDXMAQBB-UHFFFAOYSA-N 1 3 282.392 -0.247 20 0 CBADHO CN1CCOc2c1cnnc2NCCOCCOCC[NH3+] ZINC001170507843 820296908 /nfs/dbraw/zinc/29/69/08/820296908.db2.gz KULIJYPLOSNYOC-UHFFFAOYSA-N 1 3 297.359 -0.291 20 0 CBADHO COC(=O)[C@@H](C[NH3+])CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512189 820297198 /nfs/dbraw/zinc/29/71/98/820297198.db2.gz IHZTVCDSMGJSHN-KXUCPTDWSA-N 1 3 258.318 -0.334 20 0 CBADHO NCc1cccc(NCCOCCOCC[NH3+])n1 ZINC001170512571 820298891 /nfs/dbraw/zinc/29/88/91/820298891.db2.gz HMHHMUJTFWIIAQ-UHFFFAOYSA-N 1 3 254.334 -0.056 20 0 CBADHO C[C@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001170557517 820305986 /nfs/dbraw/zinc/30/59/86/820305986.db2.gz CKBWQPWMNAQMSS-RYUDHWBXSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001170557516 820306252 /nfs/dbraw/zinc/30/62/52/820306252.db2.gz CKBWQPWMNAQMSS-NWDGAFQWSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001170557939 820306842 /nfs/dbraw/zinc/30/68/42/820306842.db2.gz JEYJQPODCWIEKA-NEPJUHHUSA-N 1 3 292.387 -0.325 20 0 CBADHO CNCc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ncn1 ZINC001170574735 820307673 /nfs/dbraw/zinc/30/76/73/820307673.db2.gz WMXPSLALVFMTJO-GXSJLCMTSA-N 1 3 251.334 -0.015 20 0 CBADHO CNCc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ncn1 ZINC001170574736 820308958 /nfs/dbraw/zinc/30/89/58/820308958.db2.gz WMXPSLALVFMTJO-KOLCDFICSA-N 1 3 251.334 -0.015 20 0 CBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(CNC)ncn1 ZINC001170868385 820329937 /nfs/dbraw/zinc/32/99/37/820329937.db2.gz SGTVHMGHKNAFEY-GHMZBOCLSA-N 1 3 279.344 -0.241 20 0 CBADHO COC(=O)c1coc(=O)c(N[C@H](N)CCC[NH3+])c1 ZINC001170900033 820334967 /nfs/dbraw/zinc/33/49/67/820334967.db2.gz OJKPJACQMRNDCC-VIFPVBQESA-N 1 3 255.274 -0.138 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1ccc2c(n1)OCCNC2 ZINC001170992550 820341872 /nfs/dbraw/zinc/34/18/72/820341872.db2.gz PJUDSNAFDNAEDV-UHFFFAOYSA-N 1 3 294.355 -0.108 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303242 820356991 /nfs/dbraw/zinc/35/69/91/820356991.db2.gz CBTOUDVVOFGUJS-UHFFFAOYSA-N 1 3 292.387 -0.493 20 0 CBADHO CCN1CC[C@H](N2CCN(CCC[NH3+])CC2)CC1=O ZINC001172033643 820380842 /nfs/dbraw/zinc/38/08/42/820380842.db2.gz QAHRIEFIVKPPSD-ZDUSSCGKSA-N 1 3 268.405 -0.036 20 0 CBADHO [NH3+]CCN1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172148576 820384069 /nfs/dbraw/zinc/38/40/69/820384069.db2.gz AVCJCQUOAFXLSR-OLZOCXBDSA-N 1 3 266.389 -0.284 20 0 CBADHO [NH3+]CCN1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172148578 820385054 /nfs/dbraw/zinc/38/50/54/820385054.db2.gz AVCJCQUOAFXLSR-STQMWFEESA-N 1 3 266.389 -0.284 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001174690999 820415014 /nfs/dbraw/zinc/41/50/14/820415014.db2.gz GKWKBZZCSCOTSW-UHFFFAOYSA-N 1 3 291.359 -0.352 20 0 CBADHO CCn1nncc1CNCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072418 820438950 /nfs/dbraw/zinc/43/89/50/820438950.db2.gz SMFVRHXZQPXGEW-LBPRGKRZSA-N 1 3 294.403 -0.154 20 0 CBADHO CCn1nncc1CNCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072418 820438953 /nfs/dbraw/zinc/43/89/53/820438953.db2.gz SMFVRHXZQPXGEW-LBPRGKRZSA-N 1 3 294.403 -0.154 20 0 CBADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072592 820438968 /nfs/dbraw/zinc/43/89/68/820438968.db2.gz ZPOJEXRVTKRDGN-LLVKDONJSA-N 1 3 280.376 -0.637 20 0 CBADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072592 820438970 /nfs/dbraw/zinc/43/89/70/820438970.db2.gz ZPOJEXRVTKRDGN-LLVKDONJSA-N 1 3 280.376 -0.637 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176975424 820484008 /nfs/dbraw/zinc/48/40/08/820484008.db2.gz QIMXTQCUBMZAKH-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176972028 820484213 /nfs/dbraw/zinc/48/42/13/820484213.db2.gz LDXWVLZHWYEZOP-NSHDSACASA-N 1 3 270.377 -0.689 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356768 820576925 /nfs/dbraw/zinc/57/69/25/820576925.db2.gz RFPNNGNPHIHYSV-CRWXNKLISA-N 1 3 299.415 -0.333 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356179 820577649 /nfs/dbraw/zinc/57/76/49/820577649.db2.gz JABUBTXTZXDPTQ-SRVKXCTJSA-N 1 3 282.388 -0.594 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC(N[C@@H]3CCOC3)C2)CC1 ZINC001179007798 820613720 /nfs/dbraw/zinc/61/37/20/820613720.db2.gz CRRPRBBXUPNGLG-LLVKDONJSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179435770 820627527 /nfs/dbraw/zinc/62/75/27/820627527.db2.gz WASKUQFFNCKZDK-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179482053 820630747 /nfs/dbraw/zinc/63/07/47/820630747.db2.gz QDKZBUNQLXRBBT-SRVKXCTJSA-N 1 3 282.388 -0.594 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179967542 820646794 /nfs/dbraw/zinc/64/67/94/820646794.db2.gz FMERHIVNZXWRGR-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124606 820650682 /nfs/dbraw/zinc/65/06/82/820650682.db2.gz KPJSOVAEOUGOMR-AVGNSLFASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124606 820650689 /nfs/dbraw/zinc/65/06/89/820650689.db2.gz KPJSOVAEOUGOMR-AVGNSLFASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001180132033 820652639 /nfs/dbraw/zinc/65/26/39/820652639.db2.gz SVLQNFSXWYWLSL-KBPBESRZSA-N 1 3 299.415 -0.330 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001180226639 820654845 /nfs/dbraw/zinc/65/48/45/820654845.db2.gz DQEFVMUHIMRXFH-STQMWFEESA-N 1 3 298.431 -0.006 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653332 820807673 /nfs/dbraw/zinc/80/76/73/820807673.db2.gz XXIGNSHLNHUDEG-JHJVBQTASA-N 1 3 285.388 -0.722 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651340 820808014 /nfs/dbraw/zinc/80/80/14/820808014.db2.gz BFHIYAVQKIKKQD-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]21 ZINC001182032776 820854920 /nfs/dbraw/zinc/85/49/20/820854920.db2.gz IWESFODNXYESKG-QWHCGFSZSA-N 1 3 281.400 -0.004 20 0 CBADHO CN(C)C1(C)CN(C(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182032235 820855082 /nfs/dbraw/zinc/85/50/82/820855082.db2.gz HGIJAEFPDZVMEX-UHFFFAOYSA-N 1 3 255.362 -0.394 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289429 820989419 /nfs/dbraw/zinc/98/94/19/820989419.db2.gz XMSAVXPEGUIDQQ-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001183582080 821007427 /nfs/dbraw/zinc/00/74/27/821007427.db2.gz RQGIZGPYLNETLX-QJPTWQEYSA-N 1 3 284.404 -0.348 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC(=O)N1C ZINC001184339330 821070788 /nfs/dbraw/zinc/07/07/88/821070788.db2.gz ZJGDTTIADNVCPB-JTQLQIEISA-N 1 3 283.376 -0.329 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184800437 821086416 /nfs/dbraw/zinc/08/64/16/821086416.db2.gz WGZCOGYLBAGAOY-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO COc1cc[nH]c(=O)c1C(=O)N(CCCC[NH3+])C(=N)N ZINC001185108680 821098734 /nfs/dbraw/zinc/09/87/34/821098734.db2.gz CLGFGOWFVYOUJV-UHFFFAOYSA-N 1 3 281.316 -0.130 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185230167 821103212 /nfs/dbraw/zinc/10/32/12/821103212.db2.gz OGWXZBMCXYYVRW-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185222429 821103738 /nfs/dbraw/zinc/10/37/38/821103738.db2.gz VNLBKTPCANMRJE-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001185249426 821112589 /nfs/dbraw/zinc/11/25/89/821112589.db2.gz XCMCBKJXWSPNMM-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001185401173 821127942 /nfs/dbraw/zinc/12/79/42/821127942.db2.gz LRXUDLHMPKKMAS-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185651349 821136312 /nfs/dbraw/zinc/13/63/12/821136312.db2.gz YPRWYAUEWYVBFZ-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659667 821137899 /nfs/dbraw/zinc/13/78/99/821137899.db2.gz NZBTWDHAIWXYHO-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659667 821137905 /nfs/dbraw/zinc/13/79/05/821137905.db2.gz NZBTWDHAIWXYHO-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001185716202 821140014 /nfs/dbraw/zinc/14/00/14/821140014.db2.gz RQGIZGPYLNETLX-UTUOFQBUSA-N 1 3 284.404 -0.348 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083246 821169274 /nfs/dbraw/zinc/16/92/74/821169274.db2.gz WZJAZHLSJIEZMR-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001186825070 821198825 /nfs/dbraw/zinc/19/88/25/821198825.db2.gz XXZLJPJVGMRWFY-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001186825070 821198834 /nfs/dbraw/zinc/19/88/34/821198834.db2.gz XXZLJPJVGMRWFY-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001186834478 821200172 /nfs/dbraw/zinc/20/01/72/821200172.db2.gz PCYDQMZFJXAYEM-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001186834478 821200183 /nfs/dbraw/zinc/20/01/83/821200183.db2.gz PCYDQMZFJXAYEM-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187220388 821218164 /nfs/dbraw/zinc/21/81/64/821218164.db2.gz HBCDINRWYRVOFY-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001187230810 821220227 /nfs/dbraw/zinc/22/02/27/821220227.db2.gz DQEQQSCRQBZGQL-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001187299210 822264458 /nfs/dbraw/zinc/26/44/58/822264458.db2.gz WMABOOHFNGXION-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001187299210 822264463 /nfs/dbraw/zinc/26/44/63/822264463.db2.gz WMABOOHFNGXION-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001281642434 828421876 /nfs/dbraw/zinc/42/18/76/828421876.db2.gz IVFSFIBUWBSYPR-LBPRGKRZSA-N 1 3 287.379 -0.149 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001281642434 828421879 /nfs/dbraw/zinc/42/18/79/828421879.db2.gz IVFSFIBUWBSYPR-LBPRGKRZSA-N 1 3 287.379 -0.149 20 0 CBADHO CC[C@H](C(=O)NCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001283086645 828495792 /nfs/dbraw/zinc/49/57/92/828495792.db2.gz OZRMOPADBRUVAY-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001192948235 823993291 /nfs/dbraw/zinc/99/32/91/823993291.db2.gz QXYRWVWRTZPUMO-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192948235 823993295 /nfs/dbraw/zinc/99/32/95/823993295.db2.gz QXYRWVWRTZPUMO-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039195 824055965 /nfs/dbraw/zinc/05/59/65/824055965.db2.gz LJXQLUOZTPYNNN-KBPBESRZSA-N 1 3 299.415 -0.378 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039195 824055971 /nfs/dbraw/zinc/05/59/71/824055971.db2.gz LJXQLUOZTPYNNN-KBPBESRZSA-N 1 3 299.415 -0.378 20 0 CBADHO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036704 824056958 /nfs/dbraw/zinc/05/69/58/824056958.db2.gz COOGCNBJCYJSAO-AWEZNQCLSA-N 1 3 299.415 -0.376 20 0 CBADHO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036704 824056966 /nfs/dbraw/zinc/05/69/66/824056966.db2.gz COOGCNBJCYJSAO-AWEZNQCLSA-N 1 3 299.415 -0.376 20 0 CBADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039200 824057178 /nfs/dbraw/zinc/05/71/78/824057178.db2.gz LJXQLUOZTPYNNN-UONOGXRCSA-N 1 3 299.415 -0.378 20 0 CBADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039200 824057187 /nfs/dbraw/zinc/05/71/87/824057187.db2.gz LJXQLUOZTPYNNN-UONOGXRCSA-N 1 3 299.415 -0.378 20 0 CBADHO COC(=O)c1cc(C(=O)N(CCCC[NH3+])C(=N)N)[nH]n1 ZINC001194294482 824069276 /nfs/dbraw/zinc/06/92/76/824069276.db2.gz NRSJTKXVULYFHZ-UHFFFAOYSA-N 1 3 282.304 -0.729 20 0 CBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871144 824135268 /nfs/dbraw/zinc/13/52/68/824135268.db2.gz LZVVZKFRQLSFAH-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319356 824188283 /nfs/dbraw/zinc/18/82/83/824188283.db2.gz BCBNLIOPYUMRII-ZIAGYGMSSA-N 1 3 299.415 -0.333 20 0 CBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097399 824218628 /nfs/dbraw/zinc/21/86/28/824218628.db2.gz ACDNCQCWLOTEJV-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097399 824218633 /nfs/dbraw/zinc/21/86/33/824218633.db2.gz ACDNCQCWLOTEJV-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc(CCO)ccn1 ZINC001199764070 824286526 /nfs/dbraw/zinc/28/65/26/824286526.db2.gz OYFNUDUBZDWZKO-UHFFFAOYSA-N 1 3 279.344 -0.309 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001199787872 824288113 /nfs/dbraw/zinc/28/81/13/824288113.db2.gz GJGQPVQATCQSKD-AWEZNQCLSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788754 824289403 /nfs/dbraw/zinc/28/94/03/824289403.db2.gz YZSSBQPCNQZIQV-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038008 824326950 /nfs/dbraw/zinc/32/69/50/824326950.db2.gz RONIESINSDRAQK-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201931209 824339192 /nfs/dbraw/zinc/33/91/92/824339192.db2.gz JCKMGFGOBLOESP-ZDUSSCGKSA-N 1 3 287.404 -0.472 20 0 CBADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001203442994 824362246 /nfs/dbraw/zinc/36/22/46/824362246.db2.gz OYLCHPWYBVJKFA-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203924563 824363779 /nfs/dbraw/zinc/36/37/79/824363779.db2.gz CVNYKRPYHKMEQI-UHFFFAOYSA-N 1 3 270.377 -0.608 20 0 CBADHO N[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C1 ZINC001204882983 824372600 /nfs/dbraw/zinc/37/26/00/824372600.db2.gz ZKDOOLZAFGXOSJ-CQSZACIVSA-N 1 3 286.339 -0.075 20 0 CBADHO Nc1ncc(CN2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205220058 824376362 /nfs/dbraw/zinc/37/63/62/824376362.db2.gz JPMSPNBZOWTBJD-LBPRGKRZSA-N 1 3 251.334 -0.266 20 0 CBADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CCC1 ZINC001205457906 824379190 /nfs/dbraw/zinc/37/91/90/824379190.db2.gz VVPFKOFQOUUOCA-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CC1 ZINC001205461541 824379285 /nfs/dbraw/zinc/37/92/85/824379285.db2.gz MNLKZAVCIBCFTJ-CQSZACIVSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206274574 824396529 /nfs/dbraw/zinc/39/65/29/824396529.db2.gz JTOJYKUQTYDZKL-GFCCVEGCSA-N 1 3 296.415 -0.358 20 0 CBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206952150 824414150 /nfs/dbraw/zinc/41/41/50/824414150.db2.gz ALINGLXDMJNJRI-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684212 824434358 /nfs/dbraw/zinc/43/43/58/824434358.db2.gz KNUUJWUGHJMKOU-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335673 824451065 /nfs/dbraw/zinc/45/10/65/824451065.db2.gz XYNLMJOXNMYGPB-JSGCOSHPSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209278291 824465790 /nfs/dbraw/zinc/46/57/90/824465790.db2.gz ODBOGVIKXTVCHX-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001209322922 824468570 /nfs/dbraw/zinc/46/85/70/824468570.db2.gz BORMYRMSPDFPLZ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315799 824468638 /nfs/dbraw/zinc/46/86/38/824468638.db2.gz UEFXIIKHLGUHBS-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303510 824468813 /nfs/dbraw/zinc/46/88/13/824468813.db2.gz KUAFPYVXFIYZOB-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447090 824471858 /nfs/dbraw/zinc/47/18/58/824471858.db2.gz WXHRHERUQDKPFK-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454574 824471998 /nfs/dbraw/zinc/47/19/98/824471998.db2.gz MHKOOAWWOCFQDH-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454466 824472114 /nfs/dbraw/zinc/47/21/14/824472114.db2.gz LRORKHAKHAKBQW-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454623 824472358 /nfs/dbraw/zinc/47/23/58/824472358.db2.gz MTHAKRXBTGPQRE-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209632144 824473424 /nfs/dbraw/zinc/47/34/24/824473424.db2.gz KGGYWLULCDOGAH-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209838019 824476119 /nfs/dbraw/zinc/47/61/19/824476119.db2.gz VMRQAZHRUBZVAP-WCQYABFASA-N 1 3 296.371 -0.460 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209838020 824476617 /nfs/dbraw/zinc/47/66/17/824476617.db2.gz VMRQAZHRUBZVAP-YPMHNXCESA-N 1 3 296.371 -0.460 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463220 824541709 /nfs/dbraw/zinc/54/17/09/824541709.db2.gz MYVXUMYEYMUHBL-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536901 824543932 /nfs/dbraw/zinc/54/39/32/824543932.db2.gz YMQXSAZFULDMCD-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215993812 824545634 /nfs/dbraw/zinc/54/56/34/824545634.db2.gz FRNPXHMHRUCIGM-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001215998848 824545904 /nfs/dbraw/zinc/54/59/04/824545904.db2.gz FIVXSNZUTBSLCO-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO c1cc(O[C@@H]2CN3C[C@H]2NCC3)nc2c1CC[NH2+]CC2 ZINC001218108592 824563766 /nfs/dbraw/zinc/56/37/66/824563766.db2.gz JSRJKDFNLXMNCO-ZIAGYGMSSA-N 1 3 274.368 -0.195 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC001218178555 824564941 /nfs/dbraw/zinc/56/49/41/824564941.db2.gz XZDHWAYGSBZWBU-OLZOCXBDSA-N 1 3 279.340 -0.591 20 0 CBADHO Cn1cnc(NC(=O)[C@@H](N)CCCC[NH+](C)C)n1 ZINC001218503308 824573592 /nfs/dbraw/zinc/57/35/92/824573592.db2.gz FRMRLEFKXRXBSJ-VIFPVBQESA-N 1 3 254.338 -0.187 20 0 CBADHO COC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218508837 824575503 /nfs/dbraw/zinc/57/55/03/824575503.db2.gz FAVYJYNTAHUVCS-SNVBAGLBSA-N 1 3 290.323 -0.384 20 0 CBADHO CN(C)c1ccncc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001218562828 824591400 /nfs/dbraw/zinc/59/14/00/824591400.db2.gz CFKQDLNTHUEOHP-QWRGUYRKSA-N 1 3 250.302 -0.191 20 0 CBADHO Cc1nc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc(=O)[n-]1 ZINC001218565361 824593196 /nfs/dbraw/zinc/59/31/96/824593196.db2.gz VEWBQWKJSITYNO-LLVKDONJSA-N 1 3 265.317 -0.244 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1noc2nccnc12 ZINC001218574296 824597528 /nfs/dbraw/zinc/59/75/28/824597528.db2.gz QGWHVLGKQZGVGF-ZCFIWIBFSA-N 1 3 250.262 -0.378 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ncn1 ZINC001218609578 824603777 /nfs/dbraw/zinc/60/37/77/824603777.db2.gz HWYCBKHOEAMPQT-VIFPVBQESA-N 1 3 290.327 -0.818 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)n1cc(N)c(N)n1 ZINC001218626409 824607825 /nfs/dbraw/zinc/60/78/25/824607825.db2.gz IJKZDCGJJAXCEA-QMMMGPOBSA-N 1 3 254.338 -0.253 20 0 CBADHO COc1nc(Cl)ncc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218634772 824610257 /nfs/dbraw/zinc/61/02/57/824610257.db2.gz NGJZVUFCMRJPGB-ZETCQYMHSA-N 1 3 297.746 -0.114 20 0 CBADHO COC(=O)c1onc(C)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218635911 824611423 /nfs/dbraw/zinc/61/14/23/824611423.db2.gz LFBUZJYHAGTKMO-ZETCQYMHSA-N 1 3 270.289 -0.226 20 0 CBADHO COC(=O)c1onc(C)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218635905 824612173 /nfs/dbraw/zinc/61/21/73/824612173.db2.gz LFBUZJYHAGTKMO-SSDOTTSWSA-N 1 3 270.289 -0.226 20 0 CBADHO COc1ncnc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1OC ZINC001218653462 824616797 /nfs/dbraw/zinc/61/67/97/824616797.db2.gz SNYFOGVIZNLXQC-SECBINFHSA-N 1 3 295.343 -0.241 20 0 CBADHO COc1ncnc(NC(=O)[C@H](N)CCC[NH3+])c1OC ZINC001218653676 824617447 /nfs/dbraw/zinc/61/74/47/824617447.db2.gz XVNNUKWXHMMHIY-SSDOTTSWSA-N 1 3 269.305 -0.502 20 0 CBADHO CCOc1cc(N)n(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)c(=N)n1 ZINC001218680600 824621503 /nfs/dbraw/zinc/62/15/03/824621503.db2.gz CYUOAVTZGBWYJB-RBDZCENOSA-N 1 3 292.343 -0.795 20 0 CBADHO Cc1nnc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccn12 ZINC001218699141 824623213 /nfs/dbraw/zinc/62/32/13/824623213.db2.gz DGZFPMKRUHGFDM-LLVKDONJSA-N 1 3 286.339 -0.215 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704367 824626286 /nfs/dbraw/zinc/62/62/86/824626286.db2.gz PMAFMLUVXMVXKT-NSHDSACASA-N 1 3 260.301 -0.228 20 0 CBADHO CCOC(=O)c1nc(NC(=O)[C@H](N)CCC[NH3+])cn1C ZINC001218707967 824626373 /nfs/dbraw/zinc/62/63/73/824626373.db2.gz WGOIJJPIBVLABV-MRVPVSSYSA-N 1 3 283.332 -0.399 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218712202 824627691 /nfs/dbraw/zinc/62/76/91/824627691.db2.gz NSMYKBQPOJZKKR-NRPADANISA-N 1 3 266.301 -0.382 20 0 CBADHO NC[C@H](N)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724183 824629279 /nfs/dbraw/zinc/62/92/79/824629279.db2.gz FGIUDWIFNPSGQK-NSHDSACASA-N 1 3 278.360 -0.766 20 0 CBADHO CCN=c1ncc(N)cn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218739549 824630846 /nfs/dbraw/zinc/63/08/46/824630846.db2.gz FCYSZJHFGGGIBE-QMTHXVAHSA-N 1 3 290.371 -0.775 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218743714 824631369 /nfs/dbraw/zinc/63/13/69/824631369.db2.gz XHCUUAOUKGFSGY-SNVBAGLBSA-N 1 3 298.778 -0.384 20 0 CBADHO O=C(Nc1cn(CCF)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001218743466 824631852 /nfs/dbraw/zinc/63/18/52/824631852.db2.gz UAXLJFLFPUBKRI-SECBINFHSA-N 1 3 267.308 -0.400 20 0 CBADHO O=C(Nc1cn(CCF)cn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218743462 824632341 /nfs/dbraw/zinc/63/23/41/824632341.db2.gz TYLKNRLGWXITQN-ZWNOBZJWSA-N 1 3 281.335 -0.010 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@H]([NH3+])CCC[NH3+])[n-]1 ZINC001218763736 824636476 /nfs/dbraw/zinc/63/64/76/824636476.db2.gz HEIWMYZKHPRLNE-SSDOTTSWSA-N 1 3 269.305 -0.409 20 0 CBADHO N[C@@H](C(=O)Nc1cnn2c1OCCC2)C1CC[NH2+]CC1 ZINC001218793989 824639282 /nfs/dbraw/zinc/63/92/82/824639282.db2.gz JUOSNCNCNMIUMC-LLVKDONJSA-N 1 3 279.344 -0.069 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025566 824652277 /nfs/dbraw/zinc/65/22/77/824652277.db2.gz MEYNAXBHQBDRLW-NSHDSACASA-N 1 3 265.313 -0.183 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219028069 824654857 /nfs/dbraw/zinc/65/48/57/824654857.db2.gz OEBOZBCOKHIZBF-NSHDSACASA-N 1 3 264.329 -0.217 20 0 CBADHO Nc1cccc2c1N(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001219439877 824710249 /nfs/dbraw/zinc/71/02/49/824710249.db2.gz NHMJWYYRLHLSEI-LLVKDONJSA-N 1 3 272.352 -0.033 20 0 CBADHO O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@H]1CNCCN1 ZINC001219537323 824723375 /nfs/dbraw/zinc/72/33/75/824723375.db2.gz KZCFOMATUSEBNO-UFGOTCBOSA-N 1 3 288.351 -0.366 20 0 CBADHO O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@H]1CNCCN1 ZINC001219537321 824723552 /nfs/dbraw/zinc/72/35/52/824723552.db2.gz KZCFOMATUSEBNO-NDMJEZRESA-N 1 3 288.351 -0.366 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCNC(N)=O)C[NH2+]1 ZINC001219582331 824736520 /nfs/dbraw/zinc/73/65/20/824736520.db2.gz BHQHSNJLOBJUTJ-GUBZILKMSA-N 1 3 271.365 -0.981 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H](O)c1ccco1 ZINC001219604072 824849660 /nfs/dbraw/zinc/84/96/60/824849660.db2.gz ISVIJSLXTGDBNS-IUCAKERBSA-N 1 3 273.358 -0.552 20 0 CBADHO O=C(NC[C@@H](O)c1ccco1)[C@H]1C[NH2+]CC12CNC2 ZINC001219604355 824851179 /nfs/dbraw/zinc/85/11/79/824851179.db2.gz NEOWAOGXYVXIOS-NXEZZACHSA-N 1 3 265.313 -0.762 20 0 CBADHO O=C(NC[C@@H](O)c1ccco1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219604360 824851580 /nfs/dbraw/zinc/85/15/80/824851580.db2.gz NEOWAOGXYVXIOS-VHSXEESVSA-N 1 3 265.313 -0.762 20 0 CBADHO C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219633782 824867714 /nfs/dbraw/zinc/86/77/14/824867714.db2.gz DWGVXMZNHWNCDX-VWYCJHECSA-N 1 3 253.346 -0.663 20 0 CBADHO Cn1cnc(CCNC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001219634406 824868188 /nfs/dbraw/zinc/86/81/88/824868188.db2.gz WTMOMQXUBWYVEH-JTQLQIEISA-N 1 3 271.390 -0.902 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219648966 824873036 /nfs/dbraw/zinc/87/30/36/824873036.db2.gz CRQFRQLYCSLSQQ-VPOLOUISSA-N 1 3 270.377 -0.800 20 0 CBADHO CN1CCO[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219695770 824881570 /nfs/dbraw/zinc/88/15/70/824881570.db2.gz YAVXKSMSMADVPK-CHWSQXEVSA-N 1 3 296.415 -0.693 20 0 CBADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719929 824886204 /nfs/dbraw/zinc/88/62/04/824886204.db2.gz AOKAMFGQVXJXHH-SCRDCRAPSA-N 1 3 281.331 -0.072 20 0 CBADHO NC1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC1 ZINC001219741433 824888165 /nfs/dbraw/zinc/88/81/65/824888165.db2.gz KMWSIHIYUPCHCC-JTQLQIEISA-N 1 3 253.346 -0.105 20 0 CBADHO NC1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC1 ZINC001219741434 824888812 /nfs/dbraw/zinc/88/88/12/824888812.db2.gz KMWSIHIYUPCHCC-SNVBAGLBSA-N 1 3 253.346 -0.105 20 0 CBADHO CN[C@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)[C@@H](C)O ZINC001219777159 824893347 /nfs/dbraw/zinc/89/33/47/824893347.db2.gz ANBSOZXSFXQVRE-KOLCDFICSA-N 1 3 255.362 -0.396 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800936 824896141 /nfs/dbraw/zinc/89/61/41/824896141.db2.gz PDUXSADUYVEPDP-CMPLNLGQSA-N 1 3 293.371 -0.836 20 0 CBADHO C[C@]1(C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)CC[NH2+]C1 ZINC001219849524 824902840 /nfs/dbraw/zinc/90/28/40/824902840.db2.gz CGDVMZYIZRXGNE-KQXIARHKSA-N 1 3 253.346 -0.378 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850596 824902853 /nfs/dbraw/zinc/90/28/53/824902853.db2.gz YLTRJSQYJXFSMN-XYJRDEOASA-N 1 3 293.371 -0.980 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850596 824902857 /nfs/dbraw/zinc/90/28/57/824902857.db2.gz YLTRJSQYJXFSMN-XYJRDEOASA-N 1 3 293.371 -0.980 20 0 CBADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219865191 824904206 /nfs/dbraw/zinc/90/42/06/824904206.db2.gz FGQKPPGPTCFMIB-MELADBBJSA-N 1 3 287.363 -0.430 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC001219868758 824905736 /nfs/dbraw/zinc/90/57/36/824905736.db2.gz POGOXYPUQDXFDN-RYUDHWBXSA-N 1 3 286.420 -0.034 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219880687 824907067 /nfs/dbraw/zinc/90/70/67/824907067.db2.gz GXQZIVWYHLSYOU-VHSXEESVSA-N 1 3 269.345 -0.748 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001219880713 824907721 /nfs/dbraw/zinc/90/77/21/824907721.db2.gz HKGKAUGRRLKVKY-IUCAKERBSA-N 1 3 277.390 -0.538 20 0 CBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219883248 824909642 /nfs/dbraw/zinc/90/96/42/824909642.db2.gz SKXOIVRGRSIRGW-HBNTYKKESA-N 1 3 255.362 -0.681 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219917967 824914892 /nfs/dbraw/zinc/91/48/92/824914892.db2.gz ACQSEHOAXZAZRC-WCQYABFASA-N 1 3 281.356 -0.391 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[NH2+]CCO ZINC001219918554 824915009 /nfs/dbraw/zinc/91/50/09/824915009.db2.gz NCDOTHLMNXFQOG-JTQLQIEISA-N 1 3 289.376 -0.996 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219917965 824915207 /nfs/dbraw/zinc/91/52/07/824915207.db2.gz ACQSEHOAXZAZRC-AAEUAGOBSA-N 1 3 281.356 -0.391 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1C[NH2+]CC12CNC2 ZINC001219924930 824916269 /nfs/dbraw/zinc/91/62/69/824916269.db2.gz CAUJXAGEKNEKRT-QWHCGFSZSA-N 1 3 287.363 -0.085 20 0 CBADHO Cc1nccn1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001219934726 824916591 /nfs/dbraw/zinc/91/65/91/824916591.db2.gz JRFITWMHELNEHF-ZDUSSCGKSA-N 1 3 294.403 -0.942 20 0 CBADHO Cc1nccn1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219934988 824916717 /nfs/dbraw/zinc/91/67/17/824916717.db2.gz WNCLJUXIRGXNCE-TZMCWYRMSA-N 1 3 277.372 -0.493 20 0 CBADHO Nc1ccccc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219927462 824917266 /nfs/dbraw/zinc/91/72/66/824917266.db2.gz NGCCWLBWUXLJRG-NSHDSACASA-N 1 3 268.386 -0.096 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219939252 824918876 /nfs/dbraw/zinc/91/88/76/824918876.db2.gz YAKCGGQYVNLMHC-LBPRGKRZSA-N 1 3 293.371 -0.616 20 0 CBADHO [NH3+]CCCC[C@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219970333 824926429 /nfs/dbraw/zinc/92/64/29/824926429.db2.gz YKMFZVIOAOFJBY-UWVGGRQHSA-N 1 3 269.349 -0.929 20 0 CBADHO N[C@@H](C(=O)NCC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC001219976117 824927995 /nfs/dbraw/zinc/92/79/95/824927995.db2.gz AXOGFPRGZYTLND-CYBMUJFWSA-N 1 3 282.388 -0.512 20 0 CBADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219978073 824928340 /nfs/dbraw/zinc/92/83/40/824928340.db2.gz CBXKBHIHSJRLMF-OLZOCXBDSA-N 1 3 296.415 -0.835 20 0 CBADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219978073 824928343 /nfs/dbraw/zinc/92/83/43/824928343.db2.gz CBXKBHIHSJRLMF-OLZOCXBDSA-N 1 3 296.415 -0.835 20 0 CBADHO O=C(NCc1cnc2[nH]ccc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220012911 824934434 /nfs/dbraw/zinc/93/44/34/824934434.db2.gz DULSNTRXCDVQIN-LBPRGKRZSA-N 1 3 285.351 -0.012 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220018764 824935093 /nfs/dbraw/zinc/93/50/93/824935093.db2.gz SAFUAUWSBSYHGK-JTQLQIEISA-N 1 3 259.350 -0.900 20 0 CBADHO N=c1cc(C[NH3+])ncn1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220020507 824935910 /nfs/dbraw/zinc/93/59/10/824935910.db2.gz LIYFQBAWZJZSMF-VCJLRHCSSA-N 1 3 279.344 -0.660 20 0 CBADHO CC(C)(CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(N)=O ZINC001220034434 824939107 /nfs/dbraw/zinc/93/91/07/824939107.db2.gz YJKVJHIZXOEMHQ-JTQLQIEISA-N 1 3 282.388 -0.512 20 0 CBADHO CC(C)(CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(N)=O ZINC001220034434 824939111 /nfs/dbraw/zinc/93/91/11/824939111.db2.gz YJKVJHIZXOEMHQ-JTQLQIEISA-N 1 3 282.388 -0.512 20 0 CBADHO O=C(NCc1ccncc1F)[C@H]1C[NH2+]CC12CNC2 ZINC001220035924 824941262 /nfs/dbraw/zinc/94/12/62/824941262.db2.gz HVNZLPBOGOHZSC-SNVBAGLBSA-N 1 3 264.304 -0.354 20 0 CBADHO N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220045284 824943425 /nfs/dbraw/zinc/94/34/25/824943425.db2.gz TUHAQSCTKOCZBI-XIVSLSHWSA-N 1 3 278.356 -0.055 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[NH2+]C ZINC001220053102 824945331 /nfs/dbraw/zinc/94/53/31/824945331.db2.gz SSUNHKNFQVFEQR-VIFPVBQESA-N 1 3 259.350 -0.358 20 0 CBADHO C[NH2+]CCNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001220052814 824945935 /nfs/dbraw/zinc/94/59/35/824945935.db2.gz DNXHYRHFWPNTHH-UWVGGRQHSA-N 1 3 258.366 -0.800 20 0 CBADHO CCCCOC(=O)[C@H](C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220049972 824945956 /nfs/dbraw/zinc/94/59/56/824945956.db2.gz WHBAUQDUEJKINH-UWVGGRQHSA-N 1 3 259.350 -0.099 20 0 CBADHO C[NH2+]CCNC(=O)C[C@H](N)c1ccc(OC)nc1 ZINC001220051298 824945974 /nfs/dbraw/zinc/94/59/74/824945974.db2.gz UAGYGFLFMOCKIW-JTQLQIEISA-N 1 3 252.318 -0.184 20 0 CBADHO COCC1(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCC1 ZINC001220064292 824949111 /nfs/dbraw/zinc/94/91/11/824949111.db2.gz YZZHRMSFGCJRSC-SNVBAGLBSA-N 1 3 253.346 -0.519 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1cc[nH]n1 ZINC001220062358 824949383 /nfs/dbraw/zinc/94/93/83/824949383.db2.gz VYUUGEIZDROGSI-VIFPVBQESA-N 1 3 257.363 -0.912 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220064135 824949411 /nfs/dbraw/zinc/94/94/11/824949411.db2.gz SDOMQMAOKVZUSY-QMMMGPOBSA-N 1 3 281.316 -0.712 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220071536 824950684 /nfs/dbraw/zinc/95/06/84/824950684.db2.gz HXGWDYFURYSQSG-IUODEOHRSA-N 1 3 289.383 -0.212 20 0 CBADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220096664 824952577 /nfs/dbraw/zinc/95/25/77/824952577.db2.gz GZCZIKYWMJCHFG-ZETCQYMHSA-N 1 3 267.276 -0.633 20 0 CBADHO CCC(CO)(CO)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220111301 824958531 /nfs/dbraw/zinc/95/85/31/824958531.db2.gz PISXCKMVGUZDBN-LBPRGKRZSA-N 1 3 289.420 -0.268 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220115201 824958879 /nfs/dbraw/zinc/95/88/79/824958879.db2.gz JHZOMVNDDMKWOO-DGCLKSJQSA-N 1 3 281.356 -0.522 20 0 CBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220125065 824962015 /nfs/dbraw/zinc/96/20/15/824962015.db2.gz WVCZGODOKLJJPK-VIFPVBQESA-N 1 3 265.317 -0.244 20 0 CBADHO O=C(NCc1cccc(F)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001220124953 824962401 /nfs/dbraw/zinc/96/24/01/824962401.db2.gz RLJWBRJRPOMXJU-SNVBAGLBSA-N 1 3 264.304 -0.354 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220140788 824965146 /nfs/dbraw/zinc/96/51/46/824965146.db2.gz AXKQTIZENZTIFX-JHJVBQTASA-N 1 3 297.399 -0.219 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220140788 824965153 /nfs/dbraw/zinc/96/51/53/824965153.db2.gz AXKQTIZENZTIFX-JHJVBQTASA-N 1 3 297.399 -0.219 20 0 CBADHO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001220141740 824966368 /nfs/dbraw/zinc/96/63/68/824966368.db2.gz UEMBMGJEPYNZQO-DCAQKATOSA-N 1 3 289.401 -0.995 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148188 824969516 /nfs/dbraw/zinc/96/95/16/824969516.db2.gz PISHWUCAIVNZQX-JTQLQIEISA-N 1 3 252.318 -0.140 20 0 CBADHO N=C(NC(=O)[C@H](N)C1CC[NH2+]CC1)c1nccs1 ZINC001220154533 824971079 /nfs/dbraw/zinc/97/10/79/824971079.db2.gz UJMAGPBBZFFNKU-MRVPVSSYSA-N 1 3 267.358 -0.088 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001220156920 824973278 /nfs/dbraw/zinc/97/32/78/824973278.db2.gz PWEWKQDPXOCRDO-WGBDABJCSA-N 1 3 252.362 -0.581 20 0 CBADHO Cc1ncc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001220177949 824978927 /nfs/dbraw/zinc/97/89/27/824978927.db2.gz WPBAJSQCWMEQST-LBPRGKRZSA-N 1 3 263.345 -0.272 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181431 824980438 /nfs/dbraw/zinc/98/04/38/824980438.db2.gz OOQHANMMAYWTRU-SRVKXCTJSA-N 1 3 273.377 -0.688 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cncnc1 ZINC001220183559 824981022 /nfs/dbraw/zinc/98/10/22/824981022.db2.gz SFTSWEHOGHAOOP-WPRPVWTQSA-N 1 3 269.374 -0.327 20 0 CBADHO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cncnc1 ZINC001220183728 824981764 /nfs/dbraw/zinc/98/17/64/824981764.db2.gz XUOCNKLWLBTQKW-ZKYQVNSYSA-N 1 3 275.356 -0.147 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220186790 824983572 /nfs/dbraw/zinc/98/35/72/824983572.db2.gz VFLXVLLZSZKNDJ-ZJUUUORDSA-N 1 3 278.347 -0.196 20 0 CBADHO CCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229122 824990306 /nfs/dbraw/zinc/99/03/06/824990306.db2.gz NUTPVCWZCORIFE-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233861 824991766 /nfs/dbraw/zinc/99/17/66/824991766.db2.gz JRNNHTWZSRUZQR-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220251672 824994641 /nfs/dbraw/zinc/99/46/41/824994641.db2.gz BDCNEFHPLCOLBV-YPMHNXCESA-N 1 3 279.388 -0.110 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220251672 824994649 /nfs/dbraw/zinc/99/46/49/824994649.db2.gz BDCNEFHPLCOLBV-YPMHNXCESA-N 1 3 279.388 -0.110 20 0 CBADHO CN1C[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1=O ZINC001220245851 824994789 /nfs/dbraw/zinc/99/47/89/824994789.db2.gz WKWYVHKWKLYPJI-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO CN1C[C@H](CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1=O ZINC001220245851 824994791 /nfs/dbraw/zinc/99/47/91/824994791.db2.gz WKWYVHKWKLYPJI-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261028 824997815 /nfs/dbraw/zinc/99/78/15/824997815.db2.gz ORVIFKBRMZOVIP-QWRGUYRKSA-N 1 3 265.361 -0.161 20 0 CBADHO [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001220268447 824999256 /nfs/dbraw/zinc/99/92/56/824999256.db2.gz JFVIFPPSCDLXGU-LLVKDONJSA-N 1 3 289.343 -0.451 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCn1nnc2ccccc21 ZINC001220272480 825000796 /nfs/dbraw/zinc/00/07/96/825000796.db2.gz APHNQCFSSVOSSB-JTQLQIEISA-N 1 3 276.344 -0.386 20 0 CBADHO CC[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)OC ZINC001220276496 825003939 /nfs/dbraw/zinc/00/39/39/825003939.db2.gz COYHRSFTUSQZRA-UPJWGTAASA-N 1 3 287.404 -0.476 20 0 CBADHO C[C@H](F)CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276695 825004338 /nfs/dbraw/zinc/00/43/38/825004338.db2.gz IPBDKUWXVBNPTI-TUAOUCFPSA-N 1 3 275.368 -0.153 20 0 CBADHO O=C(NCc1cccc2n[nH]cc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220308494 825011437 /nfs/dbraw/zinc/01/14/37/825011437.db2.gz LJQNQMCCIQHIBR-GFCCVEGCSA-N 1 3 285.351 -0.012 20 0 CBADHO COc1ccc(CNC(=O)[C@@H](N)CSCC[NH3+])nn1 ZINC001220343231 825020208 /nfs/dbraw/zinc/02/02/08/825020208.db2.gz GJCBJQKQMRIMAL-VIFPVBQESA-N 1 3 285.373 -0.879 20 0 CBADHO C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cnccn1 ZINC001220369083 825021001 /nfs/dbraw/zinc/02/10/01/825021001.db2.gz SMEUISVCSDFPSK-BXKDBHETSA-N 1 3 263.345 -0.019 20 0 CBADHO O=C(NCc1ccc(Cl)nn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220368608 825021897 /nfs/dbraw/zinc/02/18/97/825021897.db2.gz IYOAABGXJRXHIF-NOZJJQNGSA-N 1 3 295.774 -0.055 20 0 CBADHO CCOC(=O)C1(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CCC1 ZINC001220370764 825021949 /nfs/dbraw/zinc/02/19/49/825021949.db2.gz CCVZUSFSEYCAEF-NSHDSACASA-N 1 3 295.383 -0.355 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)CN1CC[NH2+]CC1)CCC2 ZINC001220376895 825023977 /nfs/dbraw/zinc/02/39/77/825023977.db2.gz CGUXOEGSOQHASP-UHFFFAOYSA-N 1 3 289.383 -0.275 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@@]1(N)CCC[NH2+]C1)CCC2 ZINC001220377454 825024761 /nfs/dbraw/zinc/02/47/61/825024761.db2.gz YNXAJYYJHLPHRK-OAHLLOKOSA-N 1 3 289.383 -0.100 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)C1(N)CC[NH2+]CC1)CCC2 ZINC001220377471 825025373 /nfs/dbraw/zinc/02/53/73/825025373.db2.gz ZCQYNZRUAKBUSZ-UHFFFAOYSA-N 1 3 289.383 -0.100 20 0 CBADHO C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220385940 825026841 /nfs/dbraw/zinc/02/68/41/825026841.db2.gz DTFGQUWGBOQIDJ-XTZNXHDOSA-N 1 3 277.434 -0.071 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394260 825029150 /nfs/dbraw/zinc/02/91/50/825029150.db2.gz BMRDTLVNCSKHCM-GFCCVEGCSA-N 1 3 277.372 -0.118 20 0 CBADHO NC[C@H](N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429375 825037174 /nfs/dbraw/zinc/03/71/74/825037174.db2.gz QLELOFDETZGQRL-RFQIPJPRSA-N 1 3 274.368 -0.481 20 0 CBADHO NC[C@H](N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429375 825037182 /nfs/dbraw/zinc/03/71/82/825037182.db2.gz QLELOFDETZGQRL-RFQIPJPRSA-N 1 3 274.368 -0.481 20 0 CBADHO O=C(N[C@H](CO)C(F)(F)F)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220447707 825041022 /nfs/dbraw/zinc/04/10/22/825041022.db2.gz OCISRYAZKUHCIC-RKDXNWHRSA-N 1 3 295.305 -0.100 20 0 CBADHO O=C(N[C@H](CO)C(F)(F)F)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220447707 825041029 /nfs/dbraw/zinc/04/10/29/825041029.db2.gz OCISRYAZKUHCIC-RKDXNWHRSA-N 1 3 295.305 -0.100 20 0 CBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC[NH3+])C(C)C ZINC001220462834 825044081 /nfs/dbraw/zinc/04/40/81/825044081.db2.gz QGUAQJVQKIBFOF-QWRGUYRKSA-N 1 3 272.393 -0.282 20 0 CBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(C)C ZINC001220462737 825044295 /nfs/dbraw/zinc/04/42/95/825044295.db2.gz MAXUKLWISRSRCD-OLZOCXBDSA-N 1 3 298.431 -0.021 20 0 CBADHO Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220492020 825047458 /nfs/dbraw/zinc/04/74/58/825047458.db2.gz GGIJCUHJLIGPDJ-JTQLQIEISA-N 1 3 283.376 -0.071 20 0 CBADHO COC(C)(CNC(=O)[C@@H](N)C1CC[NH2+]CC1)OC ZINC001220508878 825051324 /nfs/dbraw/zinc/05/13/24/825051324.db2.gz BLKPXKLNCWTNDV-JTQLQIEISA-N 1 3 259.350 -0.562 20 0 CBADHO COC(C)(CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)OC ZINC001220509012 825051343 /nfs/dbraw/zinc/05/13/43/825051343.db2.gz HBOSCGFVJSTYTG-LLVKDONJSA-N 1 3 285.388 -0.014 20 0 CBADHO COC(C)(CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)OC ZINC001220509012 825051353 /nfs/dbraw/zinc/05/13/53/825051353.db2.gz HBOSCGFVJSTYTG-LLVKDONJSA-N 1 3 285.388 -0.014 20 0 CBADHO COC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)OC ZINC001220509227 825051948 /nfs/dbraw/zinc/05/19/48/825051948.db2.gz PNAXSOHKSKEICS-ZWNOBZJWSA-N 1 3 271.361 -0.689 20 0 CBADHO COC(C)(CNC(=O)[C@@H](N)CSCC[NH3+])OC ZINC001220508995 825052788 /nfs/dbraw/zinc/05/27/88/825052788.db2.gz GMWXXRJETWTKGY-QMMMGPOBSA-N 1 3 265.379 -0.869 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CC[NH2+]2)CCNC1 ZINC001220521281 825056710 /nfs/dbraw/zinc/05/67/10/825056710.db2.gz BDNKBHHLWGFGBY-JTQLQIEISA-N 1 3 253.302 -0.725 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C2)CCNC1 ZINC001220523136 825056735 /nfs/dbraw/zinc/05/67/35/825056735.db2.gz JPBIBDUIKLEPHZ-AWEZNQCLSA-N 1 3 281.356 -0.087 20 0 CBADHO O=C(NCc1nccc(Cl)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220529843 825059722 /nfs/dbraw/zinc/05/97/22/825059722.db2.gz JIUWTCLLXFHAIA-QMMMGPOBSA-N 1 3 281.747 -0.445 20 0 CBADHO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220566119 825064357 /nfs/dbraw/zinc/06/43/57/825064357.db2.gz ZSTBJXRFJWYEMB-USWWRNFRSA-N 1 3 255.362 -0.146 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCC[NH3+])C(F)(F)F ZINC001220588562 825071899 /nfs/dbraw/zinc/07/18/99/825071899.db2.gz VAESVSBLYDAFDN-NTSWFWBYSA-N 1 3 271.239 -0.727 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)C1=O ZINC001220591032 825074414 /nfs/dbraw/zinc/07/44/14/825074414.db2.gz UTVSZHAIOWGHOZ-WDEREUQCSA-N 1 3 268.361 -0.950 20 0 CBADHO O=C(N[C@@H]1CNc2ccccc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220599260 825076411 /nfs/dbraw/zinc/07/64/11/825076411.db2.gz QXOUDVXMKFGLGH-STQMWFEESA-N 1 3 286.379 -0.052 20 0 CBADHO Cn1nc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)c2ccccc21 ZINC001220632226 825078031 /nfs/dbraw/zinc/07/80/31/825078031.db2.gz OQPZJWWTHAIGDZ-GFCCVEGCSA-N 1 3 299.378 -0.002 20 0 CBADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220660210 825079235 /nfs/dbraw/zinc/07/92/35/825079235.db2.gz CIKFDKIZAWEGGH-UTUOFQBUSA-N 1 3 295.383 -0.357 20 0 CBADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCC[NH3+] ZINC001220661112 825082771 /nfs/dbraw/zinc/08/27/71/825082771.db2.gz SORBDESMGIUSOF-MXWKQRLJSA-N 1 3 271.361 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001220681733 825084239 /nfs/dbraw/zinc/08/42/39/825084239.db2.gz NDXFQVOBDWWFDX-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001220681733 825084247 /nfs/dbraw/zinc/08/42/47/825084247.db2.gz NDXFQVOBDWWFDX-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO Nc1ncc(CCNC(=O)[C@@H](N)CCCC[NH3+])s1 ZINC001220704853 825089118 /nfs/dbraw/zinc/08/91/18/825089118.db2.gz VCJHGKNPAOFGBK-VIFPVBQESA-N 1 3 271.390 -0.160 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220708843 825089360 /nfs/dbraw/zinc/08/93/60/825089360.db2.gz JEEAMGZROYCRKZ-IAQYHMDHSA-N 1 3 296.415 -0.394 20 0 CBADHO Nc1ncc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)s1 ZINC001220704382 825089942 /nfs/dbraw/zinc/08/99/42/825089942.db2.gz OYTZOYZEQFNQPJ-NOZJJQNGSA-N 1 3 295.412 -0.417 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220709491 825092004 /nfs/dbraw/zinc/09/20/04/825092004.db2.gz ZFYZJZPCBSYKEV-SNVBAGLBSA-N 1 3 282.388 -0.784 20 0 CBADHO COCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755470 825095078 /nfs/dbraw/zinc/09/50/78/825095078.db2.gz PLLRWOZFMDGIRP-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755470 825095086 /nfs/dbraw/zinc/09/50/86/825095086.db2.gz PLLRWOZFMDGIRP-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO COC(=O)c1cncc(CNC(=O)[C@H](N)CCC[NH3+])c1 ZINC001220843284 825110898 /nfs/dbraw/zinc/11/08/98/825110898.db2.gz QOHISMLEYHBGCX-LLVKDONJSA-N 1 3 280.328 -0.449 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220848779 825111280 /nfs/dbraw/zinc/11/12/80/825111280.db2.gz IVSBRWAMHHVRAH-GXSJLCMTSA-N 1 3 271.361 -0.371 20 0 CBADHO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])c2ccccc2)CNC1 ZINC001220851338 825112713 /nfs/dbraw/zinc/11/27/13/825112713.db2.gz REDNPYZDZXQQSK-NSHDSACASA-N 1 3 277.324 -0.292 20 0 CBADHO CCOC(=O)C1(NC(=O)[C@@H](N)c2ccccc2)C[NH2+]C1 ZINC001220851338 825112715 /nfs/dbraw/zinc/11/27/15/825112715.db2.gz REDNPYZDZXQQSK-NSHDSACASA-N 1 3 277.324 -0.292 20 0 CBADHO N[C@]1(C(=O)NCCc2cnc3cc[nH]cc2-3)CC[NH2+]C1 ZINC001220865863 825114778 /nfs/dbraw/zinc/11/47/78/825114778.db2.gz NAAOIQWDPKZINU-CQSZACIVSA-N 1 3 273.340 -0.088 20 0 CBADHO N[C@]1(C(=O)NCCc2c[nH]c3ccncc23)CC[NH2+]C1 ZINC001220865863 825114782 /nfs/dbraw/zinc/11/47/82/825114782.db2.gz NAAOIQWDPKZINU-CQSZACIVSA-N 1 3 273.340 -0.088 20 0 CBADHO O=C(NCc1cc2ccncc2[nH]1)[C@H]1C[NH2+]CC12CNC2 ZINC001220868855 825117097 /nfs/dbraw/zinc/11/70/97/825117097.db2.gz XDOMSCVNPMTBEE-GFCCVEGCSA-N 1 3 285.351 -0.012 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886724 825119836 /nfs/dbraw/zinc/11/98/36/825119836.db2.gz LDIMFFPJYXJMMX-SRVKXCTJSA-N 1 3 284.404 -0.267 20 0 CBADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CN)cc1 ZINC001220903367 825122826 /nfs/dbraw/zinc/12/28/26/825122826.db2.gz RPLYMPALPKQIKJ-ZDUSSCGKSA-N 1 3 264.373 -0.178 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220933824 825125606 /nfs/dbraw/zinc/12/56/06/825125606.db2.gz BBQHPCFMAVDGBY-VXGBXAGGSA-N 1 3 277.372 -0.157 20 0 CBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H](N)CCC[NH3+] ZINC001220960342 825130841 /nfs/dbraw/zinc/13/08/41/825130841.db2.gz LZKQIBXZAMBJSE-VWYCJHECSA-N 1 3 287.360 -0.863 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001221007827 825135327 /nfs/dbraw/zinc/13/53/27/825135327.db2.gz DXOGHALTJFNUIB-VWYCJHECSA-N 1 3 253.346 -0.521 20 0 CBADHO COC[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221012993 825137232 /nfs/dbraw/zinc/13/72/32/825137232.db2.gz GUUSVJGPELKBEM-GHMZBOCLSA-N 1 3 253.346 -0.663 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@H](N)CCC[NH3+])[nH]1 ZINC001221079521 825141435 /nfs/dbraw/zinc/14/14/35/825141435.db2.gz DBAVGILIAXGLMP-SECBINFHSA-N 1 3 268.317 -0.516 20 0 CBADHO O=C(NC1(c2cnccn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221082286 825141779 /nfs/dbraw/zinc/14/17/79/825141779.db2.gz OFGGDKHZRONWQY-JTQLQIEISA-N 1 3 273.340 -0.609 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221158115 825149204 /nfs/dbraw/zinc/14/92/04/825149204.db2.gz UCVCGMQRSSPXTB-GFCCVEGCSA-N 1 3 293.371 -0.052 20 0 CBADHO CCn1cc(NC(=O)[C@@H](N)CCC[NH3+])ccc1=O ZINC001221176488 825149777 /nfs/dbraw/zinc/14/97/77/825149777.db2.gz AQHHEAVCALTKRF-JTQLQIEISA-N 1 3 252.318 -0.127 20 0 CBADHO O=C(NCCc1ccc(CO)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221190740 825151066 /nfs/dbraw/zinc/15/10/66/825151066.db2.gz ZZCNPFUEUZPOBU-CQSZACIVSA-N 1 3 289.379 -0.353 20 0 CBADHO CC(C)(C)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001221193981 825153426 /nfs/dbraw/zinc/15/34/26/825153426.db2.gz IQVJIXSGFOGPGF-IAQYHMDHSA-N 1 3 280.416 -0.216 20 0 CBADHO N[C@H](C(=O)NCc1nc2cc[nH]cc-2n1)C1CC[NH2+]CC1 ZINC001221194918 825153507 /nfs/dbraw/zinc/15/35/07/825153507.db2.gz XEAQIPLHSHUPKI-ZDUSSCGKSA-N 1 3 288.355 -0.099 20 0 CBADHO CC(C)(C)N1CC(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221195745 825155052 /nfs/dbraw/zinc/15/50/52/825155052.db2.gz FUQQZYPPMHKEIN-ZDUSSCGKSA-N 1 3 297.447 -0.664 20 0 CBADHO C[C@@]1([NH3+])C[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001221239650 825159228 /nfs/dbraw/zinc/15/92/28/825159228.db2.gz QTYLSGZAUOPFFE-OUJBWJOFSA-N 1 3 268.361 -0.678 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254376 825162353 /nfs/dbraw/zinc/16/23/53/825162353.db2.gz NBXIKQWWNLRUTL-AVGNSLFASA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254376 825162358 /nfs/dbraw/zinc/16/23/58/825162358.db2.gz NBXIKQWWNLRUTL-AVGNSLFASA-N 1 3 298.431 -0.068 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250619 825162733 /nfs/dbraw/zinc/16/27/33/825162733.db2.gz RHIFLZWYAYDOMX-UKRRQHHQSA-N 1 3 280.416 -0.072 20 0 CBADHO O=C(NCCCCCO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221281686 825166683 /nfs/dbraw/zinc/16/66/83/825166683.db2.gz ZNRIKKXNLYSXFA-DGCLKSJQSA-N 1 3 255.362 -0.536 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298244 825167747 /nfs/dbraw/zinc/16/77/47/825167747.db2.gz HPRRKLUMWZVROM-NSHDSACASA-N 1 3 276.340 -0.136 20 0 CBADHO O=C(NC1=CC(=O)NCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221316141 825169143 /nfs/dbraw/zinc/16/91/43/825169143.db2.gz GXEIJBNKUWJXEC-LLVKDONJSA-N 1 3 278.356 -0.619 20 0 CBADHO O=C(NC1=CC(=O)NCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221316141 825169145 /nfs/dbraw/zinc/16/91/45/825169145.db2.gz GXEIJBNKUWJXEC-LLVKDONJSA-N 1 3 278.356 -0.619 20 0 CBADHO Cc1cnc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(=O)[nH]1 ZINC001221328949 825170952 /nfs/dbraw/zinc/17/09/52/825170952.db2.gz OVIVGKWPZAQVPY-SECBINFHSA-N 1 3 265.317 -0.656 20 0 CBADHO O=C(NC[C@H](O)CF)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221338926 825174115 /nfs/dbraw/zinc/17/41/15/825174115.db2.gz VXXCIEVURQMGPU-NXEZZACHSA-N 1 3 259.325 -0.693 20 0 CBADHO O=C(NC[C@H](O)CF)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221338926 825174118 /nfs/dbraw/zinc/17/41/18/825174118.db2.gz VXXCIEVURQMGPU-NXEZZACHSA-N 1 3 259.325 -0.693 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCCC[NH3+])COC1(C)C ZINC001221349523 825174621 /nfs/dbraw/zinc/17/46/21/825174621.db2.gz YSRFCBVLYINRSB-UWVGGRQHSA-N 1 3 286.376 -0.848 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1=O ZINC001221367263 825175854 /nfs/dbraw/zinc/17/58/54/825175854.db2.gz OSSAESCZSIRGDZ-OUAUKWLOSA-N 1 3 286.351 -0.858 20 0 CBADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221369863 825177338 /nfs/dbraw/zinc/17/73/38/825177338.db2.gz NQBXSEITSLGVCW-IUCAKERBSA-N 1 3 256.350 -0.917 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370416 825177622 /nfs/dbraw/zinc/17/76/22/825177622.db2.gz QTFLBYMEMTZFJF-UWVGGRQHSA-N 1 3 272.349 -0.730 20 0 CBADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221369855 825177768 /nfs/dbraw/zinc/17/77/68/825177768.db2.gz NQBXSEITSLGVCW-DTWKUNHWSA-N 1 3 256.350 -0.917 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221376478 825178736 /nfs/dbraw/zinc/17/87/36/825178736.db2.gz DNOJSZYJKJQZOE-STQMWFEESA-N 1 3 297.424 -0.102 20 0 CBADHO CC[C@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221377030 825179231 /nfs/dbraw/zinc/17/92/31/825179231.db2.gz PPSOIJJIVCSRCQ-MNOVXSKESA-N 1 3 255.362 -0.252 20 0 CBADHO CC[C@H](CO)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221377030 825179236 /nfs/dbraw/zinc/17/92/36/825179236.db2.gz PPSOIJJIVCSRCQ-MNOVXSKESA-N 1 3 255.362 -0.252 20 0 CBADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccno1 ZINC001221397607 825181029 /nfs/dbraw/zinc/18/10/29/825181029.db2.gz OYHRZAHDWFJYJD-DTWKUNHWSA-N 1 3 250.302 -0.339 20 0 CBADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccno1 ZINC001221397612 825181775 /nfs/dbraw/zinc/18/17/75/825181775.db2.gz OYHRZAHDWFJYJD-IUCAKERBSA-N 1 3 250.302 -0.339 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397910 825182484 /nfs/dbraw/zinc/18/24/84/825182484.db2.gz QGLWBVRWLLXOLU-STQMWFEESA-N 1 3 263.341 -0.473 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001221397920 825182536 /nfs/dbraw/zinc/18/25/36/825182536.db2.gz QJYBWJAFMSVACG-QLFBSQMISA-N 1 3 289.379 -0.213 20 0 CBADHO C[C@]1(NC(=O)[C@@H](N)CSCC[NH3+])CCCOC1 ZINC001221402733 825182568 /nfs/dbraw/zinc/18/25/68/825182568.db2.gz LCAJQZYKZREBCB-ONGXEEELSA-N 1 3 261.391 -0.309 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001221403761 825184749 /nfs/dbraw/zinc/18/47/49/825184749.db2.gz WXCOBWSKIBTRAO-NEPJUHHUSA-N 1 3 269.389 -0.053 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411866 825187659 /nfs/dbraw/zinc/18/76/59/825187659.db2.gz YHLRHSLWWABMMY-CHWSQXEVSA-N 1 3 277.372 -0.216 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411866 825187660 /nfs/dbraw/zinc/18/76/60/825187660.db2.gz YHLRHSLWWABMMY-CHWSQXEVSA-N 1 3 277.372 -0.216 20 0 CBADHO O=c1cc[nH]cc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222105275 825201819 /nfs/dbraw/zinc/20/18/19/825201819.db2.gz YPCVQPASZPJRDC-UHFFFAOYSA-N 1 3 262.357 -0.098 20 0 CBADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366541 825316735 /nfs/dbraw/zinc/31/67/35/825316735.db2.gz RVMJAGLIFMVRFS-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C(c1nc2c(s1)CNCC2)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064910 825487335 /nfs/dbraw/zinc/48/73/35/825487335.db2.gz ZAOYQQNXGOZHGV-AWEZNQCLSA-N 1 3 293.440 -0.074 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@@H]1CO ZINC001235443343 825496149 /nfs/dbraw/zinc/49/61/49/825496149.db2.gz MZYLKTATQRDGQP-GMTAPVOTSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@@H]1CO ZINC001235443343 825496151 /nfs/dbraw/zinc/49/61/51/825496151.db2.gz MZYLKTATQRDGQP-GMTAPVOTSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@H]([NH3+])CN1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235519548 825498838 /nfs/dbraw/zinc/49/88/38/825498838.db2.gz XRDBWWMOTKSYFD-YNEHKIRRSA-N 1 3 277.372 -0.039 20 0 CBADHO [NH3+]CCCCN1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001235634196 825507916 /nfs/dbraw/zinc/50/79/16/825507916.db2.gz BMXXSABVDNOKFC-HZSPNIEDSA-N 1 3 297.399 -0.327 20 0 CBADHO CCOC(=O)[C@]12CN(C[C@@H]3CNCCO3)C[C@H]1C[NH2+]CC2 ZINC001236037006 825519519 /nfs/dbraw/zinc/51/95/19/825519519.db2.gz CCHVFCSOOLUETL-VNHYZAJKSA-N 1 3 297.399 -0.551 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C[C@@H]1CCC[N@H+](C)C1 ZINC001236053466 825521493 /nfs/dbraw/zinc/52/14/93/825521493.db2.gz WWEPEMAETSTSOY-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C[C@@H]1CCC[N@@H+](C)C1 ZINC001236053466 825521499 /nfs/dbraw/zinc/52/14/99/825521499.db2.gz WWEPEMAETSTSOY-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO NCCS(=O)(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001237552323 825537442 /nfs/dbraw/zinc/53/74/42/825537442.db2.gz BJDVJMVEPIQASY-UHFFFAOYSA-N 1 3 299.400 -0.291 20 0 CBADHO NCCS(=O)(=O)Nc1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC001237741175 825542843 /nfs/dbraw/zinc/54/28/43/825542843.db2.gz GHMZXCCCTDYQNF-JTQLQIEISA-N 1 3 255.343 -0.187 20 0 CBADHO NCCS(=O)(=O)Nc1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC001237994308 825543500 /nfs/dbraw/zinc/54/35/00/825543500.db2.gz KZHJRKGNOPLUEJ-UHFFFAOYSA-N 1 3 299.396 -0.042 20 0 CBADHO NCCS(=O)(=O)NCC1CC2(C1)CC[NH2+]CC2 ZINC001238221147 825549849 /nfs/dbraw/zinc/54/98/49/825549849.db2.gz NEXHGFSOTDJVRO-UHFFFAOYSA-N 1 3 261.391 -0.356 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001238327861 825550521 /nfs/dbraw/zinc/55/05/21/825550521.db2.gz QMOUWFXYCCNDLE-VWYCJHECSA-N 1 3 261.391 -0.500 20 0 CBADHO NCCS(=O)(=O)N[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001238545448 825556495 /nfs/dbraw/zinc/55/64/95/825556495.db2.gz USBSVTUGXLIOSJ-JTQLQIEISA-N 1 3 277.390 -0.834 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001238748994 825563226 /nfs/dbraw/zinc/56/32/26/825563226.db2.gz ROEXPZDWKBDEOI-VXGBXAGGSA-N 1 3 284.385 -0.390 20 0 CBADHO NCCS(=O)(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001238860042 825567897 /nfs/dbraw/zinc/56/78/97/825567897.db2.gz UCCWINPPYSRMGT-UHFFFAOYSA-N 1 3 284.385 -0.462 20 0 CBADHO CCC[NH+]1C[C@H]2CN(S(=O)(=O)CCN)C[C@@H]2C1 ZINC001239133721 825593411 /nfs/dbraw/zinc/59/34/11/825593411.db2.gz SVVUNTOTWFKUPM-QWRGUYRKSA-N 1 3 261.391 -0.452 20 0 CBADHO c1nc(N2CC[NH2+]CC2)ncc1-c1ncc2c(n1)CNCC2 ZINC001241895257 825608846 /nfs/dbraw/zinc/60/88/46/825608846.db2.gz PVJKEAJVZIEOCH-UHFFFAOYSA-N 1 3 297.366 -0.011 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC001246010019 825620341 /nfs/dbraw/zinc/62/03/41/825620341.db2.gz VUKATSSSGMTDAS-NKWVEPMBSA-N 1 3 257.256 -0.518 20 0 CBADHO CCCCOC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245973282 825615778 /nfs/dbraw/zinc/61/57/78/825615778.db2.gz JTPWEBXTSMQDFQ-RWMBFGLXSA-N 1 3 278.368 -0.184 20 0 CBADHO CC(C)(C)OC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246005231 825619332 /nfs/dbraw/zinc/61/93/32/825619332.db2.gz FAXGVQZQGSDHSV-MNOVXSKESA-N 1 3 275.393 -0.265 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001246006157 825621195 /nfs/dbraw/zinc/62/11/95/825621195.db2.gz HJDQLBIITBNHAK-AAEUAGOBSA-N 1 3 299.371 -0.270 20 0 CBADHO O=C1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1C1CC1 ZINC001246085463 825633535 /nfs/dbraw/zinc/63/35/35/825633535.db2.gz WZAIRHASRJGOLG-SCDSUCTJSA-N 1 3 285.363 -0.208 20 0 CBADHO O[C@@]1(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CCNC[C@@H]1F ZINC001246088031 825634893 /nfs/dbraw/zinc/63/48/93/825634893.db2.gz HPWYDNSWLXEJGK-QNWHQSFQSA-N 1 3 298.366 -0.191 20 0 CBADHO CCOC(=O)c1c(CN)ncn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246097666 825636268 /nfs/dbraw/zinc/63/62/68/825636268.db2.gz ZVIMTRGERCCQEH-JTQLQIEISA-N 1 3 293.371 -0.215 20 0 CBADHO C(N[C@@H]1CCC[NH2+]C1)c1nnn2c1CNCCC2 ZINC001246128823 825637673 /nfs/dbraw/zinc/63/76/73/825637673.db2.gz FKIUTXOABODYQV-SNVBAGLBSA-N 1 3 250.350 -0.387 20 0 CBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCCN2CC[NH2+]CC2)CN1 ZINC001246121480 825638027 /nfs/dbraw/zinc/63/80/27/825638027.db2.gz ZAWVSNIZOUBXRT-STQMWFEESA-N 1 3 298.431 -0.447 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246149699 825641036 /nfs/dbraw/zinc/64/10/36/825641036.db2.gz DYAYVGAVVBVKQR-SRRSOLGSSA-N 1 3 269.345 -1.000 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246146607 825641272 /nfs/dbraw/zinc/64/12/72/825641272.db2.gz GVBJPHZTGCAYRH-ZUWCUPBKSA-N 1 3 297.399 -0.506 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166437 825644549 /nfs/dbraw/zinc/64/45/49/825644549.db2.gz AEXKASPZAFKHQA-UTUOFQBUSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246200141 825649442 /nfs/dbraw/zinc/64/94/42/825649442.db2.gz OQFGBGDNBBUSAJ-WOPDTQHZSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)CN1 ZINC001246209395 825650852 /nfs/dbraw/zinc/65/08/52/825650852.db2.gz HSVUMCDMRIXNOO-BJDJZHNGSA-N 1 3 255.362 -0.132 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@H]2CCCNC2)CC1 ZINC001246255109 825656335 /nfs/dbraw/zinc/65/63/35/825656335.db2.gz JZVLWJJDIYLKCU-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO COc1nccc(CN[C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246259350 825656420 /nfs/dbraw/zinc/65/64/20/825656420.db2.gz OBPYRLPJZHRXGQ-JTQLQIEISA-N 1 3 263.345 -0.331 20 0 CBADHO CC(=O)N[C@@H](CCCCN[C@@H]1CC[C@H](C)[NH2+]C1)C(N)=O ZINC001246269123 825657894 /nfs/dbraw/zinc/65/78/94/825657894.db2.gz KXXUUCUFFQZLAB-UHTWSYAYSA-N 1 3 284.404 -0.123 20 0 CBADHO COC(=O)CC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246412319 825671678 /nfs/dbraw/zinc/67/16/78/825671678.db2.gz BACSOJQMFJDXEM-ZJUUUORDSA-N 1 3 259.350 -0.099 20 0 CBADHO CC(=O)N1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246414606 825671935 /nfs/dbraw/zinc/67/19/35/825671935.db2.gz IKNOKZKGACTVBW-LBPRGKRZSA-N 1 3 270.377 -0.430 20 0 CBADHO CC(=O)N1CCC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246416774 825672484 /nfs/dbraw/zinc/67/24/84/825672484.db2.gz LSXLDDKWENGDBF-RYUDHWBXSA-N 1 3 270.377 -0.430 20 0 CBADHO C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCCNCC1 ZINC001246525405 825679712 /nfs/dbraw/zinc/67/97/12/825679712.db2.gz PAMWFODFOWGDOT-LBPRGKRZSA-N 1 3 255.362 -0.081 20 0 CBADHO C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCCNCC1 ZINC001246525405 825679717 /nfs/dbraw/zinc/67/97/17/825679717.db2.gz PAMWFODFOWGDOT-LBPRGKRZSA-N 1 3 255.362 -0.081 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCCNCC1 ZINC001246524761 825679919 /nfs/dbraw/zinc/67/99/19/825679919.db2.gz PAMWFODFOWGDOT-GFCCVEGCSA-N 1 3 255.362 -0.081 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCCNCC1 ZINC001246524761 825679926 /nfs/dbraw/zinc/67/99/26/825679926.db2.gz PAMWFODFOWGDOT-GFCCVEGCSA-N 1 3 255.362 -0.081 20 0 CBADHO C1OCC1N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246533131 825681835 /nfs/dbraw/zinc/68/18/35/825681835.db2.gz BZMOVVBTLXAYES-LBPRGKRZSA-N 1 3 266.389 -0.903 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246544742 825682849 /nfs/dbraw/zinc/68/28/49/825682849.db2.gz SLVZVVUNDJHASJ-IPYPFGDCSA-N 1 3 299.415 -0.154 20 0 CBADHO COC(=O)[C@]1(F)CCN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548530 825684095 /nfs/dbraw/zinc/68/40/95/825684095.db2.gz IZOCEUWXAORKHV-GWCFXTLKSA-N 1 3 271.336 -0.333 20 0 CBADHO CC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@](O)(CN)C2)C1 ZINC001246561686 825685700 /nfs/dbraw/zinc/68/57/00/825685700.db2.gz SBMZZRKOOPRETC-QWHCGFSZSA-N 1 3 255.362 -0.217 20 0 CBADHO CC(=O)N1CC[C@H]([N@H+]2CCCC[C@@](O)(CN)C2)C1 ZINC001246561686 825685706 /nfs/dbraw/zinc/68/57/06/825685706.db2.gz SBMZZRKOOPRETC-QWHCGFSZSA-N 1 3 255.362 -0.217 20 0 CBADHO COC(=O)[C@@H]1CCC[C@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578114 825688599 /nfs/dbraw/zinc/68/85/99/825688599.db2.gz FXGPQPKVVPCEOM-NOOOWODRSA-N 1 3 256.346 -0.030 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580771 825691110 /nfs/dbraw/zinc/69/11/10/825691110.db2.gz OVOADNQPNRZOBA-WHOHXGKFSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580771 825691114 /nfs/dbraw/zinc/69/11/14/825691114.db2.gz OVOADNQPNRZOBA-WHOHXGKFSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583169 825691132 /nfs/dbraw/zinc/69/11/32/825691132.db2.gz ILHKFOFJUJUYTE-USZNOCQGSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@@H]1O ZINC001246583169 825691133 /nfs/dbraw/zinc/69/11/33/825691133.db2.gz ILHKFOFJUJUYTE-USZNOCQGSA-N 1 3 253.346 -0.609 20 0 CBADHO COC(=O)N1CCC(N2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583203 825691226 /nfs/dbraw/zinc/69/12/26/825691226.db2.gz IPYRGGNADSJJKM-ONGXEEELSA-N 1 3 257.334 -0.531 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246600685 825694350 /nfs/dbraw/zinc/69/43/50/825694350.db2.gz RJMDHZRTZONOAK-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO C1CO[C@@]2(CN1)COCCN(C1CC[NH2+]CC1)C2 ZINC001246607952 825695607 /nfs/dbraw/zinc/69/56/07/825695607.db2.gz UVMKNUYWQYSECZ-CYBMUJFWSA-N 1 3 255.362 -0.571 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC3(CC[NH2+]C3)CC2)CN1 ZINC001246642771 825700840 /nfs/dbraw/zinc/70/08/40/825700840.db2.gz OZMNGUGHSGPRGQ-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO C([C@H]1CCCO1)N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778671 825710776 /nfs/dbraw/zinc/71/07/76/825710776.db2.gz WPTVDTJGYDYYJJ-LSDHHAIUSA-N 1 3 294.443 -0.123 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246857582 825722264 /nfs/dbraw/zinc/72/22/64/825722264.db2.gz QJSXTVDUWYURII-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246856938 825722607 /nfs/dbraw/zinc/72/26/07/825722607.db2.gz JVVDFIOFNRCNIX-QCNOEVLYSA-N 1 3 253.346 -0.284 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N(C)CCN2CC[NH2+]CC2)CN1 ZINC001246869154 825726369 /nfs/dbraw/zinc/72/63/69/825726369.db2.gz FKKMONKEHTVIDD-OLZOCXBDSA-N 1 3 284.404 -0.883 20 0 CBADHO CC(=O)N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246887180 825727789 /nfs/dbraw/zinc/72/77/89/825727789.db2.gz JQYXWCFVVGUOAE-WCQYABFASA-N 1 3 266.389 -0.367 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246963350 825737302 /nfs/dbraw/zinc/73/73/02/825737302.db2.gz AEUVPHVFTZPCSA-BNOWGMLFSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)CN1 ZINC001246963350 825737305 /nfs/dbraw/zinc/73/73/05/825737305.db2.gz AEUVPHVFTZPCSA-BNOWGMLFSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC([N@H+]3CC[C@@H](N)C3)CC2)CN1 ZINC001246963350 825737308 /nfs/dbraw/zinc/73/73/08/825737308.db2.gz AEUVPHVFTZPCSA-BNOWGMLFSA-N 1 3 296.415 -0.613 20 0 CBADHO CN1CC2(C1)CC[NH+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251020323 825763717 /nfs/dbraw/zinc/76/37/17/825763717.db2.gz CVZUSDJPZSOLJW-CQSZACIVSA-N 1 3 283.416 -0.293 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001253202912 825904051 /nfs/dbraw/zinc/90/40/51/825904051.db2.gz CCXIWJOJESFVFF-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@H]1CCC(=O)N1C ZINC001253209125 825905704 /nfs/dbraw/zinc/90/57/04/825905704.db2.gz XXSGFEQWKFMJQT-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]C1CC(CO)(CO)C1 ZINC001253205227 825905838 /nfs/dbraw/zinc/90/58/38/825905838.db2.gz APRIPNWHFWMBMX-GFCCVEGCSA-N 1 3 260.378 -0.588 20 0 CBADHO CN1CCC[C@H](N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001254526191 825965936 /nfs/dbraw/zinc/96/59/36/825965936.db2.gz PMWSLBYGDMHPBD-JTQLQIEISA-N 1 3 261.391 -0.296 20 0 CBADHO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](CN)C(=O)OC)C1 ZINC001256017264 825997700 /nfs/dbraw/zinc/99/77/00/825997700.db2.gz OUMVUIIXJJUPHV-NXEZZACHSA-N 1 3 273.333 -0.445 20 0 CBADHO C[C@H](CC(=O)N1CCOCC1)N1CCN(CC[NH3+])CC1 ZINC001256321921 826010043 /nfs/dbraw/zinc/01/00/43/826010043.db2.gz TXTOJBKNFCGSTB-CYBMUJFWSA-N 1 3 284.404 -0.800 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001257925015 826053617 /nfs/dbraw/zinc/05/36/17/826053617.db2.gz GEEOOPRFEOWGCH-WDEREUQCSA-N 1 3 294.417 -0.073 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@@H](C)C[NH3+] ZINC001257925015 826053629 /nfs/dbraw/zinc/05/36/29/826053629.db2.gz GEEOOPRFEOWGCH-WDEREUQCSA-N 1 3 294.417 -0.073 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262038990 826627739 /nfs/dbraw/zinc/62/77/39/826627739.db2.gz DYKWUDFUACJAPE-NOOOWODRSA-N 1 3 268.405 -0.232 20 0 CBADHO CC(C)(C)[NH2+]CC(=O)N[C@@H](CO)CN1CCCC1 ZINC001262170947 826647638 /nfs/dbraw/zinc/64/76/38/826647638.db2.gz FHWXKFLQTPBNDS-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262548572 826705545 /nfs/dbraw/zinc/70/55/45/826705545.db2.gz XCUJUAOVTIHVTH-HAQNSBGRSA-N 1 3 296.415 -0.312 20 0 CBADHO CC[C@]1(C(=O)N[C@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001263156048 826744909 /nfs/dbraw/zinc/74/49/09/826744909.db2.gz LPKUVGFXWUSXHK-PWSUYJOCSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(CC1CC[NH2+]CC1)N[C@H]1COC2(CNC2)C1 ZINC001263156179 826744953 /nfs/dbraw/zinc/74/49/53/826744953.db2.gz OXRYNZCPUISONT-LLVKDONJSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(CC1CC[NH2+]CC1)N[C@@H]1COC2(CNC2)C1 ZINC001263156180 826745462 /nfs/dbraw/zinc/74/54/62/826745462.db2.gz OXRYNZCPUISONT-NSHDSACASA-N 1 3 253.346 -0.377 20 0 CBADHO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CCCCCC1 ZINC001263162827 826747168 /nfs/dbraw/zinc/74/71/68/826747168.db2.gz XUYYKCVTKAAYAP-UTUOFQBUSA-N 1 3 255.362 -0.300 20 0 CBADHO CCN(C(=O)[C@H](N)CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC001263184651 826751389 /nfs/dbraw/zinc/75/13/89/826751389.db2.gz ZRDOEOSWJCQART-NXEZZACHSA-N 1 3 257.334 -0.523 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001263213103 826755501 /nfs/dbraw/zinc/75/55/01/826755501.db2.gz MFOAHYIQNDJHDY-GXSJLCMTSA-N 1 3 261.391 -0.621 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263851753 826785210 /nfs/dbraw/zinc/78/52/10/826785210.db2.gz UIQZMBJEXMIXFE-TXEJJXNPSA-N 1 3 257.378 -0.197 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001263879590 826787790 /nfs/dbraw/zinc/78/77/90/826787790.db2.gz NYCHEXHTNREDLD-ZDUSSCGKSA-N 1 3 257.378 -0.148 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001265504797 826899789 /nfs/dbraw/zinc/89/97/89/826899789.db2.gz JIZBRFQAKFDRAU-MGCOHNPYSA-N 1 3 256.350 -0.950 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CCC1 ZINC001265542991 826902949 /nfs/dbraw/zinc/90/29/49/826902949.db2.gz BMMAUJIHZKKNMU-PHIMTYICSA-N 1 3 255.362 -0.300 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N(C)C ZINC001265818603 826924290 /nfs/dbraw/zinc/92/42/90/826924290.db2.gz NVLCCWZDLAHQEP-SNVBAGLBSA-N 1 3 258.366 -0.879 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037420 826948373 /nfs/dbraw/zinc/94/83/73/826948373.db2.gz RFGYXMKKPYEOKR-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@H](O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339656 826986913 /nfs/dbraw/zinc/98/69/13/826986913.db2.gz VDRNWOAAGZRYBJ-RYUDHWBXSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001266551859 827019912 /nfs/dbraw/zinc/01/99/12/827019912.db2.gz BZUWQZWZTBWDEG-JTQLQIEISA-N 1 3 252.318 -0.475 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266541989 827021027 /nfs/dbraw/zinc/02/10/27/827021027.db2.gz ABAIZBRPEXSNHV-QWHCGFSZSA-N 1 3 285.388 -0.720 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267225942 827133124 /nfs/dbraw/zinc/13/31/24/827133124.db2.gz IOHNYXQMYTXBMB-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267225942 827133128 /nfs/dbraw/zinc/13/31/28/827133128.db2.gz IOHNYXQMYTXBMB-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001267391002 827163533 /nfs/dbraw/zinc/16/35/33/827163533.db2.gz YQNFMRDQIXWQLX-NXEZZACHSA-N 1 3 258.366 -0.752 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+]CCn1cncn1)N(C)C ZINC001267457012 827174556 /nfs/dbraw/zinc/17/45/56/827174556.db2.gz RDULKCUDSRNGMX-GFCCVEGCSA-N 1 3 282.392 -0.334 20 0 CBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001267752365 827215173 /nfs/dbraw/zinc/21/51/73/827215173.db2.gz XQAXEXNNWULVGX-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(CC[N@H+](C)CCCO)C(=O)[C@H]1CCCN1C ZINC001268245514 827270601 /nfs/dbraw/zinc/27/06/01/827270601.db2.gz PRXDTYHLUYHYKX-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(CC[N@@H+](C)CCCO)C(=O)[C@H]1CCCN1C ZINC001268245514 827270613 /nfs/dbraw/zinc/27/06/13/827270613.db2.gz PRXDTYHLUYHYKX-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC(C)[C@H](CNC(=O)CC[NH+](C)C)NCC(N)=O ZINC001268216002 827262136 /nfs/dbraw/zinc/26/21/36/827262136.db2.gz FPLWWPNWDPCTIA-JTQLQIEISA-N 1 3 258.366 -0.846 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC1)N(C)C ZINC001268321884 827300430 /nfs/dbraw/zinc/30/04/30/827300430.db2.gz OLULKSLRAISOBN-RYUDHWBXSA-N 1 3 257.378 -0.197 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268497228 827341863 /nfs/dbraw/zinc/34/18/63/827341863.db2.gz HMVKGYDTYGTXSZ-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268497228 827341866 /nfs/dbraw/zinc/34/18/66/827341866.db2.gz HMVKGYDTYGTXSZ-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562468 827364507 /nfs/dbraw/zinc/36/45/07/827364507.db2.gz HMTPUKMYPZSXJM-DLGQBQFBSA-N 1 3 294.399 -0.249 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268625279 827382725 /nfs/dbraw/zinc/38/27/25/827382725.db2.gz MEBOSDAOHXALJR-JQSFKPKSSA-N 1 3 296.415 -0.323 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268625279 827382737 /nfs/dbraw/zinc/38/27/37/827382737.db2.gz MEBOSDAOHXALJR-JQSFKPKSSA-N 1 3 296.415 -0.323 20 0 CBADHO C[C@@H](O)C[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001268625761 827383071 /nfs/dbraw/zinc/38/30/71/827383071.db2.gz SIFMDNFVTUYZHH-QAVQXKDTSA-N 1 3 255.362 -0.275 20 0 CBADHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001268915023 827438623 /nfs/dbraw/zinc/43/86/23/827438623.db2.gz HQXQXYZHGXCVCC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001268915022 827439278 /nfs/dbraw/zinc/43/92/78/827439278.db2.gz HQXQXYZHGXCVCC-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001271183184 827675163 /nfs/dbraw/zinc/67/51/63/827675163.db2.gz XLACQCDHQHTLNH-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271493721 827705888 /nfs/dbraw/zinc/70/58/88/827705888.db2.gz CXLBCRJCNKREBG-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001273342669 827891329 /nfs/dbraw/zinc/89/13/29/827891329.db2.gz OWRHEJCBDGVYTP-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CCNC(=O)CN1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273699368 827919179 /nfs/dbraw/zinc/91/91/79/827919179.db2.gz LJCKFJOCISWRPF-OAHLLOKOSA-N 1 3 296.415 -0.392 20 0 CBADHO Cn1cncc1N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274758616 828028534 /nfs/dbraw/zinc/02/85/34/828028534.db2.gz KVHIEOSSZJRPAO-UHFFFAOYSA-N 1 3 293.371 -0.601 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001275189484 828066585 /nfs/dbraw/zinc/06/65/85/828066585.db2.gz LELUIOAQOOODGT-STQMWFEESA-N 1 3 296.419 -0.041 20 0 CBADHO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001276076413 828132901 /nfs/dbraw/zinc/13/29/01/828132901.db2.gz OWPFJQVPMZYZTC-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001276213672 828138114 /nfs/dbraw/zinc/13/81/14/828138114.db2.gz BVSNRQWUUMFFGM-VXGBXAGGSA-N 1 3 286.420 -0.116 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001276245604 828138909 /nfs/dbraw/zinc/13/89/09/828138909.db2.gz PKXSPRJHORDVSK-LLVKDONJSA-N 1 3 279.344 -0.721 20 0 CBADHO COC(=O)[C@@H](C)CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276524214 828148143 /nfs/dbraw/zinc/14/81/43/828148143.db2.gz YXINRDKMNKHGHO-MJBXVCDLSA-N 1 3 299.415 -0.258 20 0 CBADHO COC(=O)[C@H](C)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276521570 828148562 /nfs/dbraw/zinc/14/85/62/828148562.db2.gz DCCQZAYGTFAXLR-MCIONIFRSA-N 1 3 299.415 -0.258 20 0 CBADHO C[NH+](C)CCN1CCC2(CN(C[C@@H]3COCCO3)C2)C1 ZINC001277526626 828193159 /nfs/dbraw/zinc/19/31/59/828193159.db2.gz JCFAYCFCJKLQPH-CQSZACIVSA-N 1 3 283.416 -0.029 20 0 CBADHO NC(=O)c1[nH]nc2c1CN(CC1CC[NH2+]CC1)CC2 ZINC001277822223 828212167 /nfs/dbraw/zinc/21/21/67/828212167.db2.gz SFNZZARDYVFLEL-UHFFFAOYSA-N 1 3 263.345 -0.134 20 0 CBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277864883 828215535 /nfs/dbraw/zinc/21/55/35/828215535.db2.gz NRRFEAJBQRWZKT-RYUDHWBXSA-N 1 3 295.383 -0.308 20 0 CBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277864883 828215537 /nfs/dbraw/zinc/21/55/37/828215537.db2.gz NRRFEAJBQRWZKT-RYUDHWBXSA-N 1 3 295.383 -0.308 20 0 CBADHO CC(=O)NCCN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001277909484 828217503 /nfs/dbraw/zinc/21/75/03/828217503.db2.gz DDTKJQBQOAOIFL-KBPBESRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(=O)NCCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001277909484 828217510 /nfs/dbraw/zinc/21/75/10/828217510.db2.gz DDTKJQBQOAOIFL-KBPBESRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CCN1CCN(CCC(=O)NCCCC[NH3+])CC1 ZINC001349486471 890824018 /nfs/dbraw/zinc/82/40/18/890824018.db2.gz FZYUKEFPIMXSTD-UHFFFAOYSA-N 1 3 256.394 -0.131 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001349621440 890851154 /nfs/dbraw/zinc/85/11/54/890851154.db2.gz QNSYQRGYLXYRFZ-MGCOHNPYSA-N 1 3 251.334 -0.122 20 0 CBADHO C[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001326316963 884985234 /nfs/dbraw/zinc/98/52/34/884985234.db2.gz JKUPMWHOMNBXTN-WPRPVWTQSA-N 1 3 252.322 -0.753 20 0 CBADHO Cc1nn(CCO)c(C)c1CNCCOCCC[NH3+] ZINC001329136249 885944993 /nfs/dbraw/zinc/94/49/93/885944993.db2.gz XORKTUDNPHIAOQ-UHFFFAOYSA-N 1 3 270.377 -0.053 20 0 CBADHO C[NH2+]CCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330592259 886492956 /nfs/dbraw/zinc/49/29/56/886492956.db2.gz OTYQLUYGNJSFCP-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](NCc1cn(CC(N)=O)nn1)C1CC[NH2+]CC1 ZINC001330793941 886570212 /nfs/dbraw/zinc/57/02/12/886570212.db2.gz MOGKJARXWBCKPD-VIFPVBQESA-N 1 3 266.349 -0.759 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NCC[C@@H]1CNCCS1(=O)=O ZINC001332403475 887263098 /nfs/dbraw/zinc/26/30/98/887263098.db2.gz WXCAIESKXNTWFF-GARJFASQSA-N 1 3 263.407 -0.522 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001332665957 887395775 /nfs/dbraw/zinc/39/57/75/887395775.db2.gz ZMIBVWNZIBXNNL-LLVKDONJSA-N 1 3 254.334 -0.277 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001332665957 887395781 /nfs/dbraw/zinc/39/57/81/887395781.db2.gz ZMIBVWNZIBXNNL-LLVKDONJSA-N 1 3 254.334 -0.277 20 0 CBADHO C[C@H]1CN(CC[NH2+]C[C@H](O)CN2CCCC2)CCO1 ZINC001338468882 889164450 /nfs/dbraw/zinc/16/44/50/889164450.db2.gz ZFFFRXITIAFFMT-KBPBESRZSA-N 1 3 271.405 -0.247 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001340148046 889394633 /nfs/dbraw/zinc/39/46/33/889394633.db2.gz LDDYMSUXBCAYFS-BXKDBHETSA-N 1 3 257.334 -0.536 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001340281715 889417053 /nfs/dbraw/zinc/41/70/53/889417053.db2.gz HXCXIXUNLHSDQW-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO CCCN(CCN(C)C)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340646767 889459640 /nfs/dbraw/zinc/45/96/40/889459640.db2.gz ABVJRMUBUPZTPE-AAEUAGOBSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1CNCCN1C ZINC001340914178 889512027 /nfs/dbraw/zinc/51/20/27/889512027.db2.gz FRSHMQLIKUKRKV-UTUOFQBUSA-N 1 3 254.378 -0.748 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143273 889547901 /nfs/dbraw/zinc/54/79/01/889547901.db2.gz DXVNJBLPKATUHL-SRVKXCTJSA-N 1 3 254.378 -0.511 20 0 CBADHO CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001341370480 889584445 /nfs/dbraw/zinc/58/44/45/889584445.db2.gz YQTVDMMQUQYHAM-ZJUUUORDSA-N 1 3 253.346 -0.378 20 0 CBADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC001341672909 889644833 /nfs/dbraw/zinc/64/48/33/889644833.db2.gz PMVIMWBKEPQBKW-RISCZKNCSA-N 1 3 267.373 -0.156 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341848613 889674601 /nfs/dbraw/zinc/67/46/01/889674601.db2.gz RHKTTWAGLLWLSQ-VXGBXAGGSA-N 1 3 255.362 -0.036 20 0 CBADHO CCN(C(=O)[C@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001342087648 889707184 /nfs/dbraw/zinc/70/71/84/889707184.db2.gz NFNCIIOCMLDKFM-GFCCVEGCSA-N 1 3 254.378 -0.510 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001443941016 912310560 /nfs/dbraw/zinc/31/05/60/912310560.db2.gz YQANOEJKGLMXEJ-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001443984237 912319221 /nfs/dbraw/zinc/31/92/21/912319221.db2.gz SCHVMTFPEIDVKX-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC ZINC001444026659 912328823 /nfs/dbraw/zinc/32/88/23/912328823.db2.gz DAHXHOVZLMRVLJ-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001444313122 912423928 /nfs/dbraw/zinc/42/39/28/912423928.db2.gz YDTIPZWMZKSQNH-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001343736943 889958812 /nfs/dbraw/zinc/95/88/12/889958812.db2.gz SRJZOBWRUGXNMS-LOWVWBTDSA-N 1 3 252.362 -0.709 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343764692 889962940 /nfs/dbraw/zinc/96/29/40/889962940.db2.gz KIBFPBNNZXLECS-QWHCGFSZSA-N 1 3 268.405 -0.214 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444638318 912485484 /nfs/dbraw/zinc/48/54/84/912485484.db2.gz RYTHNJFXKPZSCN-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001344988551 890088018 /nfs/dbraw/zinc/08/80/18/890088018.db2.gz MFOAHYIQNDJHDY-MWLCHTKSSA-N 1 3 261.391 -0.621 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001444736751 912496791 /nfs/dbraw/zinc/49/67/91/912496791.db2.gz WQCDCJIOWRNKFP-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445313880 912630048 /nfs/dbraw/zinc/63/00/48/912630048.db2.gz OKMNCBZZZHELDH-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445313880 912630056 /nfs/dbraw/zinc/63/00/56/912630056.db2.gz OKMNCBZZZHELDH-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445301582 912630113 /nfs/dbraw/zinc/63/01/13/912630113.db2.gz AMWULAFQWUDGCC-AAEUAGOBSA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445301592 912630735 /nfs/dbraw/zinc/63/07/35/912630735.db2.gz AMWULAFQWUDGCC-YPMHNXCESA-N 1 3 296.415 -0.360 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001445479752 912672742 /nfs/dbraw/zinc/67/27/42/912672742.db2.gz GHWWHGCJESRXPS-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001445609098 912710111 /nfs/dbraw/zinc/71/01/11/912710111.db2.gz HMZKJQPCOFLJLC-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001445661025 912729706 /nfs/dbraw/zinc/72/97/06/912729706.db2.gz YUJZOLREJRQPKJ-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N2CC(N3CCCC3)C2)C1 ZINC000912324767 884598277 /nfs/dbraw/zinc/59/82/77/884598277.db2.gz HOXBXCIZCLEORF-UHFFFAOYSA-N 1 3 280.416 -0.214 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N2CC(N3CCCC3)C2)C1 ZINC000912324767 884598291 /nfs/dbraw/zinc/59/82/91/884598291.db2.gz HOXBXCIZCLEORF-UHFFFAOYSA-N 1 3 280.416 -0.214 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426159 884676586 /nfs/dbraw/zinc/67/65/86/884676586.db2.gz DXWKXDDIHCCRHY-LLVKDONJSA-N 1 3 261.366 -0.960 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158288 884721491 /nfs/dbraw/zinc/72/14/91/884721491.db2.gz KFJIYWAIMIZHCL-OLZOCXBDSA-N 1 3 287.404 -0.476 20 0 CBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001200796067 884743002 /nfs/dbraw/zinc/74/30/02/884743002.db2.gz SDNGSJLBBCWVNA-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001210811963 884765808 /nfs/dbraw/zinc/76/58/08/884765808.db2.gz SEUGBQKYSMJNPY-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001210811968 884765893 /nfs/dbraw/zinc/76/58/93/884765893.db2.gz SEUGBQKYSMJNPY-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001219386015 884790890 /nfs/dbraw/zinc/79/08/90/884790890.db2.gz BMMZMWTXCGQBAZ-JTQLQIEISA-N 1 3 291.311 -0.208 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NCCCCN1CCN(C)CC1 ZINC001326297568 884976074 /nfs/dbraw/zinc/97/60/74/884976074.db2.gz CJOXACQBDZZSRU-CYBMUJFWSA-N 1 3 270.421 -0.014 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)N1CCNCC1 ZINC001326310945 884986776 /nfs/dbraw/zinc/98/67/76/884986776.db2.gz MGNFOIBXKIBXLF-NSHDSACASA-N 1 3 254.378 -0.604 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001326329521 884988383 /nfs/dbraw/zinc/98/83/83/884988383.db2.gz CEPUIAAXLWJPMA-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001446464713 912891841 /nfs/dbraw/zinc/89/18/41/912891841.db2.gz XFLKEVJIGCYYBI-KBPBESRZSA-N 1 3 299.415 -0.330 20 0 CBADHO NC(=O)CCNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001326600304 885081254 /nfs/dbraw/zinc/08/12/54/885081254.db2.gz VKGLSHQUUVTLJQ-RYUDHWBXSA-N 1 3 255.362 -0.171 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCN(C)CC2)CCN1C ZINC001326599742 885081815 /nfs/dbraw/zinc/08/18/15/885081815.db2.gz PUCPHEPOUGCBGZ-KFWWJZLASA-N 1 3 284.448 -0.333 20 0 CBADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCCO)C2)CCC1 ZINC001326988966 885213817 /nfs/dbraw/zinc/21/38/17/885213817.db2.gz RMCHGQYECBAZLN-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001446630395 912914283 /nfs/dbraw/zinc/91/42/83/912914283.db2.gz XAIWFHDLONHWLD-CQSZACIVSA-N 1 3 284.404 -0.358 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446726052 912927128 /nfs/dbraw/zinc/92/71/28/912927128.db2.gz MROSSAQWPOKKJS-UHFFFAOYSA-N 1 3 287.404 -0.425 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327579421 885413199 /nfs/dbraw/zinc/41/31/99/885413199.db2.gz UXDYXTAJPYGBKH-SNVBAGLBSA-N 1 3 253.306 -0.760 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[NH2+]CC2CC2)n1 ZINC001327601212 885425699 /nfs/dbraw/zinc/42/56/99/885425699.db2.gz JCJIPKLSPKUAIT-UHFFFAOYSA-N 1 3 265.317 -0.743 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001328841326 885825366 /nfs/dbraw/zinc/82/53/66/885825366.db2.gz NRZXOZWKXROJKQ-CQSZACIVSA-N 1 3 299.463 -0.591 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001446942050 912983037 /nfs/dbraw/zinc/98/30/37/912983037.db2.gz ODTRGIAACPYKLY-NWDGAFQWSA-N 1 3 284.404 -0.502 20 0 CBADHO CN(CCC[NH3+])Cc1cn(C[C@H]2CNCCO2)nn1 ZINC001329245851 885980932 /nfs/dbraw/zinc/98/09/32/885980932.db2.gz VQVCKLYDUYIVLE-GFCCVEGCSA-N 1 3 268.365 -0.953 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329936089 886286585 /nfs/dbraw/zinc/28/65/85/886286585.db2.gz CIBIWBGLBSTSIO-NKWVEPMBSA-N 1 3 253.306 -0.760 20 0 CBADHO CC(C)([NH3+])CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329937003 886286668 /nfs/dbraw/zinc/28/66/68/886286668.db2.gz KNXMFLQXZKYMCY-UHFFFAOYSA-N 1 3 253.306 -0.616 20 0 CBADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001447232353 913039676 /nfs/dbraw/zinc/03/96/76/913039676.db2.gz VLJNXHFLIBCCOM-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001330593534 886492577 /nfs/dbraw/zinc/49/25/77/886492577.db2.gz RANHMEMDHGMNGU-JTQLQIEISA-N 1 3 251.334 -0.249 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330591936 886493768 /nfs/dbraw/zinc/49/37/68/886493768.db2.gz LWDJFPLFPAIWQF-CMPLNLGQSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001331052785 886659927 /nfs/dbraw/zinc/65/99/27/886659927.db2.gz JKCKNTKQSSEUHQ-ZJUUUORDSA-N 1 3 253.346 -0.439 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC001331474813 886817491 /nfs/dbraw/zinc/81/74/91/886817491.db2.gz LCOWMEOQKJSUQR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC001331490681 886821070 /nfs/dbraw/zinc/82/10/70/886821070.db2.gz ZQSAWGRIPSBWGT-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001447536144 913090865 /nfs/dbraw/zinc/09/08/65/913090865.db2.gz DYDCCSVTPFULOI-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534062 913094066 /nfs/dbraw/zinc/09/40/66/913094066.db2.gz BHTLOZPGLCBBRK-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO COCCN[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331712912 886930356 /nfs/dbraw/zinc/93/03/56/886930356.db2.gz VVGNLDQUVUTDIT-OLZOCXBDSA-N 1 3 285.388 -0.959 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@H]1NS(=O)(=O)C1CNC1 ZINC001332366395 887230940 /nfs/dbraw/zinc/23/09/40/887230940.db2.gz ZZRAVMBYZBZXNJ-MNOVXSKESA-N 1 3 261.391 -0.250 20 0 CBADHO [NH3+]C[C@@H]1CCN(C[C@H](O)COC2CCOCC2)C1 ZINC001332365433 887230988 /nfs/dbraw/zinc/23/09/88/887230988.db2.gz SLOQNPNSKGBWLM-RYUDHWBXSA-N 1 3 258.362 -0.177 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NCC[C@@H]1CNCCS1(=O)=O ZINC001332403476 887263360 /nfs/dbraw/zinc/26/33/60/887263360.db2.gz WXCAIESKXNTWFF-HBNTYKKESA-N 1 3 263.407 -0.522 20 0 CBADHO [NH3+][C@@H]1C[C@H](NC[C@H](O)Cn2ccnn2)C12CCC2 ZINC001332419224 887270806 /nfs/dbraw/zinc/27/08/06/887270806.db2.gz BIYYUZWYSWWEGR-AXFHLTTASA-N 1 3 251.334 -0.502 20 0 CBADHO N[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C12CCC2 ZINC001332419224 887270822 /nfs/dbraw/zinc/27/08/22/887270822.db2.gz BIYYUZWYSWWEGR-AXFHLTTASA-N 1 3 251.334 -0.502 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC001332423545 887275736 /nfs/dbraw/zinc/27/57/36/887275736.db2.gz DVJBEABCTMHAPR-RYUDHWBXSA-N 1 3 254.378 -0.665 20 0 CBADHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCOC3(CNC3)C2)CC1 ZINC001332962288 887489842 /nfs/dbraw/zinc/48/98/42/887489842.db2.gz WGYFWCVIAYRLIE-PHIMTYICSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333294428 887587235 /nfs/dbraw/zinc/58/72/35/887587235.db2.gz WKUVTLIHZWXDLQ-JSGCOSHPSA-N 1 3 268.405 -0.133 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333397329 887620673 /nfs/dbraw/zinc/62/06/73/887620673.db2.gz ICZYMZFQXHFQNE-AGIUHOORSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(Cc1nc2c(s1)CNCC2)C[C@H](O)C[NH3+] ZINC001333671565 887739469 /nfs/dbraw/zinc/73/94/69/887739469.db2.gz KDGZRGIGTBNBPF-MRVPVSSYSA-N 1 3 256.375 -0.460 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1CCCCC1 ZINC001333882183 887797046 /nfs/dbraw/zinc/79/70/46/887797046.db2.gz VZSQDDKJZKDARD-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958048 887817752 /nfs/dbraw/zinc/81/77/52/887817752.db2.gz AANQMSJSSMDWGI-XQQFMLRXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449722 888536634 /nfs/dbraw/zinc/53/66/34/888536634.db2.gz UNZYLTGOOJAVJX-ZYHUDNBSSA-N 1 3 267.377 -0.037 20 0 CBADHO C[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449722 888536644 /nfs/dbraw/zinc/53/66/44/888536644.db2.gz UNZYLTGOOJAVJX-ZYHUDNBSSA-N 1 3 267.377 -0.037 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335556449 888564347 /nfs/dbraw/zinc/56/43/47/888564347.db2.gz WLKQKIQLIFKCKU-NNYUYHANSA-N 1 3 252.362 -0.012 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC001335662661 888597303 /nfs/dbraw/zinc/59/73/03/888597303.db2.gz WBJBQIGERTWCHP-WDEREUQCSA-N 1 3 268.361 -0.502 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841231 888642918 /nfs/dbraw/zinc/64/29/18/888642918.db2.gz BHZAJGIZHUDJKL-CKIKVBCHSA-N 1 3 265.357 -0.426 20 0 CBADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCOC2(CNC2)C1 ZINC001336251805 888728006 /nfs/dbraw/zinc/72/80/06/888728006.db2.gz AZUKIURYKBANJA-HBNTYKKESA-N 1 3 266.345 -0.737 20 0 CBADHO CC[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001336905764 888916354 /nfs/dbraw/zinc/91/63/54/888916354.db2.gz IXVZWJIBGFEFFH-OLZOCXBDSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448426815 913297147 /nfs/dbraw/zinc/29/71/47/913297147.db2.gz IUUGYURVVLCTFA-FVCCEPFGSA-N 1 3 296.415 -0.504 20 0 CBADHO C[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001338627710 889184468 /nfs/dbraw/zinc/18/44/68/889184468.db2.gz XBWFJFOTFWRJRW-VXGBXAGGSA-N 1 3 270.377 -0.554 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338640617 889184543 /nfs/dbraw/zinc/18/45/43/889184543.db2.gz HDJBYABIOBOXHV-VPOLOUISSA-N 1 3 254.334 -0.833 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340127435 889388175 /nfs/dbraw/zinc/38/81/75/889388175.db2.gz CTHUGFQXHYWUCN-WCQYABFASA-N 1 3 254.378 -0.604 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448659162 913340964 /nfs/dbraw/zinc/34/09/64/913340964.db2.gz QTSVPRQFRVXCOU-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CCN1 ZINC001340280283 889416515 /nfs/dbraw/zinc/41/65/15/889416515.db2.gz FSFVMPJCCZPHCO-LOWVWBTDSA-N 1 3 255.362 -0.444 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001340281714 889417286 /nfs/dbraw/zinc/41/72/86/889417286.db2.gz HXCXIXUNLHSDQW-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C(NCC1(O)C[NH2+]C1)[C@H]1CNCc2ccccc21 ZINC001340594480 889451763 /nfs/dbraw/zinc/45/17/63/889451763.db2.gz KRFYUHQBRMSCKA-LBPRGKRZSA-N 1 3 261.325 -0.676 20 0 CBADHO [NH3+][C@@H]1C[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)[C@H]2C[C@H]21 ZINC001340617432 889457958 /nfs/dbraw/zinc/45/79/58/889457958.db2.gz XNSKCAJPVNFOEY-QUARPLMYSA-N 1 3 251.330 -0.783 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CCCCC1 ZINC001340658669 889461489 /nfs/dbraw/zinc/46/14/89/889461489.db2.gz CIXGDCLIIDPLAE-AGIUHOORSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001448687811 913350437 /nfs/dbraw/zinc/35/04/37/913350437.db2.gz WBZDPBPKKMCHAP-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(N)=O ZINC001448687811 913350451 /nfs/dbraw/zinc/35/04/51/913350451.db2.gz WBZDPBPKKMCHAP-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001448687805 913351032 /nfs/dbraw/zinc/35/10/32/913351032.db2.gz WBZDPBPKKMCHAP-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(N)=O ZINC001448687805 913351038 /nfs/dbraw/zinc/35/10/38/913351038.db2.gz WBZDPBPKKMCHAP-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001340821956 889493262 /nfs/dbraw/zinc/49/32/62/889493262.db2.gz FMECOLWXHQIHRH-ZYHUDNBSSA-N 1 3 255.362 -0.192 20 0 CBADHO C[NH2+]C1CC(C(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC001340852576 889497881 /nfs/dbraw/zinc/49/78/81/889497881.db2.gz HZTNDLVSDVDMQV-MOENNCHZSA-N 1 3 255.362 -0.179 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854261 889498190 /nfs/dbraw/zinc/49/81/90/889498190.db2.gz PYUNLROBVJKQBL-NDBYEHHHSA-N 1 3 267.373 -0.321 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001340942966 889519532 /nfs/dbraw/zinc/51/95/32/889519532.db2.gz GKWCLFYYIYWTOJ-GHMZBOCLSA-N 1 3 254.378 -0.606 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001448722643 913357313 /nfs/dbraw/zinc/35/73/13/913357313.db2.gz STJDDIKMZXTNLO-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCC1 ZINC001448718322 913358424 /nfs/dbraw/zinc/35/84/24/913358424.db2.gz LIVYBPRNSWYHGI-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001448721410 913358678 /nfs/dbraw/zinc/35/86/78/913358678.db2.gz RXBXDMOHOWVNPT-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC001341370093 889582579 /nfs/dbraw/zinc/58/25/79/889582579.db2.gz VSDYGPHHRXQWOI-UMNHJUIQSA-N 1 3 251.330 -0.767 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001341553930 889622816 /nfs/dbraw/zinc/62/28/16/889622816.db2.gz RILLCKIIXPYQTM-OUAUKWLOSA-N 1 3 252.362 -0.724 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341585007 889628693 /nfs/dbraw/zinc/62/86/93/889628693.db2.gz LMTCPCXVHRAZPR-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO COCCNCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341708179 889651492 /nfs/dbraw/zinc/65/14/92/889651492.db2.gz HEKHLAQTGOGDJX-DTWKUNHWSA-N 1 3 283.294 -0.040 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC001341747371 889657092 /nfs/dbraw/zinc/65/70/92/889657092.db2.gz GOHYXWMUZZGHHK-KXUCPTDWSA-N 1 3 257.334 -0.524 20 0 CBADHO CCO[C@@H](CNC(=O)[C@H](N)CCOC)C[NH+](C)C ZINC001341798382 889666661 /nfs/dbraw/zinc/66/66/61/889666661.db2.gz XJLZUTQRSNQVQW-WDEREUQCSA-N 1 3 261.366 -0.567 20 0 CBADHO O=C(N[C@H]1C[NH2+]CC12CC2)c1[nH]nc2c1CNCC2 ZINC001342098622 889710457 /nfs/dbraw/zinc/71/04/57/889710457.db2.gz JWGDKYSHEDRQMK-JTQLQIEISA-N 1 3 261.329 -0.463 20 0 CBADHO C[C@@H]1C[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC[NH2+]1 ZINC001342215812 889732710 /nfs/dbraw/zinc/73/27/10/889732710.db2.gz PNMGXVNIYAYGSW-MXWKQRLJSA-N 1 3 253.346 -0.378 20 0 CBADHO C[C@@H]1[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CCN1C ZINC001342569258 889792049 /nfs/dbraw/zinc/79/20/49/889792049.db2.gz IQYGXKNCZSVHSQ-NXEZZACHSA-N 1 3 266.349 -0.551 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCN1C ZINC001342571838 889795322 /nfs/dbraw/zinc/79/53/22/889795322.db2.gz YMVUHMGICRPZBA-UTUOFQBUSA-N 1 3 282.388 -0.608 20 0 CBADHO O=C(C[NH2+]C1CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001342695837 889818417 /nfs/dbraw/zinc/81/84/17/889818417.db2.gz KYCQKSNHXLXLFW-QWHCGFSZSA-N 1 3 267.373 -0.204 20 0 CBADHO C[C@]1(C(=O)N2CCC3(CC2)CNCCO3)CC[NH2+]C1 ZINC001342830008 889832516 /nfs/dbraw/zinc/83/25/16/889832516.db2.gz STXVXCXADPCJTK-ZDUSSCGKSA-N 1 3 267.373 -0.033 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001343486934 889918908 /nfs/dbraw/zinc/91/89/08/889918908.db2.gz ORWHGPRVZGAPAV-TZMCWYRMSA-N 1 3 266.389 -0.508 20 0 CBADHO C([C@H]1CNCCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001345137307 890102155 /nfs/dbraw/zinc/10/21/55/890102155.db2.gz LCTNFJIQXZZMRF-CYBMUJFWSA-N 1 3 269.389 -0.181 20 0 CBADHO CCN1CCN(CCC(=O)NCC2([NH3+])CC2)CC1 ZINC001345296236 890118479 /nfs/dbraw/zinc/11/84/79/890118479.db2.gz XEJNXUFLOBHVEP-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO Cc1ocnc1CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC001345633414 890148339 /nfs/dbraw/zinc/14/83/39/890148339.db2.gz HWDWSEAYVNRKLD-GFCCVEGCSA-N 1 3 268.361 -0.319 20 0 CBADHO NC1(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001347161711 890421003 /nfs/dbraw/zinc/42/10/03/890421003.db2.gz XKAZHEPDHAUERM-NSHDSACASA-N 1 3 253.346 -0.153 20 0 CBADHO NS(=O)(=O)CCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC001348447119 890627876 /nfs/dbraw/zinc/62/78/76/890627876.db2.gz NGTUGBNHNBLCRY-LLVKDONJSA-N 1 3 279.406 -0.899 20 0 CBADHO NCc1cn([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001349399168 890806522 /nfs/dbraw/zinc/80/65/22/890806522.db2.gz YUIHCGOFOZBYLY-DGCLKSJQSA-N 1 3 264.377 -0.017 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC001349808202 890896100 /nfs/dbraw/zinc/89/61/00/890896100.db2.gz MFZBDSHADDDCHO-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO COCC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001349817064 890896823 /nfs/dbraw/zinc/89/68/23/890896823.db2.gz GOIKVHAVYSAMNT-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001349816496 890898867 /nfs/dbraw/zinc/89/88/67/890898867.db2.gz OQAXEGPRDNEQLH-JTQLQIEISA-N 1 3 253.346 -0.567 20 0 CBADHO COCCNCC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001349916277 890911901 /nfs/dbraw/zinc/91/19/01/890911901.db2.gz IYLCWABXLMIPDY-VIFPVBQESA-N 1 3 265.304 -0.417 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001349907656 890912967 /nfs/dbraw/zinc/91/29/67/890912967.db2.gz NQQRFZKMMNSEQJ-SFYZADRCSA-N 1 3 251.277 -0.679 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC001350224133 890951698 /nfs/dbraw/zinc/95/16/98/890951698.db2.gz SPVTVLIIRLMEJI-MGCOHNPYSA-N 1 3 254.334 -0.893 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)C1 ZINC001449220899 913546891 /nfs/dbraw/zinc/54/68/91/913546891.db2.gz XXTKKJNBZZRCNK-OLZOCXBDSA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001449220899 913546907 /nfs/dbraw/zinc/54/69/07/913546907.db2.gz XXTKKJNBZZRCNK-OLZOCXBDSA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@H]1C[C@H](NC(=O)c2c(CN)cnn2C)CC[NH2+]1 ZINC001352839688 891305441 /nfs/dbraw/zinc/30/54/41/891305441.db2.gz QALSUUIZHPZFPI-WCBMZHEXSA-N 1 3 251.334 -0.251 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](N)CC[NH+](C)C ZINC001352862020 891313382 /nfs/dbraw/zinc/31/33/82/891313382.db2.gz LRCDQRIDPFUSIT-YNEHKIRRSA-N 1 3 268.405 -0.040 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001353034478 891343662 /nfs/dbraw/zinc/34/36/62/891343662.db2.gz IGCQMRPCQNHXCK-DCAQKATOSA-N 1 3 259.325 -0.477 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001353279702 891392595 /nfs/dbraw/zinc/39/25/95/891392595.db2.gz YTKSZLWBGNSKSN-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO [NH3+]CCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001353423968 891426157 /nfs/dbraw/zinc/42/61/57/891426157.db2.gz FWZKTWYDVOPSMY-CHWSQXEVSA-N 1 3 284.404 -0.034 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001353522131 891439752 /nfs/dbraw/zinc/43/97/52/891439752.db2.gz LWVYRAJSYLQAMW-XYPYZODXSA-N 1 3 258.366 -0.663 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001353548549 891444139 /nfs/dbraw/zinc/44/41/39/891444139.db2.gz KOJJIYAKBVAZMQ-YNEHKIRRSA-N 1 3 268.405 -0.121 20 0 CBADHO CS(=O)(=O)C[C@H](O)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC001354238552 891544542 /nfs/dbraw/zinc/54/45/42/891544542.db2.gz XGDWYKJHRHPZDQ-MXWKQRLJSA-N 1 3 264.391 -0.501 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001354318470 891563868 /nfs/dbraw/zinc/56/38/68/891563868.db2.gz IAUSJBWZHDDXFY-DRZSPHRISA-N 1 3 267.373 -0.049 20 0 CBADHO CN(C)CC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001354905366 891626909 /nfs/dbraw/zinc/62/69/09/891626909.db2.gz OZMGFVBVZFIAFT-CYBMUJFWSA-N 1 3 263.345 -0.455 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001354894266 891627326 /nfs/dbraw/zinc/62/73/26/891627326.db2.gz UAHXJSZVAXXFBM-FIQHERPVSA-N 1 3 255.362 -0.038 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001355520866 891687429 /nfs/dbraw/zinc/68/74/29/891687429.db2.gz QDERZKIFDKYRLS-VXGBXAGGSA-N 1 3 254.378 -0.462 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@H]1CNCCO1 ZINC001355598853 891695654 /nfs/dbraw/zinc/69/56/54/891695654.db2.gz IVZAGUFKMVLBNX-GMXVVIOVSA-N 1 3 253.346 -0.295 20 0 CBADHO NOCCCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001356083397 891725477 /nfs/dbraw/zinc/72/54/77/891725477.db2.gz OLCOGTWBRHKBID-SNVBAGLBSA-N 1 3 254.338 -0.427 20 0 CBADHO NC(=O)NC(=O)CC[NH2+][C@H]1C[C@@H](N2CCCC2)C1 ZINC001357241016 891861453 /nfs/dbraw/zinc/86/14/53/891861453.db2.gz FMEOJYYXQBMSSG-AOOOYVTPSA-N 1 3 254.334 -0.212 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)C[C@H](O)C[NH3+])C[C@H](C)O1 ZINC001357366149 891875951 /nfs/dbraw/zinc/87/59/51/891875951.db2.gz FFBYBGGFIIMTOU-XQQFMLRXSA-N 1 3 287.404 -0.298 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001357457415 891896577 /nfs/dbraw/zinc/89/65/77/891896577.db2.gz JEXURISTIXVKFE-LPEHRKFASA-N 1 3 257.334 -0.524 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001357474928 891903239 /nfs/dbraw/zinc/90/32/39/891903239.db2.gz SDFHRLUKHSYDLZ-VXGBXAGGSA-N 1 3 254.378 -0.462 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001357813159 891936371 /nfs/dbraw/zinc/93/63/71/891936371.db2.gz XYOLUZDFEIWMLT-LLVKDONJSA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CCN1C ZINC001358185323 891977694 /nfs/dbraw/zinc/97/76/94/891977694.db2.gz IUGBEGJYSHCPRS-MNOVXSKESA-N 1 3 280.376 -0.161 20 0 CBADHO CCN1CC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755467 892220317 /nfs/dbraw/zinc/22/03/17/892220317.db2.gz NCHWYPSJDMXLRB-LBPRGKRZSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001364418095 894402632 /nfs/dbraw/zinc/40/26/32/894402632.db2.gz OOEVLTFWROZEQD-LSDHHAIUSA-N 1 3 285.432 -0.313 20 0 CBADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001364418095 894402646 /nfs/dbraw/zinc/40/26/46/894402646.db2.gz OOEVLTFWROZEQD-LSDHHAIUSA-N 1 3 285.432 -0.313 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001365821642 895127906 /nfs/dbraw/zinc/12/79/06/895127906.db2.gz PFWQGUXEDXUFRW-FVCCEPFGSA-N 1 3 298.431 -0.069 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001365850412 895131704 /nfs/dbraw/zinc/13/17/04/895131704.db2.gz XYBCTLYTAVXSKJ-DDHJBXDOSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001365850406 895131992 /nfs/dbraw/zinc/13/19/92/895131992.db2.gz XXJDSVZFNOHGPO-ZDEQEGDKSA-N 1 3 296.415 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365854115 895136551 /nfs/dbraw/zinc/13/65/51/895136551.db2.gz XHQMSXQBVTZUEC-JHJVBQTASA-N 1 3 296.415 -0.301 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001366050062 895179307 /nfs/dbraw/zinc/17/93/07/895179307.db2.gz QXJYGEMBQGOJEP-GFCCVEGCSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](N[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070349 895180681 /nfs/dbraw/zinc/18/06/81/895180681.db2.gz WVUGDCWGZOTIJX-ZYHUDNBSSA-N 1 3 294.399 -0.560 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001366097351 895188681 /nfs/dbraw/zinc/18/86/81/895188681.db2.gz GVMMOZGLSAARPR-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001366105125 895191511 /nfs/dbraw/zinc/19/15/11/895191511.db2.gz RBKBODHWWSATFX-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001366105125 895191515 /nfs/dbraw/zinc/19/15/15/895191515.db2.gz RBKBODHWWSATFX-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001366187024 895219270 /nfs/dbraw/zinc/21/92/70/895219270.db2.gz ANMDRMQHSDBSTN-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358231 895288166 /nfs/dbraw/zinc/28/81/66/895288166.db2.gz NPFHODZCHQPVAA-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358231 895288176 /nfs/dbraw/zinc/28/81/76/895288176.db2.gz NPFHODZCHQPVAA-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366389839 895306164 /nfs/dbraw/zinc/30/61/64/895306164.db2.gz IKEZVRCDMOZVFA-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366384363 895307587 /nfs/dbraw/zinc/30/75/87/895307587.db2.gz AFNXMHNLMSDQND-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001366392333 895309124 /nfs/dbraw/zinc/30/91/24/895309124.db2.gz PEISUICWVKVDGJ-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001366392333 895309142 /nfs/dbraw/zinc/30/91/42/895309142.db2.gz PEISUICWVKVDGJ-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)COC ZINC001366639145 895416721 /nfs/dbraw/zinc/41/67/21/895416721.db2.gz FHJLGKHBMRGIKB-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)COC ZINC001366639145 895416727 /nfs/dbraw/zinc/41/67/27/895416727.db2.gz FHJLGKHBMRGIKB-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001366768216 895454238 /nfs/dbraw/zinc/45/42/38/895454238.db2.gz NNRYQILQRMZXLV-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001367130574 895571995 /nfs/dbraw/zinc/57/19/95/895571995.db2.gz XECXEXILDGZUOH-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC ZINC001367131694 895575515 /nfs/dbraw/zinc/57/55/15/895575515.db2.gz JWIKHZVZAMBRQS-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC(=O)NC ZINC001367131692 895576207 /nfs/dbraw/zinc/57/62/07/895576207.db2.gz JWIKHZVZAMBRQS-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CN(CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1)C1CCC1 ZINC001367158423 895578693 /nfs/dbraw/zinc/57/86/93/895578693.db2.gz RYQVJQIFBQLZNF-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367324577 895617314 /nfs/dbraw/zinc/61/73/14/895617314.db2.gz PHIONRCZQFDMOJ-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381674 895629178 /nfs/dbraw/zinc/62/91/78/895629178.db2.gz ZSWXTNITCDOSKR-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367406829 895632439 /nfs/dbraw/zinc/63/24/39/895632439.db2.gz QQLKTVLBASJIMM-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367406829 895632444 /nfs/dbraw/zinc/63/24/44/895632444.db2.gz QQLKTVLBASJIMM-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367406828 895632602 /nfs/dbraw/zinc/63/26/02/895632602.db2.gz QQLKTVLBASJIMM-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367406828 895632606 /nfs/dbraw/zinc/63/26/06/895632606.db2.gz QQLKTVLBASJIMM-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001367412658 895632985 /nfs/dbraw/zinc/63/29/85/895632985.db2.gz JXWQDQAZNKCHOU-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001367401856 895633174 /nfs/dbraw/zinc/63/31/74/895633174.db2.gz GFNAVPKWFZDNHD-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(N)=O ZINC001367456395 895638349 /nfs/dbraw/zinc/63/83/49/895638349.db2.gz YSYXTSSXHOQANO-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(N)=O ZINC001367456393 895639390 /nfs/dbraw/zinc/63/93/90/895639390.db2.gz YSYXTSSXHOQANO-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001367451830 895639921 /nfs/dbraw/zinc/63/99/21/895639921.db2.gz VIDCVEJIQDESLY-RYUDHWBXSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558098 895661755 /nfs/dbraw/zinc/66/17/55/895661755.db2.gz BRDUZPJNQRXYEP-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367606788 895697392 /nfs/dbraw/zinc/69/73/92/895697392.db2.gz OOIVBSBXIJEOBO-RYUDHWBXSA-N 1 3 287.404 -0.692 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CCCN1C ZINC001367662942 895732082 /nfs/dbraw/zinc/73/20/82/895732082.db2.gz VBGFSZBKDKSEHU-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367681726 895745249 /nfs/dbraw/zinc/74/52/49/895745249.db2.gz ABBWEILYTCQVNX-VXGBXAGGSA-N 1 3 286.420 -0.116 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001367681519 895745674 /nfs/dbraw/zinc/74/56/74/895745674.db2.gz SWLBVEZOJQPDAM-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367697014 895755553 /nfs/dbraw/zinc/75/55/53/895755553.db2.gz UOZSKJTYTAVAEX-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711112 895759148 /nfs/dbraw/zinc/75/91/48/895759148.db2.gz DVOLZKQCBDFTFW-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711112 895759154 /nfs/dbraw/zinc/75/91/54/895759154.db2.gz DVOLZKQCBDFTFW-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367750058 895786172 /nfs/dbraw/zinc/78/61/72/895786172.db2.gz UXKUOXXLXGAYJW-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367765556 895797671 /nfs/dbraw/zinc/79/76/71/895797671.db2.gz CDZYKDAYZOGIGR-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368111027 895914214 /nfs/dbraw/zinc/91/42/14/895914214.db2.gz RVTXOCLYUXMLEG-MELADBBJSA-N 1 3 299.415 -0.332 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001368109976 895915728 /nfs/dbraw/zinc/91/57/28/895915728.db2.gz PELGANKJFZZBAZ-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368255034 895942981 /nfs/dbraw/zinc/94/29/81/895942981.db2.gz ITPGTEZZLBWBTI-DZGCQCFKSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368255034 895942989 /nfs/dbraw/zinc/94/29/89/895942989.db2.gz ITPGTEZZLBWBTI-DZGCQCFKSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368255044 895945957 /nfs/dbraw/zinc/94/59/57/895945957.db2.gz ITPGTEZZLBWBTI-UKRRQHHQSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368255044 895945962 /nfs/dbraw/zinc/94/59/62/895945962.db2.gz ITPGTEZZLBWBTI-UKRRQHHQSA-N 1 3 299.415 -0.594 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001368502686 896022699 /nfs/dbraw/zinc/02/26/99/896022699.db2.gz XYBCTLYTAVXSKJ-YFKTTZPYSA-N 1 3 284.404 -0.315 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001368823981 896091975 /nfs/dbraw/zinc/09/19/75/896091975.db2.gz RTTCFCCQSMSESF-UNXYVOJBSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001369178904 896164896 /nfs/dbraw/zinc/16/48/96/896164896.db2.gz GGWBFQSDHJKHPU-LPWJVIDDSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001369188894 896166925 /nfs/dbraw/zinc/16/69/25/896166925.db2.gz ZPXVCKSANSBTRY-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001369194355 896168915 /nfs/dbraw/zinc/16/89/15/896168915.db2.gz BYEMUDNNSOJAAY-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001369272154 896184684 /nfs/dbraw/zinc/18/46/84/896184684.db2.gz MJBGIXOQDBUNAC-WDEREUQCSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369272900 896185702 /nfs/dbraw/zinc/18/57/02/896185702.db2.gz NPYNTYNKKCLPIQ-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001369278474 896185915 /nfs/dbraw/zinc/18/59/15/896185915.db2.gz SMXFNMXITQRIGT-RYUDHWBXSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299847 896190434 /nfs/dbraw/zinc/19/04/34/896190434.db2.gz CGZFTDUUBCHLCR-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299847 896190437 /nfs/dbraw/zinc/19/04/37/896190437.db2.gz CGZFTDUUBCHLCR-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001369307565 896196568 /nfs/dbraw/zinc/19/65/68/896196568.db2.gz HTVYYJFRSQLLPU-STQMWFEESA-N 1 3 298.431 -0.006 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369312471 896203212 /nfs/dbraw/zinc/20/32/12/896203212.db2.gz ZUXICFUHZNKASH-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369312471 896203223 /nfs/dbraw/zinc/20/32/23/896203223.db2.gz ZUXICFUHZNKASH-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001369395231 896257165 /nfs/dbraw/zinc/25/71/65/896257165.db2.gz RUFAAQYLRIYMLR-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001369395231 896257180 /nfs/dbraw/zinc/25/71/80/896257180.db2.gz RUFAAQYLRIYMLR-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001369405368 896258288 /nfs/dbraw/zinc/25/82/88/896258288.db2.gz OLFLXGXWTRWLFQ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001369518343 896304536 /nfs/dbraw/zinc/30/45/36/896304536.db2.gz YNLNOVJMDWKVFW-GFCCVEGCSA-N 1 3 275.393 -0.930 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001369518343 896304553 /nfs/dbraw/zinc/30/45/53/896304553.db2.gz YNLNOVJMDWKVFW-GFCCVEGCSA-N 1 3 275.393 -0.930 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230153 896413612 /nfs/dbraw/zinc/41/36/12/896413612.db2.gz VBIZRZXYQYGGKK-CMPLNLGQSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001370486447 896438195 /nfs/dbraw/zinc/43/81/95/896438195.db2.gz DSOKNHAILLANRG-DDHJBXDOSA-N 1 3 284.404 -0.302 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001370632255 896452759 /nfs/dbraw/zinc/45/27/59/896452759.db2.gz ADVKWRJFYNTXBX-UMNHJUIQSA-N 1 3 270.377 -0.705 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001370682214 896478193 /nfs/dbraw/zinc/47/81/93/896478193.db2.gz UZFHPLPUYDBXLX-TXEJJXNPSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001370801816 896504651 /nfs/dbraw/zinc/50/46/51/896504651.db2.gz CXCWHIAXMLHNOS-OCCSQVGLSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCn1cncn1 ZINC001371213330 896577311 /nfs/dbraw/zinc/57/73/11/896577311.db2.gz QKJDPVAORHTJKA-GFCCVEGCSA-N 1 3 294.403 -0.143 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001371346720 896597470 /nfs/dbraw/zinc/59/74/70/896597470.db2.gz MVERXRAJAZAGPU-SNVBAGLBSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361731 896597919 /nfs/dbraw/zinc/59/79/19/896597919.db2.gz GORGCPCHIYQSLF-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC ZINC001371412242 896605498 /nfs/dbraw/zinc/60/54/98/896605498.db2.gz WUWINNXGBSVVKR-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC ZINC001371412242 896605507 /nfs/dbraw/zinc/60/55/07/896605507.db2.gz WUWINNXGBSVVKR-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001371411378 896607031 /nfs/dbraw/zinc/60/70/31/896607031.db2.gz UXRCJFUPCYXVNF-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001371411378 896607034 /nfs/dbraw/zinc/60/70/34/896607034.db2.gz UXRCJFUPCYXVNF-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001371424414 896609868 /nfs/dbraw/zinc/60/98/68/896609868.db2.gz IBJIYAPOZZHYQM-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001371539037 896633619 /nfs/dbraw/zinc/63/36/19/896633619.db2.gz PCYDQMZFJXAYEM-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001371539037 896633627 /nfs/dbraw/zinc/63/36/27/896633627.db2.gz PCYDQMZFJXAYEM-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001371986903 896702481 /nfs/dbraw/zinc/70/24/81/896702481.db2.gz MIOQBVCZDCZZAM-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001372942202 896909186 /nfs/dbraw/zinc/90/91/86/896909186.db2.gz PZNZUTFAMOMVAH-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001372942202 896909194 /nfs/dbraw/zinc/90/91/94/896909194.db2.gz PZNZUTFAMOMVAH-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994106 896920690 /nfs/dbraw/zinc/92/06/90/896920690.db2.gz TZIFJPQVVIJQKX-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994106 896920704 /nfs/dbraw/zinc/92/07/04/896920704.db2.gz TZIFJPQVVIJQKX-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO C[NH+]1CCC(OCC(=O)NCC2CN(CCCO)C2)CC1 ZINC001373548256 897048509 /nfs/dbraw/zinc/04/85/09/897048509.db2.gz RSGGSDIQRFJOJX-UHFFFAOYSA-N 1 3 299.415 -0.472 20 0 CBADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001453657692 914126414 /nfs/dbraw/zinc/12/64/14/914126414.db2.gz ROBOMAXOIRXSKW-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001373914064 897137771 /nfs/dbraw/zinc/13/77/71/897137771.db2.gz AHEZCIYMMBZUKE-HAQNSBGRSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373973132 897145581 /nfs/dbraw/zinc/14/55/81/897145581.db2.gz SYUDUSZVPNITCJ-LLVKDONJSA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001453700224 914131950 /nfs/dbraw/zinc/13/19/50/914131950.db2.gz DSXZFBLBTKZWQV-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001374098947 897171370 /nfs/dbraw/zinc/17/13/70/897171370.db2.gz QBHVUMRKTOQMIE-MNOVXSKESA-N 1 3 272.393 -0.586 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001374210058 897190804 /nfs/dbraw/zinc/19/08/04/897190804.db2.gz YPLTVHHVWCUKRA-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287345 897208227 /nfs/dbraw/zinc/20/82/27/897208227.db2.gz MJMSRFQGOLSAPO-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001374682643 897343289 /nfs/dbraw/zinc/34/32/89/897343289.db2.gz XVJQWPUWFPAOQQ-VXGBXAGGSA-N 1 3 296.371 -0.636 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001374933248 897438514 /nfs/dbraw/zinc/43/85/14/897438514.db2.gz GKFIHMXPSYQRJC-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001374962904 897441998 /nfs/dbraw/zinc/44/19/98/897441998.db2.gz NIOJNEASZRQAHN-WCQYABFASA-N 1 3 286.420 -0.245 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374961925 897443005 /nfs/dbraw/zinc/44/30/05/897443005.db2.gz NXQHPMXLMGZOSS-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374961925 897443010 /nfs/dbraw/zinc/44/30/10/897443010.db2.gz NXQHPMXLMGZOSS-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524109 897558848 /nfs/dbraw/zinc/55/88/48/897558848.db2.gz ZVDYQDKZVXRGFZ-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524109 897558857 /nfs/dbraw/zinc/55/88/57/897558857.db2.gz ZVDYQDKZVXRGFZ-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001375546837 897564339 /nfs/dbraw/zinc/56/43/39/897564339.db2.gz ZLSWQZWHCPBKIV-NEPJUHHUSA-N 1 3 294.399 -0.545 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001375546837 897564350 /nfs/dbraw/zinc/56/43/50/897564350.db2.gz ZLSWQZWHCPBKIV-NEPJUHHUSA-N 1 3 294.399 -0.545 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764305 897601735 /nfs/dbraw/zinc/60/17/35/897601735.db2.gz ORVDZPNYEKGRNS-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001375747548 897602140 /nfs/dbraw/zinc/60/21/40/897602140.db2.gz RTXJYYWTPNZLFK-MNOVXSKESA-N 1 3 293.371 -0.333 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001375750104 897602276 /nfs/dbraw/zinc/60/22/76/897602276.db2.gz UACCLVHEOYUORL-STQMWFEESA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001375750104 897602286 /nfs/dbraw/zinc/60/22/86/897602286.db2.gz UACCLVHEOYUORL-STQMWFEESA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375763842 897603851 /nfs/dbraw/zinc/60/38/51/897603851.db2.gz NQUSTHIYRMZZEI-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001375879425 897620008 /nfs/dbraw/zinc/62/00/08/897620008.db2.gz LGZRZLGQQHMIAJ-IUODEOHRSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376364249 897719825 /nfs/dbraw/zinc/71/98/25/897719825.db2.gz FDIJKYWRHGXWED-JHJVBQTASA-N 1 3 299.415 -0.285 20 0 CBADHO CC[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001376406446 897726452 /nfs/dbraw/zinc/72/64/52/897726452.db2.gz ZASGCOHVSSUYJI-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001376556367 897777979 /nfs/dbraw/zinc/77/79/79/897777979.db2.gz BRSNICHFXAGYBA-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001376606912 897783465 /nfs/dbraw/zinc/78/34/65/897783465.db2.gz DZXKCFVKTUBQPJ-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001376727978 897825741 /nfs/dbraw/zinc/82/57/41/897825741.db2.gz DQOOFDWMBXDETO-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001376727978 897825747 /nfs/dbraw/zinc/82/57/47/897825747.db2.gz DQOOFDWMBXDETO-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001376758494 897834981 /nfs/dbraw/zinc/83/49/81/897834981.db2.gz GAIMJNVIXFKMSQ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001376802133 897849692 /nfs/dbraw/zinc/84/96/92/897849692.db2.gz OXLCVKIHWBCWDD-STQMWFEESA-N 1 3 294.403 -0.286 20 0 CBADHO CC[C@@H](N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853903 897871426 /nfs/dbraw/zinc/87/14/26/897871426.db2.gz JKVPNEMTRCBKRR-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376913602 897892476 /nfs/dbraw/zinc/89/24/76/897892476.db2.gz BNHIORMVQLEVJS-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376940270 897897053 /nfs/dbraw/zinc/89/70/53/897897053.db2.gz MCMSQRJZZQNGME-HZSPNIEDSA-N 1 3 299.415 -0.474 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377235202 897980149 /nfs/dbraw/zinc/98/01/49/897980149.db2.gz AHMIECHBSGMKOT-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001377576252 898092450 /nfs/dbraw/zinc/09/24/50/898092450.db2.gz BIKZWQYGZDNHDT-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001377576249 898092554 /nfs/dbraw/zinc/09/25/54/898092554.db2.gz BIKZWQYGZDNHDT-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001377590180 898096612 /nfs/dbraw/zinc/09/66/12/898096612.db2.gz DRFJWFZJNMKJPZ-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001377589107 898098394 /nfs/dbraw/zinc/09/83/94/898098394.db2.gz HOLKWQXSMCLVJQ-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001377589107 898098402 /nfs/dbraw/zinc/09/84/02/898098402.db2.gz HOLKWQXSMCLVJQ-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)N(C)C ZINC001377735093 898123731 /nfs/dbraw/zinc/12/37/31/898123731.db2.gz HNZJVTQMIWHCKZ-VQXHTEKXSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001377829669 898143035 /nfs/dbraw/zinc/14/30/35/898143035.db2.gz SAWMIFCUASDLBX-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001377829664 898143004 /nfs/dbraw/zinc/14/30/04/898143004.db2.gz SAWMIFCUASDLBX-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857890 898150487 /nfs/dbraw/zinc/15/04/87/898150487.db2.gz IVHGKFWSTMTVLA-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001378333585 898314849 /nfs/dbraw/zinc/31/48/49/898314849.db2.gz DLEQXUWLBMDQON-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001378333600 898317624 /nfs/dbraw/zinc/31/76/24/898317624.db2.gz DLEQXUWLBMDQON-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378382262 898325898 /nfs/dbraw/zinc/32/58/98/898325898.db2.gz JQXOMMINQDHRFB-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378382262 898325914 /nfs/dbraw/zinc/32/59/14/898325914.db2.gz JQXOMMINQDHRFB-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378862020 898428131 /nfs/dbraw/zinc/42/81/31/898428131.db2.gz VKEYQEKQGRLORY-STQMWFEESA-N 1 3 298.431 -0.006 20 0 CBADHO CNC(=O)CN(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001378922304 898431057 /nfs/dbraw/zinc/43/10/57/898431057.db2.gz KJJVHQHUXQWEEZ-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)N(C)C ZINC001378995820 898441698 /nfs/dbraw/zinc/44/16/98/898441698.db2.gz GEOMSFXNOFEKKK-MNOVXSKESA-N 1 3 272.393 -0.458 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001379134322 898474671 /nfs/dbraw/zinc/47/46/71/898474671.db2.gz JFCOEEBOPHQNMQ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001379134322 898474680 /nfs/dbraw/zinc/47/46/80/898474680.db2.gz JFCOEEBOPHQNMQ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001379285703 898534271 /nfs/dbraw/zinc/53/42/71/898534271.db2.gz QCDYDTMXEQYAID-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001379291579 898539574 /nfs/dbraw/zinc/53/95/74/898539574.db2.gz XVHQJYYZAYKDOM-AAEUAGOBSA-N 1 3 286.420 -0.245 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001379383757 898593538 /nfs/dbraw/zinc/59/35/38/898593538.db2.gz NBFCUQYMMGCGCI-ZYHUDNBSSA-N 1 3 284.404 -0.301 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001379449051 898617576 /nfs/dbraw/zinc/61/75/76/898617576.db2.gz LNUJBZYBABTOCR-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001379449051 898617583 /nfs/dbraw/zinc/61/75/83/898617583.db2.gz LNUJBZYBABTOCR-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001379465593 898624542 /nfs/dbraw/zinc/62/45/42/898624542.db2.gz KGLOADPUEBIBEC-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001379517759 898650104 /nfs/dbraw/zinc/65/01/04/898650104.db2.gz WSRAHVMSTWSBAY-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001379518057 898655585 /nfs/dbraw/zinc/65/55/85/898655585.db2.gz YJRBRXCLGAINLB-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379533362 898660756 /nfs/dbraw/zinc/66/07/56/898660756.db2.gz UQFAVUQURTZTBW-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001379598214 898678970 /nfs/dbraw/zinc/67/89/70/898678970.db2.gz JWGYPFPTPFFRMM-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893193 898755912 /nfs/dbraw/zinc/75/59/12/898755912.db2.gz LEYJCUZTUKQVFC-ZYHUDNBSSA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087502 898805291 /nfs/dbraw/zinc/80/52/91/898805291.db2.gz CYNZJEWZJFGPAU-NEPJUHHUSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087502 898805301 /nfs/dbraw/zinc/80/53/01/898805301.db2.gz CYNZJEWZJFGPAU-NEPJUHHUSA-N 1 3 298.431 -0.195 20 0 CBADHO CC[C@@H](C(=O)NCC1([NH2+]CCO)CCOCC1)N(C)C ZINC001380504521 898878964 /nfs/dbraw/zinc/87/89/64/898878964.db2.gz JKGYBQCXFNMZAZ-LBPRGKRZSA-N 1 3 287.404 -0.426 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001380919232 898969139 /nfs/dbraw/zinc/96/91/39/898969139.db2.gz SOFQNZHOWOPXGP-WCQYABFASA-N 1 3 296.371 -0.196 20 0 CBADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381116300 898998807 /nfs/dbraw/zinc/99/88/07/898998807.db2.gz LSBNJNYSFBLXNV-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381102910 899000071 /nfs/dbraw/zinc/00/00/71/899000071.db2.gz LLWWUPAGMRGQAJ-NEPJUHHUSA-N 1 3 296.415 -0.489 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277583 899023391 /nfs/dbraw/zinc/02/33/91/899023391.db2.gz DUVFWQWJQWHRHI-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277583 899023406 /nfs/dbraw/zinc/02/34/06/899023406.db2.gz DUVFWQWJQWHRHI-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001381973002 899137193 /nfs/dbraw/zinc/13/71/93/899137193.db2.gz QRGUHURNIOSQAK-JOCQHMNTSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)CCC1 ZINC001382022216 899143261 /nfs/dbraw/zinc/14/32/61/899143261.db2.gz YSQFXECWZUWUAL-LBPRGKRZSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001382128710 899160797 /nfs/dbraw/zinc/16/07/97/899160797.db2.gz UIKCBJOCFRQMSA-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315100 899248403 /nfs/dbraw/zinc/24/84/03/899248403.db2.gz LOOGPWGZBDVPLK-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001387781469 899829424 /nfs/dbraw/zinc/82/94/24/899829424.db2.gz SSFKGMBFPGXBOH-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001387781469 899829429 /nfs/dbraw/zinc/82/94/29/899829429.db2.gz SSFKGMBFPGXBOH-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001388060354 899864378 /nfs/dbraw/zinc/86/43/78/899864378.db2.gz XGPWZUJSUUGYCX-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001388060353 899864495 /nfs/dbraw/zinc/86/44/95/899864495.db2.gz XGPWZUJSUUGYCX-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001388697969 899902269 /nfs/dbraw/zinc/90/22/69/899902269.db2.gz KTVQUFVPKNRBDV-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001388722111 899905314 /nfs/dbraw/zinc/90/53/14/899905314.db2.gz SDBPEXUVUCAKLA-HAQNSBGRSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001389609363 900049573 /nfs/dbraw/zinc/04/95/73/900049573.db2.gz PBDRKMAQRMLGQP-PWSUYJOCSA-N 1 3 296.415 -0.171 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389774003 900066382 /nfs/dbraw/zinc/06/63/82/900066382.db2.gz NOONMRGJOBOFRY-AVGNSLFASA-N 1 3 298.431 -0.102 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389813159 900078438 /nfs/dbraw/zinc/07/84/38/900078438.db2.gz AKVYMWICLFDMPP-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001389864593 900085269 /nfs/dbraw/zinc/08/52/69/900085269.db2.gz WEXFDXUZHLWAST-BJDJZHNGSA-N 1 3 284.404 -0.317 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389905925 900089349 /nfs/dbraw/zinc/08/93/49/900089349.db2.gz LCORCVYAQLILSO-IJLUTSLNSA-N 1 3 282.388 -0.548 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001390039567 900108509 /nfs/dbraw/zinc/10/85/09/900108509.db2.gz SKWLSDSOYHGBES-FRRDWIJNSA-N 1 3 296.415 -0.206 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390411554 900153168 /nfs/dbraw/zinc/15/31/68/900153168.db2.gz XLRFFAFMLJERFG-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390411554 900153176 /nfs/dbraw/zinc/15/31/76/900153176.db2.gz XLRFFAFMLJERFG-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462739 900166709 /nfs/dbraw/zinc/16/67/09/900166709.db2.gz NHNZOJWRQFPICZ-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001390477649 900170716 /nfs/dbraw/zinc/17/07/16/900170716.db2.gz WOVMVRSFCGGATH-LLVKDONJSA-N 1 3 286.420 -0.053 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001390501911 900175916 /nfs/dbraw/zinc/17/59/16/900175916.db2.gz BLVWIUVSWZKLSJ-LLVKDONJSA-N 1 3 296.415 -0.312 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390538776 900184143 /nfs/dbraw/zinc/18/41/43/900184143.db2.gz PAFSCUSQJVVIAL-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001390564384 900190228 /nfs/dbraw/zinc/19/02/28/900190228.db2.gz AIIARFTXFLBMNJ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001390564384 900190233 /nfs/dbraw/zinc/19/02/33/900190233.db2.gz AIIARFTXFLBMNJ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001390600576 900196190 /nfs/dbraw/zinc/19/61/90/900196190.db2.gz AJESMORUCOFGOQ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001390601801 900196297 /nfs/dbraw/zinc/19/62/97/900196297.db2.gz CVHMLMKMROBFCJ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001391028160 900292930 /nfs/dbraw/zinc/29/29/30/900292930.db2.gz WPMVNHGCNJPPDL-ZDUSSCGKSA-N 1 3 294.403 -0.332 20 0 CBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001391028160 900292935 /nfs/dbraw/zinc/29/29/35/900292935.db2.gz WPMVNHGCNJPPDL-ZDUSSCGKSA-N 1 3 294.403 -0.332 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001391028158 900293376 /nfs/dbraw/zinc/29/33/76/900293376.db2.gz WPMVNHGCNJPPDL-CYBMUJFWSA-N 1 3 294.403 -0.332 20 0 CBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001391028158 900293389 /nfs/dbraw/zinc/29/33/89/900293389.db2.gz WPMVNHGCNJPPDL-CYBMUJFWSA-N 1 3 294.403 -0.332 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226456 900344258 /nfs/dbraw/zinc/34/42/58/900344258.db2.gz IOTRFVHKRQKVKA-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226456 900344265 /nfs/dbraw/zinc/34/42/65/900344265.db2.gz IOTRFVHKRQKVKA-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001391227897 900347627 /nfs/dbraw/zinc/34/76/27/900347627.db2.gz MZUSORPXNUJOPO-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCNC1=O ZINC001391745569 900444177 /nfs/dbraw/zinc/44/41/77/900444177.db2.gz VWYKTRNVLUTBSA-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001391745572 900444514 /nfs/dbraw/zinc/44/45/14/900444514.db2.gz VWYKTRNVLUTBSA-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001392125056 900521422 /nfs/dbraw/zinc/52/14/22/900521422.db2.gz VUGBHLGYUOPSIC-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001392125056 900521415 /nfs/dbraw/zinc/52/14/15/900521415.db2.gz VUGBHLGYUOPSIC-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348346 900574937 /nfs/dbraw/zinc/57/49/37/900574937.db2.gz YBCNSXRVXHTVRX-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cccnc2)C1 ZINC001392424844 900614842 /nfs/dbraw/zinc/61/48/42/900614842.db2.gz KLQGLZOTAPBVMH-KBPBESRZSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cccnc2)C1 ZINC001392424844 900614844 /nfs/dbraw/zinc/61/48/44/900614844.db2.gz KLQGLZOTAPBVMH-KBPBESRZSA-N 1 3 292.383 -0.400 20 0 CBADHO C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001392441692 900620381 /nfs/dbraw/zinc/62/03/81/900620381.db2.gz IBGVMNSYLDGYRE-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CN[C@H]1CCNC1=O)[NH+](C)C ZINC001392506407 900640127 /nfs/dbraw/zinc/64/01/27/900640127.db2.gz XLZLGKFVXVJOJN-GRYCIOLGSA-N 1 3 284.404 -0.445 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392504670 900641734 /nfs/dbraw/zinc/64/17/34/900641734.db2.gz MLYZJXHCNHUVAS-KXNHARMFSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392504670 900641737 /nfs/dbraw/zinc/64/17/37/900641737.db2.gz MLYZJXHCNHUVAS-KXNHARMFSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392607438 900672799 /nfs/dbraw/zinc/67/27/99/900672799.db2.gz DVGKYWBRJBWPME-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001392609253 900676824 /nfs/dbraw/zinc/67/68/24/900676824.db2.gz VGYURMWOOUVQQW-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392608763 900677012 /nfs/dbraw/zinc/67/70/12/900677012.db2.gz SLFVDXLRFBLTEO-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392616519 900678702 /nfs/dbraw/zinc/67/87/02/900678702.db2.gz HEOCXVIPSOAVRT-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001392913266 900759808 /nfs/dbraw/zinc/75/98/08/900759808.db2.gz UQXPMHJJHKBMPA-LBPRGKRZSA-N 1 3 299.415 -0.284 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393164067 900799722 /nfs/dbraw/zinc/79/97/22/900799722.db2.gz PODCRVLOTVXHJJ-IUODEOHRSA-N 1 3 296.415 -0.358 20 0 CBADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393644797 900885852 /nfs/dbraw/zinc/88/58/52/900885852.db2.gz QBTDTMMXRJXRMF-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393644797 900885856 /nfs/dbraw/zinc/88/58/56/900885856.db2.gz QBTDTMMXRJXRMF-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001393747036 900903354 /nfs/dbraw/zinc/90/33/54/900903354.db2.gz VYWMPIXNNIZNDN-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001393829460 900913115 /nfs/dbraw/zinc/91/31/15/900913115.db2.gz COMJJKMPPBNISA-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001394004971 900947099 /nfs/dbraw/zinc/94/70/99/900947099.db2.gz URYHNPJPNTXNTF-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394026959 900952815 /nfs/dbraw/zinc/95/28/15/900952815.db2.gz CASCYSBRFHANBH-UHFFFAOYSA-N 1 3 295.387 -0.228 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001394370763 901019813 /nfs/dbraw/zinc/01/98/13/901019813.db2.gz AABFXNVGOCCRHD-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001394375174 901020433 /nfs/dbraw/zinc/02/04/33/901020433.db2.gz JHVIJYNXSHRSCE-HAQNSBGRSA-N 1 3 298.431 -0.066 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001394517513 901044317 /nfs/dbraw/zinc/04/43/17/901044317.db2.gz IEQYTXGXIRMWHX-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(N)=O ZINC001394533393 901046659 /nfs/dbraw/zinc/04/66/59/901046659.db2.gz HFPGWIWDHTUOMS-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001394622938 901097410 /nfs/dbraw/zinc/09/74/10/901097410.db2.gz YXDPJSMCCSXBFR-RYUDHWBXSA-N 1 3 287.404 -0.692 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001394667384 901116120 /nfs/dbraw/zinc/11/61/20/901116120.db2.gz IWTSBNLKEDZAPF-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001394681967 901120513 /nfs/dbraw/zinc/12/05/13/901120513.db2.gz UYAWHBDJSZNGAG-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001394852336 901165481 /nfs/dbraw/zinc/16/54/81/901165481.db2.gz IXOCASZPCWMWMG-BPCQOVAHSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001394852581 901166239 /nfs/dbraw/zinc/16/62/39/901166239.db2.gz WEVOXPGLHDHXQY-MCIGGMRASA-N 1 3 282.388 -0.594 20 0 CBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CCN1CCO ZINC001397024230 901355332 /nfs/dbraw/zinc/35/53/32/901355332.db2.gz BWGZQGOJQBSCID-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001397024230 901355342 /nfs/dbraw/zinc/35/53/42/901355342.db2.gz BWGZQGOJQBSCID-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001397024230 901355349 /nfs/dbraw/zinc/35/53/49/901355349.db2.gz BWGZQGOJQBSCID-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001397597017 901437748 /nfs/dbraw/zinc/43/77/48/901437748.db2.gz XYBCTLYTAVXSKJ-WISYIIOYSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001397612478 901439204 /nfs/dbraw/zinc/43/92/04/901439204.db2.gz JESSDQRTCMDHMI-BETUJISGSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001398498847 901547876 /nfs/dbraw/zinc/54/78/76/901547876.db2.gz CEERSULUDJUWBI-YNEHKIRRSA-N 1 3 287.404 -0.476 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398605547 901573885 /nfs/dbraw/zinc/57/38/85/901573885.db2.gz PKTBXNICPGEMSM-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398605547 901573893 /nfs/dbraw/zinc/57/38/93/901573893.db2.gz PKTBXNICPGEMSM-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001398754621 901600705 /nfs/dbraw/zinc/60/07/05/901600705.db2.gz ANDCEYRLMUJOKS-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001398947138 901637492 /nfs/dbraw/zinc/63/74/92/901637492.db2.gz OHEZHRAKZXUNKK-PWSUYJOCSA-N 1 3 272.393 -0.587 20 0 CBADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(N)=O ZINC001398961990 901642872 /nfs/dbraw/zinc/64/28/72/901642872.db2.gz BQGOIWYQEGXXDQ-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001399035969 901655363 /nfs/dbraw/zinc/65/53/63/901655363.db2.gz OOQUYBFSSDGLDI-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938503 901839751 /nfs/dbraw/zinc/83/97/51/901839751.db2.gz ZVMFWMGPDCAEID-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN1CC[C@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938506 901839976 /nfs/dbraw/zinc/83/99/76/901839976.db2.gz ZVMFWMGPDCAEID-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001400064420 901869419 /nfs/dbraw/zinc/86/94/19/901869419.db2.gz BXOYWAHXEJGMDE-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001400063059 901870246 /nfs/dbraw/zinc/87/02/46/901870246.db2.gz YEXFPYOLYJOFAM-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401117691 902056807 /nfs/dbraw/zinc/05/68/07/902056807.db2.gz WRLRDSJEIYQKCI-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401245525 902090690 /nfs/dbraw/zinc/09/06/90/902090690.db2.gz PYTGKICRCZVNBT-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001401265027 902094239 /nfs/dbraw/zinc/09/42/39/902094239.db2.gz YDQMNMPQDMEENQ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001401265027 902094254 /nfs/dbraw/zinc/09/42/54/902094254.db2.gz YDQMNMPQDMEENQ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001401262284 902097439 /nfs/dbraw/zinc/09/74/39/902097439.db2.gz PSEDPLLPQIBUQJ-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001401262284 902097460 /nfs/dbraw/zinc/09/74/60/902097460.db2.gz PSEDPLLPQIBUQJ-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401435015 902124081 /nfs/dbraw/zinc/12/40/81/902124081.db2.gz GWVPDMWVOQMRNS-QWHCGFSZSA-N 1 3 287.404 -0.664 20 0 CBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401435015 902124087 /nfs/dbraw/zinc/12/40/87/902124087.db2.gz GWVPDMWVOQMRNS-QWHCGFSZSA-N 1 3 287.404 -0.664 20 0 CBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401435021 902125133 /nfs/dbraw/zinc/12/51/33/902125133.db2.gz GWVPDMWVOQMRNS-STQMWFEESA-N 1 3 287.404 -0.664 20 0 CBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401435021 902125145 /nfs/dbraw/zinc/12/51/45/902125145.db2.gz GWVPDMWVOQMRNS-STQMWFEESA-N 1 3 287.404 -0.664 20 0 CBADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001401548031 902162126 /nfs/dbraw/zinc/16/21/26/902162126.db2.gz CWRGTZRIKRTQCU-CQSZACIVSA-N 1 3 294.399 -0.092 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401601872 902181545 /nfs/dbraw/zinc/18/15/45/902181545.db2.gz FGDMLEFLXRLQBU-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001401632241 902199724 /nfs/dbraw/zinc/19/97/24/902199724.db2.gz DPQKWTTWYDBUSY-GMTAPVOTSA-N 1 3 270.377 -0.691 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401679724 902226723 /nfs/dbraw/zinc/22/67/23/902226723.db2.gz GFAVTOSZJWQNGL-YNEHKIRRSA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401679724 902226737 /nfs/dbraw/zinc/22/67/37/902226737.db2.gz GFAVTOSZJWQNGL-YNEHKIRRSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401698260 902236394 /nfs/dbraw/zinc/23/63/94/902236394.db2.gz BOCLLNRCQALULN-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001401716157 902244912 /nfs/dbraw/zinc/24/49/12/902244912.db2.gz FCBNNAFNFYSYRV-JSGCOSHPSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877501 902296567 /nfs/dbraw/zinc/29/65/67/902296567.db2.gz SFZNQVQHSOFYTH-ZYHUDNBSSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402064421 902345957 /nfs/dbraw/zinc/34/59/57/902345957.db2.gz XUZKBTGXRJDEIA-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402078519 902352811 /nfs/dbraw/zinc/35/28/11/902352811.db2.gz MWWPBRMMQAPNOO-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001402195067 902378825 /nfs/dbraw/zinc/37/88/25/902378825.db2.gz JXDNWARCZOXLMS-UKRRQHHQSA-N 1 3 298.431 -0.114 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402314239 902421841 /nfs/dbraw/zinc/42/18/41/902421841.db2.gz LQWPWMFQUDFWAW-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402314239 902421850 /nfs/dbraw/zinc/42/18/50/902421850.db2.gz LQWPWMFQUDFWAW-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402314226 902422715 /nfs/dbraw/zinc/42/27/15/902422715.db2.gz LQWPWMFQUDFWAW-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402314226 902422721 /nfs/dbraw/zinc/42/27/21/902422721.db2.gz LQWPWMFQUDFWAW-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001402605749 902490990 /nfs/dbraw/zinc/49/09/90/902490990.db2.gz LIFGBAARVDOOHS-UTUOFQBUSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001402775682 902518744 /nfs/dbraw/zinc/51/87/44/902518744.db2.gz AYHUMBZNNKEOTE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001402775682 902518752 /nfs/dbraw/zinc/51/87/52/902518752.db2.gz AYHUMBZNNKEOTE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001402775677 902520011 /nfs/dbraw/zinc/52/00/11/902520011.db2.gz AYHUMBZNNKEOTE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001402775677 902520015 /nfs/dbraw/zinc/52/00/15/902520015.db2.gz AYHUMBZNNKEOTE-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001402801701 902522127 /nfs/dbraw/zinc/52/21/27/902522127.db2.gz ZQDYHZJDESTXCC-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)N(C)C ZINC001402822154 902529614 /nfs/dbraw/zinc/52/96/14/902529614.db2.gz KFYZGHGYCGLDGD-TUAOUCFPSA-N 1 3 286.420 -0.069 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C ZINC001402982373 902583747 /nfs/dbraw/zinc/58/37/47/902583747.db2.gz OQADUJQUXCEMJQ-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403107120 902617437 /nfs/dbraw/zinc/61/74/37/902617437.db2.gz RXUIPCMPECKQNZ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001403223136 902654364 /nfs/dbraw/zinc/65/43/64/902654364.db2.gz AYHFHZUDAMELRU-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001403223142 902654829 /nfs/dbraw/zinc/65/48/29/902654829.db2.gz AYHFHZUDAMELRU-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001403270992 902663210 /nfs/dbraw/zinc/66/32/10/902663210.db2.gz FKIKNZWWYJVFSI-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001403404528 902685191 /nfs/dbraw/zinc/68/51/91/902685191.db2.gz FKOFIUSRGWJTCS-FRRDWIJNSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001403475766 902695620 /nfs/dbraw/zinc/69/56/20/902695620.db2.gz CJQRZLFMSGQUIE-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001403543669 902724599 /nfs/dbraw/zinc/72/45/99/902724599.db2.gz YUFFWPCWEDWEPB-RYUDHWBXSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001403545957 902724770 /nfs/dbraw/zinc/72/47/70/902724770.db2.gz JZRDZSOTGQEUGA-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403740392 902831889 /nfs/dbraw/zinc/83/18/89/902831889.db2.gz WFTUPYFHTNMFKK-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403740392 902831902 /nfs/dbraw/zinc/83/19/02/902831902.db2.gz WFTUPYFHTNMFKK-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750451 902838624 /nfs/dbraw/zinc/83/86/24/902838624.db2.gz RQGSBCZFEFWKTQ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001403764772 902844826 /nfs/dbraw/zinc/84/48/26/902844826.db2.gz YOPNCCOJMUAPIV-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+](C)CC1(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC001403805521 902854662 /nfs/dbraw/zinc/85/46/62/902854662.db2.gz LKGFZNSWLQQHEI-LLVKDONJSA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)CCC1 ZINC001403898508 902896849 /nfs/dbraw/zinc/89/68/49/902896849.db2.gz OUZKNERELGLVHB-LBPRGKRZSA-N 1 3 287.404 -0.786 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CCC1 ZINC001403898508 902896866 /nfs/dbraw/zinc/89/68/66/902896866.db2.gz OUZKNERELGLVHB-LBPRGKRZSA-N 1 3 287.404 -0.786 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001404309888 902970990 /nfs/dbraw/zinc/97/09/90/902970990.db2.gz FETCZTSXOBCZKQ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329534 902973578 /nfs/dbraw/zinc/97/35/78/902973578.db2.gz TXFHHKKLIPJCEZ-TUAOUCFPSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001404329534 902973590 /nfs/dbraw/zinc/97/35/90/902973590.db2.gz TXFHHKKLIPJCEZ-TUAOUCFPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C(C)C)C(N)=O ZINC001404338682 902977664 /nfs/dbraw/zinc/97/76/64/902977664.db2.gz ZVARSZHCITYXKT-NSHDSACASA-N 1 3 272.393 -0.362 20 0 CBADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001404522625 902994732 /nfs/dbraw/zinc/99/47/32/902994732.db2.gz WIAMUSSUWFWJKM-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001404522625 902994741 /nfs/dbraw/zinc/99/47/41/902994741.db2.gz WIAMUSSUWFWJKM-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001405379700 903159675 /nfs/dbraw/zinc/15/96/75/903159675.db2.gz OJHBVIBQSIKEFE-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001405379695 903160840 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CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405928118 903249746 /nfs/dbraw/zinc/24/97/46/903249746.db2.gz MCSBCYVUUSPWOM-JHJVBQTASA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405928118 903249757 /nfs/dbraw/zinc/24/97/57/903249757.db2.gz MCSBCYVUUSPWOM-JHJVBQTASA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001406257938 903331702 /nfs/dbraw/zinc/33/17/02/903331702.db2.gz HELRFKNQBQZIHO-STQMWFEESA-N 1 3 297.403 -0.673 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406321449 903353463 /nfs/dbraw/zinc/35/34/63/903353463.db2.gz DXGYYYPRFBCQLQ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406321449 903353480 /nfs/dbraw/zinc/35/34/80/903353480.db2.gz DXGYYYPRFBCQLQ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001406361706 903373246 /nfs/dbraw/zinc/37/32/46/903373246.db2.gz FCBNNAFNFYSYRV-OCCSQVGLSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001406430534 903399639 /nfs/dbraw/zinc/39/96/39/903399639.db2.gz MMGIYVWRMWTIII-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001406518223 903421621 /nfs/dbraw/zinc/42/16/21/903421621.db2.gz GBTKXUCTUJKFON-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406520614 903422301 /nfs/dbraw/zinc/42/23/01/903422301.db2.gz QZTMASQDSUNPPA-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406520614 903422312 /nfs/dbraw/zinc/42/23/12/903422312.db2.gz QZTMASQDSUNPPA-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001407795405 903659637 /nfs/dbraw/zinc/65/96/37/903659637.db2.gz BMTNEJZSONJQGM-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001408097481 903708707 /nfs/dbraw/zinc/70/87/07/903708707.db2.gz JDOYHPPWKSWNOC-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001408097481 903708716 /nfs/dbraw/zinc/70/87/16/903708716.db2.gz JDOYHPPWKSWNOC-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336231 903752935 /nfs/dbraw/zinc/75/29/35/903752935.db2.gz SCNOSDLXTOZBJT-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408595260 903791491 /nfs/dbraw/zinc/79/14/91/903791491.db2.gz SPTKNHSSLCPHNL-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408595260 903791500 /nfs/dbraw/zinc/79/15/00/903791500.db2.gz SPTKNHSSLCPHNL-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409844601 903973992 /nfs/dbraw/zinc/97/39/92/903973992.db2.gz OWSMBIUTWHLWSA-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409844601 903974005 /nfs/dbraw/zinc/97/40/05/903974005.db2.gz OWSMBIUTWHLWSA-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409844588 903975552 /nfs/dbraw/zinc/97/55/52/903975552.db2.gz OWSMBIUTWHLWSA-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409844588 903975565 /nfs/dbraw/zinc/97/55/65/903975565.db2.gz OWSMBIUTWHLWSA-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001410329248 904067501 /nfs/dbraw/zinc/06/75/01/904067501.db2.gz WKLPWEOWFYSWFR-AAEUAGOBSA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001410329248 904067517 /nfs/dbraw/zinc/06/75/17/904067517.db2.gz WKLPWEOWFYSWFR-AAEUAGOBSA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410336871 904071438 /nfs/dbraw/zinc/07/14/38/904071438.db2.gz WGGGLHCKHOEXRM-STQMWFEESA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410336871 904071443 /nfs/dbraw/zinc/07/14/43/904071443.db2.gz WGGGLHCKHOEXRM-STQMWFEESA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001410368369 904082161 /nfs/dbraw/zinc/08/21/61/904082161.db2.gz BEQLIXFCYROKKO-ZYHUDNBSSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001410477713 904104280 /nfs/dbraw/zinc/10/42/80/904104280.db2.gz BLIUYLUCDCUFHP-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001410477713 904104286 /nfs/dbraw/zinc/10/42/86/904104286.db2.gz BLIUYLUCDCUFHP-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865863 904200269 /nfs/dbraw/zinc/20/02/69/904200269.db2.gz OYTDSUFYBPJTOU-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001411042738 904227337 /nfs/dbraw/zinc/22/73/37/904227337.db2.gz LXWUMPZKAAEDQH-AAEUAGOBSA-N 1 3 287.404 -0.740 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)CCO)CC[N@@H+]1C ZINC001411171587 904253406 /nfs/dbraw/zinc/25/34/06/904253406.db2.gz RFZUTKSALTVDKZ-JHJVBQTASA-N 1 3 287.404 -0.930 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)CCO)CC[N@H+]1C ZINC001411171587 904253426 /nfs/dbraw/zinc/25/34/26/904253426.db2.gz RFZUTKSALTVDKZ-JHJVBQTASA-N 1 3 287.404 -0.930 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001411277364 904276442 /nfs/dbraw/zinc/27/64/42/904276442.db2.gz KLESIKHENAAXKX-UHFFFAOYSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001412835566 904747845 /nfs/dbraw/zinc/74/78/45/904747845.db2.gz FLVABWHUHQMBTM-DZGCQCFKSA-N 1 3 298.431 -0.805 20 0 CBADHO COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001413004281 904861247 /nfs/dbraw/zinc/86/12/47/904861247.db2.gz APQFDUJFLMMJTC-OCCSQVGLSA-N 1 3 299.415 -0.522 20 0 CBADHO COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001413004281 904861263 /nfs/dbraw/zinc/86/12/63/904861263.db2.gz APQFDUJFLMMJTC-OCCSQVGLSA-N 1 3 299.415 -0.522 20 0 CBADHO COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001413004311 904863581 /nfs/dbraw/zinc/86/35/81/904863581.db2.gz APQFDUJFLMMJTC-TZMCWYRMSA-N 1 3 299.415 -0.522 20 0 CBADHO COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001413004311 904863594 /nfs/dbraw/zinc/86/35/94/904863594.db2.gz APQFDUJFLMMJTC-TZMCWYRMSA-N 1 3 299.415 -0.522 20 0 CBADHO CC[N@@H+]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC001414557353 905449701 /nfs/dbraw/zinc/44/97/01/905449701.db2.gz NXGJJLJMYLAQMQ-KBPBESRZSA-N 1 3 297.447 -0.032 20 0 CBADHO CC[N@H+]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC001414557353 905449704 /nfs/dbraw/zinc/44/97/04/905449704.db2.gz NXGJJLJMYLAQMQ-KBPBESRZSA-N 1 3 297.447 -0.032 20 0 CBADHO CC[C@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001415606131 905650054 /nfs/dbraw/zinc/65/00/54/905650054.db2.gz KUPNAJIVWIRZRP-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001416014315 905691824 /nfs/dbraw/zinc/69/18/24/905691824.db2.gz KXBKABBLNSTURW-GFCCVEGCSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417245711 905881626 /nfs/dbraw/zinc/88/16/26/905881626.db2.gz PNJQOGFTVYHDBI-CYBMUJFWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417811804 906056892 /nfs/dbraw/zinc/05/68/92/906056892.db2.gz DRSZAIOEMBOHQQ-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418044160 906145830 /nfs/dbraw/zinc/14/58/30/906145830.db2.gz MTXZKPHIIKCILR-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418052553 906147870 /nfs/dbraw/zinc/14/78/70/906147870.db2.gz XJXYHJXABQGYRL-LBPRGKRZSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001418135982 906178989 /nfs/dbraw/zinc/17/89/89/906178989.db2.gz XTBJBHNMAFDZLE-TXEJJXNPSA-N 1 3 296.415 -0.204 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001418165635 906185511 /nfs/dbraw/zinc/18/55/11/906185511.db2.gz QZXXWGSQVCJJIQ-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001418179762 906190183 /nfs/dbraw/zinc/19/01/83/906190183.db2.gz BFSQAHIBLCGEFG-DGTMBMJNSA-N 1 3 283.416 0.000 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001418179762 906190187 /nfs/dbraw/zinc/19/01/87/906190187.db2.gz BFSQAHIBLCGEFG-DGTMBMJNSA-N 1 3 283.416 0.000 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001418226558 906223562 /nfs/dbraw/zinc/22/35/62/906223562.db2.gz LLTSGXACXNSSHN-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC)CC[N@@H+]1C ZINC001418233292 906228869 /nfs/dbraw/zinc/22/88/69/906228869.db2.gz XJMFFIYJIDUMDV-SDDRHHMPSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC)CC[N@H+]1C ZINC001418233292 906228881 /nfs/dbraw/zinc/22/88/81/906228881.db2.gz XJMFFIYJIDUMDV-SDDRHHMPSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001418235762 906232525 /nfs/dbraw/zinc/23/25/25/906232525.db2.gz OGIUGPKDWXTRHN-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001418244502 906238618 /nfs/dbraw/zinc/23/86/18/906238618.db2.gz YQAMERCNXZWLNO-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(N)=O ZINC001418244502 906238630 /nfs/dbraw/zinc/23/86/30/906238630.db2.gz YQAMERCNXZWLNO-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCC1 ZINC001418274740 906251559 /nfs/dbraw/zinc/25/15/59/906251559.db2.gz YFNUECZFSBMXIS-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001418296906 906268033 /nfs/dbraw/zinc/26/80/33/906268033.db2.gz CHTPHZGXSNRAGC-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001418296906 906268053 /nfs/dbraw/zinc/26/80/53/906268053.db2.gz CHTPHZGXSNRAGC-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418303223 906271001 /nfs/dbraw/zinc/27/10/01/906271001.db2.gz RUWGUSLDGYVDAR-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001418328445 906283019 /nfs/dbraw/zinc/28/30/19/906283019.db2.gz NSCWIUTVMVCQRF-STQMWFEESA-N 1 3 294.399 -0.735 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001418345804 906292152 /nfs/dbraw/zinc/29/21/52/906292152.db2.gz CWZWEANHMVAXRT-YPMHNXCESA-N 1 3 284.404 -0.504 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418665013 906442588 /nfs/dbraw/zinc/44/25/88/906442588.db2.gz HIKJPDPIMKQVKL-PHIMTYICSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001418825602 906489145 /nfs/dbraw/zinc/48/91/45/906489145.db2.gz IRPLAAUYSFAYMY-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001418836244 906492706 /nfs/dbraw/zinc/49/27/06/906492706.db2.gz YHLTXGKCENAMAZ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001418836244 906492719 /nfs/dbraw/zinc/49/27/19/906492719.db2.gz YHLTXGKCENAMAZ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001418836264 906495669 /nfs/dbraw/zinc/49/56/69/906495669.db2.gz YHLTXGKCENAMAZ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001418836264 906495674 /nfs/dbraw/zinc/49/56/74/906495674.db2.gz YHLTXGKCENAMAZ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC ZINC001419190784 906632261 /nfs/dbraw/zinc/63/22/61/906632261.db2.gz FNASHDWYZFPZPY-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001419315269 906661271 /nfs/dbraw/zinc/66/12/71/906661271.db2.gz AKQKONQKDQFKOU-DGCLKSJQSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419382545 906672750 /nfs/dbraw/zinc/67/27/50/906672750.db2.gz DPSGOEODQXKYPM-NSHDSACASA-N 1 3 280.372 -0.981 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001419413437 906683485 /nfs/dbraw/zinc/68/34/85/906683485.db2.gz NQJURVKHCZESIU-CYDGBPFRSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(N)=O ZINC001419472743 906697787 /nfs/dbraw/zinc/69/77/87/906697787.db2.gz VGXPCZACULASFU-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001419471460 906698945 /nfs/dbraw/zinc/69/89/45/906698945.db2.gz QYRVYHLEDXUAEF-PHIMTYICSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001419490225 906703582 /nfs/dbraw/zinc/70/35/82/906703582.db2.gz YIZFTAPFTUPAPU-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001419519676 906713374 /nfs/dbraw/zinc/71/33/74/906713374.db2.gz NQJURVKHCZESIU-QNWHQSFQSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572565 906731535 /nfs/dbraw/zinc/73/15/35/906731535.db2.gz SNWMYWNAQMHBLE-QWHCGFSZSA-N 1 3 296.415 -0.358 20 0 CBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCCC1)N(C)C ZINC001419616515 906743148 /nfs/dbraw/zinc/74/31/48/906743148.db2.gz PPMGXBZFSQJVSE-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC)CC[N@@H+]1C ZINC001419676074 906764649 /nfs/dbraw/zinc/76/46/49/906764649.db2.gz PRZLQUOGJYSZSW-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC)CC[N@H+]1C ZINC001419676074 906764661 /nfs/dbraw/zinc/76/46/61/906764661.db2.gz PRZLQUOGJYSZSW-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705710 906773565 /nfs/dbraw/zinc/77/35/65/906773565.db2.gz RPVKPVWXIJTCHW-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001419748612 906800220 /nfs/dbraw/zinc/80/02/20/906800220.db2.gz QSLRMBNMAXBVBG-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001419748617 906801616 /nfs/dbraw/zinc/80/16/16/906801616.db2.gz QSLRMBNMAXBVBG-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001419755507 906806192 /nfs/dbraw/zinc/80/61/92/906806192.db2.gz QYHLYXHDXPGSHM-DGCLKSJQSA-N 1 3 286.420 -0.245 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419766023 906808488 /nfs/dbraw/zinc/80/84/88/906808488.db2.gz MQWDPUZCDUKARN-WDEREUQCSA-N 1 3 272.393 -0.363 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419780600 906810942 /nfs/dbraw/zinc/81/09/42/906810942.db2.gz VJEHFFKCFBFZJY-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419799667 906814807 /nfs/dbraw/zinc/81/48/07/906814807.db2.gz RZRGOFZQHNVHCA-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419799667 906814812 /nfs/dbraw/zinc/81/48/12/906814812.db2.gz RZRGOFZQHNVHCA-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419831275 906828672 /nfs/dbraw/zinc/82/86/72/906828672.db2.gz NWVWNHKVAXZYGV-GHMZBOCLSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001419857476 906837039 /nfs/dbraw/zinc/83/70/39/906837039.db2.gz YFQGBSAVIMMOSC-GHMZBOCLSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001419857485 906837402 /nfs/dbraw/zinc/83/74/02/906837402.db2.gz YFQGBSAVIMMOSC-WDEREUQCSA-N 1 3 286.420 -0.068 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419891701 906849163 /nfs/dbraw/zinc/84/91/63/906849163.db2.gz CNCWJDXDLWVVHP-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419891701 906849171 /nfs/dbraw/zinc/84/91/71/906849171.db2.gz CNCWJDXDLWVVHP-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904805 906855833 /nfs/dbraw/zinc/85/58/33/906855833.db2.gz QIXKUZLEPKARTD-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904805 906855845 /nfs/dbraw/zinc/85/58/45/906855845.db2.gz QIXKUZLEPKARTD-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001420142387 906965518 /nfs/dbraw/zinc/96/55/18/906965518.db2.gz QFXGDZPZXOZAJU-NWDGAFQWSA-N 1 3 287.404 -0.428 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CN1CCCC1 ZINC001420251302 907051118 /nfs/dbraw/zinc/05/11/18/907051118.db2.gz LQBOTKSFLLWJPW-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001420304785 907087501 /nfs/dbraw/zinc/08/75/01/907087501.db2.gz CIQBLDZJQOSRDR-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC[NH+](C)C ZINC001420341712 907106882 /nfs/dbraw/zinc/10/68/82/907106882.db2.gz USXHPMVVGNVXKD-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420364622 907122412 /nfs/dbraw/zinc/12/24/12/907122412.db2.gz FQQHMIYNEAYYII-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420364622 907122418 /nfs/dbraw/zinc/12/24/18/907122418.db2.gz FQQHMIYNEAYYII-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420374204 907126918 /nfs/dbraw/zinc/12/69/18/907126918.db2.gz SLFVDXLRFBLTEO-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001420520887 907194673 /nfs/dbraw/zinc/19/46/73/907194673.db2.gz XCQXLYHNLBOLAA-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO NC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001502017457 921320506 /nfs/dbraw/zinc/32/05/06/921320506.db2.gz KPHDBTMAZQFTRX-UHFFFAOYSA-N 1 3 280.372 -0.804 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCC(N)=O ZINC001421421367 907539497 /nfs/dbraw/zinc/53/94/97/907539497.db2.gz NQGJKXUUHPHUJA-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCC(N)=O ZINC001421421367 907539510 /nfs/dbraw/zinc/53/95/10/907539510.db2.gz NQGJKXUUHPHUJA-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCC(N)=O ZINC001421421380 907540398 /nfs/dbraw/zinc/54/03/98/907540398.db2.gz NQGJKXUUHPHUJA-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCC(N)=O ZINC001421421380 907540411 /nfs/dbraw/zinc/54/04/11/907540411.db2.gz NQGJKXUUHPHUJA-VXGBXAGGSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001421493065 907569342 /nfs/dbraw/zinc/56/93/42/907569342.db2.gz DEHHAONJJDHMEH-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](O)CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626442 907594956 /nfs/dbraw/zinc/59/49/56/907594956.db2.gz QVOPIWCADPCGJX-GXTWGEPZSA-N 1 3 287.404 -0.738 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001421707900 907623052 /nfs/dbraw/zinc/62/30/52/907623052.db2.gz LLGXKWVYXNEWPT-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@H](NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001421748719 907631965 /nfs/dbraw/zinc/63/19/65/907631965.db2.gz JECYYBSZXXZROX-WCQYABFASA-N 1 3 296.415 -0.217 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001421915166 907677602 /nfs/dbraw/zinc/67/76/02/907677602.db2.gz VWICLBLZWACQQH-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001421915171 907677814 /nfs/dbraw/zinc/67/78/14/907677814.db2.gz VWICLBLZWACQQH-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421992746 907697875 /nfs/dbraw/zinc/69/78/75/907697875.db2.gz PRUFCXUCQJOOBD-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421992746 907697884 /nfs/dbraw/zinc/69/78/84/907697884.db2.gz PRUFCXUCQJOOBD-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421996807 907699247 /nfs/dbraw/zinc/69/92/47/907699247.db2.gz XESDDAMMNAXMIG-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421996807 907699262 /nfs/dbraw/zinc/69/92/62/907699262.db2.gz XESDDAMMNAXMIG-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001422128105 907721866 /nfs/dbraw/zinc/72/18/66/907721866.db2.gz BQPLCDQUPFHNJK-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001422135762 907724759 /nfs/dbraw/zinc/72/47/59/907724759.db2.gz NLVPYXFXVFFPFJ-NWDGAFQWSA-N 1 3 286.420 -0.069 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001422449172 907864860 /nfs/dbraw/zinc/86/48/60/907864860.db2.gz JQLCFNCCTGVAJN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001422617394 907944575 /nfs/dbraw/zinc/94/45/75/907944575.db2.gz KABDDUUQZLDKBH-GHMZBOCLSA-N 1 3 272.393 -0.315 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001422703097 907979615 /nfs/dbraw/zinc/97/96/15/907979615.db2.gz HSVAUMKSURCIRX-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001423037210 908086703 /nfs/dbraw/zinc/08/67/03/908086703.db2.gz FHTGVEQDDZZCPM-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001423044660 908089284 /nfs/dbraw/zinc/08/92/84/908089284.db2.gz XJBBHYQQRYBGSF-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001423080318 908103925 /nfs/dbraw/zinc/10/39/25/908103925.db2.gz SMXFNMXITQRIGT-NWDGAFQWSA-N 1 3 286.420 -0.149 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001423138660 908117009 /nfs/dbraw/zinc/11/70/09/908117009.db2.gz OKYSUWSVSNBSOZ-JQWIXIFHSA-N 1 3 284.360 -0.604 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1)C(N)=O ZINC001423171945 908124147 /nfs/dbraw/zinc/12/41/47/908124147.db2.gz VUXNLWCPBWNVQZ-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001423169033 908125832 /nfs/dbraw/zinc/12/58/32/908125832.db2.gz HBSOAZYSPSPOTF-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001423332105 908206032 /nfs/dbraw/zinc/20/60/32/908206032.db2.gz VLCYVGCAJFYOQD-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001423472608 908247226 /nfs/dbraw/zinc/24/72/26/908247226.db2.gz CVRSSWJVLTVLAC-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423532216 908275223 /nfs/dbraw/zinc/27/52/23/908275223.db2.gz JHZLMQNWAVFXMM-ZDUSSCGKSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001424213552 908424060 /nfs/dbraw/zinc/42/40/60/908424060.db2.gz MUODSQFWJGRAQZ-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC001424758264 908501950 /nfs/dbraw/zinc/50/19/50/908501950.db2.gz ZLNQVVHXYLPRFJ-BPCQOVAHSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424796100 908509784 /nfs/dbraw/zinc/50/97/84/908509784.db2.gz XDQIMSKHHAITJW-GHMZBOCLSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CC(N)=O ZINC001424802386 908509888 /nfs/dbraw/zinc/50/98/88/908509888.db2.gz GYMBSDFVTRWXED-GHMZBOCLSA-N 1 3 286.420 -0.068 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001425414698 908644131 /nfs/dbraw/zinc/64/41/31/908644131.db2.gz FHDWAVDDGNJTNH-YRGRVCCFSA-N 1 3 298.431 -0.197 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001425580603 908676856 /nfs/dbraw/zinc/67/68/56/908676856.db2.gz PUZUMIOVJKUSLV-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001425593994 908681759 /nfs/dbraw/zinc/68/17/59/908681759.db2.gz KIPCVMLJYOAXOA-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001425663039 908687113 /nfs/dbraw/zinc/68/71/13/908687113.db2.gz PQONOSBZOGEFIP-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001425663039 908687125 /nfs/dbraw/zinc/68/71/25/908687125.db2.gz PQONOSBZOGEFIP-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C ZINC001425656560 908687504 /nfs/dbraw/zinc/68/75/04/908687504.db2.gz OJXZYBLKTANZQO-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C ZINC001425656560 908687506 /nfs/dbraw/zinc/68/75/06/908687506.db2.gz OJXZYBLKTANZQO-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656560 908687512 /nfs/dbraw/zinc/68/75/12/908687512.db2.gz OJXZYBLKTANZQO-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001425663031 908687620 /nfs/dbraw/zinc/68/76/20/908687620.db2.gz PQONOSBZOGEFIP-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001425663031 908687624 /nfs/dbraw/zinc/68/76/24/908687624.db2.gz PQONOSBZOGEFIP-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686132 908688788 /nfs/dbraw/zinc/68/87/88/908688788.db2.gz UZITZNKNLJVUOI-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001425681607 908690578 /nfs/dbraw/zinc/69/05/78/908690578.db2.gz NEPSVPJIPCKYAQ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001425666298 908691058 /nfs/dbraw/zinc/69/10/58/908691058.db2.gz UVFUGVIPJCGSAM-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001425666298 908691066 /nfs/dbraw/zinc/69/10/66/908691066.db2.gz UVFUGVIPJCGSAM-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)N(C)C ZINC001505516661 921433175 /nfs/dbraw/zinc/43/31/75/921433175.db2.gz GAAJLCACZNGDIY-GCZXYKMCSA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425953463 908785684 /nfs/dbraw/zinc/78/56/84/908785684.db2.gz CFWDKOASCBNHOB-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001426076894 908825669 /nfs/dbraw/zinc/82/56/69/908825669.db2.gz KLUGHLXWQYPZTQ-UONOGXRCSA-N 1 3 299.415 -0.928 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505682578 921468048 /nfs/dbraw/zinc/46/80/48/921468048.db2.gz UIIPPLQSTUWXLE-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505760784 921478531 /nfs/dbraw/zinc/47/85/31/921478531.db2.gz OYYXZGQIYKXXAR-RYUDHWBXSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001429472467 909246871 /nfs/dbraw/zinc/24/68/71/909246871.db2.gz USWMPXATWWTJGG-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001429483945 909249096 /nfs/dbraw/zinc/24/90/96/909249096.db2.gz XYOAVNYSCQRCHQ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001429483945 909249109 /nfs/dbraw/zinc/24/91/09/909249109.db2.gz XYOAVNYSCQRCHQ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001505868473 921488590 /nfs/dbraw/zinc/48/85/90/921488590.db2.gz ZEXYOPVYHNBGKP-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001431265888 909441886 /nfs/dbraw/zinc/44/18/86/909441886.db2.gz VVUFFXUMDRISST-LLVKDONJSA-N 1 3 293.371 -0.522 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001431265888 909441903 /nfs/dbraw/zinc/44/19/03/909441903.db2.gz VVUFFXUMDRISST-LLVKDONJSA-N 1 3 293.371 -0.522 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825278 910493187 /nfs/dbraw/zinc/49/31/87/910493187.db2.gz HHANCZUJKPUTQZ-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825278 910493194 /nfs/dbraw/zinc/49/31/94/910493194.db2.gz HHANCZUJKPUTQZ-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437199540 910581911 /nfs/dbraw/zinc/58/19/11/910581911.db2.gz CSBADRDNAXBOPL-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437199545 910582805 /nfs/dbraw/zinc/58/28/05/910582805.db2.gz CSBADRDNAXBOPL-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001437244525 910598335 /nfs/dbraw/zinc/59/83/35/910598335.db2.gz YFCGFBVMKFCJHI-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001437258410 910600520 /nfs/dbraw/zinc/60/05/20/910600520.db2.gz HHGCCHIVJQWGHF-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001437258410 910600534 /nfs/dbraw/zinc/60/05/34/910600534.db2.gz HHGCCHIVJQWGHF-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437309758 910609106 /nfs/dbraw/zinc/60/91/06/910609106.db2.gz JBMQBVNKMDGZQI-JTQLQIEISA-N 1 3 279.344 -0.864 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437312479 910615616 /nfs/dbraw/zinc/61/56/16/910615616.db2.gz OXKZXKRZSZYTOU-QWRGUYRKSA-N 1 3 293.371 -0.475 20 0 CBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001437833629 910762231 /nfs/dbraw/zinc/76/22/31/910762231.db2.gz ZCLUHYKOALIXRX-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001437842976 910764947 /nfs/dbraw/zinc/76/49/47/910764947.db2.gz QHFCXMMIUUCJEB-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001437845562 910765724 /nfs/dbraw/zinc/76/57/24/910765724.db2.gz LVYNTTVNEHGVTF-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001437858283 910771143 /nfs/dbraw/zinc/77/11/43/910771143.db2.gz OBHZLWUQKXSLCL-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001437858412 910774412 /nfs/dbraw/zinc/77/44/12/910774412.db2.gz PAWWCGUNFAPTDZ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686360 910953879 /nfs/dbraw/zinc/95/38/79/910953879.db2.gz UGTUDTPIJIGKJI-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001438718519 910963560 /nfs/dbraw/zinc/96/35/60/910963560.db2.gz YHVVGDIHMOHSHC-VXGBXAGGSA-N 1 3 286.420 -0.102 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001438964549 911019857 /nfs/dbraw/zinc/01/98/57/911019857.db2.gz PDBWCNOVFCDGEL-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001438964553 911022177 /nfs/dbraw/zinc/02/21/77/911022177.db2.gz PDBWCNOVFCDGEL-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001439081090 911086702 /nfs/dbraw/zinc/08/67/02/911086702.db2.gz FMIWFTZOGSYXES-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](NCCN(CC)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001439086865 911096013 /nfs/dbraw/zinc/09/60/13/911096013.db2.gz ZSXHWMKMXAFSCW-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141630 911116400 /nfs/dbraw/zinc/11/64/00/911116400.db2.gz BOCLLNRCQALULN-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001506907311 921638685 /nfs/dbraw/zinc/63/86/85/921638685.db2.gz QSTUUSGOAZCMEQ-HAQNSBGRSA-N 1 3 284.404 -0.443 20 0 CBADHO NC(=O)CNC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455357 911210482 /nfs/dbraw/zinc/21/04/82/911210482.db2.gz BLKDHJIFGUXATG-STQMWFEESA-N 1 3 294.399 -0.702 20 0 CBADHO C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001440300587 911424461 /nfs/dbraw/zinc/42/44/61/911424461.db2.gz GKVNFDSWIVJUQP-ZDEQEGDKSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001440374925 911441779 /nfs/dbraw/zinc/44/17/79/911441779.db2.gz LBGIJHHLJQGUML-OCCSQVGLSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001440816661 911519639 /nfs/dbraw/zinc/51/96/39/911519639.db2.gz IGLMJOZLTCHDMA-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001441382783 911657276 /nfs/dbraw/zinc/65/72/76/911657276.db2.gz FVCSVXDUMREBCA-IJLUTSLNSA-N 1 3 296.415 -0.029 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCNC1=O ZINC001507116422 921682285 /nfs/dbraw/zinc/68/22/85/921682285.db2.gz FULVCIIFIOMGAW-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001441593272 911710474 /nfs/dbraw/zinc/71/04/74/911710474.db2.gz NFPNVBFFERSFLN-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001441654858 911726183 /nfs/dbraw/zinc/72/61/83/911726183.db2.gz HZSQQSCZHGAWOA-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001441654858 911726199 /nfs/dbraw/zinc/72/61/99/911726199.db2.gz HZSQQSCZHGAWOA-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001441654858 911726215 /nfs/dbraw/zinc/72/62/15/911726215.db2.gz HZSQQSCZHGAWOA-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1)C1CCC1 ZINC001441716797 911764068 /nfs/dbraw/zinc/76/40/68/911764068.db2.gz SYBFUPHDFNLJMC-CHWSQXEVSA-N 1 3 299.415 -0.426 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001507161136 921691156 /nfs/dbraw/zinc/69/11/56/921691156.db2.gz ISOGKYNAEJVNKS-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C[C@H]1C ZINC001441857754 911834886 /nfs/dbraw/zinc/83/48/86/911834886.db2.gz GNJLPVYEQMBXSV-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C[C@H]1C ZINC001441857754 911834892 /nfs/dbraw/zinc/83/48/92/911834892.db2.gz GNJLPVYEQMBXSV-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC)C[C@H]1C ZINC001441857741 911835247 /nfs/dbraw/zinc/83/52/47/911835247.db2.gz GNJLPVYEQMBXSV-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC)C[C@H]1C ZINC001441857741 911835264 /nfs/dbraw/zinc/83/52/64/911835264.db2.gz GNJLPVYEQMBXSV-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(C)C1=O ZINC001442005617 911889906 /nfs/dbraw/zinc/88/99/06/911889906.db2.gz GCPTZHXFWLGBRO-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCNC1=O ZINC001442010969 911894486 /nfs/dbraw/zinc/89/44/86/911894486.db2.gz OXBLQOCMIYGRLC-NEPJUHHUSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442051463 911909895 /nfs/dbraw/zinc/90/98/95/911909895.db2.gz NQGCHDYTTWCPAU-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442051463 911909909 /nfs/dbraw/zinc/90/99/09/911909909.db2.gz NQGCHDYTTWCPAU-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)N(C)C ZINC001442089837 911927323 /nfs/dbraw/zinc/92/73/23/911927323.db2.gz GQBVSDABCXBHKC-STQMWFEESA-N 1 3 289.420 -0.684 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)N(C)C ZINC001442089837 911927335 /nfs/dbraw/zinc/92/73/35/911927335.db2.gz GQBVSDABCXBHKC-STQMWFEESA-N 1 3 289.420 -0.684 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001442088207 911928503 /nfs/dbraw/zinc/92/85/03/911928503.db2.gz YLGSPMZEYRGSCE-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442139442 911938993 /nfs/dbraw/zinc/93/89/93/911938993.db2.gz OZTMCROGYDJKBH-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174294 911940887 /nfs/dbraw/zinc/94/08/87/911940887.db2.gz KSGRFTYIPJNBDU-MNOVXSKESA-N 1 3 284.404 -0.456 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174294 911940900 /nfs/dbraw/zinc/94/09/00/911940900.db2.gz KSGRFTYIPJNBDU-MNOVXSKESA-N 1 3 284.404 -0.456 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)N(C)C ZINC001442158952 911943648 /nfs/dbraw/zinc/94/36/48/911943648.db2.gz YGHZBYRLJCMNQQ-MNOVXSKESA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001443116943 912163196 /nfs/dbraw/zinc/16/31/96/912163196.db2.gz KMPIGCXAPGDOOI-WCQYABFASA-N 1 3 296.415 -0.217 20 0 CBADHO CNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443331482 912181611 /nfs/dbraw/zinc/18/16/11/912181611.db2.gz MGEARGZUXANOLX-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443329645 912184273 /nfs/dbraw/zinc/18/42/73/912184273.db2.gz MGEARGZUXANOLX-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)N(C)C ZINC001472079933 915685067 /nfs/dbraw/zinc/68/50/67/915685067.db2.gz FLZRWXJIRLGINW-PWSUYJOCSA-N 1 3 255.362 -0.084 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001507298099 921805791 /nfs/dbraw/zinc/80/57/91/921805791.db2.gz PIDPGKPXOXRUIG-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317452 921808463 /nfs/dbraw/zinc/80/84/63/921808463.db2.gz GXAAKFKMSRJAMR-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001479322595 916118765 /nfs/dbraw/zinc/11/87/65/916118765.db2.gz WBIZXHLRGAQSLO-SDDRHHMPSA-N 1 3 282.388 -0.702 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001479750320 916157865 /nfs/dbraw/zinc/15/78/65/916157865.db2.gz CCWYBIBJSXUYCA-AWEZNQCLSA-N 1 3 299.415 -0.642 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480173336 916317373 /nfs/dbraw/zinc/31/73/73/916317373.db2.gz GANUUIKJTSZJKQ-SRVKXCTJSA-N 1 3 284.404 -0.302 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001480207809 916330856 /nfs/dbraw/zinc/33/08/56/916330856.db2.gz HCZDELSEPAGUTO-GARJFASQSA-N 1 3 282.388 -0.419 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001480233953 916336024 /nfs/dbraw/zinc/33/60/24/916336024.db2.gz UDJQXGNULGEGRU-TXEJJXNPSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480475816 916433161 /nfs/dbraw/zinc/43/31/61/916433161.db2.gz UNNNMIFFZRWIGB-WDEREUQCSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N(C)C ZINC001480528688 916458237 /nfs/dbraw/zinc/45/82/37/916458237.db2.gz XXZUWYZNWQOAQS-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001480566094 916479885 /nfs/dbraw/zinc/47/98/85/916479885.db2.gz QZCHGIZMSXPLHI-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001480566094 916479899 /nfs/dbraw/zinc/47/98/99/916479899.db2.gz QZCHGIZMSXPLHI-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001480647243 916510756 /nfs/dbraw/zinc/51/07/56/916510756.db2.gz BOCRLPPINWCWEW-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)N(C)C ZINC001480793028 916540011 /nfs/dbraw/zinc/54/00/11/916540011.db2.gz WKOSHEYFKNQZBG-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314242 916813400 /nfs/dbraw/zinc/81/34/00/916813400.db2.gz BWSSQLSJABGERV-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314242 916813420 /nfs/dbraw/zinc/81/34/20/916813420.db2.gz BWSSQLSJABGERV-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC ZINC001481820308 916993577 /nfs/dbraw/zinc/99/35/77/916993577.db2.gz MDDZTSSSHFYIJT-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001481849792 917002340 /nfs/dbraw/zinc/00/23/40/917002340.db2.gz FYSQFBKLDGORBQ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001481849793 917002457 /nfs/dbraw/zinc/00/24/57/917002457.db2.gz FYSQFBKLDGORBQ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC ZINC001481848753 917004316 /nfs/dbraw/zinc/00/43/16/917004316.db2.gz FBNQLMVYFPCBSM-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001481874168 917013742 /nfs/dbraw/zinc/01/37/42/917013742.db2.gz FFLBWMOIZVXXJY-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001481874168 917013751 /nfs/dbraw/zinc/01/37/51/917013751.db2.gz FFLBWMOIZVXXJY-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CCC1 ZINC001482016972 917031993 /nfs/dbraw/zinc/03/19/93/917031993.db2.gz QOBSZDAWMWJYNW-HAQNSBGRSA-N 1 3 296.415 -0.027 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482063212 917036761 /nfs/dbraw/zinc/03/67/61/917036761.db2.gz ZCOMOKKIYVUKHC-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482063212 917036770 /nfs/dbraw/zinc/03/67/70/917036770.db2.gz ZCOMOKKIYVUKHC-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325831 917127966 /nfs/dbraw/zinc/12/79/66/917127966.db2.gz MSFMMJMECCRULY-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329334 917129236 /nfs/dbraw/zinc/12/92/36/917129236.db2.gz AKHAJUKBKRHXDJ-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482329334 917129242 /nfs/dbraw/zinc/12/92/42/917129242.db2.gz AKHAJUKBKRHXDJ-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329335 917130590 /nfs/dbraw/zinc/13/05/90/917130590.db2.gz AKHAJUKBKRHXDJ-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482329335 917130600 /nfs/dbraw/zinc/13/06/00/917130600.db2.gz AKHAJUKBKRHXDJ-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CC(=O)NC[C@H](O)C[NH2+]CCF)C1CCC1 ZINC001482737300 917243994 /nfs/dbraw/zinc/24/39/94/917243994.db2.gz JQHMIWPGRQMYTA-LLVKDONJSA-N 1 3 261.341 -0.493 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001482799607 917292967 /nfs/dbraw/zinc/29/29/67/917292967.db2.gz QXHLYPFMFMANRT-ZDUSSCGKSA-N 1 3 297.403 -0.673 20 0 CBADHO C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482840655 917308367 /nfs/dbraw/zinc/30/83/67/917308367.db2.gz YFXWPOQAJOTZKW-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925578 917338342 /nfs/dbraw/zinc/33/83/42/917338342.db2.gz SCMVNULVASVLQW-GFCCVEGCSA-N 1 3 282.388 -0.748 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001482946047 917347681 /nfs/dbraw/zinc/34/76/81/917347681.db2.gz DDONYZJGMFKUFZ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH+]1CCC(C(=O)NC/C=C/CN[C@H]2CCNC2=O)CC1 ZINC001483053817 917390405 /nfs/dbraw/zinc/39/04/05/917390405.db2.gz HSBACCQSSBLBKW-IBUXWKBASA-N 1 3 294.399 -0.521 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083622 917404437 /nfs/dbraw/zinc/40/44/37/917404437.db2.gz NBGLSTFKTVMHCI-VSQXVHSFSA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483175538 917448736 /nfs/dbraw/zinc/44/87/36/917448736.db2.gz AVGCNYGRHIGHKX-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001483182311 917453327 /nfs/dbraw/zinc/45/33/27/917453327.db2.gz TUDYRLOTCQQDSW-GHMZBOCLSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001483182311 917453343 /nfs/dbraw/zinc/45/33/43/917453343.db2.gz TUDYRLOTCQQDSW-GHMZBOCLSA-N 1 3 298.387 -0.772 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483185002 917455724 /nfs/dbraw/zinc/45/57/24/917455724.db2.gz ZZYBDNNGFBNFHK-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483185002 917455734 /nfs/dbraw/zinc/45/57/34/917455734.db2.gz ZZYBDNNGFBNFHK-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483184583 917457846 /nfs/dbraw/zinc/45/78/46/917457846.db2.gz RDOZKUVWJKGJKG-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483184583 917457857 /nfs/dbraw/zinc/45/78/57/917457857.db2.gz RDOZKUVWJKGJKG-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483234745 917486409 /nfs/dbraw/zinc/48/64/09/917486409.db2.gz XPXGLNOFUWKHIK-RYUDHWBXSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001483240448 917486846 /nfs/dbraw/zinc/48/68/46/917486846.db2.gz OXRLRQNHLVTZSA-VHSXEESVSA-N 1 3 258.366 -0.833 20 0 CBADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001483263805 917501356 /nfs/dbraw/zinc/50/13/56/917501356.db2.gz LAHLMNKXICCVCS-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001483261838 917501705 /nfs/dbraw/zinc/50/17/05/917501705.db2.gz OZAXZXJESSFCBW-NSHDSACASA-N 1 3 286.420 -0.053 20 0 CBADHO CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCCN1C ZINC001483455798 917567986 /nfs/dbraw/zinc/56/79/86/917567986.db2.gz DLDIBQNWNSSBBQ-CYBMUJFWSA-N 1 3 294.403 -0.153 20 0 CBADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001483471346 917573129 /nfs/dbraw/zinc/57/31/29/917573129.db2.gz YOAUAGSXGDFPCM-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001483940909 917708197 /nfs/dbraw/zinc/70/81/97/917708197.db2.gz ILLBWCCFDGXLLG-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001484700810 917925808 /nfs/dbraw/zinc/92/58/08/917925808.db2.gz SZAYOZSBIPFRFC-CYBMUJFWSA-N 1 3 287.404 -0.210 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001484693531 917926608 /nfs/dbraw/zinc/92/66/08/917926608.db2.gz VKKIGGRLAMGWHU-CHWSQXEVSA-N 1 3 285.388 -0.863 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001484693533 917926690 /nfs/dbraw/zinc/92/66/90/917926690.db2.gz VKKIGGRLAMGWHU-OLZOCXBDSA-N 1 3 285.388 -0.863 20 0 CBADHO COCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001484700811 917927832 /nfs/dbraw/zinc/92/78/32/917927832.db2.gz SZAYOZSBIPFRFC-ZDUSSCGKSA-N 1 3 287.404 -0.210 20 0 CBADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188780 918022156 /nfs/dbraw/zinc/02/21/56/918022156.db2.gz JHTSGNHVVKMGSU-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)N(C)C ZINC001485215233 918029835 /nfs/dbraw/zinc/02/98/35/918029835.db2.gz LUTNTDHJXRZACF-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485229849 918033431 /nfs/dbraw/zinc/03/34/31/918033431.db2.gz MWKGJBRIZZLVLC-ZJUUUORDSA-N 1 3 258.366 -0.705 20 0 CBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001485823221 918194173 /nfs/dbraw/zinc/19/41/73/918194173.db2.gz QITLTRVAWFFIJK-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001485856914 918212235 /nfs/dbraw/zinc/21/22/35/918212235.db2.gz WAPVMJZQGKZGFW-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001485856917 918212732 /nfs/dbraw/zinc/21/27/32/918212732.db2.gz WAPVMJZQGKZGFW-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC1CC1 ZINC001485919066 918229238 /nfs/dbraw/zinc/22/92/38/918229238.db2.gz JMKMAWAUQYLBJK-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001485947072 918239689 /nfs/dbraw/zinc/23/96/89/918239689.db2.gz LRTZCDMBLQQEKR-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002364 918294890 /nfs/dbraw/zinc/29/48/90/918294890.db2.gz QHOKZSQBTMQAND-VXGBXAGGSA-N 1 3 287.404 -0.428 20 0 CBADHO COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002529 918297349 /nfs/dbraw/zinc/29/73/49/918297349.db2.gz RZDARDXRPOYHKZ-VXGBXAGGSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001486022342 918314542 /nfs/dbraw/zinc/31/45/42/918314542.db2.gz AOJOBQUSOHPHRF-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CC1)N(C)C ZINC001486052259 918344944 /nfs/dbraw/zinc/34/49/44/918344944.db2.gz DHANCVGUZCPLEG-NEPJUHHUSA-N 1 3 257.378 -0.197 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC001486131142 918371699 /nfs/dbraw/zinc/37/16/99/918371699.db2.gz UOSLIBGBTMZZBD-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001488803446 918769070 /nfs/dbraw/zinc/76/90/70/918769070.db2.gz FRUKKKRCINVGMT-RWMBFGLXSA-N 1 3 298.431 -0.055 20 0 CBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001488831211 918773053 /nfs/dbraw/zinc/77/30/53/918773053.db2.gz KNNGZLPWWZVBJK-HAQNSBGRSA-N 1 3 269.389 -0.053 20 0 CBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358242 918896500 /nfs/dbraw/zinc/89/65/00/918896500.db2.gz WXCWTSSOKDJBHL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001490358242 918896511 /nfs/dbraw/zinc/89/65/11/918896511.db2.gz WXCWTSSOKDJBHL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001491455454 919169095 /nfs/dbraw/zinc/16/90/95/919169095.db2.gz RFMWAFYJIMSUIB-VXGBXAGGSA-N 1 3 257.378 -0.054 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456602 919169627 /nfs/dbraw/zinc/16/96/27/919169627.db2.gz IDNKMRAPKAQFTE-QJPTWQEYSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001491456602 919169636 /nfs/dbraw/zinc/16/96/36/919169636.db2.gz IDNKMRAPKAQFTE-QJPTWQEYSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H](N[C@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568114 919207699 /nfs/dbraw/zinc/20/76/99/919207699.db2.gz JKEPELDXHIGRLS-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](N[C@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568134 919208750 /nfs/dbraw/zinc/20/87/50/919208750.db2.gz JKEPELDXHIGRLS-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491635974 919239548 /nfs/dbraw/zinc/23/95/48/919239548.db2.gz CKFKISDYZYNVCP-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001491635974 919239555 /nfs/dbraw/zinc/23/95/55/919239555.db2.gz CKFKISDYZYNVCP-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001491651456 919243578 /nfs/dbraw/zinc/24/35/78/919243578.db2.gz XBCCBWSKCATBIH-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001491855842 919290809 /nfs/dbraw/zinc/29/08/09/919290809.db2.gz IIKFHBXMTMATPX-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001491849115 919291473 /nfs/dbraw/zinc/29/14/73/919291473.db2.gz DKRSMINBQSECIW-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549065 919578055 /nfs/dbraw/zinc/57/80/55/919578055.db2.gz CKLSUCXHPQMHQI-ZYHUDNBSSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(=O)N(C)C ZINC001493600751 919590910 /nfs/dbraw/zinc/59/09/10/919590910.db2.gz RHTYUXHCMGUGJZ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762107 919615802 /nfs/dbraw/zinc/61/58/02/919615802.db2.gz QAUYOPVAFSRHIB-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493762107 919615810 /nfs/dbraw/zinc/61/58/10/919615810.db2.gz QAUYOPVAFSRHIB-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCNCC(N)=O)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761425 919615919 /nfs/dbraw/zinc/61/59/19/919615919.db2.gz KCEAJLFGIJGTFL-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(CCNCC(N)=O)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761428 919616561 /nfs/dbraw/zinc/61/65/61/919616561.db2.gz KCEAJLFGIJGTFL-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001493769783 919620631 /nfs/dbraw/zinc/62/06/31/919620631.db2.gz RNBPXBQSXLKHRC-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001493807237 919624847 /nfs/dbraw/zinc/62/48/47/919624847.db2.gz XYBCFCUPVKONDB-GFCCVEGCSA-N 1 3 286.420 -0.149 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301406 919885573 /nfs/dbraw/zinc/88/55/73/919885573.db2.gz UHCSOQFEANHTKC-YGRLFVJLSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301406 919885587 /nfs/dbraw/zinc/88/55/87/919885587.db2.gz UHCSOQFEANHTKC-YGRLFVJLSA-N 1 3 282.388 -0.702 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001496208055 920044574 /nfs/dbraw/zinc/04/45/74/920044574.db2.gz BISSIHYEAJJOFG-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230432 920046869 /nfs/dbraw/zinc/04/68/69/920046869.db2.gz WLJQZFHJRKZSSH-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496230432 920046882 /nfs/dbraw/zinc/04/68/82/920046882.db2.gz WLJQZFHJRKZSSH-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CN1CCCC1 ZINC001496230044 920049174 /nfs/dbraw/zinc/04/91/74/920049174.db2.gz PFTGMFKNWSZZIW-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)N(C)C ZINC001497265401 920278030 /nfs/dbraw/zinc/27/80/30/920278030.db2.gz VOJSTRNLGPKVNE-CMPLNLGQSA-N 1 3 272.393 -0.458 20 0 CBADHO CCN(CC[NH2+]CCCO)C(=O)[C@@H]1CCCN1C ZINC001497361332 920296023 /nfs/dbraw/zinc/29/60/23/920296023.db2.gz CMUMOIXIHUYMLD-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484137 920309375 /nfs/dbraw/zinc/30/93/75/920309375.db2.gz HKSDNLRWFUZONW-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497484137 920309391 /nfs/dbraw/zinc/30/93/91/920309391.db2.gz HKSDNLRWFUZONW-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495398 920312232 /nfs/dbraw/zinc/31/22/32/920312232.db2.gz GTQKMGUFWNJHOB-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495398 920312250 /nfs/dbraw/zinc/31/22/50/920312250.db2.gz GTQKMGUFWNJHOB-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484034 920313115 /nfs/dbraw/zinc/31/31/15/920313115.db2.gz HKSDNLRWFUZONW-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497484034 920313131 /nfs/dbraw/zinc/31/31/31/920313131.db2.gz HKSDNLRWFUZONW-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001497676471 920366336 /nfs/dbraw/zinc/36/63/36/920366336.db2.gz YZIINZJMYOOTFS-PCAWENJQSA-N 1 3 282.388 -0.521 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001497829450 920404028 /nfs/dbraw/zinc/40/40/28/920404028.db2.gz NGYAMTDDOYZFBU-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](C[NH2+]CCn1cncn1)NC(=O)CN(C)C1CCC1 ZINC001497830243 920404755 /nfs/dbraw/zinc/40/47/55/920404755.db2.gz ZYCWZGYNYCUDNV-GFCCVEGCSA-N 1 3 294.403 -0.143 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983746 920432071 /nfs/dbraw/zinc/43/20/71/920432071.db2.gz KRHKYXIQTWHYAD-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983746 920432085 /nfs/dbraw/zinc/43/20/85/920432085.db2.gz KRHKYXIQTWHYAD-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001498053134 920464148 /nfs/dbraw/zinc/46/41/48/920464148.db2.gz GIAQWBUDVFQKPF-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001498153859 920503162 /nfs/dbraw/zinc/50/31/62/920503162.db2.gz TUDYRLOTCQQDSW-WDEREUQCSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001498153859 920503170 /nfs/dbraw/zinc/50/31/70/920503170.db2.gz TUDYRLOTCQQDSW-WDEREUQCSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001498581235 920612180 /nfs/dbraw/zinc/61/21/80/920612180.db2.gz CXAZGDLJQIRSMB-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001498652503 920622900 /nfs/dbraw/zinc/62/29/00/920622900.db2.gz CREAZUGKLLNSNM-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817022 920642256 /nfs/dbraw/zinc/64/22/56/920642256.db2.gz JMXCQVQCNVTKNE-ZWNOBZJWSA-N 1 3 296.415 -0.314 20 0 CBADHO C[NH+]1CCC(CC(=O)N[C@H](CNCC(N)=O)C2CC2)CC1 ZINC001498832985 920644118 /nfs/dbraw/zinc/64/41/18/920644118.db2.gz SBGDTMBRKASFHK-CYBMUJFWSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499926462 920786405 /nfs/dbraw/zinc/78/64/05/920786405.db2.gz JLTKOYGKSOOYRQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499926462 920786418 /nfs/dbraw/zinc/78/64/18/920786418.db2.gz JLTKOYGKSOOYRQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083426 920945630 /nfs/dbraw/zinc/94/56/30/920945630.db2.gz IDFVBRGOOSHXHI-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001501345786 920977067 /nfs/dbraw/zinc/97/70/67/920977067.db2.gz PDKVZJCNZMEQRL-AWEZNQCLSA-N 1 3 287.404 -0.736 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)CC[N@@H+]1C ZINC001501992905 921077416 /nfs/dbraw/zinc/07/74/16/921077416.db2.gz HZPXUCBRDSXUIO-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)CC[N@H+]1C ZINC001501992905 921077429 /nfs/dbraw/zinc/07/74/29/921077429.db2.gz HZPXUCBRDSXUIO-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001507335813 921812368 /nfs/dbraw/zinc/81/23/68/921812368.db2.gz ZBHGVYHXADQHCE-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001507335813 921812376 /nfs/dbraw/zinc/81/23/76/921812376.db2.gz ZBHGVYHXADQHCE-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507444950 921823842 /nfs/dbraw/zinc/82/38/42/921823842.db2.gz ZHNRYUCGOIKLLT-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001515319698 922230631 /nfs/dbraw/zinc/23/06/31/922230631.db2.gz XLVFXGKPVHQWRV-LPWJVIDDSA-N 1 3 267.373 -0.219 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001521152468 922337954 /nfs/dbraw/zinc/33/79/54/922337954.db2.gz WHDNPDSDDXZGCM-VHSXEESVSA-N 1 3 257.334 -0.617 20 0 CBADHO CCCN(C(=O)[C@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001521408963 922353382 /nfs/dbraw/zinc/35/33/82/922353382.db2.gz PNARFPVAEVKXLD-CYBMUJFWSA-N 1 3 268.405 -0.119 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001521511793 922364090 /nfs/dbraw/zinc/36/40/90/922364090.db2.gz DACDYCGFSHCJQN-GFCCVEGCSA-N 1 3 266.389 -0.508 20 0 CBADHO COCC[C@H](N)C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001521739539 922378435 /nfs/dbraw/zinc/37/84/35/922378435.db2.gz BSSVSODKEQCCJK-UWVGGRQHSA-N 1 3 261.391 -0.439 20 0 CBADHO CCN(CC)CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001522657781 922498182 /nfs/dbraw/zinc/49/81/82/922498182.db2.gz UFUOLQOAMXMDHK-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522657781 922498191 /nfs/dbraw/zinc/49/81/91/922498191.db2.gz UFUOLQOAMXMDHK-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@@H]1NC[C@H](C)N(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1C ZINC001522823504 922529070 /nfs/dbraw/zinc/52/90/70/922529070.db2.gz CBGDADFNWLDHMJ-BJDJZHNGSA-N 1 3 256.394 -0.137 20 0 CBADHO C[NH2+]CCCC(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575744 923401215 /nfs/dbraw/zinc/40/12/15/923401215.db2.gz JYUWCWIVTCLREF-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC001548558262 923383932 /nfs/dbraw/zinc/38/39/32/923383932.db2.gz OCQIKHKMJRTMKQ-RYUDHWBXSA-N 1 3 268.405 -0.216 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548566023 923388958 /nfs/dbraw/zinc/38/89/58/923388958.db2.gz RZQWZXHEHDMPEM-MNOVXSKESA-N 1 3 272.418 -0.899 20 0 CBADHO CC1(C)CN(C(=O)C2CC[NH2+]CC2)CC2(CNC2)O1 ZINC001548576018 923400928 /nfs/dbraw/zinc/40/09/28/923400928.db2.gz OUHHKXCNIXVGLD-UHFFFAOYSA-N 1 3 267.373 -0.035 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC2(CNC2)O1 ZINC001548580108 923403272 /nfs/dbraw/zinc/40/32/72/923403272.db2.gz VVCFETATWABOEC-SMDDNHRTSA-N 1 3 279.384 -0.035 20 0 CBADHO COC1(C(=O)N2CC3(CNC3)OC(C)(C)C2)CC[NH2+]CC1 ZINC001548576538 923403770 /nfs/dbraw/zinc/40/37/70/923403770.db2.gz WRDZBYOHRLSZCG-UHFFFAOYSA-N 1 3 297.399 -0.266 20 0 CBADHO CC1(C(=O)N2CC3(CNC3)OC(C)(C)C2)C[NH2+]C1 ZINC001548579030 923404182 /nfs/dbraw/zinc/40/41/82/923404182.db2.gz PDVYMDXHOOYFKR-UHFFFAOYSA-N 1 3 253.346 -0.425 20 0 CBADHO CC(C)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548623846 923409760 /nfs/dbraw/zinc/40/97/60/923409760.db2.gz HMGZMQMAAZYAST-KGLIPLIRSA-N 1 3 280.416 -0.073 20 0 CBADHO CC(C)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548623846 923409765 /nfs/dbraw/zinc/40/97/65/923409765.db2.gz HMGZMQMAAZYAST-KGLIPLIRSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001548680134 923441209 /nfs/dbraw/zinc/44/12/09/923441209.db2.gz NFHSKVVAQIPSIA-YIYPIFLZSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001548680134 923441220 /nfs/dbraw/zinc/44/12/20/923441220.db2.gz NFHSKVVAQIPSIA-YIYPIFLZSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001548680129 923441438 /nfs/dbraw/zinc/44/14/38/923441438.db2.gz NFHSKVVAQIPSIA-MQYQWHSLSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC001548680129 923441453 /nfs/dbraw/zinc/44/14/53/923441453.db2.gz NFHSKVVAQIPSIA-MQYQWHSLSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)N1C ZINC001548711156 923470781 /nfs/dbraw/zinc/47/07/81/923470781.db2.gz SZNIFCNOOCJBAR-XJFOESAGSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)N1C ZINC001548711156 923470785 /nfs/dbraw/zinc/47/07/85/923470785.db2.gz SZNIFCNOOCJBAR-XJFOESAGSA-N 1 3 280.416 -0.074 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045760 923541378 /nfs/dbraw/zinc/54/13/78/923541378.db2.gz ISQXWYLCUQVCEH-UWVGGRQHSA-N 1 3 276.331 -0.525 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047348 923542135 /nfs/dbraw/zinc/54/21/35/923542135.db2.gz RKGGGIHSZVLMKF-DRZSPHRISA-N 1 3 292.387 -0.102 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001549047340 923542848 /nfs/dbraw/zinc/54/28/48/923542848.db2.gz QYGAGCBVLPGUAR-NDBYEHHHSA-N 1 3 290.371 -0.634 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001549047342 923543654 /nfs/dbraw/zinc/54/36/54/923543654.db2.gz QYGAGCBVLPGUAR-WUHRBBMRSA-N 1 3 290.371 -0.634 20 0 CBADHO C[C@@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@H](C)[NH3+] ZINC001549047818 923545783 /nfs/dbraw/zinc/54/57/83/923545783.db2.gz ZQUQVZPRVCAXJJ-SCVCMEIPSA-N 1 3 280.376 -0.116 20 0 CBADHO CC(C)[NH2+]CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549293817 923585987 /nfs/dbraw/zinc/58/59/87/923585987.db2.gz SSSFPTMPJOSGMT-LBPRGKRZSA-N 1 3 280.376 -0.102 20 0 CBADHO O=C(C[C@@H]1CNCCO1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549747156 923643030 /nfs/dbraw/zinc/64/30/30/923643030.db2.gz RLOKYBTVCLVTCJ-VHSXEESVSA-N 1 3 279.344 -0.196 20 0 CBADHO O=C(C[C@H]1CNCCO1)Nc1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001549747154 923643217 /nfs/dbraw/zinc/64/32/17/923643217.db2.gz RLOKYBTVCLVTCJ-UWVGGRQHSA-N 1 3 279.344 -0.196 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001549900177 923647621 /nfs/dbraw/zinc/64/76/21/923647621.db2.gz XKFOCJIYTBTERW-DGCLKSJQSA-N 1 3 298.431 -0.020 20 0 CBADHO CCC[C@@H](N)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088497 923676140 /nfs/dbraw/zinc/67/61/40/923676140.db2.gz PUXAPKGCSOKIJI-WDEREUQCSA-N 1 3 266.349 -0.444 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550095246 923678388 /nfs/dbraw/zinc/67/83/88/923678388.db2.gz HRRZWJNLPGJFDQ-WCQYABFASA-N 1 3 292.387 -0.148 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550095246 923678404 /nfs/dbraw/zinc/67/84/04/923678404.db2.gz HRRZWJNLPGJFDQ-WCQYABFASA-N 1 3 292.387 -0.148 20 0 CBADHO C[C@@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC001550094643 923678946 /nfs/dbraw/zinc/67/89/46/923678946.db2.gz XQADHHABHPWCPB-GXTWGEPZSA-N 1 3 292.387 -0.100 20 0 CBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550094935 923679613 /nfs/dbraw/zinc/67/96/13/923679613.db2.gz ANRGWADXFODLIE-QWRGUYRKSA-N 1 3 278.360 -0.492 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550097060 923681762 /nfs/dbraw/zinc/68/17/62/923681762.db2.gz XSKDHXQSVZGLOY-MNOVXSKESA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550097329 923682326 /nfs/dbraw/zinc/68/23/26/923682326.db2.gz KMWUUMXIAKKUTH-WCQYABFASA-N 1 3 278.360 -0.490 20 0 CBADHO [NH3+]CC12CC(NC(=O)[C@H]3CN4CCC[C@H]4CO3)(C1)C2 ZINC001550118203 923689338 /nfs/dbraw/zinc/68/93/38/923689338.db2.gz PXRSHIFWEVDWFD-YWBBTBBSSA-N 1 3 265.357 -0.153 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001550121842 923696835 /nfs/dbraw/zinc/69/68/35/923696835.db2.gz BDWAESAISJMJGY-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550188780 923706504 /nfs/dbraw/zinc/70/65/04/923706504.db2.gz NUJZHTCMFQJEQK-STQMWFEESA-N 1 3 285.388 -0.423 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550183987 923707649 /nfs/dbraw/zinc/70/76/49/923707649.db2.gz PPDNBOCCNCTHLW-FRRDWIJNSA-N 1 3 285.388 -0.295 20 0 CBADHO N[C@@H](CC1CC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550190375 923709047 /nfs/dbraw/zinc/70/90/47/923709047.db2.gz UPQMRKDGQUMFGD-RYUDHWBXSA-N 1 3 278.360 -0.444 20 0 CBADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCNC[C@@H](O)C1 ZINC001550738822 923744065 /nfs/dbraw/zinc/74/40/65/923744065.db2.gz CSOMUCOZJDIMOT-MCIONIFRSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCNC[C@@H](O)C1 ZINC001550738822 923744071 /nfs/dbraw/zinc/74/40/71/923744071.db2.gz CSOMUCOZJDIMOT-MCIONIFRSA-N 1 3 296.415 -0.021 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCNC[C@@H](O)C2)C1 ZINC001550748817 923746419 /nfs/dbraw/zinc/74/64/19/923746419.db2.gz VMWPSYNBSGDMSF-VXGBXAGGSA-N 1 3 284.404 -0.260 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCNC[C@H](O)C1 ZINC001551485275 923798296 /nfs/dbraw/zinc/79/82/96/923798296.db2.gz DIYNPOZSZXZESQ-FPMFFAJLSA-N 1 3 290.367 -0.413 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC001551501904 923800204 /nfs/dbraw/zinc/80/02/04/923800204.db2.gz FXLCFYDDVCLRAA-FPMFFAJLSA-N 1 3 290.367 -0.101 20 0 CBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]21 ZINC001551586280 923804455 /nfs/dbraw/zinc/80/44/55/923804455.db2.gz MPLVUXAXVFEYGO-RBPLVZGOSA-N 1 3 294.399 -0.427 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CN1C1CC1 ZINC001552199927 923855809 /nfs/dbraw/zinc/85/58/09/923855809.db2.gz GAVLWSYINNVWLP-FJJYHAOUSA-N 1 3 279.384 -0.036 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CN1C1CC1 ZINC001552199974 923856895 /nfs/dbraw/zinc/85/68/95/923856895.db2.gz GAVLWSYINNVWLP-MCYUEQNJSA-N 1 3 279.384 -0.036 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200986 923859632 /nfs/dbraw/zinc/85/96/32/923859632.db2.gz YPBFQYQNAMEOLA-DMDPSCGWSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCN1 ZINC001552203093 923861789 /nfs/dbraw/zinc/86/17/89/923861789.db2.gz VRHGNPRFXRSGIC-MBNYWOFBSA-N 1 3 267.373 -0.321 20 0 CBADHO CC1(C)CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCN1 ZINC001552205157 923864815 /nfs/dbraw/zinc/86/48/15/923864815.db2.gz ZIPJPRXKNKNKQQ-GXFFZTMASA-N 1 3 253.346 -0.567 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552203570 923865378 /nfs/dbraw/zinc/86/53/78/923865378.db2.gz FZUFRIWOZDXMJC-YRGRVCCFSA-N 1 3 283.372 -0.989 20 0 CBADHO CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCN1 ZINC001552205159 923865427 /nfs/dbraw/zinc/86/54/27/923865427.db2.gz ZIPJPRXKNKNKQQ-MFKMUULPSA-N 1 3 253.346 -0.567 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212614 923868747 /nfs/dbraw/zinc/86/87/47/923868747.db2.gz AUYDNDDZMMMABN-GRYCIOLGSA-N 1 3 280.372 -0.854 20 0 CBADHO CN(C(=O)[C@@]12C[NH2+]C[C@@H]1COC2)[C@H]1CCN(C)C1 ZINC001552215371 923869788 /nfs/dbraw/zinc/86/97/88/923869788.db2.gz FZDJDOBDQHITEV-NTZNESFSSA-N 1 3 253.346 -0.615 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC[C@@H]1F ZINC001552216309 923870773 /nfs/dbraw/zinc/87/07/73/923870773.db2.gz PVKNSCRXJPQFST-LPEHRKFASA-N 1 3 282.323 -0.676 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552443113 923909960 /nfs/dbraw/zinc/90/99/60/923909960.db2.gz ZMUNGKMKIJBJLX-NXEZZACHSA-N 1 3 279.344 -0.795 20 0 CBADHO [NH3+][C@H]1CN(C(=O)c2cccc3c2CNC3)C[C@H]1n1ccnn1 ZINC001552678963 923911799 /nfs/dbraw/zinc/91/17/99/923911799.db2.gz AKIDORJUORBOMN-UONOGXRCSA-N 1 3 298.350 -0.094 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552840685 923919959 /nfs/dbraw/zinc/91/99/59/923919959.db2.gz AESCTCUROAMYQO-GMXVVIOVSA-N 1 3 253.346 -0.377 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCN2C2CC2)C1 ZINC001552987879 923931836 /nfs/dbraw/zinc/93/18/36/923931836.db2.gz PBVMFSGJDYCEFN-AWEZNQCLSA-N 1 3 280.416 -0.167 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCN2C2CC2)C1 ZINC001552987879 923931844 /nfs/dbraw/zinc/93/18/44/923931844.db2.gz PBVMFSGJDYCEFN-AWEZNQCLSA-N 1 3 280.416 -0.167 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCN2C2CC2)C1 ZINC001552987881 923932721 /nfs/dbraw/zinc/93/27/21/923932721.db2.gz PBVMFSGJDYCEFN-CQSZACIVSA-N 1 3 280.416 -0.167 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCN2C2CC2)C1 ZINC001552987881 923932726 /nfs/dbraw/zinc/93/27/26/923932726.db2.gz PBVMFSGJDYCEFN-CQSZACIVSA-N 1 3 280.416 -0.167 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304954 923948124 /nfs/dbraw/zinc/94/81/24/923948124.db2.gz QHHBLJPCFDTVBN-JHJVBQTASA-N 1 3 266.389 -0.380 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)c1cnc([C@H]2CCCN2)nc1 ZINC001553349842 923953721 /nfs/dbraw/zinc/95/37/21/923953721.db2.gz DLFRZXUOPZATOM-WDEREUQCSA-N 1 3 261.329 -0.007 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCN1 ZINC001553405807 923976796 /nfs/dbraw/zinc/97/67/96/923976796.db2.gz DRAOVYSLRXXMFS-ZDEQEGDKSA-N 1 3 267.373 -0.038 20 0 CBADHO O=C(NCCN1CCCC1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553405762 923978135 /nfs/dbraw/zinc/97/81/35/923978135.db2.gz GXPYTEVVFXUFEP-SDDRHHMPSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553411970 923986619 /nfs/dbraw/zinc/98/66/19/923986619.db2.gz SIZMMURCQZUPGY-FVCCEPFGSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCN1C ZINC001553429285 923996681 /nfs/dbraw/zinc/99/66/81/923996681.db2.gz JYVXALIUESVIDK-GCHJQGSQSA-N 1 3 253.346 -0.285 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553501566 924015375 /nfs/dbraw/zinc/01/53/75/924015375.db2.gz GFCYVPDNCSSOGX-IHRRRGAJSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553506308 924017041 /nfs/dbraw/zinc/01/70/41/924017041.db2.gz UVKDATSMVYKMGP-GMXVVIOVSA-N 1 3 268.361 -0.584 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553516120 924020760 /nfs/dbraw/zinc/02/07/60/924020760.db2.gz ZAGJWHMBOCDDBW-XQQFMLRXSA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+]CC1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553534683 924025905 /nfs/dbraw/zinc/02/59/05/924025905.db2.gz YTXVUVIDTQJJJN-OLZOCXBDSA-N 1 3 296.415 -0.034 20 0 CBADHO [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553541297 924027670 /nfs/dbraw/zinc/02/76/70/924027670.db2.gz XGKSFUHFPKYDGW-NEPJUHHUSA-N 1 3 282.388 -0.282 20 0 CBADHO [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553541301 924029201 /nfs/dbraw/zinc/02/92/01/924029201.db2.gz XGKSFUHFPKYDGW-VXGBXAGGSA-N 1 3 282.388 -0.282 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)C2CC[NH2+]CC2)CCO1 ZINC000353707391 282136440 /nfs/dbraw/zinc/13/64/40/282136440.db2.gz NNPSILUYJOBJPZ-LBPRGKRZSA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423647031 282182594 /nfs/dbraw/zinc/18/25/94/282182594.db2.gz MQRHBSMNYQREDV-VXGBXAGGSA-N 1 3 282.388 -0.511 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000126066851 187214111 /nfs/dbraw/zinc/21/41/11/187214111.db2.gz BFEJHXAFFOMORV-ZDUSSCGKSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH+]1CCCC1 ZINC000126111084 187217938 /nfs/dbraw/zinc/21/79/38/187217938.db2.gz ASXJKZDZKXDMKK-LBPRGKRZSA-N 1 3 270.377 -0.702 20 0 CBADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)N3CCOCC3)C[C@@H]12 ZINC000351488851 219104532 /nfs/dbraw/zinc/10/45/32/219104532.db2.gz GJYGDDVSUBDSJN-YNEHKIRRSA-N 1 3 267.373 -0.096 20 0 CBADHO C[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000333773905 290707962 /nfs/dbraw/zinc/70/79/62/290707962.db2.gz CLXHNRKLOYRCOK-RYUDHWBXSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351546308 219122560 /nfs/dbraw/zinc/12/25/60/219122560.db2.gz YREMMGNVTFAMGZ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000351560096 219126373 /nfs/dbraw/zinc/12/63/73/219126373.db2.gz WBWGTAAUUJRXPC-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCC(N(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351553221 219124450 /nfs/dbraw/zinc/12/44/50/219124450.db2.gz AAEUPWOQJYWWDZ-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000423519157 290829661 /nfs/dbraw/zinc/82/96/61/290829661.db2.gz VGHLSIYXCMZMSO-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573801267 334967033 /nfs/dbraw/zinc/96/70/33/334967033.db2.gz XCDOUHMLBUXHEU-USZNOCQGSA-N 1 3 283.372 -0.147 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352004074 219283673 /nfs/dbraw/zinc/28/36/73/219283673.db2.gz NUDBPGVQZXTQPZ-JQWIXIFHSA-N 1 3 272.393 -0.280 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352004078 219286236 /nfs/dbraw/zinc/28/62/36/219286236.db2.gz NUDBPGVQZXTQPZ-ZYHUDNBSSA-N 1 3 272.393 -0.280 20 0 CBADHO CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000339666804 215288754 /nfs/dbraw/zinc/28/87/54/215288754.db2.gz ARPIRRUFAZKALV-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339643677 215285100 /nfs/dbraw/zinc/28/51/00/215285100.db2.gz BBWHPCMBDHATBT-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[NH+]1CCC(NC(=O)C[C@@H]2CNCCO2)CC1 ZINC000091309723 180131594 /nfs/dbraw/zinc/13/15/94/180131594.db2.gz WTHGIGZSDREKFV-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000091313339 180132910 /nfs/dbraw/zinc/13/29/10/180132910.db2.gz YFNZOAYAKFQXHZ-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@H+](CCNC(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000352086572 219313290 /nfs/dbraw/zinc/31/32/90/219313290.db2.gz FBQQFEGBWIALLW-ZDUSSCGKSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[N@@H+](CCNC(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000352086572 219313292 /nfs/dbraw/zinc/31/32/92/219313292.db2.gz FBQQFEGBWIALLW-ZDUSSCGKSA-N 1 3 286.420 -0.068 20 0 CBADHO COCCCN(CCOC)CCN1CC[NH2+]CC1 ZINC000042425405 351431213 /nfs/dbraw/zinc/43/12/13/351431213.db2.gz QNBNAUQRNZFHFC-UHFFFAOYSA-N 1 3 259.394 -0.124 20 0 CBADHO CC(C)[NH+]1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000053298670 351526920 /nfs/dbraw/zinc/52/69/20/351526920.db2.gz KHHSFUWXGNYKAM-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN(CC)C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179669 351580050 /nfs/dbraw/zinc/58/00/50/351580050.db2.gz ROSNREBWCVAXRS-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO COC(=O)CCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179785 351580285 /nfs/dbraw/zinc/58/02/85/351580285.db2.gz UQUBMIDJEJPCKM-NSHDSACASA-N 1 3 271.361 -0.274 20 0 CBADHO CC[C@H](C(N)=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180200 351580443 /nfs/dbraw/zinc/58/04/43/351580443.db2.gz WSLJATVSUUFUII-VHSXEESVSA-N 1 3 256.350 -0.963 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000070171090 351636060 /nfs/dbraw/zinc/63/60/60/351636060.db2.gz AGJMWDSUYKLEDV-CQSZACIVSA-N 1 3 296.415 -0.262 20 0 CBADHO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073644085 351655142 /nfs/dbraw/zinc/65/51/42/351655142.db2.gz VTTRTZBMCXHSNX-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073644085 351655146 /nfs/dbraw/zinc/65/51/46/351655146.db2.gz VTTRTZBMCXHSNX-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000091311836 351743500 /nfs/dbraw/zinc/74/35/00/351743500.db2.gz HQQVVIXIJQRQFM-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(CCC(=O)NC(N)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843685 351829904 /nfs/dbraw/zinc/82/99/04/351829904.db2.gz JPDKQVQZNOGCSB-SNVBAGLBSA-N 1 3 256.350 -0.155 20 0 CBADHO CN(CCC(=O)NC(N)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843685 351829905 /nfs/dbraw/zinc/82/99/05/351829905.db2.gz JPDKQVQZNOGCSB-SNVBAGLBSA-N 1 3 256.350 -0.155 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000114478257 351816988 /nfs/dbraw/zinc/81/69/88/351816988.db2.gz AYQFGIGHVYXNGD-GFCCVEGCSA-N 1 3 285.388 -0.109 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000126276957 351859203 /nfs/dbraw/zinc/85/92/03/351859203.db2.gz FSZDZYYMQVFBCX-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000126276957 351859207 /nfs/dbraw/zinc/85/92/07/351859207.db2.gz FSZDZYYMQVFBCX-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000126331045 351860417 /nfs/dbraw/zinc/86/04/17/351860417.db2.gz AKHZQWNJBXZMTQ-AWEZNQCLSA-N 1 3 298.431 -0.114 20 0 CBADHO O=C(C[C@@H]1CSCCN1)NCCN1CC[NH2+]CC1 ZINC000130938460 351882783 /nfs/dbraw/zinc/88/27/83/351882783.db2.gz ZUPYIWRRSZSCTD-LLVKDONJSA-N 1 3 272.418 -0.897 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000152869054 351941223 /nfs/dbraw/zinc/94/12/23/351941223.db2.gz KUBPXRXSBWEEDC-VXGBXAGGSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000132959594 351896600 /nfs/dbraw/zinc/89/66/00/351896600.db2.gz WGXFCODOPYFEJK-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CNCCO2)CC[N@H+]1C ZINC000132959594 351896602 /nfs/dbraw/zinc/89/66/02/351896602.db2.gz WGXFCODOPYFEJK-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1C(=O)CNC1=O ZINC000133632116 351900983 /nfs/dbraw/zinc/90/09/83/351900983.db2.gz ZIOYTLQMVWUTDU-OUAUKWLOSA-N 1 3 268.361 -0.144 20 0 CBADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1C(=O)CNC1=O ZINC000133632116 351900986 /nfs/dbraw/zinc/90/09/86/351900986.db2.gz ZIOYTLQMVWUTDU-OUAUKWLOSA-N 1 3 268.361 -0.144 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)CNC2CC2)CC1 ZINC000154672362 351947070 /nfs/dbraw/zinc/94/70/70/351947070.db2.gz WUPRFUFCRLPYQU-UHFFFAOYSA-N 1 3 268.405 -0.119 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc[nH]c(=O)c1 ZINC000155459226 351950143 /nfs/dbraw/zinc/95/01/43/351950143.db2.gz AJRQURJSTLGSEI-UHFFFAOYSA-N 1 3 280.372 -0.060 20 0 CBADHO C[C@@H]1C[C@H](NC[C@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000158249396 351958682 /nfs/dbraw/zinc/95/86/82/351958682.db2.gz ZWPSUAYSIDXIRF-MCIONIFRSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H]1C[C@H](NC[C@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000158249396 351958684 /nfs/dbraw/zinc/95/86/84/351958684.db2.gz ZWPSUAYSIDXIRF-MCIONIFRSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCNCC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000167265068 351989771 /nfs/dbraw/zinc/98/97/71/351989771.db2.gz ZCCJVVVUUPICBV-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCNCC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000167265068 351989772 /nfs/dbraw/zinc/98/97/72/351989772.db2.gz ZCCJVVVUUPICBV-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C)C[NH+]1CCN(C)CC1 ZINC000176012431 352062471 /nfs/dbraw/zinc/06/24/71/352062471.db2.gz IJQVDPFWKMYOSV-LBPRGKRZSA-N 1 3 256.394 -0.452 20 0 CBADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000172810556 352031115 /nfs/dbraw/zinc/03/11/15/352031115.db2.gz SPXSVPNSNPWXKR-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000172810556 352031118 /nfs/dbraw/zinc/03/11/18/352031118.db2.gz SPXSVPNSNPWXKR-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178811504 352083746 /nfs/dbraw/zinc/08/37/46/352083746.db2.gz NYHVZCQROLFBCV-GFCCVEGCSA-N 1 3 261.341 -0.228 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000179194602 352088322 /nfs/dbraw/zinc/08/83/22/352088322.db2.gz QRWNPIOAFGSIBC-MNOVXSKESA-N 1 3 270.377 -0.798 20 0 CBADHO COC[C@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180965288 352097481 /nfs/dbraw/zinc/09/74/81/352097481.db2.gz HCLJBVSWIHWVTD-CQSZACIVSA-N 1 3 273.421 -0.049 20 0 CBADHO COC[C@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180965288 352097486 /nfs/dbraw/zinc/09/74/86/352097486.db2.gz HCLJBVSWIHWVTD-CQSZACIVSA-N 1 3 273.421 -0.049 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000187188607 352136417 /nfs/dbraw/zinc/13/64/17/352136417.db2.gz OKFRROWKIOTOHO-GMTAPVOTSA-N 1 3 263.407 -0.146 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188779091 352158222 /nfs/dbraw/zinc/15/82/22/352158222.db2.gz PLMSLOSYDZSXJC-WDEREUQCSA-N 1 3 261.341 -0.229 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188779091 352158225 /nfs/dbraw/zinc/15/82/25/352158225.db2.gz PLMSLOSYDZSXJC-WDEREUQCSA-N 1 3 261.341 -0.229 20 0 CBADHO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H](F)CN2)CCOCC1 ZINC000188769593 352158536 /nfs/dbraw/zinc/15/85/36/352158536.db2.gz RXUFSYDVFUQMGQ-WDEREUQCSA-N 1 3 273.352 -0.087 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000192109273 352196443 /nfs/dbraw/zinc/19/64/43/352196443.db2.gz KECHHPURGIUMHY-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[C@H](C(N)=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173882 352240086 /nfs/dbraw/zinc/24/00/86/352240086.db2.gz WSLJATVSUUFUII-NXEZZACHSA-N 1 3 256.350 -0.963 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227575459 352257814 /nfs/dbraw/zinc/25/78/14/352257814.db2.gz WFNRVPCCBONVLC-YPMHNXCESA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000227575459 352257820 /nfs/dbraw/zinc/25/78/20/352257820.db2.gz WFNRVPCCBONVLC-YPMHNXCESA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C[C@H]1CNCCO1 ZINC000234262255 352281885 /nfs/dbraw/zinc/28/18/85/352281885.db2.gz VMLDRNUMLVXATI-NSHDSACASA-N 1 3 259.350 -0.941 20 0 CBADHO CSCC[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000235032958 352286833 /nfs/dbraw/zinc/28/68/33/352286833.db2.gz FZEWMHWUQWLMPX-JTQLQIEISA-N 1 3 263.407 -0.239 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236648533 352291706 /nfs/dbraw/zinc/29/17/06/352291706.db2.gz PHODEMCPXAPTKI-OLZOCXBDSA-N 1 3 298.431 -0.114 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]C)CC1 ZINC000236838305 352294631 /nfs/dbraw/zinc/29/46/31/352294631.db2.gz VRNWEYREUVGDQR-UHFFFAOYSA-N 1 3 270.377 -0.782 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000236874836 352294684 /nfs/dbraw/zinc/29/46/84/352294684.db2.gz UCIMPANYHRMFTJ-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN(CCC(=O)NCC(C)(C)[NH3+])CC1 ZINC000236844367 352295108 /nfs/dbraw/zinc/29/51/08/352295108.db2.gz BYJSCGMENGCAKV-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845614 352295166 /nfs/dbraw/zinc/29/51/66/352295166.db2.gz NPCUFSDXIUPLCW-CHWSQXEVSA-N 1 3 270.421 -0.016 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236891473 352295902 /nfs/dbraw/zinc/29/59/02/352295902.db2.gz SGFZJSXQRVRXEW-CHWSQXEVSA-N 1 3 268.405 -0.119 20 0 CBADHO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000236919877 352296295 /nfs/dbraw/zinc/29/62/95/352296295.db2.gz KJZOXAWUTFKZMR-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CCN1CCN(CCCNC(=O)C[NH2+]C2CC2)CC1 ZINC000236877823 352296394 /nfs/dbraw/zinc/29/63/94/352296394.db2.gz NAIVPPFONQLPGK-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[NH2+]C1CC1 ZINC000237027715 352297998 /nfs/dbraw/zinc/29/79/98/352297998.db2.gz GLBJSIGZHIMQGZ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000237084739 352298412 /nfs/dbraw/zinc/29/84/12/352298412.db2.gz HUWUWKVINBMJTA-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO C[NH2+]CCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237136717 352299431 /nfs/dbraw/zinc/29/94/31/352299431.db2.gz WJEULIXCZQBQHQ-UHFFFAOYSA-N 1 3 296.415 -0.247 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237112805 352299552 /nfs/dbraw/zinc/29/95/52/352299552.db2.gz WIXWSRSRXBUCTD-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO O=C(C[NH2+]C1CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000238157660 352314653 /nfs/dbraw/zinc/31/46/53/352314653.db2.gz ACMVYTNSNRIYIB-UHFFFAOYSA-N 1 3 294.399 -0.495 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H](O)CN1 ZINC000252408126 352376023 /nfs/dbraw/zinc/37/60/23/352376023.db2.gz IKENJHYZPILXDX-WISYIIOYSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@@H](O)CN1 ZINC000252408126 352376026 /nfs/dbraw/zinc/37/60/26/352376026.db2.gz IKENJHYZPILXDX-WISYIIOYSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000252552058 352378093 /nfs/dbraw/zinc/37/80/93/352378093.db2.gz PZKHANZTGZKQJC-TUAOUCFPSA-N 1 3 253.346 -0.282 20 0 CBADHO C[NH2+]CCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252556267 352378437 /nfs/dbraw/zinc/37/84/37/352378437.db2.gz STQPLQXNOYTTFU-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO COC1(C(=O)NC[C@H]2CCCN2C)CC[NH2+]CC1 ZINC000261577401 352389173 /nfs/dbraw/zinc/38/91/73/352389173.db2.gz OGWHWFOGKCBKMN-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N2CCOCC2)C1 ZINC000261726768 352394176 /nfs/dbraw/zinc/39/41/76/352394176.db2.gz JSBZFBVBWPILAB-ZDUSSCGKSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726768 352394178 /nfs/dbraw/zinc/39/41/78/352394178.db2.gz JSBZFBVBWPILAB-ZDUSSCGKSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000261726768 352394181 /nfs/dbraw/zinc/39/41/81/352394181.db2.gz JSBZFBVBWPILAB-ZDUSSCGKSA-N 1 3 255.362 -0.094 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000263268458 352441295 /nfs/dbraw/zinc/44/12/95/352441295.db2.gz VYNOHQQJDAWRKG-YPMHNXCESA-N 1 3 284.404 -0.458 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262513952 352424250 /nfs/dbraw/zinc/42/42/50/352424250.db2.gz MPFABAJCRQHCAK-NDBYEHHHSA-N 1 3 269.389 -0.054 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262566809 352426660 /nfs/dbraw/zinc/42/66/60/352426660.db2.gz YCGVRGSVGDZQPQ-IJLUTSLNSA-N 1 3 255.362 -0.300 20 0 CBADHO C[NH2+]CC(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262737231 352432459 /nfs/dbraw/zinc/43/24/59/352432459.db2.gz HFQAIXJAKBKISN-UHFFFAOYSA-N 1 3 271.361 -0.403 20 0 CBADHO OC[C@H]1CCCN1CCOCC[N@@H+]1CCC[C@H]1CO ZINC000304780960 352747575 /nfs/dbraw/zinc/74/75/75/352747575.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO OC[C@H]1CCCN1CCOCC[N@H+]1CCC[C@H]1CO ZINC000304780960 352747577 /nfs/dbraw/zinc/74/75/77/352747577.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO OC[C@H]1CCC[N@H+]1CCOCCN1CCC[C@H]1CO ZINC000304780960 352747579 /nfs/dbraw/zinc/74/75/79/352747579.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO OC[C@H]1CCC[N@@H+]1CCOCCN1CCC[C@H]1CO ZINC000304780960 352747581 /nfs/dbraw/zinc/74/75/81/352747581.db2.gz GAIMFTBMOXQKKA-OKILXGFUSA-N 1 3 272.389 -0.084 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000311092254 352765825 /nfs/dbraw/zinc/76/58/25/352765825.db2.gz ZBMYWWOQDARPIF-WOPDTQHZSA-N 1 3 257.378 -0.115 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000311092254 352765826 /nfs/dbraw/zinc/76/58/26/352765826.db2.gz ZBMYWWOQDARPIF-WOPDTQHZSA-N 1 3 257.378 -0.115 20 0 CBADHO CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000311761887 352770526 /nfs/dbraw/zinc/77/05/26/352770526.db2.gz VBLGTVZBPMHTOL-GFCCVEGCSA-N 1 3 267.373 -0.083 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCC1 ZINC000331528232 352922583 /nfs/dbraw/zinc/92/25/83/352922583.db2.gz DPPSEAONWRRXNN-LLVKDONJSA-N 1 3 282.388 -0.511 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331589501 352926181 /nfs/dbraw/zinc/92/61/81/352926181.db2.gz GMPYTXSWRJYKFJ-RYUDHWBXSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@H]1[NH3+] ZINC000332218785 352940221 /nfs/dbraw/zinc/94/02/21/352940221.db2.gz IOHPBSNGTREBFQ-IJLUTSLNSA-N 1 3 280.372 -0.901 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332570441 352966632 /nfs/dbraw/zinc/96/66/32/352966632.db2.gz CMFFHOOEMIJCTE-RWMBFGLXSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]1NCCN(C(=O)NCCN2CC[NH2+]CC2)[C@H]1C ZINC000333839611 353011763 /nfs/dbraw/zinc/01/17/63/353011763.db2.gz NZXOEAVLHDOXEH-NEPJUHHUSA-N 1 3 269.393 -0.717 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333949254 353014150 /nfs/dbraw/zinc/01/41/50/353014150.db2.gz XCDORWGQNQCLDR-KBPBESRZSA-N 1 3 295.431 -0.230 20 0 CBADHO CC[N@H+](C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336735456 353050419 /nfs/dbraw/zinc/05/04/19/353050419.db2.gz XERQOEUWLDYNRB-LLVKDONJSA-N 1 3 258.366 -0.846 20 0 CBADHO CC[N@@H+](C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336735456 353050421 /nfs/dbraw/zinc/05/04/21/353050421.db2.gz XERQOEUWLDYNRB-LLVKDONJSA-N 1 3 258.366 -0.846 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339953364 353137666 /nfs/dbraw/zinc/13/76/66/353137666.db2.gz OWOPROBNMRBJQA-UHFFFAOYSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]([NH3+])CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000340183843 353154852 /nfs/dbraw/zinc/15/48/52/353154852.db2.gz HVNHOCMNVVUGSV-LBPRGKRZSA-N 1 3 256.394 -0.180 20 0 CBADHO CCN1CCN(CCCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000340182950 353154880 /nfs/dbraw/zinc/15/48/80/353154880.db2.gz GSCWUSRGKOXRFZ-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340922079 353193279 /nfs/dbraw/zinc/19/32/79/353193279.db2.gz XTDUTYLWJXQJEV-MQYQWHSLSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340922079 353193282 /nfs/dbraw/zinc/19/32/82/353193282.db2.gz XTDUTYLWJXQJEV-MQYQWHSLSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000341259764 353207578 /nfs/dbraw/zinc/20/75/78/353207578.db2.gz LFLDEILNUCQNQC-CHWSQXEVSA-N 1 3 268.405 -0.310 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000342765443 353231976 /nfs/dbraw/zinc/23/19/76/353231976.db2.gz OJZPACZCIJZMMJ-SRVKXCTJSA-N 1 3 283.372 -0.038 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000342765443 353231979 /nfs/dbraw/zinc/23/19/79/353231979.db2.gz OJZPACZCIJZMMJ-SRVKXCTJSA-N 1 3 283.372 -0.038 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CCC(=O)OC ZINC000342695884 353228226 /nfs/dbraw/zinc/22/82/26/353228226.db2.gz GLOPRDBWGOOILP-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CCC(=O)OC ZINC000342695884 353228228 /nfs/dbraw/zinc/22/82/28/353228228.db2.gz GLOPRDBWGOOILP-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342712392 353228672 /nfs/dbraw/zinc/22/86/72/353228672.db2.gz RMGZCUDXKZUYQT-MWLCHTKSSA-N 1 3 271.361 -0.134 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342712392 353228675 /nfs/dbraw/zinc/22/86/75/353228675.db2.gz RMGZCUDXKZUYQT-MWLCHTKSSA-N 1 3 271.361 -0.134 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343179483 353257999 /nfs/dbraw/zinc/25/79/99/353257999.db2.gz LAQNBLKOJONMQF-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343179483 353258000 /nfs/dbraw/zinc/25/80/00/353258000.db2.gz LAQNBLKOJONMQF-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@@H+]1C ZINC000343298076 353265312 /nfs/dbraw/zinc/26/53/12/353265312.db2.gz NHJPMSDFJBRVFE-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)CC[N@H+]1C ZINC000343298076 353265314 /nfs/dbraw/zinc/26/53/14/353265314.db2.gz NHJPMSDFJBRVFE-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343316632 353266923 /nfs/dbraw/zinc/26/69/23/353266923.db2.gz FUIGOOYDJMHJCX-ZDUSSCGKSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343316632 353266924 /nfs/dbraw/zinc/26/69/24/353266924.db2.gz FUIGOOYDJMHJCX-ZDUSSCGKSA-N 1 3 268.405 -0.167 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000343592103 353280461 /nfs/dbraw/zinc/28/04/61/353280461.db2.gz KMSCHFWEHRBNEM-KKZNHRDASA-N 1 3 256.350 -0.966 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343611884 353281103 /nfs/dbraw/zinc/28/11/03/353281103.db2.gz YPAMYEGXVAFVKK-XQQFMLRXSA-N 1 3 268.405 -0.134 20 0 CBADHO CC[C@H](C)[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343611885 353281166 /nfs/dbraw/zinc/28/11/66/353281166.db2.gz YPAMYEGXVAFVKK-YNEHKIRRSA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343677753 353284813 /nfs/dbraw/zinc/28/48/13/353284813.db2.gz PHFDMDZVXOCPDF-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343677753 353284815 /nfs/dbraw/zinc/28/48/15/353284815.db2.gz PHFDMDZVXOCPDF-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)CCOC2CNC2)CC1 ZINC000348994934 353443902 /nfs/dbraw/zinc/44/39/02/353443902.db2.gz UIGGKTRZQDREGV-UHFFFAOYSA-N 1 3 298.431 -0.493 20 0 CBADHO O=C(CCOC1CNC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000348998132 353444256 /nfs/dbraw/zinc/44/42/56/353444256.db2.gz KJBJWEQIORNWHB-NSHDSACASA-N 1 3 253.346 -0.329 20 0 CBADHO O=C(CCOC1CNC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000348998132 353444258 /nfs/dbraw/zinc/44/42/58/353444258.db2.gz KJBJWEQIORNWHB-NSHDSACASA-N 1 3 253.346 -0.329 20 0 CBADHO COCCN(C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349059894 353447168 /nfs/dbraw/zinc/44/71/68/353447168.db2.gz VCSWGOFNWMOOPU-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO CC[N@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349905348 353466853 /nfs/dbraw/zinc/46/68/53/353466853.db2.gz MNKSVFDUJDWQLG-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349905348 353466854 /nfs/dbraw/zinc/46/68/54/353466854.db2.gz MNKSVFDUJDWQLG-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516525 353475836 /nfs/dbraw/zinc/47/58/36/353475836.db2.gz GFIUBMABENOZSJ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498365 353475939 /nfs/dbraw/zinc/47/59/39/353475939.db2.gz VPDXEWUFPDXSGL-DCAQKATOSA-N 1 3 261.391 -0.405 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354659009 353575351 /nfs/dbraw/zinc/57/53/51/353575351.db2.gz KIZCQSYFESJMEE-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCN1CCCCC1 ZINC000354682467 353577493 /nfs/dbraw/zinc/57/74/93/353577493.db2.gz UVFMFMFQVFKDLN-CYBMUJFWSA-N 1 3 296.415 -0.153 20 0 CBADHO C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000354748054 353582351 /nfs/dbraw/zinc/58/23/51/353582351.db2.gz BAFRZHYHFQYGMG-UTUOFQBUSA-N 1 3 282.388 -0.547 20 0 CBADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000358097977 353626445 /nfs/dbraw/zinc/62/64/45/353626445.db2.gz OCVSPERBLQYKOO-UONOGXRCSA-N 1 3 280.416 -0.214 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@H]1COC[C@@H]1O ZINC000361328319 353661625 /nfs/dbraw/zinc/66/16/25/353661625.db2.gz KGKZKXPJBWXRRD-KBPBESRZSA-N 1 3 271.405 -0.296 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105691 353672937 /nfs/dbraw/zinc/67/29/37/353672937.db2.gz QKMZOZNJYHMRAW-GMNPVEAJSA-N 1 3 253.346 -0.692 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367045811 353680068 /nfs/dbraw/zinc/68/00/68/353680068.db2.gz PNTSRTXIPJVVNM-CYBMUJFWSA-N 1 3 284.404 -0.929 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367045811 353680072 /nfs/dbraw/zinc/68/00/72/353680072.db2.gz PNTSRTXIPJVVNM-CYBMUJFWSA-N 1 3 284.404 -0.929 20 0 CBADHO COCCNCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372027623 353709144 /nfs/dbraw/zinc/70/91/44/353709144.db2.gz ZMQNUHPVZGOGRT-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000372097958 353710589 /nfs/dbraw/zinc/71/05/89/353710589.db2.gz FHDPPCYLHFTDQR-LBPRGKRZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000372097958 353710590 /nfs/dbraw/zinc/71/05/90/353710590.db2.gz FHDPPCYLHFTDQR-LBPRGKRZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912761 353724179 /nfs/dbraw/zinc/72/41/79/353724179.db2.gz QKMZOZNJYHMRAW-OHBODLIOSA-N 1 3 253.346 -0.692 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376062481 353771085 /nfs/dbraw/zinc/77/10/85/353771085.db2.gz SCAABZLDWJBCRG-AVGNSLFASA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCN(C)[C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000388525272 353789927 /nfs/dbraw/zinc/78/99/27/353789927.db2.gz VMQJDUSPRGHYBQ-KBPBESRZSA-N 1 3 270.421 -0.723 20 0 CBADHO CN1CCN(C)[C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388525272 353789929 /nfs/dbraw/zinc/78/99/29/353789929.db2.gz VMQJDUSPRGHYBQ-KBPBESRZSA-N 1 3 270.421 -0.723 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CN(C)CCN1C)C1CC1 ZINC000388525272 353789931 /nfs/dbraw/zinc/78/99/31/353789931.db2.gz VMQJDUSPRGHYBQ-KBPBESRZSA-N 1 3 270.421 -0.723 20 0 CBADHO COCC[NH2+]CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000394149880 353794542 /nfs/dbraw/zinc/79/45/42/353794542.db2.gz SAYYDIHEQGHSJJ-LBPRGKRZSA-N 1 3 255.362 -0.225 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000418418318 353996695 /nfs/dbraw/zinc/99/66/95/353996695.db2.gz WEPLRJVFXXRALB-TUAOUCFPSA-N 1 3 270.377 -0.209 20 0 CBADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417440777 353977239 /nfs/dbraw/zinc/97/72/39/353977239.db2.gz OVOKLFSOJBLMOD-LLVKDONJSA-N 1 3 258.366 -0.303 20 0 CBADHO COCCN(C)CCNC(=O)NCC1([NH3+])CCC1 ZINC000417441586 353977273 /nfs/dbraw/zinc/97/72/73/353977273.db2.gz ASIIHWJHYXSDRE-UHFFFAOYSA-N 1 3 258.366 -0.255 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417445001 353977393 /nfs/dbraw/zinc/97/73/93/353977393.db2.gz FIHMKGXMMKEGQK-GFCCVEGCSA-N 1 3 272.393 -0.137 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417440846 353977643 /nfs/dbraw/zinc/97/76/43/353977643.db2.gz PDXPMNQJKULKRM-RYUDHWBXSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417439638 353977811 /nfs/dbraw/zinc/97/78/11/353977811.db2.gz MJAADGVWMWAPSX-JTQLQIEISA-N 1 3 294.346 -0.139 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000417705545 353981087 /nfs/dbraw/zinc/98/10/87/353981087.db2.gz MENNLUPTSOQUDS-RYUDHWBXSA-N 1 3 272.393 -0.010 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000417705546 353981173 /nfs/dbraw/zinc/98/11/73/353981173.db2.gz MENNLUPTSOQUDS-VXGBXAGGSA-N 1 3 272.393 -0.010 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000417705543 353981207 /nfs/dbraw/zinc/98/12/07/353981207.db2.gz MENNLUPTSOQUDS-NEPJUHHUSA-N 1 3 272.393 -0.010 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000417715909 353982380 /nfs/dbraw/zinc/98/23/80/353982380.db2.gz TWYJNSPOWSIAJT-NEPJUHHUSA-N 1 3 270.377 -0.256 20 0 CBADHO COCCCN(C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417753322 353983016 /nfs/dbraw/zinc/98/30/16/353983016.db2.gz OGTNMXHHKTURCR-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000417817639 353983068 /nfs/dbraw/zinc/98/30/68/353983068.db2.gz VFATUMFIHASLET-CHWSQXEVSA-N 1 3 268.405 -0.214 20 0 CBADHO COCCCN(C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417744954 353983210 /nfs/dbraw/zinc/98/32/10/353983210.db2.gz DPPBWCIMHHIASD-LLVKDONJSA-N 1 3 260.382 -0.057 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CNCCO1 ZINC000418442481 353998101 /nfs/dbraw/zinc/99/81/01/353998101.db2.gz NAFBPVGQAAFTAD-WDEREUQCSA-N 1 3 258.366 -0.353 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)NCCOCCN(C)C ZINC000418073978 353987203 /nfs/dbraw/zinc/98/72/03/353987203.db2.gz XCMOCYJCQCQMQI-NSHDSACASA-N 1 3 260.382 -0.281 20 0 CBADHO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)[C@H](C)CN1 ZINC000418066684 353987329 /nfs/dbraw/zinc/98/73/29/353987329.db2.gz LSVJHWZVRZLENR-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)NCCOCCN(C)C)C1 ZINC000418062194 353987667 /nfs/dbraw/zinc/98/76/67/353987667.db2.gz FLCSAWOCQFVFJY-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO [NH3+]CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418292561 353991017 /nfs/dbraw/zinc/99/10/17/353991017.db2.gz CRKHSZVXGSJSAW-OAHLLOKOSA-N 1 3 292.383 -0.119 20 0 CBADHO CC[NH2+]CCNC(=O)NCCNc1ccncc1 ZINC000418315958 353992679 /nfs/dbraw/zinc/99/26/79/353992679.db2.gz JAUJHECZYXKANU-UHFFFAOYSA-N 1 3 251.334 -0.176 20 0 CBADHO CC[NH2+]CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000418313861 353993188 /nfs/dbraw/zinc/99/31/88/353993188.db2.gz COHHVPBCTXMRJF-GFCCVEGCSA-N 1 3 272.393 -0.258 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000418470012 353997976 /nfs/dbraw/zinc/99/79/76/353997976.db2.gz QFZSHVYKFSADPJ-DGCLKSJQSA-N 1 3 272.393 -0.130 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418362981 353994618 /nfs/dbraw/zinc/99/46/18/353994618.db2.gz BQBSKUGAAORVBK-CHWSQXEVSA-N 1 3 286.420 -0.012 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418365194 353994623 /nfs/dbraw/zinc/99/46/23/353994623.db2.gz DVHSLPBZLRCMCL-STQMWFEESA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC[NH2+]C1 ZINC000418374689 353994653 /nfs/dbraw/zinc/99/46/53/353994653.db2.gz GYCTUIHGMHYVQN-RYUDHWBXSA-N 1 3 270.377 -0.506 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CCC[NH2+]C1 ZINC000418375632 353994944 /nfs/dbraw/zinc/99/49/44/353994944.db2.gz FAKVZIGYDUETQM-STQMWFEESA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCC[NH2+]C1 ZINC000418379894 353995950 /nfs/dbraw/zinc/99/59/50/353995950.db2.gz JJTNCANVQJSSME-STQMWFEESA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(CCCO)C1 ZINC000418382605 353995994 /nfs/dbraw/zinc/99/59/94/353995994.db2.gz MLIYCJKAXLLPFV-CHWSQXEVSA-N 1 3 284.404 -0.116 20 0 CBADHO COCCNCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418506571 354000061 /nfs/dbraw/zinc/00/00/61/354000061.db2.gz ITEWCVSADWLATR-QWRGUYRKSA-N 1 3 258.366 -0.480 20 0 CBADHO COCCNCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418512676 354001541 /nfs/dbraw/zinc/00/15/41/354001541.db2.gz UGYHIBUXGKVSCV-YNEHKIRRSA-N 1 3 284.404 -0.009 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553712 354002457 /nfs/dbraw/zinc/00/24/57/354002457.db2.gz UDAGDFIYWZJVDU-GFCCVEGCSA-N 1 3 272.393 -0.258 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418533642 354002632 /nfs/dbraw/zinc/00/26/32/354002632.db2.gz DOMMZPJIPMPISC-CQSZACIVSA-N 1 3 286.420 -0.011 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418732229 354006233 /nfs/dbraw/zinc/00/62/33/354006233.db2.gz QNMVVBPTVSQDLR-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](C)CN1 ZINC000418767196 354008222 /nfs/dbraw/zinc/00/82/22/354008222.db2.gz NTDJORGUAPYEFT-VWYCJHECSA-N 1 3 256.350 -0.633 20 0 CBADHO CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CCN1 ZINC000418774708 354008882 /nfs/dbraw/zinc/00/88/82/354008882.db2.gz VOSUFOQXFOPOKZ-JTQLQIEISA-N 1 3 256.350 -0.632 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418812259 354009717 /nfs/dbraw/zinc/00/97/17/354009717.db2.gz WZNVUBICGBMFJR-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419008189 354023149 /nfs/dbraw/zinc/02/31/49/354023149.db2.gz VAZKHQCDIGLNBZ-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419018919 354023668 /nfs/dbraw/zinc/02/36/68/354023668.db2.gz CVUSIUXPAPZSSG-QNWHQSFQSA-N 1 3 298.431 -0.068 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419020831 354024117 /nfs/dbraw/zinc/02/41/17/354024117.db2.gz GETPWUUZGUZQNH-FRRDWIJNSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030615 354024990 /nfs/dbraw/zinc/02/49/90/354024990.db2.gz UBYHNKDNTYHFID-XQQFMLRXSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028418 354025356 /nfs/dbraw/zinc/02/53/56/354025356.db2.gz QHIRWTZKKBZAIB-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[NH2+]C ZINC000419071417 354027499 /nfs/dbraw/zinc/02/74/99/354027499.db2.gz AAJCDUFMHUAFBU-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCN(C)C1CC1 ZINC000419099112 354028400 /nfs/dbraw/zinc/02/84/00/354028400.db2.gz HSSTXCFXBJBTIP-UHFFFAOYSA-N 1 3 284.404 -0.360 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000419105243 354028545 /nfs/dbraw/zinc/02/85/45/354028545.db2.gz NMGPWTHWBOHKDL-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419105893 354028702 /nfs/dbraw/zinc/02/87/02/354028702.db2.gz OCRIHAQHVZYWGL-SNVBAGLBSA-N 1 3 268.361 -0.854 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000419110732 354028759 /nfs/dbraw/zinc/02/87/59/354028759.db2.gz STTPNBMZSUEHFL-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419100138 354028879 /nfs/dbraw/zinc/02/88/79/354028879.db2.gz IVMCMROMUQPWRQ-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000419112529 354029646 /nfs/dbraw/zinc/02/96/46/354029646.db2.gz VEWUWJAEPXUUFE-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419166226 354034904 /nfs/dbraw/zinc/03/49/04/354034904.db2.gz HIKPAVICZZERON-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419174969 354035008 /nfs/dbraw/zinc/03/50/08/354035008.db2.gz WRTUUPXXQYNGIN-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419174968 354035094 /nfs/dbraw/zinc/03/50/94/354035094.db2.gz WRTUUPXXQYNGIN-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419222685 354038584 /nfs/dbraw/zinc/03/85/84/354038584.db2.gz BVXBVQMBIOJEKU-GFCCVEGCSA-N 1 3 282.388 -0.558 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419874523 354087760 /nfs/dbraw/zinc/08/77/60/354087760.db2.gz WBWJLTDZVFGUQS-OLZOCXBDSA-N 1 3 296.415 -0.219 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419578056 354063831 /nfs/dbraw/zinc/06/38/31/354063831.db2.gz DTVJKOJXDFRNBD-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419579898 354064241 /nfs/dbraw/zinc/06/42/41/354064241.db2.gz GXNUMRNJHGXAJA-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N(C)C1CC1 ZINC000419596384 354065231 /nfs/dbraw/zinc/06/52/31/354065231.db2.gz YAVQXBFWMQSICM-CABZTGNLSA-N 1 3 282.388 -0.561 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419689194 354070339 /nfs/dbraw/zinc/07/03/39/354070339.db2.gz ACZVNMSKRSNIIM-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419694225 354070404 /nfs/dbraw/zinc/07/04/04/354070404.db2.gz JEOCFSWWIFUSRR-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419737333 354074056 /nfs/dbraw/zinc/07/40/56/354074056.db2.gz SWEKDNOBPLGXSS-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419766542 354075688 /nfs/dbraw/zinc/07/56/88/354075688.db2.gz RMTGJLSAXUNMAS-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419769685 354076223 /nfs/dbraw/zinc/07/62/23/354076223.db2.gz VUZCVVYTRPJTNP-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419783822 354077468 /nfs/dbraw/zinc/07/74/68/354077468.db2.gz VQMLKNJBVDTBEX-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)CN)C(C)C ZINC000419795715 354078667 /nfs/dbraw/zinc/07/86/67/354078667.db2.gz LFRXYGPYKMIPGP-NSHDSACASA-N 1 3 272.393 -0.315 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419883359 354088529 /nfs/dbraw/zinc/08/85/29/354088529.db2.gz DDLBWARBVRGNGY-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419880024 354088538 /nfs/dbraw/zinc/08/85/38/354088538.db2.gz UBCNNQHLGAYISA-UHFFFAOYSA-N 1 3 272.393 -0.632 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)C[NH+]1CCCC1 ZINC000419823627 354080475 /nfs/dbraw/zinc/08/04/75/354080475.db2.gz MDPVEDGTRGZHBB-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC[NH3+] ZINC000419825689 354081165 /nfs/dbraw/zinc/08/11/65/354081165.db2.gz BBUDQRDCKWNBDO-UHFFFAOYSA-N 1 3 272.393 -0.502 20 0 CBADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831122 354081490 /nfs/dbraw/zinc/08/14/90/354081490.db2.gz LITWJYBNGDMBOC-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCCNCC1)C[NH+]1CCCC1 ZINC000419832554 354082276 /nfs/dbraw/zinc/08/22/76/354082276.db2.gz RPRZEPNKFPKJJA-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000419881140 354088603 /nfs/dbraw/zinc/08/86/03/354088603.db2.gz ATMLSQYRODESST-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC1 ZINC000419857505 354085620 /nfs/dbraw/zinc/08/56/20/354085620.db2.gz GJNXCTTZXQOUBL-LBPRGKRZSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419292362 354044232 /nfs/dbraw/zinc/04/42/32/354044232.db2.gz YMCRGGPKKGGATF-LBPRGKRZSA-N 1 3 286.420 -0.066 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419285500 354044774 /nfs/dbraw/zinc/04/47/74/354044774.db2.gz MNDNVIBPYYBPKL-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419402623 354051425 /nfs/dbraw/zinc/05/14/25/354051425.db2.gz CMNXLWIORACLBA-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419402689 354051471 /nfs/dbraw/zinc/05/14/71/354051471.db2.gz CVPGDRACMIKZSP-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419410004 354052343 /nfs/dbraw/zinc/05/23/43/354052343.db2.gz NWTALLJIIPRYNG-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000419410489 354052594 /nfs/dbraw/zinc/05/25/94/354052594.db2.gz OMPTZKXBPAXVOX-NSHDSACASA-N 1 3 270.377 -0.748 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419415136 354052624 /nfs/dbraw/zinc/05/26/24/354052624.db2.gz USTQTHBGSHAMRG-LBPRGKRZSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCN)C1 ZINC000419423443 354053317 /nfs/dbraw/zinc/05/33/17/354053317.db2.gz NJFLYWHGTJSUCV-TXEJJXNPSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCN)C1 ZINC000419423443 354053323 /nfs/dbraw/zinc/05/33/23/354053323.db2.gz NJFLYWHGTJSUCV-TXEJJXNPSA-N 1 3 284.404 -0.455 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419416533 354053813 /nfs/dbraw/zinc/05/38/13/354053813.db2.gz WGRMIDGMXLZQHY-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419519021 354057713 /nfs/dbraw/zinc/05/77/13/354057713.db2.gz FFMVUPGCSXMYDX-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419519021 354057716 /nfs/dbraw/zinc/05/77/16/354057716.db2.gz FFMVUPGCSXMYDX-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419526356 354058257 /nfs/dbraw/zinc/05/82/57/354058257.db2.gz STNRKFGXZFICAX-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419524520 354058517 /nfs/dbraw/zinc/05/85/17/354058517.db2.gz PXLGORROQHOYSO-VXGBXAGGSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419524936 354058763 /nfs/dbraw/zinc/05/87/63/354058763.db2.gz QPNOGXDGUUSHHI-UPJWGTAASA-N 1 3 296.415 -0.489 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419530300 354058783 /nfs/dbraw/zinc/05/87/83/354058783.db2.gz YVDPWPQQAZDPIC-GFCCVEGCSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419527014 354058803 /nfs/dbraw/zinc/05/88/03/354058803.db2.gz URIARJDIFFLSSE-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887561 354089526 /nfs/dbraw/zinc/08/95/26/354089526.db2.gz QPPNKEBWVFSVRR-UPJWGTAASA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884213 354089666 /nfs/dbraw/zinc/08/96/66/354089666.db2.gz FNCFBSOSMWKVCQ-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894241 354090975 /nfs/dbraw/zinc/09/09/75/354090975.db2.gz QSWJEJURGLTDDR-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1N(C)C ZINC000419930521 354094449 /nfs/dbraw/zinc/09/44/49/354094449.db2.gz BGTUTNJRQHIGRB-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000419964315 354098373 /nfs/dbraw/zinc/09/83/73/354098373.db2.gz FTXOLDBXQVJZOA-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419991903 354100155 /nfs/dbraw/zinc/10/01/55/354100155.db2.gz JAIPJNWEYFEHIU-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419996469 354101028 /nfs/dbraw/zinc/10/10/28/354101028.db2.gz NJTRDRQMCVWTJS-GFCCVEGCSA-N 1 3 286.420 -0.114 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000419993384 354101211 /nfs/dbraw/zinc/10/12/11/354101211.db2.gz IKZAGBOUSZACIV-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000420012793 354102007 /nfs/dbraw/zinc/10/20/07/354102007.db2.gz JUEBIFWOHHQKDQ-IJLUTSLNSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420010452 354102038 /nfs/dbraw/zinc/10/20/38/354102038.db2.gz XLNMCZGMIVPBJJ-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N1CCC[C@@H](C)C1 ZINC000420020991 354102744 /nfs/dbraw/zinc/10/27/44/354102744.db2.gz GRGPEWNTXIFGKK-GRYCIOLGSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)CN ZINC000420020564 354102775 /nfs/dbraw/zinc/10/27/75/354102775.db2.gz FWJQFEJCOVWOOC-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420068424 354106981 /nfs/dbraw/zinc/10/69/81/354106981.db2.gz UVRJJPOFBAETNH-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420073835 354107285 /nfs/dbraw/zinc/10/72/85/354107285.db2.gz GUTPIYUFCQYMBO-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000420154820 354114287 /nfs/dbraw/zinc/11/42/87/354114287.db2.gz JLRLAMCNAYMEEJ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000420162734 354115226 /nfs/dbraw/zinc/11/52/26/354115226.db2.gz YRJYHMGFMICFQZ-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(CC[C@@H]1CCC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000420270833 354120745 /nfs/dbraw/zinc/12/07/45/354120745.db2.gz JPJKKFWGIJPGIA-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321576 354122565 /nfs/dbraw/zinc/12/25/65/354122565.db2.gz CXCCWKFAGZBLCU-QWHCGFSZSA-N 1 3 297.399 -0.013 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000420312008 354123132 /nfs/dbraw/zinc/12/31/32/354123132.db2.gz HNDHMEXANOBMEY-MNOVXSKESA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000420312008 354123133 /nfs/dbraw/zinc/12/31/33/354123133.db2.gz HNDHMEXANOBMEY-MNOVXSKESA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000420312008 354123134 /nfs/dbraw/zinc/12/31/34/354123134.db2.gz HNDHMEXANOBMEY-MNOVXSKESA-N 1 3 271.361 -0.323 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000420400624 354127178 /nfs/dbraw/zinc/12/71/78/354127178.db2.gz PCLYZZJSKAEXFF-OKILXGFUSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000420400624 354127182 /nfs/dbraw/zinc/12/71/82/354127182.db2.gz PCLYZZJSKAEXFF-OKILXGFUSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000423234642 354165274 /nfs/dbraw/zinc/16/52/74/354165274.db2.gz MFPKBZWPRBJZJG-GFCCVEGCSA-N 1 3 298.431 -0.018 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000423214023 354165998 /nfs/dbraw/zinc/16/59/98/354165998.db2.gz ODIQBPFKAMKIJH-LBPRGKRZSA-N 1 3 282.388 -0.639 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423386834 354173452 /nfs/dbraw/zinc/17/34/52/354173452.db2.gz RSXLGWQCORUOOJ-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423431084 354176005 /nfs/dbraw/zinc/17/60/05/354176005.db2.gz NJTODSPITPBGHC-LBPRGKRZSA-N 1 3 268.405 -0.262 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422975815 354158349 /nfs/dbraw/zinc/15/83/49/354158349.db2.gz UEZJZAHCZSXFNV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422972966 354158483 /nfs/dbraw/zinc/15/84/83/354158483.db2.gz NGEVKSJNIYEGLK-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422970866 354158623 /nfs/dbraw/zinc/15/86/23/354158623.db2.gz HHOFYQXMHVPYMW-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000423057748 354161351 /nfs/dbraw/zinc/16/13/51/354161351.db2.gz ANWFUYUEEXILHD-NEPJUHHUSA-N 1 3 284.404 -0.550 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423058597 354161575 /nfs/dbraw/zinc/16/15/75/354161575.db2.gz CSIYCFJASCWYGR-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CCS(=O)(=O)N1CC(CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423055001 354161899 /nfs/dbraw/zinc/16/18/99/354161899.db2.gz CNTYMQZBJHXNEP-JQWIXIFHSA-N 1 3 275.418 -0.145 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000423198246 354164525 /nfs/dbraw/zinc/16/45/25/354164525.db2.gz DVJTUCPOTUGVIE-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423578571 354180854 /nfs/dbraw/zinc/18/08/54/354180854.db2.gz LPKCJKFQNVNFDB-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H]1CCN(C(=O)C2(N)CCOCC2)C[C@H]1C[NH3+] ZINC000424187747 354217226 /nfs/dbraw/zinc/21/72/26/354217226.db2.gz BGMUQISAOSOCTI-WDEREUQCSA-N 1 3 255.362 -0.062 20 0 CBADHO C[C@@H]1CCN(C(=O)C2(N)CCOCC2)C[C@H]1C[NH3+] ZINC000424187743 354217232 /nfs/dbraw/zinc/21/72/32/354217232.db2.gz BGMUQISAOSOCTI-GHMZBOCLSA-N 1 3 255.362 -0.062 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423733899 354194639 /nfs/dbraw/zinc/19/46/39/354194639.db2.gz QLOZTBWLQKSDLC-YPMHNXCESA-N 1 3 294.399 -0.641 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000423729263 354195061 /nfs/dbraw/zinc/19/50/61/354195061.db2.gz UZEBNCUZLCLIOC-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)CN1 ZINC000423807137 354200613 /nfs/dbraw/zinc/20/06/13/354200613.db2.gz VIWHEOCVSZTRNA-JHJVBQTASA-N 1 3 269.389 -0.054 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)CN1 ZINC000423807137 354200618 /nfs/dbraw/zinc/20/06/18/354200618.db2.gz VIWHEOCVSZTRNA-JHJVBQTASA-N 1 3 269.389 -0.054 20 0 CBADHO [NH3+]C[C@H](NC(=O)CCOC1CNC1)C1CCCC1 ZINC000423935890 354205476 /nfs/dbraw/zinc/20/54/76/354205476.db2.gz BDWOGSMOHHKENN-LBPRGKRZSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1=O ZINC000423954376 354205945 /nfs/dbraw/zinc/20/59/45/354205945.db2.gz MVKZEYWKJRNSTI-NEPJUHHUSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H]1CCN(C(=O)CCOC2CNC2)C[C@@H]1C[NH3+] ZINC000424000765 354206770 /nfs/dbraw/zinc/20/67/70/354206770.db2.gz OPFIFZIYBNERCB-MNOVXSKESA-N 1 3 255.362 -0.192 20 0 CBADHO CN1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129059 354210034 /nfs/dbraw/zinc/21/00/34/354210034.db2.gz FYWYXBUUNXUXMH-VXGBXAGGSA-N 1 3 292.387 -0.116 20 0 CBADHO CN1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129057 354210098 /nfs/dbraw/zinc/21/00/98/354210098.db2.gz FYWYXBUUNXUXMH-RYUDHWBXSA-N 1 3 292.387 -0.116 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000423508280 354178379 /nfs/dbraw/zinc/17/83/79/354178379.db2.gz KROKANGPGGSTRX-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO O=C(COC1CNC1)NCCC[NH+]1CCCCC1 ZINC000430832804 354250501 /nfs/dbraw/zinc/25/05/01/354250501.db2.gz JMAMNASEXNWLIC-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)[NH3+])CN1CCN(C)CC1 ZINC000431002980 354251338 /nfs/dbraw/zinc/25/13/38/354251338.db2.gz FAUDVJKYCPHOHV-LLVKDONJSA-N 1 3 256.394 -0.277 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000431013216 354251425 /nfs/dbraw/zinc/25/14/25/354251425.db2.gz HWKVZCCIMGWZOO-STQMWFEESA-N 1 3 270.421 -0.158 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000431013213 354251614 /nfs/dbraw/zinc/25/16/14/354251614.db2.gz HWKVZCCIMGWZOO-CHWSQXEVSA-N 1 3 270.421 -0.158 20 0 CBADHO CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424223609 354220086 /nfs/dbraw/zinc/22/00/86/354220086.db2.gz IERPUZINKGHASN-FRRDWIJNSA-N 1 3 279.388 -0.096 20 0 CBADHO C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N(C)C ZINC000424476881 354225704 /nfs/dbraw/zinc/22/57/04/354225704.db2.gz KPBAQIOGAYUGCS-WCFLWFBJSA-N 1 3 294.403 -0.194 20 0 CBADHO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446292435 354286686 /nfs/dbraw/zinc/28/66/86/354286686.db2.gz RHECTFAFURNVAH-CMPLNLGQSA-N 1 3 273.352 -0.087 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000447438390 354298489 /nfs/dbraw/zinc/29/84/89/354298489.db2.gz FGPOFJMRZONWAG-ZYHUDNBSSA-N 1 3 275.418 -0.096 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000447438388 354298721 /nfs/dbraw/zinc/29/87/21/354298721.db2.gz FGPOFJMRZONWAG-JQWIXIFHSA-N 1 3 275.418 -0.096 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000449601670 354320789 /nfs/dbraw/zinc/32/07/89/354320789.db2.gz NNSPVJQFDGZYIK-GARJFASQSA-N 1 3 270.377 -0.752 20 0 CBADHO CN(C)C/C=C/C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491871517 354460897 /nfs/dbraw/zinc/46/08/97/354460897.db2.gz QSAXEMJBWMOODT-WXJAXGNASA-N 1 3 296.415 -0.192 20 0 CBADHO CN(C)C/C=C/C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491871517 354460900 /nfs/dbraw/zinc/46/09/00/354460900.db2.gz QSAXEMJBWMOODT-WXJAXGNASA-N 1 3 296.415 -0.192 20 0 CBADHO CN1CCN(CCCNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491896259 354461957 /nfs/dbraw/zinc/46/19/57/354461957.db2.gz ZANBUAXOYZBJTG-XQRVVYSFSA-N 1 3 268.405 -0.142 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000515520880 354556130 /nfs/dbraw/zinc/55/61/30/354556130.db2.gz BEUBQULZEVTXJI-RYUDHWBXSA-N 1 3 271.409 -0.389 20 0 CBADHO O=C(C[C@H]1CNCCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000519403082 354561064 /nfs/dbraw/zinc/56/10/64/354561064.db2.gz PXIAKVYYYBICNC-RYUDHWBXSA-N 1 3 253.346 -0.282 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000519546229 354562793 /nfs/dbraw/zinc/56/27/93/354562793.db2.gz UFANQHZNHRGOOE-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000525437680 354571578 /nfs/dbraw/zinc/57/15/78/354571578.db2.gz WPTXTXZSABCSDT-GFCCVEGCSA-N 1 3 296.415 -0.021 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843211 354550823 /nfs/dbraw/zinc/55/08/23/354550823.db2.gz AFSUUMCUCRGPCN-MFKMUULPSA-N 1 3 291.392 -0.568 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000543718943 354637006 /nfs/dbraw/zinc/63/70/06/354637006.db2.gz LNHVVKHPQOMOEM-UHFFFAOYSA-N 1 3 272.393 -0.136 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COCCN1C ZINC000545910867 354649903 /nfs/dbraw/zinc/64/99/03/354649903.db2.gz FNVAGVCLJYKDLY-ZDUSSCGKSA-N 1 3 286.420 -0.731 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)CN1CCN(C)CC1 ZINC000563077519 354694692 /nfs/dbraw/zinc/69/46/92/354694692.db2.gz IFCOPMKZNINIDW-MCIONIFRSA-N 1 3 282.432 -0.016 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N(C)CCCN1CCN(C)CC1 ZINC000563083539 354695355 /nfs/dbraw/zinc/69/53/55/354695355.db2.gz PLAVVPMVWJCHCD-LBPRGKRZSA-N 1 3 256.394 -0.323 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000563102291 354696532 /nfs/dbraw/zinc/69/65/32/354696532.db2.gz RKADLFPUODJNHP-MRVPVSSYSA-N 1 3 267.337 -0.992 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000563109387 354697357 /nfs/dbraw/zinc/69/73/57/354697357.db2.gz ASOJLIRLTVWBPT-DGCLKSJQSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153679 354699499 /nfs/dbraw/zinc/69/94/99/354699499.db2.gz DMONATIIWCUNGD-VWYCJHECSA-N 1 3 268.361 -0.109 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000563160527 354700962 /nfs/dbraw/zinc/70/09/62/354700962.db2.gz VKJGXWBXADEVLF-BZPMIXESSA-N 1 3 298.431 -0.116 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000563160527 354700965 /nfs/dbraw/zinc/70/09/65/354700965.db2.gz VKJGXWBXADEVLF-BZPMIXESSA-N 1 3 298.431 -0.116 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563160104 354700992 /nfs/dbraw/zinc/70/09/92/354700992.db2.gz WSKDEOCRYMKBDA-JSGCOSHPSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000563160530 354701034 /nfs/dbraw/zinc/70/10/34/354701034.db2.gz VKJGXWBXADEVLF-OBJOEFQTSA-N 1 3 298.431 -0.116 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000563160530 354701037 /nfs/dbraw/zinc/70/10/37/354701037.db2.gz VKJGXWBXADEVLF-OBJOEFQTSA-N 1 3 298.431 -0.116 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000564732997 354715332 /nfs/dbraw/zinc/71/53/32/354715332.db2.gz KFHJBQMUDYDSPO-UKRRQHHQSA-N 1 3 298.431 -0.899 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000564733428 354715924 /nfs/dbraw/zinc/71/59/24/354715924.db2.gz RQKPQZAVCOUZSW-CHWSQXEVSA-N 1 3 255.362 -0.441 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000564733428 354715925 /nfs/dbraw/zinc/71/59/25/354715925.db2.gz RQKPQZAVCOUZSW-CHWSQXEVSA-N 1 3 255.362 -0.441 20 0 CBADHO CCC[C@@H]1C[NH2+]CCN1CCC(=O)N1CCNCC1 ZINC000564799326 354717573 /nfs/dbraw/zinc/71/75/73/354717573.db2.gz UOQCJHXCUHUJRC-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CCC[C@@H]1CNCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000564799326 354717576 /nfs/dbraw/zinc/71/75/76/354717576.db2.gz UOQCJHXCUHUJRC-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CCC[C@@H]1CNCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000564799326 354717577 /nfs/dbraw/zinc/71/75/77/354717577.db2.gz UOQCJHXCUHUJRC-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CC[NH+](CC)CCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565237012 354733647 /nfs/dbraw/zinc/73/36/47/354733647.db2.gz ASVZBBFHLWWZCQ-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932846 354721444 /nfs/dbraw/zinc/72/14/44/354721444.db2.gz JRWASVHVKJXRAG-ZIAGYGMSSA-N 1 3 296.415 -0.739 20 0 CBADHO N[C@@H]1C[C@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233709 354733931 /nfs/dbraw/zinc/73/39/31/354733931.db2.gz OXGCEKOEVFXQSS-NWDGAFQWSA-N 1 3 253.346 -0.343 20 0 CBADHO N[C@@H]1C[C@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233709 354733932 /nfs/dbraw/zinc/73/39/32/354733932.db2.gz OXGCEKOEVFXQSS-NWDGAFQWSA-N 1 3 253.346 -0.343 20 0 CBADHO COC[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000565769710 354745574 /nfs/dbraw/zinc/74/55/74/354745574.db2.gz RARVEHNJWUFEQT-NEPJUHHUSA-N 1 3 273.377 -0.829 20 0 CBADHO COC[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000565769710 354745577 /nfs/dbraw/zinc/74/55/77/354745577.db2.gz RARVEHNJWUFEQT-NEPJUHHUSA-N 1 3 273.377 -0.829 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC2CNC2)C1 ZINC000565763852 354745610 /nfs/dbraw/zinc/74/56/10/354745610.db2.gz FHYIBIPOVWNONK-TXEJJXNPSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC2CNC2)C1 ZINC000565763852 354745612 /nfs/dbraw/zinc/74/56/12/354745612.db2.gz FHYIBIPOVWNONK-TXEJJXNPSA-N 1 3 296.415 -0.441 20 0 CBADHO O=C(COC1CNC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000565950924 354749598 /nfs/dbraw/zinc/74/95/98/354749598.db2.gz ANOQWJRBBGVDGA-YPMHNXCESA-N 1 3 267.373 -0.035 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000566179469 354755070 /nfs/dbraw/zinc/75/50/70/354755070.db2.gz OWOYOLLCXUGRHV-QWHCGFSZSA-N 1 3 269.389 -0.195 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000566179470 354755239 /nfs/dbraw/zinc/75/52/39/354755239.db2.gz OWOYOLLCXUGRHV-STQMWFEESA-N 1 3 269.389 -0.195 20 0 CBADHO CN1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566171323 354755347 /nfs/dbraw/zinc/75/53/47/354755347.db2.gz LKVVEXWEGANGKQ-NWDGAFQWSA-N 1 3 292.387 -0.288 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566189642 354755832 /nfs/dbraw/zinc/75/58/32/354755832.db2.gz RVKIKOBZVMJKQT-SDDRHHMPSA-N 1 3 253.346 -0.567 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000567613899 354791560 /nfs/dbraw/zinc/79/15/60/354791560.db2.gz SSUNPSPVUAQLHY-RVMXOQNASA-N 1 3 296.415 -0.077 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000566511839 354770550 /nfs/dbraw/zinc/77/05/50/354770550.db2.gz CBLDVXSKMRGESC-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH2+][C@@H]1CCCN(C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000566619913 354771938 /nfs/dbraw/zinc/77/19/38/354771938.db2.gz IQEIFDBWFUOAIJ-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H](O)[C@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000566792100 354774574 /nfs/dbraw/zinc/77/45/74/354774574.db2.gz KLVAUBSGPYSZHI-SRVKXCTJSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@H](O)[C@H](C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000566792100 354774576 /nfs/dbraw/zinc/77/45/76/354774576.db2.gz KLVAUBSGPYSZHI-SRVKXCTJSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H](CNC(=O)CCOC1CNC1)[NH+]1CCCC1 ZINC000566854240 354776346 /nfs/dbraw/zinc/77/63/46/354776346.db2.gz ZIOUWBIQFOTHGK-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567063212 354780523 /nfs/dbraw/zinc/78/05/23/354780523.db2.gz RQHHZIJOGVTGGE-RYUDHWBXSA-N 1 3 297.403 -0.672 20 0 CBADHO C[C@@H]([NH3+])CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567109053 354781290 /nfs/dbraw/zinc/78/12/90/354781290.db2.gz PXGQJLGUTLKAFG-MRVPVSSYSA-N 1 3 267.337 -0.720 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCC1 ZINC000567267595 354785061 /nfs/dbraw/zinc/78/50/61/354785061.db2.gz FPZFXWUQAHHBHM-VXGBXAGGSA-N 1 3 282.388 -0.573 20 0 CBADHO CC(C)(N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000565656366 354742821 /nfs/dbraw/zinc/74/28/21/354742821.db2.gz NBLWPKJBRIXBLR-SECBINFHSA-N 1 3 256.350 -0.963 20 0 CBADHO C[NH+](C)CCOc1cc(CNCCC(N)=O)ccn1 ZINC000565712045 354743835 /nfs/dbraw/zinc/74/38/35/354743835.db2.gz KLONMCVULKFUBL-UHFFFAOYSA-N 1 3 266.345 -0.013 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COC1CNC1 ZINC000567811715 354798246 /nfs/dbraw/zinc/79/82/46/354798246.db2.gz BFJNDFKLWXMOJZ-JQWIXIFHSA-N 1 3 255.362 -0.227 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COC1CNC1 ZINC000567811715 354798247 /nfs/dbraw/zinc/79/82/47/354798247.db2.gz BFJNDFKLWXMOJZ-JQWIXIFHSA-N 1 3 255.362 -0.227 20 0 CBADHO CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@@H](CN)C1 ZINC000567819849 354799168 /nfs/dbraw/zinc/79/91/68/354799168.db2.gz ALLJGSINVJMABF-AWEZNQCLSA-N 1 3 291.399 -0.070 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000567880065 354802727 /nfs/dbraw/zinc/80/27/27/354802727.db2.gz AYQXOECRBOQTDD-NNYUYHANSA-N 1 3 284.404 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000567900024 354804531 /nfs/dbraw/zinc/80/45/31/354804531.db2.gz HRXVSHVKDYVLNP-GVXVVHGQSA-N 1 3 284.404 -0.280 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000568211612 354815357 /nfs/dbraw/zinc/81/53/57/354815357.db2.gz CXDSVAHDNKYVDP-FZMZJTMJSA-N 1 3 267.373 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000568211612 354815359 /nfs/dbraw/zinc/81/53/59/354815359.db2.gz CXDSVAHDNKYVDP-FZMZJTMJSA-N 1 3 267.373 -0.489 20 0 CBADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568267883 354819215 /nfs/dbraw/zinc/81/92/15/354819215.db2.gz NWACLHHXCOHABE-XQHKEYJVSA-N 1 3 294.399 -0.609 20 0 CBADHO CC(C)[C@@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@H](C)[NH3+] ZINC000568264721 354819593 /nfs/dbraw/zinc/81/95/93/354819593.db2.gz UEXDGHNPSKGZOF-VHSXEESVSA-N 1 3 295.391 -0.228 20 0 CBADHO COC[C@@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000568619427 354827848 /nfs/dbraw/zinc/82/78/48/354827848.db2.gz BWXZTYXXRJJXRS-MELADBBJSA-N 1 3 272.389 -0.039 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000568738321 354830501 /nfs/dbraw/zinc/83/05/01/354830501.db2.gz ZHZBRFPGUSMPNK-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570698887 354867967 /nfs/dbraw/zinc/86/79/67/354867967.db2.gz JZTFHNWABFHMIE-GRYCIOLGSA-N 1 3 297.403 -0.687 20 0 CBADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCCC1 ZINC000570926308 354873030 /nfs/dbraw/zinc/87/30/30/354873030.db2.gz UMBGBGSFIDIWCL-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO COCCNCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000570967450 354875067 /nfs/dbraw/zinc/87/50/67/354875067.db2.gz GZXWHPRPDPYMDD-UHFFFAOYSA-N 1 3 295.387 -0.686 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000571047367 354875973 /nfs/dbraw/zinc/87/59/73/354875973.db2.gz VAFLOCMOXHSTNJ-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000569327504 354843149 /nfs/dbraw/zinc/84/31/49/354843149.db2.gz RRLAMFFDTRSJDC-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)CCOC2CNC2)C1 ZINC000570520429 354863891 /nfs/dbraw/zinc/86/38/91/354863891.db2.gz XNCVFPKRSGOOEQ-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)CCOC2CNC2)C1 ZINC000570520429 354863894 /nfs/dbraw/zinc/86/38/94/354863894.db2.gz XNCVFPKRSGOOEQ-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO CN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](CN)C1 ZINC000572347738 354891219 /nfs/dbraw/zinc/89/12/19/354891219.db2.gz MQWVXGDKRLBBJT-LBPRGKRZSA-N 1 3 283.420 -0.340 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000572977059 354902273 /nfs/dbraw/zinc/90/22/73/354902273.db2.gz AOXKWYIZQWVUAM-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000573075194 354903997 /nfs/dbraw/zinc/90/39/97/354903997.db2.gz NDOFPTVPUAOSIZ-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000573204212 354907246 /nfs/dbraw/zinc/90/72/46/354907246.db2.gz OINHDHZGMSOPBW-ZYHUDNBSSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000573218821 354907571 /nfs/dbraw/zinc/90/75/71/354907571.db2.gz PWLKDMBPSHFVBC-WOPDTQHZSA-N 1 3 255.362 -0.539 20 0 CBADHO CC[C@@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573322512 354910223 /nfs/dbraw/zinc/91/02/23/354910223.db2.gz HLTRVWDHKPIDSO-VHSXEESVSA-N 1 3 256.350 -0.963 20 0 CBADHO C[NH2+]CCCN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000573564216 354915057 /nfs/dbraw/zinc/91/50/57/354915057.db2.gz ADHQPWWWCMLLQM-GFCCVEGCSA-N 1 3 252.366 -0.017 20 0 CBADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778484 354880063 /nfs/dbraw/zinc/88/00/63/354880063.db2.gz LBJSBZXKNYVRHB-WCQYABFASA-N 1 3 292.387 -0.207 20 0 CBADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000578226626 354942103 /nfs/dbraw/zinc/94/21/03/354942103.db2.gz LTIHOLAPBNNEBO-QWRGUYRKSA-N 1 3 257.382 -0.779 20 0 CBADHO CCN1CCN(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000578354882 354943818 /nfs/dbraw/zinc/94/38/18/354943818.db2.gz KSLHXMIFCJJYSG-UHFFFAOYSA-N 1 3 254.378 -0.650 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627950 354950559 /nfs/dbraw/zinc/95/05/59/354950559.db2.gz SRYNVPNWEBBSND-DGCLKSJQSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627950 354950561 /nfs/dbraw/zinc/95/05/61/354950561.db2.gz SRYNVPNWEBBSND-DGCLKSJQSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1=CCN(C)CC1 ZINC000578670475 354952595 /nfs/dbraw/zinc/95/25/95/354952595.db2.gz ARZVQZJFTMOBER-JQWIXIFHSA-N 1 3 280.372 -0.769 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000579373085 354969490 /nfs/dbraw/zinc/96/94/90/354969490.db2.gz WNESKQWNPFEANQ-CQSZACIVSA-N 1 3 295.387 -0.759 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000579708816 354976874 /nfs/dbraw/zinc/97/68/74/354976874.db2.gz SJUYGRXORKOCKX-NSHDSACASA-N 1 3 280.376 -0.207 20 0 CBADHO C[C@@H](CCNC(=O)C(=O)NC1CNC1)[NH+]1CCCCC1 ZINC000579692192 354977031 /nfs/dbraw/zinc/97/70/31/354977031.db2.gz MHZREDRIFSEKNP-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000579837771 354980780 /nfs/dbraw/zinc/98/07/80/354980780.db2.gz QAAVIQPWEPUQCG-JSGCOSHPSA-N 1 3 292.383 -0.098 20 0 CBADHO CC[NH2+]CCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000579834269 354981093 /nfs/dbraw/zinc/98/10/93/354981093.db2.gz QPEZOLUXGKUTQE-NSHDSACASA-N 1 3 258.366 -0.798 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](CN)C1 ZINC000580299705 354991782 /nfs/dbraw/zinc/99/17/82/354991782.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 1 3 295.431 -0.103 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](CN)C1 ZINC000580299705 354991784 /nfs/dbraw/zinc/99/17/84/354991784.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 1 3 295.431 -0.103 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480899 355030075 /nfs/dbraw/zinc/03/00/75/355030075.db2.gz SCPKJQDPUMXZRH-OLZOCXBDSA-N 1 3 294.399 -0.463 20 0 CBADHO COCCNCCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000584838590 355039905 /nfs/dbraw/zinc/03/99/05/355039905.db2.gz WGEUMLIKWRMREJ-UHFFFAOYSA-N 1 3 273.377 -0.645 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000583997106 355027392 /nfs/dbraw/zinc/02/73/92/355027392.db2.gz UDLBHSADFDSIOE-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000584002096 355027479 /nfs/dbraw/zinc/02/74/79/355027479.db2.gz LZOPQEWRQKIYON-AVGNSLFASA-N 1 3 260.378 -0.229 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000584002096 355027483 /nfs/dbraw/zinc/02/74/83/355027483.db2.gz LZOPQEWRQKIYON-AVGNSLFASA-N 1 3 260.378 -0.229 20 0 CBADHO CSC[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734984 355112520 /nfs/dbraw/zinc/11/25/20/355112520.db2.gz FYAOQXGFEHITEZ-NWDGAFQWSA-N 1 3 289.445 -0.113 20 0 CBADHO CSC[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000591734984 355112526 /nfs/dbraw/zinc/11/25/26/355112526.db2.gz FYAOQXGFEHITEZ-NWDGAFQWSA-N 1 3 289.445 -0.113 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)CCC(=O)OC ZINC000592548545 355161189 /nfs/dbraw/zinc/16/11/89/355161189.db2.gz HGMWNGMYRLUNJM-LPEHRKFASA-N 1 3 275.324 -0.575 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135923 355133646 /nfs/dbraw/zinc/13/36/46/355133646.db2.gz YKNUGSXOLJMUBO-NWDGAFQWSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135923 355133649 /nfs/dbraw/zinc/13/36/49/355133649.db2.gz YKNUGSXOLJMUBO-NWDGAFQWSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)[C@H]1CNCCCN1C[C@H]1CCC[NH2+]C1 ZINC000592434785 355154528 /nfs/dbraw/zinc/15/45/28/355154528.db2.gz PSEHPGSPEZQFKQ-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000592434784 355154741 /nfs/dbraw/zinc/15/47/41/355154741.db2.gz PSEHPGSPEZQFKQ-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CCC(C)([NH3+])CC1 ZINC000592485245 355156534 /nfs/dbraw/zinc/15/65/34/355156534.db2.gz SZTVGBFPGHSOFW-UHFFFAOYSA-N 1 3 271.361 -0.179 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000592486517 355157570 /nfs/dbraw/zinc/15/75/70/355157570.db2.gz IEKJNECNHZQWRJ-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594873944 355265696 /nfs/dbraw/zinc/26/56/96/355265696.db2.gz WEQLJNHWHXUFET-UWVGGRQHSA-N 1 3 268.361 -0.726 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H](C)[NH3+] ZINC000594877975 355266885 /nfs/dbraw/zinc/26/68/85/355266885.db2.gz JKNQDHLOQISGPJ-QCNOEVLYSA-N 1 3 282.388 -0.624 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594878148 355267285 /nfs/dbraw/zinc/26/72/85/355267285.db2.gz PUEGFRNYVPJQKP-SDDRHHMPSA-N 1 3 294.399 -0.465 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879328 355267820 /nfs/dbraw/zinc/26/78/20/355267820.db2.gz MZMCVSGVIGYVGX-LPWJVIDDSA-N 1 3 292.383 -0.713 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419417090 295901676 /nfs/dbraw/zinc/90/16/76/295901676.db2.gz HTHHQTKOFFUVCO-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO O[C@H](CNC[C@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155412 355273141 /nfs/dbraw/zinc/27/31/41/355273141.db2.gz YLTWZTFZPDYXRH-QWHCGFSZSA-N 1 3 279.388 -0.029 20 0 CBADHO COC(=O)Cn1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000594515174 355251570 /nfs/dbraw/zinc/25/15/70/355251570.db2.gz RGFMQINUNHUGRN-KLPPZKSPSA-N 1 3 281.360 -0.119 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419429867 295901255 /nfs/dbraw/zinc/90/12/55/295901255.db2.gz VDIYNFREYNUOST-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000595895484 355315616 /nfs/dbraw/zinc/31/56/16/355315616.db2.gz OEGRAJRUYQGJCZ-NWDGAFQWSA-N 1 3 283.372 -0.656 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971834 355331336 /nfs/dbraw/zinc/33/13/36/355331336.db2.gz SKYPGRWKMWGNNJ-WDEREUQCSA-N 1 3 292.383 -0.582 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267899 355277401 /nfs/dbraw/zinc/27/74/01/355277401.db2.gz PCUCCILNFKMYLG-GRYCIOLGSA-N 1 3 295.387 -0.918 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595274627 355278107 /nfs/dbraw/zinc/27/81/07/355278107.db2.gz YLLATUAXQJXFLG-QJPTWQEYSA-N 1 3 297.403 -0.687 20 0 CBADHO CCOC(=O)C1([C@H](C)N[C@H]2CCNC2=O)CC[NH2+]CC1 ZINC000596646255 355361484 /nfs/dbraw/zinc/36/14/84/355361484.db2.gz TZOCLHFMXLFZIZ-QWRGUYRKSA-N 1 3 283.372 -0.214 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(N)C2)C1=O ZINC000598680454 355450006 /nfs/dbraw/zinc/45/00/06/355450006.db2.gz BXJQKRVAHCETPT-HUBLWGQQSA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(N)C2)C1=O ZINC000598680454 355450008 /nfs/dbraw/zinc/45/00/08/355450008.db2.gz BXJQKRVAHCETPT-HUBLWGQQSA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000600710056 355562104 /nfs/dbraw/zinc/56/21/04/355562104.db2.gz NRYUHGOBEBEZFO-UWVGGRQHSA-N 1 3 259.350 -0.229 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000600711581 355562346 /nfs/dbraw/zinc/56/23/46/355562346.db2.gz SHMVUVLNZHPODJ-MNOVXSKESA-N 1 3 271.361 -0.085 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000600711581 355562348 /nfs/dbraw/zinc/56/23/48/355562348.db2.gz SHMVUVLNZHPODJ-MNOVXSKESA-N 1 3 271.361 -0.085 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](N)C[C@@H]1C ZINC000601330560 355587305 /nfs/dbraw/zinc/58/73/05/355587305.db2.gz UVSHUIHJFPSLSD-UWVGGRQHSA-N 1 3 257.334 -0.571 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](N)C[C@@H]1C ZINC000601330560 355587308 /nfs/dbraw/zinc/58/73/08/355587308.db2.gz UVSHUIHJFPSLSD-UWVGGRQHSA-N 1 3 257.334 -0.571 20 0 CBADHO CCN(CC)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602463473 355652085 /nfs/dbraw/zinc/65/20/85/355652085.db2.gz BCCIZQZSLWURDL-LJQANCHMSA-N 1 3 289.445 -0.055 20 0 CBADHO CC(C)N(C)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602472676 355652370 /nfs/dbraw/zinc/65/23/70/355652370.db2.gz JMOVLDQZHBDGHU-LJQANCHMSA-N 1 3 289.445 -0.057 20 0 CBADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000602522678 355656696 /nfs/dbraw/zinc/65/66/96/355656696.db2.gz FVDJWXVTPYNERD-SRVKXCTJSA-N 1 3 282.388 -0.480 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000602523733 355657636 /nfs/dbraw/zinc/65/76/36/355657636.db2.gz HOMLNXIZMNOHKD-GRYCIOLGSA-N 1 3 280.372 -0.901 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000602523733 355657639 /nfs/dbraw/zinc/65/76/39/355657639.db2.gz HOMLNXIZMNOHKD-GRYCIOLGSA-N 1 3 280.372 -0.901 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000602605573 355664845 /nfs/dbraw/zinc/66/48/45/355664845.db2.gz WZZNFHVBQZEIET-GRYCIOLGSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CN(C)C(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000603435225 355716184 /nfs/dbraw/zinc/71/61/84/355716184.db2.gz WCBUYXUNQJTFHW-UWVGGRQHSA-N 1 3 271.361 -0.277 20 0 CBADHO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602875949 355679137 /nfs/dbraw/zinc/67/91/37/355679137.db2.gz CEYNMKQJMIHTHG-STQMWFEESA-N 1 3 274.361 -0.701 20 0 CBADHO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602875949 355679140 /nfs/dbraw/zinc/67/91/40/355679140.db2.gz CEYNMKQJMIHTHG-STQMWFEESA-N 1 3 274.361 -0.701 20 0 CBADHO C[C@@H](C(=O)NC(N)=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602875809 355679443 /nfs/dbraw/zinc/67/94/43/355679443.db2.gz APULOSVSEOICSQ-JTQLQIEISA-N 1 3 268.361 -0.013 20 0 CBADHO C[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000612887599 355855080 /nfs/dbraw/zinc/85/50/80/355855080.db2.gz QREZKGDAPIXEDN-HIFRSBDPSA-N 1 3 297.447 -0.079 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974508 355858544 /nfs/dbraw/zinc/85/85/44/355858544.db2.gz HRXPMVSACLVHCD-AAEUAGOBSA-N 1 3 284.404 -0.260 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612979883 355858635 /nfs/dbraw/zinc/85/86/35/355858635.db2.gz KGQPABIKCCKETF-LBPRGKRZSA-N 1 3 284.404 -0.258 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](CN)C1 ZINC000612994405 355860351 /nfs/dbraw/zinc/86/03/51/355860351.db2.gz SNHVVSIWCCPPOW-NWDGAFQWSA-N 1 3 281.404 -0.587 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614854794 355992570 /nfs/dbraw/zinc/99/25/70/355992570.db2.gz SJYICNHTJBHCSB-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614854794 355992572 /nfs/dbraw/zinc/99/25/72/355992572.db2.gz SJYICNHTJBHCSB-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CC1CN(C)C1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000618191897 356179365 /nfs/dbraw/zinc/17/93/65/356179365.db2.gz WMUJNWUOOIPJCM-ZDUSSCGKSA-N 1 3 266.389 -0.604 20 0 CBADHO CN(CC1CN(C)C1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000618191897 356179371 /nfs/dbraw/zinc/17/93/71/356179371.db2.gz WMUJNWUOOIPJCM-ZDUSSCGKSA-N 1 3 266.389 -0.604 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCNC(N)=O ZINC000617504211 356139140 /nfs/dbraw/zinc/13/91/40/356139140.db2.gz LAVDYWHELBEDIZ-NSHDSACASA-N 1 3 287.408 -0.567 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCNC(N)=O ZINC000617504211 356139142 /nfs/dbraw/zinc/13/91/42/356139142.db2.gz LAVDYWHELBEDIZ-NSHDSACASA-N 1 3 287.408 -0.567 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCNC(=O)C1 ZINC000617506516 356139716 /nfs/dbraw/zinc/13/97/16/356139716.db2.gz QGXAJPKBFYTNHQ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCNC(=O)C1 ZINC000617506516 356139717 /nfs/dbraw/zinc/13/97/17/356139717.db2.gz QGXAJPKBFYTNHQ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)CC(N)=O ZINC000617508231 356140889 /nfs/dbraw/zinc/14/08/89/356140889.db2.gz YUPYTECDWOIJJK-RYUDHWBXSA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)CC(N)=O ZINC000617508231 356140893 /nfs/dbraw/zinc/14/08/93/356140893.db2.gz YUPYTECDWOIJJK-RYUDHWBXSA-N 1 3 286.420 -0.114 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000619898075 356231245 /nfs/dbraw/zinc/23/12/45/356231245.db2.gz QFRSMCCAHRWQOY-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000619898075 356231247 /nfs/dbraw/zinc/23/12/47/356231247.db2.gz QFRSMCCAHRWQOY-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO CC(C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)S(C)(=O)=O ZINC000621694621 356281073 /nfs/dbraw/zinc/28/10/73/356281073.db2.gz JUZFDLUNKILLMR-KKZNHRDASA-N 1 3 260.359 -0.241 20 0 CBADHO CC(C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)S(C)(=O)=O ZINC000621694620 356281205 /nfs/dbraw/zinc/28/12/05/356281205.db2.gz JUZFDLUNKILLMR-FXPVBKGRSA-N 1 3 260.359 -0.241 20 0 CBADHO [NH3+][C@@]12CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C2 ZINC000621784309 356284397 /nfs/dbraw/zinc/28/43/97/356284397.db2.gz MTNPEGMWXYHPTC-TZMCWYRMSA-N 1 3 266.389 -0.379 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622025277 356300290 /nfs/dbraw/zinc/30/02/90/356300290.db2.gz NUSWKLGVTCTMLC-FZMZJTMJSA-N 1 3 282.388 -0.654 20 0 CBADHO CN(C)CC[N@H+](C)CCCNCc1cnnn1C ZINC000623088092 356354706 /nfs/dbraw/zinc/35/47/06/356354706.db2.gz WBLRYVGHWDRTFA-UHFFFAOYSA-N 1 3 254.382 -0.212 20 0 CBADHO CN(C)CC[N@@H+](C)CCCNCc1cnnn1C ZINC000623088092 356354708 /nfs/dbraw/zinc/35/47/08/356354708.db2.gz WBLRYVGHWDRTFA-UHFFFAOYSA-N 1 3 254.382 -0.212 20 0 CBADHO CN1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1(C)C ZINC000623379248 356363026 /nfs/dbraw/zinc/36/30/26/356363026.db2.gz FZRANHWLVRAUBH-JTQLQIEISA-N 1 3 263.407 -0.002 20 0 CBADHO C[NH+](C)[C@H](CNc1nc(N)nc(N)n1)c1ccc(F)cc1 ZINC000623877334 356380040 /nfs/dbraw/zinc/38/00/40/356380040.db2.gz YVRXCXFEBNPGKB-SNVBAGLBSA-N 1 3 291.334 -0.027 20 0 CBADHO C[C@H]1C[C@H](C)C[NH+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623864307 356380309 /nfs/dbraw/zinc/38/03/09/356380309.db2.gz LNQJOQWJZBPNNV-UWVGGRQHSA-N 1 3 279.392 -0.101 20 0 CBADHO C[C@H](CNc1nc(N)nc(N)n1)C[NH+]1CCCC1 ZINC000623875581 356380641 /nfs/dbraw/zinc/38/06/41/356380641.db2.gz OSLURQOCRKTHTF-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO CC[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623908437 356381271 /nfs/dbraw/zinc/38/12/71/356381271.db2.gz BHXLNPBRHGVJJI-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO CC[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623908437 356381274 /nfs/dbraw/zinc/38/12/74/356381274.db2.gz BHXLNPBRHGVJJI-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO C[C@@H](Nc1nc(N)nc(N)n1)C1CC[NH+](C)CC1 ZINC000623969906 356385023 /nfs/dbraw/zinc/38/50/23/356385023.db2.gz YHQSEUVPHPNFSK-SSDOTTSWSA-N 1 3 251.338 -0.739 20 0 CBADHO CC[N@@H+]1CC[C@@H](N(C)c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623991417 356387349 /nfs/dbraw/zinc/38/73/49/356387349.db2.gz HCAOEBNALRBSSK-RKDXNWHRSA-N 1 3 265.365 -0.137 20 0 CBADHO CC[N@H+]1CC[C@@H](N(C)c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623991417 356387354 /nfs/dbraw/zinc/38/73/54/356387354.db2.gz HCAOEBNALRBSSK-RKDXNWHRSA-N 1 3 265.365 -0.137 20 0 CBADHO CC[NH+](CC)CCO[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624014041 356389198 /nfs/dbraw/zinc/38/91/98/356389198.db2.gz PUPHLUYVZBDSCB-JTQLQIEISA-N 1 3 295.391 -0.366 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624032599 356390359 /nfs/dbraw/zinc/39/03/59/356390359.db2.gz RTAMIJAGJKMXOH-VIFPVBQESA-N 1 3 265.365 -0.492 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624032599 356390362 /nfs/dbraw/zinc/39/03/62/356390362.db2.gz RTAMIJAGJKMXOH-VIFPVBQESA-N 1 3 265.365 -0.492 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050130 356391715 /nfs/dbraw/zinc/39/17/15/356391715.db2.gz ZLKOPOHPACYNAT-IUCAKERBSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050130 356391718 /nfs/dbraw/zinc/39/17/18/356391718.db2.gz ZLKOPOHPACYNAT-IUCAKERBSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000624041341 356392179 /nfs/dbraw/zinc/39/21/79/356392179.db2.gz QVLGEOHPLKISNG-DTWKUNHWSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000624041341 356392182 /nfs/dbraw/zinc/39/21/82/356392182.db2.gz QVLGEOHPLKISNG-DTWKUNHWSA-N 1 3 263.349 -0.383 20 0 CBADHO CC[N@@H+]1C[C@@H](C)N(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624075549 356395182 /nfs/dbraw/zinc/39/51/82/356395182.db2.gz KVBNESSGOJIEIC-HTQZYQBOSA-N 1 3 251.338 -0.384 20 0 CBADHO CC[N@H+]1C[C@@H](C)N(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624075549 356395187 /nfs/dbraw/zinc/39/51/87/356395187.db2.gz KVBNESSGOJIEIC-HTQZYQBOSA-N 1 3 251.338 -0.384 20 0 CBADHO C[N@@H+]1CCC[C@H](CCNc2nc(N)nc(N)n2)C1 ZINC000624272899 356408779 /nfs/dbraw/zinc/40/87/79/356408779.db2.gz SICGEKRAJCYJKB-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO C[N@H+]1CCC[C@H](CCNc2nc(N)nc(N)n2)C1 ZINC000624272899 356408780 /nfs/dbraw/zinc/40/87/80/356408780.db2.gz SICGEKRAJCYJKB-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO C[NH2+]CCOCCNC(=O)Nc1ccnn1CCN(C)C ZINC000625891113 356496756 /nfs/dbraw/zinc/49/67/56/356496756.db2.gz KFCVVFPRJXSNQC-UHFFFAOYSA-N 1 3 298.391 -0.198 20 0 CBADHO CN1CCC[C@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626946334 356558793 /nfs/dbraw/zinc/55/87/93/356558793.db2.gz XDVRQEAABZBGAL-NSHDSACASA-N 1 3 258.366 -0.255 20 0 CBADHO [NH3+]CCCOCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000626978209 356562559 /nfs/dbraw/zinc/56/25/59/356562559.db2.gz AJJFYSCWYUWKHR-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626986339 356563285 /nfs/dbraw/zinc/56/32/85/356563285.db2.gz GCKQQEDUIWQFOG-ZIAGYGMSSA-N 1 3 297.447 -0.079 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000626982527 356563428 /nfs/dbraw/zinc/56/34/28/356563428.db2.gz KDODHRZXXWUNHT-GFCCVEGCSA-N 1 3 288.392 -0.758 20 0 CBADHO CCN(CC[NH3+])C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000626986776 356563682 /nfs/dbraw/zinc/56/36/82/356563682.db2.gz MSRMXNCMQXAHRF-ZDUSSCGKSA-N 1 3 285.436 -0.140 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNCCOC ZINC000627083065 356578264 /nfs/dbraw/zinc/57/82/64/356578264.db2.gz PNNICBJHJFMDTG-WDEREUQCSA-N 1 3 258.366 -0.338 20 0 CBADHO COCCNCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627083327 356578515 /nfs/dbraw/zinc/57/85/15/356578515.db2.gz QFWIXCRPZQVOHV-NSHDSACASA-N 1 3 270.377 -0.194 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103450 356583498 /nfs/dbraw/zinc/58/34/98/356583498.db2.gz SDFGPGQJYUCBEL-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000627102805 356583811 /nfs/dbraw/zinc/58/38/11/356583811.db2.gz UMJHHHIGZMQZJW-OUAUKWLOSA-N 1 3 256.350 -0.586 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000627116894 356585877 /nfs/dbraw/zinc/58/58/77/356585877.db2.gz AWSYZKJZYQZLES-VHSXEESVSA-N 1 3 294.359 -0.419 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[NH2+]1 ZINC000627118022 356586753 /nfs/dbraw/zinc/58/67/53/356586753.db2.gz NEOOQWTUMVURQR-BDAKNGLRSA-N 1 3 294.359 -0.419 20 0 CBADHO C[C@H]1CN(C(=O)NCCOCCC[NH3+])[C@@H](C)CN1 ZINC000627219093 356607980 /nfs/dbraw/zinc/60/79/80/356607980.db2.gz PHGCMXMEZDEJMU-QWRGUYRKSA-N 1 3 258.366 -0.256 20 0 CBADHO CN1CCC(O)(CNC(=O)NCCOCCC[NH3+])CC1 ZINC000627214538 356606569 /nfs/dbraw/zinc/60/65/69/356606569.db2.gz QQRBZDSBYPOFGT-UHFFFAOYSA-N 1 3 288.392 -0.892 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000627365186 356632760 /nfs/dbraw/zinc/63/27/60/356632760.db2.gz IEFJKCVIOKBNEQ-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C1CC1 ZINC000627372906 356635288 /nfs/dbraw/zinc/63/52/88/356635288.db2.gz ZUZXZMBYYKIXIR-IJLUTSLNSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1=CCN(C)CC1 ZINC000627377150 356635321 /nfs/dbraw/zinc/63/53/21/356635321.db2.gz ZZGOEMNPXCFVLI-GMXVVIOVSA-N 1 3 294.399 -0.380 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C1CC1 ZINC000627372905 356635339 /nfs/dbraw/zinc/63/53/39/356635339.db2.gz ZUZXZMBYYKIXIR-GRYCIOLGSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000627319388 356625601 /nfs/dbraw/zinc/62/56/01/356625601.db2.gz RHNLKGXZPBFDRD-GXSJLCMTSA-N 1 3 268.361 -0.937 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627321000 356625656 /nfs/dbraw/zinc/62/56/56/356625656.db2.gz ZXBQSPZFIBRNKA-YNEHKIRRSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627346260 356629946 /nfs/dbraw/zinc/62/99/46/356629946.db2.gz KJCWZUDQZOIOLI-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444300 356647871 /nfs/dbraw/zinc/64/78/71/356647871.db2.gz HHOKSJIQKNFXLK-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398679 356638899 /nfs/dbraw/zinc/63/88/99/356638899.db2.gz TWANVDXTVMUFGA-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398679 356638902 /nfs/dbraw/zinc/63/89/02/356638902.db2.gz TWANVDXTVMUFGA-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627504051 356660227 /nfs/dbraw/zinc/66/02/27/356660227.db2.gz RUUCOIJOHTVNJN-NEPJUHHUSA-N 1 3 282.388 -0.594 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506158 356661155 /nfs/dbraw/zinc/66/11/55/356661155.db2.gz BXDFIQMXMBUQNG-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)C[NH2+]1 ZINC000627484361 356655480 /nfs/dbraw/zinc/65/54/80/356655480.db2.gz WWSBLUBTRFYHRE-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000627502320 356659411 /nfs/dbraw/zinc/65/94/11/356659411.db2.gz RXDLVGDSVNYBSD-WUHRBBMRSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000627503461 356659868 /nfs/dbraw/zinc/65/98/68/356659868.db2.gz NPDIMFTUEFLBOR-QJPTWQEYSA-N 1 3 282.388 -0.594 20 0 CBADHO OCCN(CCO)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000628370320 356695649 /nfs/dbraw/zinc/69/56/49/356695649.db2.gz JEDXBWWOIZRHIB-CQSZACIVSA-N 1 3 272.389 -0.084 20 0 CBADHO CCS(=O)(=O)C[C@H](C)NCCOCCC[NH3+] ZINC000629538164 356777843 /nfs/dbraw/zinc/77/78/43/356777843.db2.gz MTBCMDHZVBSRET-JTQLQIEISA-N 1 3 252.380 -0.235 20 0 CBADHO NC(=O)C[C@@H]1CN([C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629545432 356778450 /nfs/dbraw/zinc/77/84/50/356778450.db2.gz MIDTZDUSIWXCFA-FDYHWXHSSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C1CCC(=O)N1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629561102 356779537 /nfs/dbraw/zinc/77/95/37/356779537.db2.gz PRUUFFHJTNBSLZ-GFCCVEGCSA-N 1 3 283.372 -0.428 20 0 CBADHO C[NH2+]CCOCCN(C)CCN1C(=O)NC(C)(C)C1=O ZINC000629571790 356780526 /nfs/dbraw/zinc/78/05/26/356780526.db2.gz QRCKSKUZWZOLFY-UHFFFAOYSA-N 1 3 286.376 -0.515 20 0 CBADHO CN1CCN(C(=O)CCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629566345 356780596 /nfs/dbraw/zinc/78/05/96/356780596.db2.gz YXCSVJSWLUWUII-CQSZACIVSA-N 1 3 298.431 -0.803 20 0 CBADHO CN1CCN(C(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629566345 356780600 /nfs/dbraw/zinc/78/06/00/356780600.db2.gz YXCSVJSWLUWUII-CQSZACIVSA-N 1 3 298.431 -0.803 20 0 CBADHO CCc1nncn1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629565434 356780877 /nfs/dbraw/zinc/78/08/77/356780877.db2.gz PHPAQYYPOVODLS-LBPRGKRZSA-N 1 3 267.377 -0.113 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCN1CCC[C@H]1C(N)=O ZINC000629515697 356775809 /nfs/dbraw/zinc/77/58/09/356775809.db2.gz UJOJDUJXWUVCEB-AVGNSLFASA-N 1 3 268.405 -0.086 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000629799491 356795175 /nfs/dbraw/zinc/79/51/75/356795175.db2.gz HNGBRIPIHSNFLM-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000629799491 356795179 /nfs/dbraw/zinc/79/51/79/356795179.db2.gz HNGBRIPIHSNFLM-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1[C@@H]2CC[C@H]1CN(CC)CC2 ZINC000629803602 356796326 /nfs/dbraw/zinc/79/63/26/356796326.db2.gz UMFJLDHOKQFIPI-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)O1 ZINC000629575229 356781826 /nfs/dbraw/zinc/78/18/26/356781826.db2.gz NYSHGOUDFKOHRE-MCIONIFRSA-N 1 3 299.415 -0.332 20 0 CBADHO O=C1CCC[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)N1 ZINC000629579434 356783075 /nfs/dbraw/zinc/78/30/75/356783075.db2.gz NHHVMZYKXJMGMB-VXGBXAGGSA-N 1 3 255.362 -0.299 20 0 CBADHO CCN(CCO)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629583443 356783731 /nfs/dbraw/zinc/78/37/31/356783731.db2.gz DJDJPOWDSBATOK-ZDUSSCGKSA-N 1 3 259.394 -0.653 20 0 CBADHO OCC[C@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583744 356783912 /nfs/dbraw/zinc/78/39/12/356783912.db2.gz DNUHQFDLDMDPHQ-ZIAGYGMSSA-N 1 3 272.389 -0.178 20 0 CBADHO OCCCN1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584413 356784125 /nfs/dbraw/zinc/78/41/25/356784125.db2.gz QJERRWPHOFJNQC-LSDHHAIUSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629584413 356784129 /nfs/dbraw/zinc/78/41/29/356784129.db2.gz QJERRWPHOFJNQC-LSDHHAIUSA-N 1 3 285.432 -0.121 20 0 CBADHO C[N@H+](C[C@H](O)CNCCN1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785913 /nfs/dbraw/zinc/78/59/13/356785913.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 1 3 257.378 -0.902 20 0 CBADHO C[N@@H+](C[C@H](O)CNCCN1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785917 /nfs/dbraw/zinc/78/59/17/356785917.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 1 3 257.378 -0.902 20 0 CBADHO CN(C[C@H](O)C[NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785919 /nfs/dbraw/zinc/78/59/19/356785919.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 1 3 257.378 -0.902 20 0 CBADHO CO[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630358395 356837383 /nfs/dbraw/zinc/83/73/83/356837383.db2.gz AOLDPTANYJDVHP-OBJOEFQTSA-N 1 3 285.388 -0.280 20 0 CBADHO CO[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)[C@](C)(C[NH3+])C1 ZINC000630365420 356838737 /nfs/dbraw/zinc/83/87/37/356838737.db2.gz HVRABPORTCOKDV-AVGNSLFASA-N 1 3 269.389 -0.055 20 0 CBADHO c1c([C@H]2CCC[NH2+]C2)nnn1C[C@H]1CNCCO1 ZINC000630616688 356856583 /nfs/dbraw/zinc/85/65/83/356856583.db2.gz MRFIXAIRZBWAGH-WDEREUQCSA-N 1 3 251.334 -0.267 20 0 CBADHO C[NH2+]CCOCCN(C)C[C@H]1CCc2ncnn21 ZINC000631830495 356909631 /nfs/dbraw/zinc/90/96/31/356909631.db2.gz UFKCYRSEXMASNB-LLVKDONJSA-N 1 3 253.350 -0.067 20 0 CBADHO [NH3+][C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631900978 356917873 /nfs/dbraw/zinc/91/78/73/356917873.db2.gz NUYDCWZJGXAFRP-LLVKDONJSA-N 1 3 261.391 -0.165 20 0 CBADHO O=S(=O)(CCCN1CCCC1)N[C@@H]1CC[NH2+]C1 ZINC000631901506 356918357 /nfs/dbraw/zinc/91/83/57/356918357.db2.gz FWQAHTMRJAPAEA-LLVKDONJSA-N 1 3 261.391 -0.246 20 0 CBADHO CN(C)CCCS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000631903504 356919328 /nfs/dbraw/zinc/91/93/28/356919328.db2.gz KYCIZNSFMUBDEL-NSHDSACASA-N 1 3 263.407 -0.143 20 0 CBADHO CN(C)CCCS(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000631903503 356919441 /nfs/dbraw/zinc/91/94/41/356919441.db2.gz KYCIZNSFMUBDEL-LLVKDONJSA-N 1 3 263.407 -0.143 20 0 CBADHO CC(C)[C@H]([NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631905939 356921118 /nfs/dbraw/zinc/92/11/18/356921118.db2.gz YRRZGTAYOJIFAK-SNVBAGLBSA-N 1 3 251.396 -0.159 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631932550 356926355 /nfs/dbraw/zinc/92/63/55/356926355.db2.gz WFAUHTPWQUXWIT-QWRGUYRKSA-N 1 3 263.407 -0.063 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000631934750 356927394 /nfs/dbraw/zinc/92/73/94/356927394.db2.gz JNKBKJFBAPTOOS-NSHDSACASA-N 1 3 263.407 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631938959 356928708 /nfs/dbraw/zinc/92/87/08/356928708.db2.gz PSYDGNQMSBOMLJ-RYUDHWBXSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000631939322 356928804 /nfs/dbraw/zinc/92/88/04/356928804.db2.gz XMPILOOGOPRGMC-NSHDSACASA-N 1 3 263.407 -0.063 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000631942171 356929827 /nfs/dbraw/zinc/92/98/27/356929827.db2.gz QWKHULUFFQCRIL-GHMZBOCLSA-N 1 3 263.407 -0.015 20 0 CBADHO CN(C)CCCS(=O)(=O)NC(C)(C)CC[NH3+] ZINC000631945974 356931314 /nfs/dbraw/zinc/93/13/14/356931314.db2.gz OMHAJTVHKSKFQR-UHFFFAOYSA-N 1 3 251.396 -0.015 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631946975 356931512 /nfs/dbraw/zinc/93/15/12/356931512.db2.gz PRYLMOGLUIPSMZ-ZJUUUORDSA-N 1 3 251.396 -0.017 20 0 CBADHO C[NH2+]C[C@@H](C)NS(=O)(=O)CCCN1CCCC1 ZINC000631952618 356933220 /nfs/dbraw/zinc/93/32/20/356933220.db2.gz NXZZTLJSANDHQC-LLVKDONJSA-N 1 3 263.407 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000631954316 356934321 /nfs/dbraw/zinc/93/43/21/356934321.db2.gz HYTSWGZMSOIJIM-UHFFFAOYSA-N 1 3 279.406 -0.635 20 0 CBADHO C[C@H]1CC[C@H](NS(=O)(=O)CCCN(C)C)C[NH2+]1 ZINC000631955243 356935122 /nfs/dbraw/zinc/93/51/22/356935122.db2.gz GYPMEDPZUPGPDH-QWRGUYRKSA-N 1 3 263.407 -0.002 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633107371 357047094 /nfs/dbraw/zinc/04/70/94/357047094.db2.gz PTPVMSPJROTZRH-SRVKXCTJSA-N 1 3 280.372 -0.888 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000633117207 357050157 /nfs/dbraw/zinc/05/01/57/357050157.db2.gz AWHNWZOSWYDVAO-QWRGUYRKSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000633117997 357050182 /nfs/dbraw/zinc/05/01/82/357050182.db2.gz HEBFYGFMVRZXEQ-NOOOWODRSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000633120855 357050746 /nfs/dbraw/zinc/05/07/46/357050746.db2.gz VEWCJGAKHFHNBP-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C)[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1O ZINC000633151578 357053564 /nfs/dbraw/zinc/05/35/64/357053564.db2.gz TVHICZYIYRPHGU-STQMWFEESA-N 1 3 295.387 -0.808 20 0 CBADHO COC1(C(=O)N2C[C@H](C)NC[C@H]2C)CC[NH2+]CC1 ZINC000634275977 357114683 /nfs/dbraw/zinc/11/46/83/357114683.db2.gz RMBIGZFGTFVGST-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)S(C)(=O)=O ZINC000634747872 357132581 /nfs/dbraw/zinc/13/25/81/357132581.db2.gz DCELGTQDUBQBDT-JLLWLGSASA-N 1 3 274.386 -0.123 20 0 CBADHO CNS(=O)(=O)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635005880 357142892 /nfs/dbraw/zinc/14/28/92/357142892.db2.gz KXKGGGPSUIYMRX-ZACCUICWSA-N 1 3 261.391 -0.202 20 0 CBADHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1)C1CC1 ZINC000634718839 357129433 /nfs/dbraw/zinc/12/94/33/357129433.db2.gz JZKVKZXJAWMHIE-ILXRZTDVSA-N 1 3 286.416 -0.055 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635801561 357209948 /nfs/dbraw/zinc/20/99/48/357209948.db2.gz KEYAPKNKDJYWDZ-CYBMUJFWSA-N 1 3 255.362 -0.489 20 0 CBADHO CCN(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635809480 357210930 /nfs/dbraw/zinc/21/09/30/357210930.db2.gz ISKZSPIZYATLKN-UHFFFAOYSA-N 1 3 257.378 -0.241 20 0 CBADHO C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)N(C)C ZINC000635934372 357236116 /nfs/dbraw/zinc/23/61/16/357236116.db2.gz PLJPIXGZSXXHAL-GFCCVEGCSA-N 1 3 258.410 -0.064 20 0 CBADHO C[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N(C)C ZINC000635934372 357236119 /nfs/dbraw/zinc/23/61/19/357236119.db2.gz PLJPIXGZSXXHAL-GFCCVEGCSA-N 1 3 258.410 -0.064 20 0 CBADHO C[C@H](C(=O)NCCCN(C)CC[NH+](C)C)N(C)C ZINC000635934372 357236123 /nfs/dbraw/zinc/23/61/23/357236123.db2.gz PLJPIXGZSXXHAL-GFCCVEGCSA-N 1 3 258.410 -0.064 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636791359 357303756 /nfs/dbraw/zinc/30/37/56/357303756.db2.gz VUDAUNYHKSBUSX-AAEUAGOBSA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636791359 357303758 /nfs/dbraw/zinc/30/37/58/357303758.db2.gz VUDAUNYHKSBUSX-AAEUAGOBSA-N 1 3 282.388 -0.411 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)c1cnn(CCN(C)C)c1 ZINC000637825682 357371449 /nfs/dbraw/zinc/37/14/49/357371449.db2.gz YXRBHNSIXMKJNG-JTQLQIEISA-N 1 3 253.350 -0.088 20 0 CBADHO COC[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCCCN1 ZINC000637822903 357371476 /nfs/dbraw/zinc/37/14/76/357371476.db2.gz OCKITUUFQMBBSW-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000637832536 357372267 /nfs/dbraw/zinc/37/22/67/357372267.db2.gz IJIZBYMEFMIMFD-YNEHKIRRSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCOCCN(C)CCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637837113 357373788 /nfs/dbraw/zinc/37/37/88/357373788.db2.gz CGHHRWWQPSTKIL-ZDUSSCGKSA-N 1 3 287.404 -0.208 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000637835061 357373959 /nfs/dbraw/zinc/37/39/59/357373959.db2.gz JPCJVVWYSCISDQ-UONOGXRCSA-N 1 3 296.415 -0.787 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000637840978 357374858 /nfs/dbraw/zinc/37/48/58/357374858.db2.gz QMXSDGPECLPJNH-NOHGZBONSA-N 1 3 255.362 -0.038 20 0 CBADHO CN(C(=O)[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000637837329 357374921 /nfs/dbraw/zinc/37/49/21/357374921.db2.gz DIBHPZLUNYKSQP-WOPDTQHZSA-N 1 3 253.346 -0.330 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637847064 357376036 /nfs/dbraw/zinc/37/60/36/357376036.db2.gz FZXGOVSJXBFRNN-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637847062 357376190 /nfs/dbraw/zinc/37/61/90/357376190.db2.gz FZXGOVSJXBFRNN-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH3+] ZINC000637801604 357366803 /nfs/dbraw/zinc/36/68/03/357366803.db2.gz HUGPPDFRSXAEJD-ZDUSSCGKSA-N 1 3 264.373 -0.089 20 0 CBADHO COCCOCC[N@H+](C)CCC(=O)N1CCCNCC1 ZINC000637804070 357366859 /nfs/dbraw/zinc/36/68/59/357366859.db2.gz UMGIWIAIAPNKHC-UHFFFAOYSA-N 1 3 287.404 -0.207 20 0 CBADHO COCCOCC[N@@H+](C)CCC(=O)N1CCCNCC1 ZINC000637804070 357366862 /nfs/dbraw/zinc/36/68/62/357366862.db2.gz UMGIWIAIAPNKHC-UHFFFAOYSA-N 1 3 287.404 -0.207 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637804941 357366920 /nfs/dbraw/zinc/36/69/20/357366920.db2.gz UKECHWKWHGJFDS-GMXVVIOVSA-N 1 3 279.340 -0.073 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)[C@@]2(COC)CCCCN2)C1 ZINC000637802525 357367071 /nfs/dbraw/zinc/36/70/71/357367071.db2.gz SEXQKXSAUFRLJB-AAEUAGOBSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000637811370 357368922 /nfs/dbraw/zinc/36/89/22/357368922.db2.gz KETVKSGJFJKMIF-NSHDSACASA-N 1 3 251.334 -0.464 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235497 357440915 /nfs/dbraw/zinc/44/09/15/357440915.db2.gz WSFHZYJCPKUBQB-AWEZNQCLSA-N 1 3 266.389 -0.506 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248416 357444205 /nfs/dbraw/zinc/44/42/05/357444205.db2.gz SHMZKCXWUHJNGN-NWDGAFQWSA-N 1 3 252.362 -0.898 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638236952 357441524 /nfs/dbraw/zinc/44/15/24/357441524.db2.gz MLJKWYKRVXYRAE-STQMWFEESA-N 1 3 287.404 -0.081 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCC(O)CC2)C1 ZINC000638069932 357409427 /nfs/dbraw/zinc/40/94/27/357409427.db2.gz NQAPPOGIBBNRBX-ZFWWWQNUSA-N 1 3 299.415 -0.284 20 0 CBADHO [NH3+]C[C@]1(C(=O)NCCCN2CCC(O)CC2)CCCOC1 ZINC000638070211 357410202 /nfs/dbraw/zinc/41/02/02/357410202.db2.gz PDCLIERZIDAXBS-OAHLLOKOSA-N 1 3 299.415 -0.295 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638075343 357410483 /nfs/dbraw/zinc/41/04/83/357410483.db2.gz DZVQYMCNSKBVST-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638075062 357410998 /nfs/dbraw/zinc/41/09/98/357410998.db2.gz PXNIGZKOAXXJLP-KKOKHZNYSA-N 1 3 253.346 -0.154 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638075062 357411002 /nfs/dbraw/zinc/41/10/02/357411002.db2.gz PXNIGZKOAXXJLP-KKOKHZNYSA-N 1 3 253.346 -0.154 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)C[NH+]1CCCC1 ZINC000638074624 357411176 /nfs/dbraw/zinc/41/11/76/357411176.db2.gz NIKKQPXZHZUBEY-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CCC(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638078159 357412398 /nfs/dbraw/zinc/41/23/98/357412398.db2.gz DVIORVTYXGBYBQ-ZFWWWQNUSA-N 1 3 299.415 -0.020 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCN(C)C2CC2)C1 ZINC000638081634 357412632 /nfs/dbraw/zinc/41/26/32/357412632.db2.gz BAKIKJAWVDGFBC-WCQYABFASA-N 1 3 255.362 -0.036 20 0 CBADHO COCCN(C)CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638090924 357414467 /nfs/dbraw/zinc/41/44/67/357414467.db2.gz IWSNMZIWECFPPD-DGCLKSJQSA-N 1 3 273.377 -0.552 20 0 CBADHO CC[NH2+][C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638098185 357415890 /nfs/dbraw/zinc/41/58/90/357415890.db2.gz KJJUCSPVUWJTAL-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN2CCNCC2)C1 ZINC000638112853 357421015 /nfs/dbraw/zinc/42/10/15/357421015.db2.gz VWBWPHWSOAVWTQ-AWEZNQCLSA-N 1 3 282.432 -0.014 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CN2CCNCC2)C1 ZINC000638112853 357421016 /nfs/dbraw/zinc/42/10/16/357421016.db2.gz VWBWPHWSOAVWTQ-AWEZNQCLSA-N 1 3 282.432 -0.014 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638121670 357421363 /nfs/dbraw/zinc/42/13/63/357421363.db2.gz HTMQVSAQRRQJOM-JSGCOSHPSA-N 1 3 287.404 -0.162 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CCN1C ZINC000638124313 357421823 /nfs/dbraw/zinc/42/18/23/357421823.db2.gz SKXFZUJCGTWOOW-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638124635 357421982 /nfs/dbraw/zinc/42/19/82/357421982.db2.gz BOGJFTVXTYIWGV-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638129504 357422745 /nfs/dbraw/zinc/42/27/45/357422745.db2.gz AIBJXURHHYGWKQ-SDDRHHMPSA-N 1 3 273.377 -0.424 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1C1CC1 ZINC000638132248 357422860 /nfs/dbraw/zinc/42/28/60/357422860.db2.gz FXJJJCRNRYZQBD-BSJXLVFVSA-N 1 3 253.346 -0.156 20 0 CBADHO C[C@H](NC(=O)CN1CCNCC1)C(C)(C)C[NH+](C)C ZINC000638126426 357422992 /nfs/dbraw/zinc/42/29/92/357422992.db2.gz MSTZCUJRVZKODC-LBPRGKRZSA-N 1 3 270.421 -0.016 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638137787 357423573 /nfs/dbraw/zinc/42/35/73/357423573.db2.gz NMIMBRACLBGVRZ-ZFWWWQNUSA-N 1 3 298.431 -0.493 20 0 CBADHO CCN1CCN(CCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638138015 357423718 /nfs/dbraw/zinc/42/37/18/357423718.db2.gz SYAWTJXAMNBLQL-CYBMUJFWSA-N 1 3 266.389 -0.212 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638132937 357423958 /nfs/dbraw/zinc/42/39/58/357423958.db2.gz XVMGHGPUQXRJNK-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638132937 357423963 /nfs/dbraw/zinc/42/39/63/357423963.db2.gz XVMGHGPUQXRJNK-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO CC[NH+]1CCN(CCNC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638136804 357424343 /nfs/dbraw/zinc/42/43/43/357424343.db2.gz BIOPHXCIWSNQNH-CQSZACIVSA-N 1 3 284.404 -0.881 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCN(C)CC2)C1 ZINC000638137258 357424463 /nfs/dbraw/zinc/42/44/63/357424463.db2.gz SKYPZQKZDWDHPJ-UKRRQHHQSA-N 1 3 298.431 -0.493 20 0 CBADHO CC[NH+]1CCN(CCNC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638136802 357424506 /nfs/dbraw/zinc/42/45/06/357424506.db2.gz BIOPHXCIWSNQNH-AWEZNQCLSA-N 1 3 284.404 -0.881 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638141432 357425058 /nfs/dbraw/zinc/42/50/58/357425058.db2.gz UKCFQNLKAZEZFE-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000638138136 357425337 /nfs/dbraw/zinc/42/53/37/357425337.db2.gz WFLIMUFVEOLLJY-STQMWFEESA-N 1 3 270.421 -0.016 20 0 CBADHO [NH3+][C@H]1CCc2ncc(NC(=O)CN3CCNCC3)cc2C1 ZINC000638151829 357426622 /nfs/dbraw/zinc/42/66/22/357426622.db2.gz BHLBYIIRPKQKJB-LBPRGKRZSA-N 1 3 289.383 -0.259 20 0 CBADHO [NH3+][C@H](CNC(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000638154820 357427232 /nfs/dbraw/zinc/42/72/32/357427232.db2.gz RHSWJNNTIWQZTI-TUAOUCFPSA-N 1 3 253.346 -0.297 20 0 CBADHO [NH3+][C@H](CNC(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000638154818 357427512 /nfs/dbraw/zinc/42/75/12/357427512.db2.gz RHSWJNNTIWQZTI-IJLUTSLNSA-N 1 3 253.346 -0.297 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNCC3)C[C@H]21 ZINC000638164981 357429069 /nfs/dbraw/zinc/42/90/69/357429069.db2.gz LBSAHBXVWJRKOP-JHJVBQTASA-N 1 3 266.389 -0.523 20 0 CBADHO COC[C@@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCCCN1 ZINC000638164024 357429416 /nfs/dbraw/zinc/42/94/16/357429416.db2.gz FYHKUOBALNBVQO-WCQYABFASA-N 1 3 255.362 -0.129 20 0 CBADHO COC[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCCN1 ZINC000638173122 357431384 /nfs/dbraw/zinc/43/13/84/357431384.db2.gz SYIHSGCIYQZEPL-YPMHNXCESA-N 1 3 271.361 -0.669 20 0 CBADHO O=C(CN1CCNCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638202674 357433763 /nfs/dbraw/zinc/43/37/63/357433763.db2.gz VXIRZVNYHBPMNQ-UHFFFAOYSA-N 1 3 280.416 -0.116 20 0 CBADHO [NH3+]C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCCOC1 ZINC000638248280 357443705 /nfs/dbraw/zinc/44/37/05/357443705.db2.gz NTMRDUSRVRCCCX-NHCYSSNCSA-N 1 3 259.325 -0.442 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CN)C1 ZINC000637866349 357379492 /nfs/dbraw/zinc/37/94/92/357379492.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 1 3 254.378 -0.571 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CN)C1 ZINC000637866349 357379493 /nfs/dbraw/zinc/37/94/93/357379493.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 1 3 254.378 -0.571 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnn(CCN(C)C)c2)CCO1 ZINC000637865461 357379512 /nfs/dbraw/zinc/37/95/12/357379512.db2.gz FNTXYYGJOBIDRO-DGCLKSJQSA-N 1 3 295.387 -0.367 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000638579165 357497856 /nfs/dbraw/zinc/49/78/56/357497856.db2.gz MWAJCBCDMBAVCL-VIFPVBQESA-N 1 3 265.304 -0.417 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)CNC[C@H]1CCCO1 ZINC000638586509 357498608 /nfs/dbraw/zinc/49/86/08/357498608.db2.gz RSSYYRKFPPJRQG-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000638585155 357498960 /nfs/dbraw/zinc/49/89/60/357498960.db2.gz UMVWDPWEJOWXDO-CYBMUJFWSA-N 1 3 265.357 -0.091 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C(N)C(F)(F)F ZINC000638591036 357499421 /nfs/dbraw/zinc/49/94/21/357499421.db2.gz AIUCNZIZZUGDEZ-ZETCQYMHSA-N 1 3 257.256 -0.430 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCCN1 ZINC000638249347 357444559 /nfs/dbraw/zinc/44/45/59/357444559.db2.gz XDUGQCADVARTSY-GVXVVHGQSA-N 1 3 273.352 -0.039 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cn1 ZINC000638267911 357445726 /nfs/dbraw/zinc/44/57/26/357445726.db2.gz WHKYZDXZLLPUEX-ZDUSSCGKSA-N 1 3 295.387 -0.447 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)[C@H]2C1 ZINC000638312406 357454799 /nfs/dbraw/zinc/45/47/99/357454799.db2.gz FTHAMKOWSCOHSN-OLZOCXBDSA-N 1 3 266.389 -0.556 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)C12CCC[NH+](CCC1)C2 ZINC000638337374 357459094 /nfs/dbraw/zinc/45/90/94/357459094.db2.gz FIHITHUMYZWFSA-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CNCCO2)cn1 ZINC000638338361 357460581 /nfs/dbraw/zinc/46/05/81/357460581.db2.gz WOUNHFCJRYSAFW-LBPRGKRZSA-N 1 3 281.360 -0.837 20 0 CBADHO O=C(CN1CCNCC1)NCCC1CC[NH2+]CC1 ZINC000638393126 357466711 /nfs/dbraw/zinc/46/67/11/357466711.db2.gz AKFAHUOWENQAPE-UHFFFAOYSA-N 1 3 254.378 -0.603 20 0 CBADHO C[C@@H]1CCCN(C(=O)CN2CCNCC2)[C@@H]1CC[NH3+] ZINC000638391622 357467220 /nfs/dbraw/zinc/46/72/20/357467220.db2.gz XHVZJAMNHMOGGL-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638432839 357475226 /nfs/dbraw/zinc/47/52/26/357475226.db2.gz NKMDRBJISUBNJA-RWMBFGLXSA-N 1 3 285.388 -0.328 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCOC3(CNC3)C2)CC[N@@H+]1C ZINC000638439956 357477281 /nfs/dbraw/zinc/47/72/81/357477281.db2.gz LJAYHVOEYTUARS-NWDGAFQWSA-N 1 3 267.373 -0.083 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCOC3(CNC3)C2)CC[N@H+]1C ZINC000638439956 357477284 /nfs/dbraw/zinc/47/72/84/357477284.db2.gz LJAYHVOEYTUARS-NWDGAFQWSA-N 1 3 267.373 -0.083 20 0 CBADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CN1CCNCC1)C2 ZINC000638442314 357477510 /nfs/dbraw/zinc/47/75/10/357477510.db2.gz RQZKSKMWHQUBOV-DGCLKSJQSA-N 1 3 252.362 -0.769 20 0 CBADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638492373 357484027 /nfs/dbraw/zinc/48/40/27/357484027.db2.gz OREPZTPZYNXJSM-NEPJUHHUSA-N 1 3 256.394 -0.278 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497706 357487465 /nfs/dbraw/zinc/48/74/65/357487465.db2.gz HJGIWWMJQILQSE-WDEREUQCSA-N 1 3 253.346 -0.234 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497705 357487537 /nfs/dbraw/zinc/48/75/37/357487537.db2.gz HJGIWWMJQILQSE-QWRGUYRKSA-N 1 3 253.346 -0.234 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510652 357492020 /nfs/dbraw/zinc/49/20/20/357492020.db2.gz KHDDZPAOCRVSCV-RYUDHWBXSA-N 1 3 294.399 -0.273 20 0 CBADHO CN1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000638728449 357526390 /nfs/dbraw/zinc/52/63/90/357526390.db2.gz RURIJHQXRYVKKB-JTQLQIEISA-N 1 3 266.349 -0.549 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000638775281 357528284 /nfs/dbraw/zinc/52/82/84/357528284.db2.gz ACMLXNYLIKZYFK-QJPTWQEYSA-N 1 3 282.388 -0.737 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801805 357531849 /nfs/dbraw/zinc/53/18/49/357531849.db2.gz LPCZAFWPOFAKNT-GIPNMCIBSA-N 1 3 255.362 -0.003 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000638905092 357541855 /nfs/dbraw/zinc/54/18/55/357541855.db2.gz AKSFFADJKMBQNS-RTXFEEFZSA-N 1 3 292.387 -0.102 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917851 357543487 /nfs/dbraw/zinc/54/34/87/357543487.db2.gz JILATKJAAYLYBT-STQMWFEESA-N 1 3 285.388 -0.456 20 0 CBADHO COC[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCCN1 ZINC000638919092 357544424 /nfs/dbraw/zinc/54/44/24/357544424.db2.gz XXGITWDNAHEMPU-GVXVVHGQSA-N 1 3 253.346 -0.282 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000638934290 357546238 /nfs/dbraw/zinc/54/62/38/357546238.db2.gz GMBRUKDSDXTGGC-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028239 357554998 /nfs/dbraw/zinc/55/49/98/357554998.db2.gz XQOGDUZFFDFUPO-JHJVBQTASA-N 1 3 267.373 -0.035 20 0 CBADHO C[N@@H+]1CC[C@](O)(CNCC(C)(C)N2CCOCC2)C1 ZINC000639049274 357555771 /nfs/dbraw/zinc/55/57/71/357555771.db2.gz MNVDOQSWJPTVOU-AWEZNQCLSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@H+]1CC[C@](O)(CNCC(C)(C)N2CCOCC2)C1 ZINC000639049274 357555772 /nfs/dbraw/zinc/55/57/72/357555772.db2.gz MNVDOQSWJPTVOU-AWEZNQCLSA-N 1 3 271.405 -0.247 20 0 CBADHO COCCN(C)C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641224897 357682455 /nfs/dbraw/zinc/68/24/55/357682455.db2.gz YVBRZOVLABKRKX-OCCSQVGLSA-N 1 3 297.403 -0.631 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000641423398 357703699 /nfs/dbraw/zinc/70/36/99/357703699.db2.gz AJYADMHPSUFADF-GFCCVEGCSA-N 1 3 299.419 -0.375 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000642329787 357753394 /nfs/dbraw/zinc/75/33/94/357753394.db2.gz SHGGZVWCAMBYCW-WOPDTQHZSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH2+]C ZINC000642439309 357754529 /nfs/dbraw/zinc/75/45/29/357754529.db2.gz AYGHPFVADFQTLT-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000642439769 357755232 /nfs/dbraw/zinc/75/52/32/357755232.db2.gz OQWXXIDJQHDBEX-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000642439533 357755331 /nfs/dbraw/zinc/75/53/31/357755331.db2.gz KYPIPZUOVIINMT-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[NH2+]C ZINC000642439735 357755740 /nfs/dbraw/zinc/75/57/40/357755740.db2.gz OBMQVRZSHAMQIX-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642439404 357755766 /nfs/dbraw/zinc/75/57/66/357755766.db2.gz FTKWEIPOKSRMRO-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCNCC2)CCC1 ZINC000642698710 357759136 /nfs/dbraw/zinc/75/91/36/357759136.db2.gz IFFLPCNTQHHSHL-UHFFFAOYSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000642731742 357760547 /nfs/dbraw/zinc/76/05/47/357760547.db2.gz ZAHJMOWGJRDGJX-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642786018 357762660 /nfs/dbraw/zinc/76/26/60/357762660.db2.gz XFOIRNLKUPPLSV-STQMWFEESA-N 1 3 294.399 -0.593 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642801228 357763970 /nfs/dbraw/zinc/76/39/70/357763970.db2.gz JSJLWUZBBIMBIO-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905077 357766616 /nfs/dbraw/zinc/76/66/16/357766616.db2.gz FSMWEGUPZAVLRS-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642909258 357767562 /nfs/dbraw/zinc/76/75/62/357767562.db2.gz JJNZGWQGQDQQFB-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000642909331 357767740 /nfs/dbraw/zinc/76/77/40/357767740.db2.gz KTRWIBOKFGAIFZ-SRVKXCTJSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642909221 357767884 /nfs/dbraw/zinc/76/78/84/357767884.db2.gz IMMDOORIXYAJBT-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642910556 357768194 /nfs/dbraw/zinc/76/81/94/357768194.db2.gz ISMDTXDMBIAAMZ-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642910502 357768358 /nfs/dbraw/zinc/76/83/58/357768358.db2.gz HPSRGBCDOGEFAX-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH3+])CC2 ZINC000642911241 357768388 /nfs/dbraw/zinc/76/83/88/357768388.db2.gz ZLSVLJJCEXTXOO-XQQFMLRXSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642910557 357769000 /nfs/dbraw/zinc/76/90/00/357769000.db2.gz ISMDTXDMBIAAMZ-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642948198 357772444 /nfs/dbraw/zinc/77/24/44/357772444.db2.gz NVHKJKCFRWOQIY-FRRDWIJNSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000642954376 357772586 /nfs/dbraw/zinc/77/25/86/357772586.db2.gz QKPVTWXQODNVND-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO C[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@H]2CCC[C@H]21 ZINC000643500300 357785802 /nfs/dbraw/zinc/78/58/02/357785802.db2.gz ABLSHPYCSJADGW-HZSPNIEDSA-N 1 3 280.416 -0.119 20 0 CBADHO C[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@H]2CCC[C@H]21 ZINC000643500300 357785805 /nfs/dbraw/zinc/78/58/05/357785805.db2.gz ABLSHPYCSJADGW-HZSPNIEDSA-N 1 3 280.416 -0.119 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000643581021 357789626 /nfs/dbraw/zinc/78/96/26/357789626.db2.gz UYXJUSJDFYPWJG-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1C1CC1 ZINC000365103056 291141253 /nfs/dbraw/zinc/14/12/53/291141253.db2.gz AKAPOVFZMYPARN-GAIPPQHRSA-N 1 3 253.346 -0.549 20 0 CBADHO C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]1 ZINC000370093027 291144751 /nfs/dbraw/zinc/14/47/51/291144751.db2.gz HOLUFFMEUJQSGB-DTWKUNHWSA-N 1 3 263.345 -0.074 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419847748 283515045 /nfs/dbraw/zinc/51/50/45/283515045.db2.gz SEJNFHLDOPFSDE-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](CC(N)=O)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000341907357 216147862 /nfs/dbraw/zinc/14/78/62/216147862.db2.gz ZNWYEXNTILNMOF-LLVKDONJSA-N 1 3 256.394 -0.134 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000574098001 334992228 /nfs/dbraw/zinc/99/22/28/334992228.db2.gz GXQUJQWZPDUELM-RYUDHWBXSA-N 1 3 267.373 -0.252 20 0 CBADHO C[C@]1(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]C1 ZINC000514949306 291380419 /nfs/dbraw/zinc/38/04/19/291380419.db2.gz DKQTYRGGPKOFKQ-GVXVVHGQSA-N 1 3 252.362 -0.770 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000343863176 216954605 /nfs/dbraw/zinc/95/46/05/216954605.db2.gz OTINSDMVTGDCSK-NXEZZACHSA-N 1 3 257.334 -0.571 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331665400 204055859 /nfs/dbraw/zinc/05/58/59/204055859.db2.gz QXAFOYUHQWYAPQ-AGIUHOORSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331665403 204057378 /nfs/dbraw/zinc/05/73/78/204057378.db2.gz QXAFOYUHQWYAPQ-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C)[C@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCSC1 ZINC000333139148 205064317 /nfs/dbraw/zinc/06/43/17/205064317.db2.gz CUAMPFKZFADXNQ-WGBDABJCSA-N 1 3 284.429 -0.059 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000125143947 372794645 /nfs/dbraw/zinc/79/46/45/372794645.db2.gz KWJGGHHKIDWDNK-CYBMUJFWSA-N 1 3 290.408 -0.824 20 0 CBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)CN(C)C)CC1 ZINC000163100756 372823518 /nfs/dbraw/zinc/82/35/18/372823518.db2.gz WAMLAAMEQOPRDR-CYBMUJFWSA-N 1 3 270.421 -0.062 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353432989 220081299 /nfs/dbraw/zinc/08/12/99/220081299.db2.gz SRQAJFZNAHACQM-ONGXEEELSA-N 1 3 261.391 -0.486 20 0 CBADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000173894910 284347455 /nfs/dbraw/zinc/34/74/55/284347455.db2.gz CQTKNXDNIGMCPN-JTQLQIEISA-N 1 3 256.350 -0.155 20 0 CBADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000173894910 284347456 /nfs/dbraw/zinc/34/74/56/284347456.db2.gz CQTKNXDNIGMCPN-JTQLQIEISA-N 1 3 256.350 -0.155 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C(N)C(F)(F)F ZINC000353438211 220082799 /nfs/dbraw/zinc/08/27/99/220082799.db2.gz ZIAPPMZNJXMHLE-QMMMGPOBSA-N 1 3 271.283 -0.040 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C(N)C(F)(F)F ZINC000353438211 220082801 /nfs/dbraw/zinc/08/28/01/220082801.db2.gz ZIAPPMZNJXMHLE-QMMMGPOBSA-N 1 3 271.283 -0.040 20 0 CBADHO NC(C(=O)NCCC[NH+]1CCC(O)CC1)C(F)(F)F ZINC000353451157 220090935 /nfs/dbraw/zinc/09/09/35/220090935.db2.gz PRIHXRPIJHTYTC-VIFPVBQESA-N 1 3 283.294 -0.161 20 0 CBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188763934 372853217 /nfs/dbraw/zinc/85/32/17/372853217.db2.gz JXLWRTBSTHCFGE-SNVBAGLBSA-N 1 3 275.356 -0.024 20 0 CBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000188763934 372853220 /nfs/dbraw/zinc/85/32/20/372853220.db2.gz JXLWRTBSTHCFGE-SNVBAGLBSA-N 1 3 275.356 -0.024 20 0 CBADHO CO[C@@H](CN)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000353464765 220097442 /nfs/dbraw/zinc/09/74/42/220097442.db2.gz YTSSCYSRSIJXKH-LBPRGKRZSA-N 1 3 272.393 -0.898 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CNCCO2)CC[N@@H+]1C ZINC000252200862 372897010 /nfs/dbraw/zinc/89/70/10/372897010.db2.gz WGXFCODOPYFEJK-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CNCCO2)CC[N@H+]1C ZINC000252200862 372897019 /nfs/dbraw/zinc/89/70/19/372897019.db2.gz WGXFCODOPYFEJK-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332082505 373002582 /nfs/dbraw/zinc/00/25/82/373002582.db2.gz BABVXQONUWTHLU-AVGNSLFASA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000346648994 373068525 /nfs/dbraw/zinc/06/85/25/373068525.db2.gz GIBSPJTZIBINHW-UWVGGRQHSA-N 1 3 266.345 -0.747 20 0 CBADHO CC(C)C[C@@H](CN(C)C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516671 373097938 /nfs/dbraw/zinc/09/79/38/373097938.db2.gz HEECTOOWBOEZDJ-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000352778432 373108557 /nfs/dbraw/zinc/10/85/57/373108557.db2.gz KTVGPYCQXNCUON-LLVKDONJSA-N 1 3 260.382 -0.186 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@H]1COC[C@H]1O ZINC000361328321 373278417 /nfs/dbraw/zinc/27/84/17/373278417.db2.gz KGKZKXPJBWXRRD-UONOGXRCSA-N 1 3 271.405 -0.296 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)CCC[NH3+])CC2)C1 ZINC000361710077 373327033 /nfs/dbraw/zinc/32/70/33/373327033.db2.gz CNVAYUUYAUQHLS-ZDUSSCGKSA-N 1 3 268.405 -0.036 20 0 CBADHO CC(C)[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599586 220182895 /nfs/dbraw/zinc/18/28/95/220182895.db2.gz TZEMAHHVMPEYAQ-RYUDHWBXSA-N 1 3 284.404 -0.327 20 0 CBADHO CC(C)[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353599586 220182898 /nfs/dbraw/zinc/18/28/98/220182898.db2.gz TZEMAHHVMPEYAQ-RYUDHWBXSA-N 1 3 284.404 -0.327 20 0 CBADHO CCC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600690 220183236 /nfs/dbraw/zinc/18/32/36/220183236.db2.gz XNXIUCFRTHEVBV-NEPJUHHUSA-N 1 3 284.404 -0.183 20 0 CBADHO CCC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600690 220183239 /nfs/dbraw/zinc/18/32/39/220183239.db2.gz XNXIUCFRTHEVBV-NEPJUHHUSA-N 1 3 284.404 -0.183 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000363738904 373506951 /nfs/dbraw/zinc/50/69/51/373506951.db2.gz IICOHXHVJMQKJX-AAEUAGOBSA-N 1 3 255.362 -0.320 20 0 CBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333671 373522967 /nfs/dbraw/zinc/52/29/67/373522967.db2.gz YQOCELAMSDVQCB-WHOHXGKFSA-N 1 3 253.346 -0.596 20 0 CBADHO CN(CC(=O)NC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367620303 373538173 /nfs/dbraw/zinc/53/81/73/373538173.db2.gz YIRWYGRKTZGJQF-GFCCVEGCSA-N 1 3 297.403 -0.718 20 0 CBADHO C[NH2+]CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000372099831 373554083 /nfs/dbraw/zinc/55/40/83/373554083.db2.gz YUGAXHMQAXJJIV-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO CN1CCC[C@H]1[C@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291996 373576092 /nfs/dbraw/zinc/57/60/92/373576092.db2.gz OLJFBDSPLKMBKL-QNWHQSFQSA-N 1 3 267.373 -0.206 20 0 CBADHO O=C([C@H]1CCCCN1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377563710 373576317 /nfs/dbraw/zinc/57/63/17/373576317.db2.gz MDLIOXPBSHQIBS-CHWSQXEVSA-N 1 3 266.389 -0.365 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417448052 373628736 /nfs/dbraw/zinc/62/87/36/373628736.db2.gz SRYCLNCTKPQHTF-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417448052 373628741 /nfs/dbraw/zinc/62/87/41/373628741.db2.gz SRYCLNCTKPQHTF-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417442909 373628772 /nfs/dbraw/zinc/62/87/72/373628772.db2.gz WONWVULAMULHEQ-STQMWFEESA-N 1 3 284.404 -0.185 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417092461 373629306 /nfs/dbraw/zinc/62/93/06/373629306.db2.gz MBCGXPMDTCITII-LBPRGKRZSA-N 1 3 272.393 -0.009 20 0 CBADHO CC[N@H+](CCNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000417431886 373629893 /nfs/dbraw/zinc/62/98/93/373629893.db2.gz RZBVNEMTUAVCKV-LBPRGKRZSA-N 1 3 270.377 -0.242 20 0 CBADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000417431886 373629900 /nfs/dbraw/zinc/62/99/00/373629900.db2.gz RZBVNEMTUAVCKV-LBPRGKRZSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)[C@H](C)[NH3+] ZINC000418699119 373633898 /nfs/dbraw/zinc/63/38/98/373633898.db2.gz NSWWBSQLXWVKON-TUAOUCFPSA-N 1 3 272.393 -0.132 20 0 CBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419150115 373634987 /nfs/dbraw/zinc/63/49/87/373634987.db2.gz LUOPYNQGVYVONU-NEPJUHHUSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026314 373635652 /nfs/dbraw/zinc/63/56/52/373635652.db2.gz NKSVOAXCQLZYFJ-XQQFMLRXSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419431706 373638270 /nfs/dbraw/zinc/63/82/70/373638270.db2.gz XRQHWJFYUAHUSQ-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423598570 373658775 /nfs/dbraw/zinc/65/87/75/373658775.db2.gz VYJWHNNOSHLDDI-STQMWFEESA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C[C@H]1C[NH3+] ZINC000423057749 373655605 /nfs/dbraw/zinc/65/56/05/373655605.db2.gz ANWFUYUEEXILHD-NWDGAFQWSA-N 1 3 284.404 -0.550 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423151632 373655853 /nfs/dbraw/zinc/65/58/53/373655853.db2.gz KHHJQDCYHWDBRH-STQMWFEESA-N 1 3 294.399 -0.367 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422971380 373656351 /nfs/dbraw/zinc/65/63/51/373656351.db2.gz IOAYHBUHGHRFJQ-NWDGAFQWSA-N 1 3 284.404 -0.362 20 0 CBADHO CCC[C@@H](C(=O)NC[C@H]1C[NH2+]CCN1C)N(C)C ZINC000423724886 373662113 /nfs/dbraw/zinc/66/21/13/373662113.db2.gz RXYRATAQKLZYDX-NEPJUHHUSA-N 1 3 256.394 -0.264 20 0 CBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000424460527 373664715 /nfs/dbraw/zinc/66/47/15/373664715.db2.gz BFWBLNLZMYYBKT-GMTAPVOTSA-N 1 3 256.350 -0.456 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163705 373666059 /nfs/dbraw/zinc/66/60/59/373666059.db2.gz XYZUYELZIYUMHX-WOPDTQHZSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)C[NH3+])CN1CCN(C)CC1 ZINC000431016985 373675186 /nfs/dbraw/zinc/67/51/86/373675186.db2.gz MLLWKVLKNWNETF-LBPRGKRZSA-N 1 3 270.421 -0.029 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000493896403 373735628 /nfs/dbraw/zinc/73/56/28/373735628.db2.gz GAKHYHFUZAYAQE-GHMZBOCLSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217707573 220235503 /nfs/dbraw/zinc/23/55/03/220235503.db2.gz GKSVFZVTUAHXEK-UTUOFQBUSA-N 1 3 255.362 -0.300 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000516168473 373805360 /nfs/dbraw/zinc/80/53/60/373805360.db2.gz JPKIWXNQQOCKNX-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000520231221 373829825 /nfs/dbraw/zinc/82/98/25/373829825.db2.gz NWUONYFMOPDZHO-AWEZNQCLSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H]1NCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000520232091 373829931 /nfs/dbraw/zinc/82/99/31/373829931.db2.gz RQNROKSAAMCOLK-GARJFASQSA-N 1 3 268.361 -0.937 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@@H](NC2(CO)CCCC2)C1=O ZINC000520604837 373832907 /nfs/dbraw/zinc/83/29/07/373832907.db2.gz ZLLIHOYDGSEYIN-GFCCVEGCSA-N 1 3 297.399 -0.040 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]2CNCCO2)C1 ZINC000515302450 373781228 /nfs/dbraw/zinc/78/12/28/373781228.db2.gz UXBBQYFJWQVWBS-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H]2CNCCO2)C1 ZINC000515302450 373781235 /nfs/dbraw/zinc/78/12/35/373781235.db2.gz UXBBQYFJWQVWBS-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000515840049 373798120 /nfs/dbraw/zinc/79/81/20/373798120.db2.gz CKJCLFVSEKAWOX-NWDGAFQWSA-N 1 3 255.362 -0.192 20 0 CBADHO CN(C)C1(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCC1 ZINC000516051982 373800091 /nfs/dbraw/zinc/80/00/91/373800091.db2.gz KJJXZIBHTWBHGD-CQSZACIVSA-N 1 3 284.448 -0.331 20 0 CBADHO CN1CCN(C[C@H](O)CNCC2([NH+](C)C)CCC2)CC1 ZINC000516051982 373800098 /nfs/dbraw/zinc/80/00/98/373800098.db2.gz KJJXZIBHTWBHGD-CQSZACIVSA-N 1 3 284.448 -0.331 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000526993251 373900488 /nfs/dbraw/zinc/90/04/88/373900488.db2.gz BTTUVRKQCWUOGI-ITGUQSILSA-N 1 3 284.404 -0.234 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C1([NH3+])CCC1 ZINC000521870890 373851867 /nfs/dbraw/zinc/85/18/67/373851867.db2.gz PMIBQGTUDBIIBV-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000522266325 373867694 /nfs/dbraw/zinc/86/76/94/373867694.db2.gz IFDRUVDGVGODSF-UONOGXRCSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000522266325 373867700 /nfs/dbraw/zinc/86/77/00/373867700.db2.gz IFDRUVDGVGODSF-UONOGXRCSA-N 1 3 282.432 -0.062 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](CN)C1 ZINC000529347333 374009039 /nfs/dbraw/zinc/00/90/39/374009039.db2.gz CKYROCGWOICMMI-NEPJUHHUSA-N 1 3 281.404 -0.445 20 0 CBADHO CC(C)[C@H]1C[NH2+]CCN1CCC(=O)N1CCNCC1 ZINC000530228974 374070062 /nfs/dbraw/zinc/07/00/62/374070062.db2.gz JQTAGPYYIPXTSE-CYBMUJFWSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(C)[C@H]1CNCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000530228974 374070066 /nfs/dbraw/zinc/07/00/66/374070066.db2.gz JQTAGPYYIPXTSE-CYBMUJFWSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(C)[C@H]1CNCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000530228974 374070069 /nfs/dbraw/zinc/07/00/69/374070069.db2.gz JQTAGPYYIPXTSE-CYBMUJFWSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CN(C)CCO1 ZINC000531252136 374121770 /nfs/dbraw/zinc/12/17/70/374121770.db2.gz NCBDZKQDNZMQSS-ZDUSSCGKSA-N 1 3 286.420 -0.731 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000532001198 374155804 /nfs/dbraw/zinc/15/58/04/374155804.db2.gz MYBDVPNLRGCJIO-LBPRGKRZSA-N 1 3 299.419 -0.648 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC[NH2+]C1 ZINC000566496747 374331169 /nfs/dbraw/zinc/33/11/69/374331169.db2.gz TXJNDUNVXVJGHZ-MJVIPROJSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC[NH2+]C1 ZINC000566496750 374331249 /nfs/dbraw/zinc/33/12/49/374331249.db2.gz TXJNDUNVXVJGHZ-WDMOLILDSA-N 1 3 280.372 -0.854 20 0 CBADHO COC[C@]1(C(=O)N[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000583262913 374357313 /nfs/dbraw/zinc/35/73/13/374357313.db2.gz UYEHQAIWQYDPMA-ONGXEEELSA-N 1 3 277.315 -0.274 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000583321310 374361512 /nfs/dbraw/zinc/36/15/12/374361512.db2.gz ZGKRIUQTKNAVEL-NSHDSACASA-N 1 3 268.361 -0.933 20 0 CBADHO COCCN1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000583324870 374361665 /nfs/dbraw/zinc/36/16/65/374361665.db2.gz OJTSWEKAIIFGAL-RISCZKNCSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H](CNC(=O)NC[C@H]1CNCCO1)[N@H+](C)C1CC1 ZINC000578051313 374349964 /nfs/dbraw/zinc/34/99/64/374349964.db2.gz MDHAVEFYLSMQSO-CMPLNLGQSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@@H](CNC(=O)NC[C@H]1CNCCO1)[N@@H+](C)C1CC1 ZINC000578051313 374349973 /nfs/dbraw/zinc/34/99/73/374349973.db2.gz MDHAVEFYLSMQSO-CMPLNLGQSA-N 1 3 270.377 -0.243 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)nn1 ZINC000643801156 374430131 /nfs/dbraw/zinc/43/01/31/374430131.db2.gz DXXVRCNENBEMJX-AXFHLTTASA-N 1 3 264.333 -0.753 20 0 CBADHO COC[C@]1(CNC(=O)[C@H]2NCC2(C)C)CCC[NH2+]1 ZINC000644125920 374490752 /nfs/dbraw/zinc/49/07/52/374490752.db2.gz BHGUOCYNVZLBRE-ZWNOBZJWSA-N 1 3 255.362 -0.131 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141891 374492433 /nfs/dbraw/zinc/49/24/33/374492433.db2.gz JTKAKMJYNBDTQP-DCAQKATOSA-N 1 3 259.325 -0.429 20 0 CBADHO C[C@H](CCN(C)C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000644562839 374595113 /nfs/dbraw/zinc/59/51/13/374595113.db2.gz BOGFFKRTFVLIAN-ZIAGYGMSSA-N 1 3 272.437 -0.476 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000644562839 374595119 /nfs/dbraw/zinc/59/51/19/374595119.db2.gz BOGFFKRTFVLIAN-ZIAGYGMSSA-N 1 3 272.437 -0.476 20 0 CBADHO C[N@H+](C[C@@H](O)CNC1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640862 374604653 /nfs/dbraw/zinc/60/46/53/374604653.db2.gz DKGRZPPHSOTAPU-CBINBANVSA-N 1 3 291.417 -0.889 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640862 374604657 /nfs/dbraw/zinc/60/46/57/374604657.db2.gz DKGRZPPHSOTAPU-CBINBANVSA-N 1 3 291.417 -0.889 20 0 CBADHO CN(C)CCn1cc(NC(=O)C2(C)C[NH2+]C2)cn1 ZINC000645803392 374700203 /nfs/dbraw/zinc/70/02/03/374700203.db2.gz XEPVNKRNONBHTJ-UHFFFAOYSA-N 1 3 251.334 -0.007 20 0 CBADHO CC(C)OCCN1CCC(NC(=O)COCC[NH3+])CC1 ZINC000646143247 374747172 /nfs/dbraw/zinc/74/71/72/374747172.db2.gz VTRMUFJRAKDTIK-UHFFFAOYSA-N 1 3 287.404 -0.033 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000646216642 374759775 /nfs/dbraw/zinc/75/97/75/374759775.db2.gz LDCLIPSRZMRPAJ-NXEZZACHSA-N 1 3 256.350 -0.504 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000645951642 374717656 /nfs/dbraw/zinc/71/76/56/374717656.db2.gz SATMMSDEGDRZQE-SRVKXCTJSA-N 1 3 255.362 -0.179 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000646635597 374796746 /nfs/dbraw/zinc/79/67/46/374796746.db2.gz TUZYRNGAJNIIKY-DYNIEEOBSA-N 1 3 267.373 -0.003 20 0 CBADHO C[NH2+]CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000646680227 374803879 /nfs/dbraw/zinc/80/38/79/374803879.db2.gz ATXVABGVYZJLDS-GIPNMCIBSA-N 1 3 255.362 -0.146 20 0 CBADHO O=C(C[C@H]1CCC[NH2+]1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803766 374816729 /nfs/dbraw/zinc/81/67/29/374816729.db2.gz PFSACXNKGHGCKD-SECBINFHSA-N 1 3 279.348 -0.705 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](CN)C1 ZINC000646833251 374822112 /nfs/dbraw/zinc/82/21/12/374822112.db2.gz XSAHSPCFHDRGCZ-MDZLAQPJSA-N 1 3 252.362 -0.913 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](CN)C1 ZINC000646833187 374822411 /nfs/dbraw/zinc/82/24/11/374822411.db2.gz NIYBDIZYCRIQMU-HZSPNIEDSA-N 1 3 280.416 -0.277 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000646851354 374827306 /nfs/dbraw/zinc/82/73/06/374827306.db2.gz UAFNUGBOISXXPP-XVMARJQXSA-N 1 3 255.240 -0.549 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336217 374770866 /nfs/dbraw/zinc/77/08/66/374770866.db2.gz LGVDKLZUZDGLOM-ZYHUDNBSSA-N 1 3 253.346 -0.425 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336215 374771391 /nfs/dbraw/zinc/77/13/91/374771391.db2.gz LGVDKLZUZDGLOM-JQWIXIFHSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N(C)C ZINC000646427275 374777748 /nfs/dbraw/zinc/77/77/48/374777748.db2.gz XLCJCPFFEPYMSG-WDEREUQCSA-N 1 3 280.376 -0.290 20 0 CBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)COCC[NH3+] ZINC000646428224 374778185 /nfs/dbraw/zinc/77/81/85/374778185.db2.gz AQOGZSVSBDWWPC-LBPRGKRZSA-N 1 3 273.377 -0.469 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000646411977 374778306 /nfs/dbraw/zinc/77/83/06/374778306.db2.gz QFTWELLUFRSADO-GFCCVEGCSA-N 1 3 269.389 -0.053 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058114 374878378 /nfs/dbraw/zinc/87/83/78/374878378.db2.gz NZAZRQDAHWWTJT-UWVGGRQHSA-N 1 3 259.325 -0.429 20 0 CBADHO CC[C@@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1[NH3+] ZINC000647015233 374859893 /nfs/dbraw/zinc/85/98/93/374859893.db2.gz KUKDXCVVHMGSLB-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574584330 335032022 /nfs/dbraw/zinc/03/20/22/335032022.db2.gz FWAXYHDULXIWTM-GRYCIOLGSA-N 1 3 297.403 -0.543 20 0 CBADHO [NH3+]CCOCCN1CCC(NC(=O)C2CC2)CC1 ZINC000357025380 248310138 /nfs/dbraw/zinc/31/01/38/248310138.db2.gz GFEWWLUURBOHLE-UHFFFAOYSA-N 1 3 255.362 -0.048 20 0 CBADHO CC[NH+]1CCN(CCCNC(=O)C[C@H]2COCCN2)CC1 ZINC000357246087 248341304 /nfs/dbraw/zinc/34/13/04/248341304.db2.gz XCQSIRSULNJGAZ-AWEZNQCLSA-N 1 3 298.431 -0.491 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419730068 284626478 /nfs/dbraw/zinc/62/64/78/284626478.db2.gz IZBKRTLPHUCGKD-LLVKDONJSA-N 1 3 272.393 -0.584 20 0 CBADHO Cn1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346851424 218035432 /nfs/dbraw/zinc/03/54/32/218035432.db2.gz JUNJJHXPTQSRIZ-DLOVCJGASA-N 1 3 278.356 -0.747 20 0 CBADHO Cn1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000346851425 218036046 /nfs/dbraw/zinc/03/60/46/218036046.db2.gz JUNJJHXPTQSRIZ-MVWJERBFSA-N 1 3 278.356 -0.747 20 0 CBADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000347660105 218311391 /nfs/dbraw/zinc/31/13/91/218311391.db2.gz SDWZQXTUULMSJX-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000417812148 207563970 /nfs/dbraw/zinc/56/39/70/207563970.db2.gz FEXVOOIYKAQTTL-LLVKDONJSA-N 1 3 260.407 -0.058 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553296 207708251 /nfs/dbraw/zinc/70/82/51/207708251.db2.gz YMZVNQAUMLEIPH-MNOVXSKESA-N 1 3 286.420 -0.116 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419692823 207722036 /nfs/dbraw/zinc/72/20/36/207722036.db2.gz HRDGNIYUTXTDGN-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423750582 207935759 /nfs/dbraw/zinc/93/57/59/207935759.db2.gz UGPHHPGWSVTRAG-STQMWFEESA-N 1 3 287.404 -0.081 20 0 CBADHO CCN1CCN(CCC(=O)N2CCC[NH2+]CC2)CC1 ZINC000428411532 208087285 /nfs/dbraw/zinc/08/72/85/208087285.db2.gz FHDJMTPLKIQPRZ-UHFFFAOYSA-N 1 3 268.405 -0.164 20 0 CBADHO COCCNCCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377806685 533025341 /nfs/dbraw/zinc/02/53/41/533025341.db2.gz ICBSMCJPCXZCDG-NEPJUHHUSA-N 1 3 257.378 -0.027 20 0 CBADHO COCCN1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348987057 218786311 /nfs/dbraw/zinc/78/63/11/218786311.db2.gz DFJRRTIVNOOQMX-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO C[NH+]1CCC(CNC(=O)CCOC2CNC2)CC1 ZINC000349005124 218789885 /nfs/dbraw/zinc/78/98/85/218789885.db2.gz SJYUHAYZIBVWDH-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO [NH3+]C[C@H]1CCCN(CCC(=O)N2CCOCC2)C1 ZINC000430624726 208168981 /nfs/dbraw/zinc/16/89/81/208168981.db2.gz PEANERSUOIUKPM-GFCCVEGCSA-N 1 3 255.362 -0.094 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@H]([NH2+]C)C2)CC1 ZINC000430631024 208169295 /nfs/dbraw/zinc/16/92/95/208169295.db2.gz ZNOZIOAIXJDTLP-ZDUSSCGKSA-N 1 3 268.405 -0.119 20 0 CBADHO [NH3+][C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430623384 208169570 /nfs/dbraw/zinc/16/95/70/208169570.db2.gz NFLFKZBCEQMUMM-LLVKDONJSA-N 1 3 266.389 -0.238 20 0 CBADHO CC(C)N1CC[C@@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629329 208169695 /nfs/dbraw/zinc/16/96/95/208169695.db2.gz PWYKYFVINSOGLA-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430636472 208170131 /nfs/dbraw/zinc/17/01/31/208170131.db2.gz JGNZRFZRUAMROK-WCQYABFASA-N 1 3 294.399 -0.463 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000368617143 285075307 /nfs/dbraw/zinc/07/53/07/285075307.db2.gz YLYOFDNVZHXWMF-SRVKXCTJSA-N 1 3 255.362 -0.192 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430718319 208174683 /nfs/dbraw/zinc/17/46/83/208174683.db2.gz BVVFDUBYIZOBMN-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COCC[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418514762 285079166 /nfs/dbraw/zinc/07/91/66/285079166.db2.gz XNOZFQFDJIYQBI-GHMZBOCLSA-N 1 3 258.366 -0.386 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431019373 208200073 /nfs/dbraw/zinc/20/00/73/208200073.db2.gz OKUMDYVGQJPJAB-LBPRGKRZSA-N 1 3 256.394 -0.404 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CNCCO1 ZINC000431017345 208200263 /nfs/dbraw/zinc/20/02/63/208200263.db2.gz PUTKSEROVOFIJA-CHWSQXEVSA-N 1 3 287.404 -0.162 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000434668843 208265280 /nfs/dbraw/zinc/26/52/80/208265280.db2.gz DFPDTDGRGKBICF-TUAOUCFPSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000441616573 208351526 /nfs/dbraw/zinc/35/15/26/208351526.db2.gz UMRVIWQQISUXDC-LBPRGKRZSA-N 1 3 256.394 -0.275 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419576787 285195119 /nfs/dbraw/zinc/19/51/19/285195119.db2.gz CHEVZSIFOQPHFU-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO O=C(NC1CNC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000574863200 335053047 /nfs/dbraw/zinc/05/30/47/335053047.db2.gz GSWUBTVBFSYDAY-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419985136 285232836 /nfs/dbraw/zinc/23/28/36/285232836.db2.gz WLGMHARYVVYOAJ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420141097 285256111 /nfs/dbraw/zinc/25/61/11/285256111.db2.gz JETFXMRYXBKURQ-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431025063 285320171 /nfs/dbraw/zinc/32/01/71/285320171.db2.gz XIZAESOXPQWKJY-GFCCVEGCSA-N 1 3 256.394 -0.275 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)CCOC1CNC1)C(F)(F)F ZINC000575052861 335059653 /nfs/dbraw/zinc/05/96/53/335059653.db2.gz PBUOZMMZBLWMRB-MRVPVSSYSA-N 1 3 269.267 -0.239 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357226278 285335582 /nfs/dbraw/zinc/33/55/82/285335582.db2.gz OFNUTNJFHJEEOF-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420024274 289127900 /nfs/dbraw/zinc/12/79/00/289127900.db2.gz XWTYNGCUTASTHN-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417760046 292337243 /nfs/dbraw/zinc/33/72/43/292337243.db2.gz XDKYOOPHYNLPPY-WDEREUQCSA-N 1 3 260.382 -0.010 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)C[NH+]1CCCC1 ZINC000419838230 286856309 /nfs/dbraw/zinc/85/63/09/286856309.db2.gz XNMOTWSSNAXGJY-AAEUAGOBSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419401009 298418767 /nfs/dbraw/zinc/41/87/67/298418767.db2.gz ADAVMQXJSKXBMN-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420028339 298536264 /nfs/dbraw/zinc/53/62/64/298536264.db2.gz MGHZUXLWPIBHNR-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CN)C[NH+]1CCCCC1 ZINC000420032731 298679677 /nfs/dbraw/zinc/67/96/77/298679677.db2.gz UTUMIDWTMMXDPG-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[NH2+][C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662750900 413991826 /nfs/dbraw/zinc/99/18/26/413991826.db2.gz PHBZSLDHFOXCAY-QMMMGPOBSA-N 1 3 267.333 -0.355 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662754118 413994037 /nfs/dbraw/zinc/99/40/37/413994037.db2.gz DMZOPIWXBFLRBJ-FOUMNBMASA-N 1 3 267.373 -0.051 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000038978077 174160693 /nfs/dbraw/zinc/16/06/93/174160693.db2.gz UYHFFDZWQVUNTA-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO CC1(C)NC(=O)N(CCN2CCC(C[NH3+])CC2)C1=O ZINC000044513541 175188845 /nfs/dbraw/zinc/18/88/45/175188845.db2.gz RIDBGYLAPWQJAX-UHFFFAOYSA-N 1 3 268.361 -0.013 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000063180305 175684044 /nfs/dbraw/zinc/68/40/44/175684044.db2.gz OOIADNXEABPUSA-CYBMUJFWSA-N 1 3 284.404 -0.895 20 0 CBADHO CCCN(CCN(C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000089700811 544437236 /nfs/dbraw/zinc/43/72/36/544437236.db2.gz AGYAROATVBFJDQ-UHFFFAOYSA-N 1 3 268.365 -0.349 20 0 CBADHO [NH3+]CCn1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)nn1 ZINC000089709154 544438428 /nfs/dbraw/zinc/43/84/28/544438428.db2.gz QRCVHZNHSVBLMQ-LBPRGKRZSA-N 1 3 292.387 -0.063 20 0 CBADHO C[N@@H+]1CCC[C@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061728 544446809 /nfs/dbraw/zinc/44/68/09/544446809.db2.gz UQMBKRMGEKSLDD-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061728 544446811 /nfs/dbraw/zinc/44/68/11/544446811.db2.gz UQMBKRMGEKSLDD-LLVKDONJSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(CCc1ccnn1C)CCN1CC[NH2+]CC1 ZINC000230774604 544502203 /nfs/dbraw/zinc/50/22/03/544502203.db2.gz PXWQOYUYGYLRJM-UHFFFAOYSA-N 1 3 251.378 -0.200 20 0 CBADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOC2(CNC2)C1 ZINC000333949262 544546342 /nfs/dbraw/zinc/54/63/42/544546342.db2.gz XCKFCNJJALXWCX-STQMWFEESA-N 1 3 294.399 -0.003 20 0 CBADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCOC2(CNC2)C1 ZINC000333949262 544546349 /nfs/dbraw/zinc/54/63/49/544546349.db2.gz XCKFCNJJALXWCX-STQMWFEESA-N 1 3 294.399 -0.003 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCC(C[NH3+])CC2)CC1=O ZINC000237161540 544508639 /nfs/dbraw/zinc/50/86/39/544508639.db2.gz SIPCVNZVZLWBKH-CYBMUJFWSA-N 1 3 296.415 -0.406 20 0 CBADHO NC1(C(=O)NCCCN2CC[NH2+]CC2)CCCC1 ZINC000237788421 544509208 /nfs/dbraw/zinc/50/92/08/544509208.db2.gz KUOGMIVVGPQCSQ-UHFFFAOYSA-N 1 3 254.378 -0.331 20 0 CBADHO C[C@@H]1CCN(C(=O)CCOC2CNC2)[C@H](C[NH3+])C1 ZINC000261767532 544515887 /nfs/dbraw/zinc/51/58/87/544515887.db2.gz KELSWOPXXJGXAY-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)CN1CCOCC1 ZINC000037904520 419411892 /nfs/dbraw/zinc/41/18/92/419411892.db2.gz GXPFBIYMZJFGOE-HIFRSBDPSA-N 1 3 283.416 -0.247 20 0 CBADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904520 419411906 /nfs/dbraw/zinc/41/19/06/419411906.db2.gz GXPFBIYMZJFGOE-HIFRSBDPSA-N 1 3 283.416 -0.247 20 0 CBADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904520 419411921 /nfs/dbraw/zinc/41/19/21/419411921.db2.gz GXPFBIYMZJFGOE-HIFRSBDPSA-N 1 3 283.416 -0.247 20 0 CBADHO CC(C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000229068274 419567543 /nfs/dbraw/zinc/56/75/43/419567543.db2.gz RFMRFMCDPMEALL-UTLUCORTSA-N 1 3 262.375 -0.137 20 0 CBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CNC1CC1 ZINC000193684102 419546588 /nfs/dbraw/zinc/54/65/88/419546588.db2.gz FKLUWCINVWOGQR-GFCCVEGCSA-N 1 3 282.388 -0.416 20 0 CBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CNC1CC1 ZINC000193684083 419548494 /nfs/dbraw/zinc/54/84/94/419548494.db2.gz FKLUWCINVWOGQR-LBPRGKRZSA-N 1 3 282.388 -0.416 20 0 CBADHO COCCN(C)C[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000388778735 544576532 /nfs/dbraw/zinc/57/65/32/544576532.db2.gz MUFNISUSOSEDGD-AWEZNQCLSA-N 1 3 273.421 -0.049 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000389740410 544576597 /nfs/dbraw/zinc/57/65/97/544576597.db2.gz NUVWJDYYYCOOGV-QJPTWQEYSA-N 1 3 255.362 -0.036 20 0 CBADHO COC[C@@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])OC ZINC000662271679 419568541 /nfs/dbraw/zinc/56/85/41/419568541.db2.gz IKQFALGCOHASSY-CHWSQXEVSA-N 1 3 287.404 -0.033 20 0 CBADHO CN1CCC[C@@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000662245213 419557417 /nfs/dbraw/zinc/55/74/17/419557417.db2.gz RZZIMJLYIOXLTG-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO O=C([C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243510 419559265 /nfs/dbraw/zinc/55/92/65/419559265.db2.gz MKUZDCKRDNITRL-KBPBESRZSA-N 1 3 296.415 -0.881 20 0 CBADHO O=C([C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243510 419559268 /nfs/dbraw/zinc/55/92/68/419559268.db2.gz MKUZDCKRDNITRL-KBPBESRZSA-N 1 3 296.415 -0.881 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262943 419568681 /nfs/dbraw/zinc/56/86/81/419568681.db2.gz YLDVTRUSECFPTM-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO CC1(C)CN[C@H]1C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000644113990 419563846 /nfs/dbraw/zinc/56/38/46/419563846.db2.gz YTYNNBUQTCCDAE-KOLCDFICSA-N 1 3 263.345 0.354 20 0 CBADHO CC[N@H+](CCNC(=O)COC1(C)CNC1)C1CC1 ZINC000219043892 419564018 /nfs/dbraw/zinc/56/40/18/419564018.db2.gz ISMKJIQHASEIGQ-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+](CCNC(=O)COC1(C)CNC1)C1CC1 ZINC000219043892 419564027 /nfs/dbraw/zinc/56/40/27/419564027.db2.gz ISMKJIQHASEIGQ-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)CN1CCNCC1 ZINC000220109827 419565234 /nfs/dbraw/zinc/56/52/34/419565234.db2.gz CRQGWOHSKOOLPG-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CN1CCNCC1 ZINC000220109827 419565241 /nfs/dbraw/zinc/56/52/41/419565241.db2.gz CRQGWOHSKOOLPG-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CC(C)(CO)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662263555 419565598 /nfs/dbraw/zinc/56/55/98/419565598.db2.gz MZRPMFMDOZCQJI-ZDUSSCGKSA-N 1 3 283.416 -0.104 20 0 CBADHO CC(C)(C)[C@H](NC[C@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000662259149 419566939 /nfs/dbraw/zinc/56/69/39/419566939.db2.gz QWDLISKBBQWIAS-NXEZZACHSA-N 1 3 255.362 -0.003 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662538231 419633269 /nfs/dbraw/zinc/63/32/69/419633269.db2.gz LNVSDOHLAOPENS-UHFFFAOYSA-N 1 3 266.349 -0.597 20 0 CBADHO CN(C)CCN(C(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000662542643 419635675 /nfs/dbraw/zinc/63/56/75/419635675.db2.gz RCXGTWDNFMVUHV-UHFFFAOYSA-N 1 3 266.349 -0.597 20 0 CBADHO CNC(=O)CCC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662278933 419571863 /nfs/dbraw/zinc/57/18/63/419571863.db2.gz OAIVQVOOVAQJCD-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CNC(=O)CCC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662278933 419571871 /nfs/dbraw/zinc/57/18/71/419571871.db2.gz OAIVQVOOVAQJCD-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277522 419572473 /nfs/dbraw/zinc/57/24/73/419572473.db2.gz VODMYMPWKOBIHS-CHWSQXEVSA-N 1 3 266.389 -0.413 20 0 CBADHO [NH3+]C[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CCCO1 ZINC000662283028 419574376 /nfs/dbraw/zinc/57/43/76/419574376.db2.gz ZQCINTITQDDMLL-NEPJUHHUSA-N 1 3 255.362 -0.443 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(C)(C)[NH3+] ZINC000237017117 419576290 /nfs/dbraw/zinc/57/62/90/419576290.db2.gz WNFVVICUYHNVHQ-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO [NH3+]CC12CC(C1)CN2CCC(=O)N1CCNCC1 ZINC000662304402 419579879 /nfs/dbraw/zinc/57/98/79/419579879.db2.gz RFUMBVFJWNQLBQ-UHFFFAOYSA-N 1 3 252.362 -0.769 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000662296611 419582232 /nfs/dbraw/zinc/58/22/32/419582232.db2.gz TZDMDVMBHVIXHM-RYUDHWBXSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296611 419582237 /nfs/dbraw/zinc/58/22/37/419582237.db2.gz TZDMDVMBHVIXHM-RYUDHWBXSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296611 419582247 /nfs/dbraw/zinc/58/22/47/419582247.db2.gz TZDMDVMBHVIXHM-RYUDHWBXSA-N 1 3 253.350 -0.430 20 0 CBADHO [NH3+]CCOCCN1CC[C@@H](CN2CCCC2=O)C1 ZINC000662315602 419586789 /nfs/dbraw/zinc/58/67/89/419586789.db2.gz GSHGOUBBYCARGC-GFCCVEGCSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662388309 419592033 /nfs/dbraw/zinc/59/20/33/419592033.db2.gz PJQWJKYHNSDRMU-NSHDSACASA-N 1 3 280.376 -0.302 20 0 CBADHO Nc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000647489670 419594300 /nfs/dbraw/zinc/59/43/00/419594300.db2.gz WMPKLHTWZGWKKV-LBPRGKRZSA-N 1 3 277.372 -0.049 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)C1(NC2CC2)CCC1 ZINC000662401569 419595614 /nfs/dbraw/zinc/59/56/14/419595614.db2.gz WVRYDRQYDDPPQW-UHFFFAOYSA-N 1 3 266.389 -0.318 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662444460 419605047 /nfs/dbraw/zinc/60/50/47/419605047.db2.gz IUQYMBWWBHWXNX-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000647540387 419605371 /nfs/dbraw/zinc/60/53/71/419605371.db2.gz MZIDIMQEWYNRTF-AGIUHOORSA-N 1 3 286.395 -0.185 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549746 419607704 /nfs/dbraw/zinc/60/77/04/419607704.db2.gz PAIPNDCJTDOUQN-QJPTWQEYSA-N 1 3 275.418 -0.145 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549749 419608101 /nfs/dbraw/zinc/60/81/01/419608101.db2.gz PAIPNDCJTDOUQN-TUAOUCFPSA-N 1 3 275.418 -0.145 20 0 CBADHO CC(C)[NH2+]CC(=O)NCCCN1CCC(O)CC1 ZINC000662526158 419628935 /nfs/dbraw/zinc/62/89/35/419628935.db2.gz SXLRVPPHABPFFA-UHFFFAOYSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN1CCN(CCNC(=O)C[NH2+]C(C)C)CC1 ZINC000662525932 419629550 /nfs/dbraw/zinc/62/95/50/419629550.db2.gz MGQSOXIZECTAGI-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643900 419630417 /nfs/dbraw/zinc/63/04/17/419630417.db2.gz ZFEWXNDLPXPAPW-AWEZNQCLSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000331503647 419661822 /nfs/dbraw/zinc/66/18/22/419661822.db2.gz SLOUMKIVZZUBGI-QWHCGFSZSA-N 1 3 296.415 -0.265 20 0 CBADHO Nc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000647828789 419665208 /nfs/dbraw/zinc/66/52/08/419665208.db2.gz FQPWTXYYXSTCMB-LBPRGKRZSA-N 1 3 277.372 -0.049 20 0 CBADHO C[C@H]1CN(CCN(C)CCN2CC[NH2+]CC2)CCO1 ZINC000647836183 419668372 /nfs/dbraw/zinc/66/83/72/419668372.db2.gz JMTOCHZJQKNXRG-AWEZNQCLSA-N 1 3 270.421 -0.456 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000662659981 419673960 /nfs/dbraw/zinc/67/39/60/419673960.db2.gz RLBMWJFFYGSWJW-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000662668074 419675272 /nfs/dbraw/zinc/67/52/72/419675272.db2.gz ADPBBLWYRWXAQV-NEPJUHHUSA-N 1 3 255.362 -0.048 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)CNC[C@H]1CCCO1 ZINC000662676474 419676367 /nfs/dbraw/zinc/67/63/67/419676367.db2.gz WXCZGHSIGMRHFQ-QWKFWESOSA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000414699235 544590221 /nfs/dbraw/zinc/59/02/21/544590221.db2.gz DQMCLEUCEWUAHQ-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO CC[C@@H]1CN(CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000647934360 419692095 /nfs/dbraw/zinc/69/20/95/419692095.db2.gz BVUPBMJUMPHNEJ-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])n1 ZINC000662704943 419693391 /nfs/dbraw/zinc/69/33/91/419693391.db2.gz MGMQIXMVXQYFCN-QWRGUYRKSA-N 1 3 281.360 -0.253 20 0 CBADHO CCCN1CC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662704034 419693417 /nfs/dbraw/zinc/69/34/17/419693417.db2.gz SBLHZOQEYYNUGE-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])n1 ZINC000662704940 419693945 /nfs/dbraw/zinc/69/39/45/419693945.db2.gz MGMQIXMVXQYFCN-GHMZBOCLSA-N 1 3 281.360 -0.253 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662713319 419697351 /nfs/dbraw/zinc/69/73/51/419697351.db2.gz YWKWCKUUKIZZFT-FRRDWIJNSA-N 1 3 285.388 -0.423 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662743284 419706804 /nfs/dbraw/zinc/70/68/04/419706804.db2.gz NFZDEYYYIAVILY-VXGBXAGGSA-N 1 3 273.377 -0.565 20 0 CBADHO CC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000647993697 419710026 /nfs/dbraw/zinc/71/00/26/419710026.db2.gz JMKJTJPUTXJHKZ-STQMWFEESA-N 1 3 284.404 -0.213 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662758216 419711857 /nfs/dbraw/zinc/71/18/57/419711857.db2.gz OJPMWOZJPBIIOZ-RDBSUJKOSA-N 1 3 298.431 -0.508 20 0 CBADHO CCN1CCN(CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662758946 419712425 /nfs/dbraw/zinc/71/24/25/419712425.db2.gz VMTHAVKKDBJXAU-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)C2(NC3CC3)CCC2)CCO1 ZINC000662765884 419713355 /nfs/dbraw/zinc/71/33/55/419713355.db2.gz DWZPFCXJWCIEII-LLVKDONJSA-N 1 3 253.346 -0.153 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)C(C)(C)C ZINC000647769653 419650755 /nfs/dbraw/zinc/65/07/55/419650755.db2.gz DAMDRFPKQVKGFA-LLVKDONJSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCCN1 ZINC000647770151 419651712 /nfs/dbraw/zinc/65/17/12/419651712.db2.gz ZOPUSXRYCPFTIG-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO CC1(OCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CNC1 ZINC000648110074 419737238 /nfs/dbraw/zinc/73/72/38/419737238.db2.gz XBYMCSSSBWSWOQ-CYBMUJFWSA-N 1 3 253.346 -0.423 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123007 419738689 /nfs/dbraw/zinc/73/86/89/419738689.db2.gz GYQZFRDYOFAVAS-GVXVVHGQSA-N 1 3 282.388 -0.704 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000648129585 419744559 /nfs/dbraw/zinc/74/45/59/419744559.db2.gz LLDWRWOPUMFTCT-KOLCDFICSA-N 1 3 258.366 -0.800 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000662943700 419786606 /nfs/dbraw/zinc/78/66/06/419786606.db2.gz XFMNHXCOOBAFPL-UHFFFAOYSA-N 1 3 270.377 -0.654 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@H]2C1 ZINC000648168923 419761930 /nfs/dbraw/zinc/76/19/30/419761930.db2.gz HOVKURKJIYRRJO-NEPJUHHUSA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662927891 419779029 /nfs/dbraw/zinc/77/90/29/419779029.db2.gz IABJZFFGCJIPMF-GFCCVEGCSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000662926548 419779252 /nfs/dbraw/zinc/77/92/52/419779252.db2.gz PTWQBGPYBPHDLW-GFCCVEGCSA-N 1 3 284.404 -0.406 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000662930840 419782485 /nfs/dbraw/zinc/78/24/85/419782485.db2.gz WKKOUTHNAMMYFU-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000662937738 419783877 /nfs/dbraw/zinc/78/38/77/419783877.db2.gz KJGUIPIKWIBPBZ-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO C[C@H]1NCCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H]1C ZINC000662776346 419717606 /nfs/dbraw/zinc/71/76/06/419717606.db2.gz WZVXTMIAHOXTDL-RKDXNWHRSA-N 1 3 252.322 -0.941 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000518471630 544601568 /nfs/dbraw/zinc/60/15/68/544601568.db2.gz XBYLKIMXNUIVQO-KBPBESRZSA-N 1 3 273.421 -0.191 20 0 CBADHO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663217031 419827037 /nfs/dbraw/zinc/82/70/37/419827037.db2.gz AIRIAWHGARGPBB-WCQYABFASA-N 1 3 265.357 -0.423 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](N2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000663221552 419830078 /nfs/dbraw/zinc/83/00/78/419830078.db2.gz PRECFBCLGDBTOY-AGIUHOORSA-N 1 3 295.383 -0.356 20 0 CBADHO CC(C)[C@@H]1CN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC[NH2+]1 ZINC000663222900 419830756 /nfs/dbraw/zinc/83/07/56/419830756.db2.gz OBDFVJDKSMLILB-QWHCGFSZSA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492415 419842290 /nfs/dbraw/zinc/84/22/90/419842290.db2.gz STLJTGAXDPGEJH-QWRGUYRKSA-N 1 3 253.346 -0.425 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490514 419842820 /nfs/dbraw/zinc/84/28/20/419842820.db2.gz BKKFDBVIKUSVBL-XHDPSFHLSA-N 1 3 297.399 -0.280 20 0 CBADHO [NH3+]Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663491207 419842950 /nfs/dbraw/zinc/84/29/50/419842950.db2.gz HDKJYXFQYLKYIX-UHFFFAOYSA-N 1 3 261.325 -0.040 20 0 CBADHO [NH3+]C[C@H](C(=O)N1CCOC2(CNC2)C1)c1ccccc1 ZINC000663491546 419843946 /nfs/dbraw/zinc/84/39/46/419843946.db2.gz IOARXBDOQRIMAS-ZDUSSCGKSA-N 1 3 275.352 -0.070 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000662966089 419794703 /nfs/dbraw/zinc/79/47/03/419794703.db2.gz OVUWIXLCYOYTQW-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000662961716 419796103 /nfs/dbraw/zinc/79/61/03/419796103.db2.gz HHIXGIYOTYWDIT-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000662971518 419798597 /nfs/dbraw/zinc/79/85/97/419798597.db2.gz BDVHWXPNVDUBJE-KBPBESRZSA-N 1 3 299.415 -0.066 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649318556 419877467 /nfs/dbraw/zinc/87/74/67/419877467.db2.gz VVDTYPJZYHTWPB-XQQFMLRXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000664219320 419889278 /nfs/dbraw/zinc/88/92/78/419889278.db2.gz RPXWAOMUQYKLFE-CYDGBPFRSA-N 1 3 284.404 -0.215 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000664219320 419889282 /nfs/dbraw/zinc/88/92/82/419889282.db2.gz RPXWAOMUQYKLFE-CYDGBPFRSA-N 1 3 284.404 -0.215 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000649352855 419902836 /nfs/dbraw/zinc/90/28/36/419902836.db2.gz QQCCZLRUANHQEK-BYNSBNAKSA-N 1 3 292.427 -0.310 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350604 419905069 /nfs/dbraw/zinc/90/50/69/419905069.db2.gz RULVRSTWTFGEDB-ITGUQSILSA-N 1 3 266.389 -0.795 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)C1 ZINC000649352759 419905231 /nfs/dbraw/zinc/90/52/31/419905231.db2.gz IUQLPBAOJRCMMR-BARDWOONSA-N 1 3 292.427 -0.025 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCNC1=O ZINC000668303383 544692014 /nfs/dbraw/zinc/69/20/14/544692014.db2.gz GMYLHEBVORYFQR-LLVKDONJSA-N 1 3 270.377 -0.926 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000669403088 544749551 /nfs/dbraw/zinc/74/95/51/544749551.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 1 3 269.393 -0.635 20 0 CBADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH3+])N1CCNCC1 ZINC000669511499 544750909 /nfs/dbraw/zinc/75/09/09/544750909.db2.gz PQVZROJRGHNVJK-NEPJUHHUSA-N 1 3 268.405 -0.086 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491142 544751291 /nfs/dbraw/zinc/75/12/91/544751291.db2.gz NDNIAAZACBUSEU-CHWSQXEVSA-N 1 3 282.388 -0.242 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491142 544751293 /nfs/dbraw/zinc/75/12/93/544751293.db2.gz NDNIAAZACBUSEU-CHWSQXEVSA-N 1 3 282.388 -0.242 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491275 544751306 /nfs/dbraw/zinc/75/13/06/544751306.db2.gz SGTYAHPBYGOLSM-NDBYEHHHSA-N 1 3 264.373 -0.012 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H](CN)C1 ZINC000669512652 544751604 /nfs/dbraw/zinc/75/16/04/544751604.db2.gz WQGKARFDVLZHFQ-AVGNSLFASA-N 1 3 268.405 -0.005 20 0 CBADHO C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCC[NH2+]1 ZINC000665294844 419938130 /nfs/dbraw/zinc/93/81/30/419938130.db2.gz XMSPOAAXFZSEDR-SCZZXKLOSA-N 1 3 251.334 -0.129 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCNC1=O ZINC000665326963 419940006 /nfs/dbraw/zinc/94/00/06/419940006.db2.gz JLCYMUYUNPRVFI-RYUDHWBXSA-N 1 3 299.419 -0.554 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCNC1=O ZINC000665326963 419940010 /nfs/dbraw/zinc/94/00/10/419940010.db2.gz JLCYMUYUNPRVFI-RYUDHWBXSA-N 1 3 299.419 -0.554 20 0 CBADHO CCC[C@H]1CNCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000359227164 419952430 /nfs/dbraw/zinc/95/24/30/419952430.db2.gz VHWSSFRCROPDMA-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[NH+](C)C ZINC000361713489 420021267 /nfs/dbraw/zinc/02/12/67/420021267.db2.gz HFVOAXBFJKCFCV-LLVKDONJSA-N 1 3 282.392 0.516 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](C)C1 ZINC000364214867 420031505 /nfs/dbraw/zinc/03/15/05/420031505.db2.gz MPFABAJCRQHCAK-UMSGYPCISA-N 1 3 269.389 -0.054 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652237083 420054466 /nfs/dbraw/zinc/05/44/66/420054466.db2.gz GFWNTUAUSWQHMI-ZDUSSCGKSA-N 1 3 270.377 -0.519 20 0 CBADHO CN1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@H](CN)C1 ZINC000652231898 420054722 /nfs/dbraw/zinc/05/47/22/420054722.db2.gz JVKXIVKXOSXRRL-LLVKDONJSA-N 1 3 269.393 -0.600 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000652398415 420062235 /nfs/dbraw/zinc/06/22/35/420062235.db2.gz ANFQKYWBWKFJHR-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](CN)C1 ZINC000653055207 420112008 /nfs/dbraw/zinc/11/20/08/420112008.db2.gz VMXXNIVBMMNXBO-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000653112615 420115827 /nfs/dbraw/zinc/11/58/27/420115827.db2.gz DEDAAPZDFMJJSX-ZYHUDNBSSA-N 1 3 254.378 -0.382 20 0 CBADHO CN(C)[C@@]1(CNC(=O)[C@@H](N)CC[NH+](C)C)CCSC1 ZINC000653110691 420116199 /nfs/dbraw/zinc/11/61/99/420116199.db2.gz QUAMFLWHUGLTBN-WCQYABFASA-N 1 3 288.461 -0.181 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653105144 420116831 /nfs/dbraw/zinc/11/68/31/420116831.db2.gz HSVWKIDIQVPUAN-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117333 420118416 /nfs/dbraw/zinc/11/84/16/420118416.db2.gz IUYYYTWCIDDARZ-GUTXKFCHSA-N 1 3 279.384 -0.177 20 0 CBADHO C[C@H](CNC(=O)CC(F)(F)CN)C[NH+]1CCN(C)CC1 ZINC000653124599 420118572 /nfs/dbraw/zinc/11/85/72/420118572.db2.gz BNMBAUOLOXBQIT-LLVKDONJSA-N 1 3 292.374 -0.030 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653116841 420118805 /nfs/dbraw/zinc/11/88/05/420118805.db2.gz WENLMTXJZQXSRT-OLZOCXBDSA-N 1 3 286.420 -0.508 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653116842 420120583 /nfs/dbraw/zinc/12/05/83/420120583.db2.gz WENLMTXJZQXSRT-QWHCGFSZSA-N 1 3 286.420 -0.508 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123670 420120685 /nfs/dbraw/zinc/12/06/85/420120685.db2.gz DASQMPGYHLQMAI-OICBVUGWSA-N 1 3 279.384 -0.179 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653148753 420123533 /nfs/dbraw/zinc/12/35/33/420123533.db2.gz KCRMUSQGZAYHIP-VXGBXAGGSA-N 1 3 256.394 -0.182 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155879 420124420 /nfs/dbraw/zinc/12/44/20/420124420.db2.gz JWJYFCMIQALKKS-FZMZJTMJSA-N 1 3 267.373 -0.225 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCCC2(C[NH3+])CC2)CC1=O ZINC000653221212 420127765 /nfs/dbraw/zinc/12/77/65/420127765.db2.gz NAEYIAHRWHWNQC-LBPRGKRZSA-N 1 3 296.415 -0.358 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CC(F)F)C[C@H]1C[NH3+] ZINC000653247696 420129586 /nfs/dbraw/zinc/12/95/86/420129586.db2.gz NNDATHXNBGXKBP-IWSPIJDZSA-N 1 3 265.304 -0.209 20 0 CBADHO CCO[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000653243519 420130146 /nfs/dbraw/zinc/13/01/46/420130146.db2.gz FYCNRUNITUBZDK-JHJVBQTASA-N 1 3 285.388 -0.423 20 0 CBADHO CC1(OCC(=O)NCCC2CC[NH2+]CC2)CNC1 ZINC000653272704 420133165 /nfs/dbraw/zinc/13/31/65/420133165.db2.gz ZHGOYDMIWULNGE-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO CN1CCC[C@H](N[C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283969 420138001 /nfs/dbraw/zinc/13/80/01/420138001.db2.gz UTEUBTBAZRQVHT-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000652674838 420071160 /nfs/dbraw/zinc/07/11/60/420071160.db2.gz HEKJBNWHVRYODE-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652698876 420073232 /nfs/dbraw/zinc/07/32/32/420073232.db2.gz MAPIKUSYOXEAFI-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000652700994 420074863 /nfs/dbraw/zinc/07/48/63/420074863.db2.gz XNENWGGPLBEJHZ-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCNCC1 ZINC000652705230 420076112 /nfs/dbraw/zinc/07/61/12/420076112.db2.gz CCAPUYKDEPQZIY-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCCNCC1 ZINC000652705230 420076114 /nfs/dbraw/zinc/07/61/14/420076114.db2.gz CCAPUYKDEPQZIY-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370780530 420188068 /nfs/dbraw/zinc/18/80/68/420188068.db2.gz SVHKDPCSCOWFAO-CQSZACIVSA-N 1 3 286.395 -0.168 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000370224154 420173268 /nfs/dbraw/zinc/17/32/68/420173268.db2.gz YCGVRGSVGDZQPQ-QJPTWQEYSA-N 1 3 255.362 -0.300 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654344535 420173637 /nfs/dbraw/zinc/17/36/37/420173637.db2.gz OEXRLXIXLUGPBM-QWHCGFSZSA-N 1 3 284.404 -0.211 20 0 CBADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400235310 420221870 /nfs/dbraw/zinc/22/18/70/420221870.db2.gz USDDLAYPBPXAIQ-QWRGUYRKSA-N 1 3 279.406 -0.636 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000655245221 420233486 /nfs/dbraw/zinc/23/34/86/420233486.db2.gz FVPAMFDUFDDXRH-HZSPNIEDSA-N 1 3 280.416 -0.167 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295116 420237215 /nfs/dbraw/zinc/23/72/15/420237215.db2.gz SMLMJCVCHNBVNX-GRYCIOLGSA-N 1 3 253.346 -0.785 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295116 420237219 /nfs/dbraw/zinc/23/72/19/420237219.db2.gz SMLMJCVCHNBVNX-GRYCIOLGSA-N 1 3 253.346 -0.785 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418568862 420242420 /nfs/dbraw/zinc/24/24/20/420242420.db2.gz BPCRKPRQINCVOS-VXGBXAGGSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C[C@@H]1C[NH3+] ZINC000419111740 420243988 /nfs/dbraw/zinc/24/39/88/420243988.db2.gz UNLUOZBAQYQGPN-NEPJUHHUSA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419524952 420245947 /nfs/dbraw/zinc/24/59/47/420245947.db2.gz QQYCJGJBNZFBST-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419991900 420248185 /nfs/dbraw/zinc/24/81/85/420248185.db2.gz JAIPJNWEYFEHIU-GFCCVEGCSA-N 1 3 284.404 -0.217 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000655419325 420248429 /nfs/dbraw/zinc/24/84/29/420248429.db2.gz SICKEUWJYVCADS-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000420154053 420249330 /nfs/dbraw/zinc/24/93/30/420249330.db2.gz HXIZKUVKMIBDRU-UPJWGTAASA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345924 420252508 /nfs/dbraw/zinc/25/25/08/420252508.db2.gz WVXDKIMSGLYJTC-QWHCGFSZSA-N 1 3 294.399 -0.734 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655478183 420255462 /nfs/dbraw/zinc/25/54/62/420255462.db2.gz PFXPTGGXAWCADA-LOWVWBTDSA-N 1 3 253.346 -0.519 20 0 CBADHO COC[C@]1(C(=O)N[C@@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655518656 420262254 /nfs/dbraw/zinc/26/22/54/420262254.db2.gz JBUKFESAOPYIAK-CBAPKCEASA-N 1 3 269.267 -0.382 20 0 CBADHO CSCC[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430870039 420272394 /nfs/dbraw/zinc/27/23/94/420272394.db2.gz RUSWAEYIDGOWQJ-JTQLQIEISA-N 1 3 285.417 0.464 20 0 CBADHO CN(C)S(=O)(=O)CCCN[C@@](C)(C[NH3+])C1CC1 ZINC000430592538 420273467 /nfs/dbraw/zinc/27/34/67/420273467.db2.gz NCFAGLRHPBGXGW-NSHDSACASA-N 1 3 263.407 -0.015 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916741 420275930 /nfs/dbraw/zinc/27/59/30/420275930.db2.gz HMLFQJBUNWXJHH-IUCAKERBSA-N 1 3 298.309 -0.104 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655964115 420282180 /nfs/dbraw/zinc/28/21/80/420282180.db2.gz OTXDKZSRPIMOGE-SDDRHHMPSA-N 1 3 268.361 -0.801 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963156 420282271 /nfs/dbraw/zinc/28/22/71/420282271.db2.gz WQGNGANKRMKZDM-NWDGAFQWSA-N 1 3 268.361 -0.801 20 0 CBADHO [NH3+]C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655933084 420282652 /nfs/dbraw/zinc/28/26/52/420282652.db2.gz GGWIPETYPRTDFX-DJLDLDEBSA-N 1 3 296.293 -0.664 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655962855 420283335 /nfs/dbraw/zinc/28/33/35/420283335.db2.gz SIBOMYYAJBSGIV-FRRDWIJNSA-N 1 3 282.388 -0.554 20 0 CBADHO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655966412 420284097 /nfs/dbraw/zinc/28/40/97/420284097.db2.gz WGVWXWMBIFKKEC-ZDEQEGDKSA-N 1 3 282.388 -0.283 20 0 CBADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968920 420284501 /nfs/dbraw/zinc/28/45/01/420284501.db2.gz BBYRCURTRFOPGY-MELADBBJSA-N 1 3 296.415 -0.021 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655966409 420284713 /nfs/dbraw/zinc/28/47/13/420284713.db2.gz WGVWXWMBIFKKEC-FVCCEPFGSA-N 1 3 282.388 -0.283 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655970711 420285659 /nfs/dbraw/zinc/28/56/59/420285659.db2.gz XABCYBOPSRSMNE-FIQHERPVSA-N 1 3 270.377 -0.427 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968130 420285668 /nfs/dbraw/zinc/28/56/68/420285668.db2.gz NDBKFQMQBWVTRX-OUAUKWLOSA-N 1 3 256.350 -0.816 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019145 420291696 /nfs/dbraw/zinc/29/16/96/420291696.db2.gz AEVXZHQANGMXRE-RYUDHWBXSA-N 1 3 282.388 -0.416 20 0 CBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022154 420292762 /nfs/dbraw/zinc/29/27/62/420292762.db2.gz CKZPBWTWRJZTCY-RWMBFGLXSA-N 1 3 298.431 -0.068 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656021704 420292888 /nfs/dbraw/zinc/29/28/88/420292888.db2.gz HFWZGZQFBSGFJG-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019812 420292942 /nfs/dbraw/zinc/29/29/42/420292942.db2.gz KBRNBIDAERYCPM-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656023180 420293072 /nfs/dbraw/zinc/29/30/72/420293072.db2.gz XPQLARDNMVUCMF-IJLUTSLNSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022116 420293191 /nfs/dbraw/zinc/29/31/91/420293191.db2.gz BYNNOMFIQOONJA-FRRDWIJNSA-N 1 3 296.415 -0.027 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019608 420293334 /nfs/dbraw/zinc/29/33/34/420293334.db2.gz HNPRKPDFRSZYDA-GHMZBOCLSA-N 1 3 268.361 -0.806 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656023179 420293862 /nfs/dbraw/zinc/29/38/62/420293862.db2.gz XPQLARDNMVUCMF-GRYCIOLGSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022703 420293982 /nfs/dbraw/zinc/29/39/82/420293982.db2.gz KLABPLRMZHZSOI-UPJWGTAASA-N 1 3 296.415 -0.170 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000517373247 420376827 /nfs/dbraw/zinc/37/68/27/420376827.db2.gz QCGUHYMMZKWKJJ-GARJFASQSA-N 1 3 271.361 -0.099 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603149 420383660 /nfs/dbraw/zinc/38/36/60/420383660.db2.gz ZUDDIKDQNNKWOU-WFASDCNBSA-N 1 3 298.431 -0.460 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000519639031 420383950 /nfs/dbraw/zinc/38/39/50/420383950.db2.gz CYMGCPOEQMGBMT-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)N(C)C ZINC000519765107 420388216 /nfs/dbraw/zinc/38/82/16/420388216.db2.gz DCRLKWXKAHPJBG-TZMCWYRMSA-N 1 3 269.389 -0.101 20 0 CBADHO CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000658829922 420391040 /nfs/dbraw/zinc/39/10/40/420391040.db2.gz OMEBDTDVBWXHKS-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1CCN1CC[NH2+]CC1 ZINC000516927415 420365183 /nfs/dbraw/zinc/36/51/83/420365183.db2.gz LYMHMPGKLAYLQG-ZDUSSCGKSA-N 1 3 278.404 -0.728 20 0 CBADHO Cn1nncc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000674334314 544903535 /nfs/dbraw/zinc/90/35/35/544903535.db2.gz AVNGDAPNQRBLAE-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO Cn1nncc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000674334314 544903537 /nfs/dbraw/zinc/90/35/37/544903537.db2.gz AVNGDAPNQRBLAE-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000673660528 544884010 /nfs/dbraw/zinc/88/40/10/544884010.db2.gz ASPUNBNTOLYJJT-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCN(C)CC1 ZINC000673659622 544884095 /nfs/dbraw/zinc/88/40/95/544884095.db2.gz FGNWNMKQYCSEGY-UHFFFAOYSA-N 1 3 299.463 -0.814 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@@H](NC[C@H]2CCCCO2)C1=O ZINC000516935309 420367519 /nfs/dbraw/zinc/36/75/19/420367519.db2.gz SCMFGFWYJNOXSZ-VXGBXAGGSA-N 1 3 283.372 -0.166 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C1CC1 ZINC000534266059 420410413 /nfs/dbraw/zinc/41/04/13/420410413.db2.gz GGRNFZVKNHOWTA-KGLIPLIRSA-N 1 3 280.416 -0.167 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000420109720 287626908 /nfs/dbraw/zinc/62/69/08/287626908.db2.gz DSXBQVFIEJZVFS-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000659431864 420419272 /nfs/dbraw/zinc/41/92/72/420419272.db2.gz QRZVBWSRBMHCCF-LBPRGKRZSA-N 1 3 285.436 -0.081 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659447180 420419954 /nfs/dbraw/zinc/41/99/54/420419954.db2.gz XJTVDPGVAAPLGE-SECBINFHSA-N 1 3 296.375 -0.220 20 0 CBADHO COCCN(C)CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659448326 420420533 /nfs/dbraw/zinc/42/05/33/420420533.db2.gz BQKMLVXNVFYKCB-UHFFFAOYSA-N 1 3 270.377 -0.303 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000659458820 420421847 /nfs/dbraw/zinc/42/18/47/420421847.db2.gz UKDKQTPXHQDNEL-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000659325174 420413513 /nfs/dbraw/zinc/41/35/13/420413513.db2.gz MNIPZHNUAVHQTD-LLVKDONJSA-N 1 3 286.339 -0.233 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[NH2+]C1CC1 ZINC000659359706 420416058 /nfs/dbraw/zinc/41/60/58/420416058.db2.gz VGCNYWIARRNBIT-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659358661 420416273 /nfs/dbraw/zinc/41/62/73/420416273.db2.gz SKCNPHKYDPORET-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCO)CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659574033 420434538 /nfs/dbraw/zinc/43/45/38/420434538.db2.gz YISHXOVKXGEXCR-UHFFFAOYSA-N 1 3 272.393 -0.129 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659573404 420434669 /nfs/dbraw/zinc/43/46/69/420434669.db2.gz NGTZVNURUANBKC-ZDUSSCGKSA-N 1 3 270.377 -0.376 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000354784818 230235190 /nfs/dbraw/zinc/23/51/90/230235190.db2.gz FIGNOEFOHNRINI-UHFFFAOYSA-N 1 3 258.366 -0.974 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000659527260 420428653 /nfs/dbraw/zinc/42/86/53/420428653.db2.gz KIJWQCNLPWYJFG-LBPRGKRZSA-N 1 3 299.419 -0.615 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659534345 420429992 /nfs/dbraw/zinc/42/99/92/420429992.db2.gz SFEMQCGKBSBXTF-SCZZXKLOSA-N 1 3 294.359 -0.562 20 0 CBADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H](C)[NH3+] ZINC000659547397 420432265 /nfs/dbraw/zinc/43/22/65/420432265.db2.gz CODYPNPCRGRGGA-WDEREUQCSA-N 1 3 287.408 -0.617 20 0 CBADHO Nc1nccc([C@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1 ZINC000578893095 420467882 /nfs/dbraw/zinc/46/78/82/420467882.db2.gz ZSTGXEXBWDSQGT-ZDUSSCGKSA-N 1 3 290.415 0.143 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000659752636 420468696 /nfs/dbraw/zinc/46/86/96/420468696.db2.gz KVKFOPUXLQRXRC-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCCNc1ccncc1 ZINC000659635209 420440234 /nfs/dbraw/zinc/44/02/34/420440234.db2.gz BIJSSUCQURDJAI-JTQLQIEISA-N 1 3 251.334 -0.178 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000659639049 420441687 /nfs/dbraw/zinc/44/16/87/420441687.db2.gz JINMSPMXOJKFJF-CHWSQXEVSA-N 1 3 285.436 -0.081 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000659636369 420441704 /nfs/dbraw/zinc/44/17/04/420441704.db2.gz KTASKMFITLHSGN-CYBMUJFWSA-N 1 3 285.436 -0.127 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000659641846 420443151 /nfs/dbraw/zinc/44/31/51/420443151.db2.gz ISGLXTULKMZKAT-RYUDHWBXSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000566194221 420444293 /nfs/dbraw/zinc/44/42/93/420444293.db2.gz WQIXYVGFTPKCDF-WDEREUQCSA-N 1 3 265.361 0.381 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000659677513 420447743 /nfs/dbraw/zinc/44/77/43/420447743.db2.gz DMLJJLTZWBRJII-AXFHLTTASA-N 1 3 270.377 -0.691 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000659688922 420449870 /nfs/dbraw/zinc/44/98/70/420449870.db2.gz OJKWJEYCIVFPNO-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659691096 420450401 /nfs/dbraw/zinc/45/04/01/420450401.db2.gz HLUHKMZTYLQTQQ-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1=CCN(C)CC1 ZINC000659701422 420451730 /nfs/dbraw/zinc/45/17/30/420451730.db2.gz DRBVEDPPNHHAMH-LLVKDONJSA-N 1 3 296.415 -0.051 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000659699525 420451911 /nfs/dbraw/zinc/45/19/11/420451911.db2.gz WIXCFAMYRQQDGV-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659704283 420452494 /nfs/dbraw/zinc/45/24/94/420452494.db2.gz JLKYTLMOZMPOJB-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659705226 420452755 /nfs/dbraw/zinc/45/27/55/420452755.db2.gz UIMXLXDZNPGVFP-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(NC1CNC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659714002 420455725 /nfs/dbraw/zinc/45/57/25/420455725.db2.gz INCVFHZHOXDRKG-NSHDSACASA-N 1 3 294.399 -0.402 20 0 CBADHO O=C(NC1CNC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659714002 420455729 /nfs/dbraw/zinc/45/57/29/420455729.db2.gz INCVFHZHOXDRKG-NSHDSACASA-N 1 3 294.399 -0.402 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659714019 420455856 /nfs/dbraw/zinc/45/58/56/420455856.db2.gz IOSXFXRJRBFAKY-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659713182 420456197 /nfs/dbraw/zinc/45/61/97/420456197.db2.gz FBFYQHREDOBGPU-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1CNC1 ZINC000659715395 420456815 /nfs/dbraw/zinc/45/68/15/420456815.db2.gz TUDXPJUQVMZOLL-UHFFFAOYSA-N 1 3 294.399 -0.687 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000659715460 420457042 /nfs/dbraw/zinc/45/70/42/420457042.db2.gz PFQCAWYSQVBCPG-VHSXEESVSA-N 1 3 256.350 -0.950 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659715388 420457223 /nfs/dbraw/zinc/45/72/23/420457223.db2.gz SYXVVRUBYCZENQ-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714709 420457455 /nfs/dbraw/zinc/45/74/55/420457455.db2.gz LWVAXLJAYJZFDQ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000659718538 420458046 /nfs/dbraw/zinc/45/80/46/420458046.db2.gz QWLXQOSDVDIZKJ-ZJUUUORDSA-N 1 3 256.350 -0.950 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000659717502 420458257 /nfs/dbraw/zinc/45/82/57/420458257.db2.gz HZTOQQIQGZDDGY-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659716123 420458424 /nfs/dbraw/zinc/45/84/24/420458424.db2.gz WEIXUFZCDUCGMY-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659719662 420458846 /nfs/dbraw/zinc/45/88/46/420458846.db2.gz JJLPZQHLTCKPSS-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659725989 420460231 /nfs/dbraw/zinc/46/02/31/420460231.db2.gz GJCXNSSNYOHXFQ-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000659724748 420460389 /nfs/dbraw/zinc/46/03/89/420460389.db2.gz QPQXXXVFQWANSS-UPJWGTAASA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731260 420460922 /nfs/dbraw/zinc/46/09/22/420460922.db2.gz BXDFIQMXMBUQNG-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735268 420462167 /nfs/dbraw/zinc/46/21/67/420462167.db2.gz QVXAQYSLAQAMDA-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000659738303 420463392 /nfs/dbraw/zinc/46/33/92/420463392.db2.gz DMMIOZPRDLNDDE-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000659738283 420463431 /nfs/dbraw/zinc/46/34/31/420463431.db2.gz DGZVYXTZNWPHJU-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659738181 420463830 /nfs/dbraw/zinc/46/38/30/420463830.db2.gz BEEVMHMUEKHYQL-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000659738213 420463914 /nfs/dbraw/zinc/46/39/14/420463914.db2.gz BVDBSXHWIAIURM-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000659739488 420464374 /nfs/dbraw/zinc/46/43/74/420464374.db2.gz VYZGKFYPYTVKPK-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000659739485 420464979 /nfs/dbraw/zinc/46/49/79/420464979.db2.gz VRLBTVPICYSMCI-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000659749962 420466957 /nfs/dbraw/zinc/46/69/57/420466957.db2.gz KYSDTSYOCSIBQO-UTUOFQBUSA-N 1 3 282.388 -0.594 20 0 CBADHO O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)[C@]1(F)CCNC1 ZINC000583621420 420473896 /nfs/dbraw/zinc/47/38/96/420473896.db2.gz HEMWWOSDFAOOQD-CABZTGNLSA-N 1 3 267.308 0.058 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000518186060 260351999 /nfs/dbraw/zinc/35/19/99/260351999.db2.gz YGWHMQUJPWGRIR-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)C[C@H](CN)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000519122961 265326673 /nfs/dbraw/zinc/32/66/73/265326673.db2.gz LGQPOGXKLJVSJB-GFCCVEGCSA-N 1 3 286.420 -0.114 20 0 CBADHO O=C(N1CCNCC1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000530221520 269639946 /nfs/dbraw/zinc/63/99/46/269639946.db2.gz FRQWYCFRWNEWHQ-AWEZNQCLSA-N 1 3 295.431 -0.371 20 0 CBADHO CCN(CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000351555307 276125430 /nfs/dbraw/zinc/12/54/30/276125430.db2.gz LHKGBHSUMWETMS-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430784628 276307060 /nfs/dbraw/zinc/30/70/60/276307060.db2.gz QZUGIMYPQRZULN-LLVKDONJSA-N 1 3 255.362 -0.225 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430784628 276307062 /nfs/dbraw/zinc/30/70/62/276307062.db2.gz QZUGIMYPQRZULN-LLVKDONJSA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419887918 276867491 /nfs/dbraw/zinc/86/74/91/276867491.db2.gz JSMLUWPRCQNNQW-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[N@H+](C[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562523 545082178 /nfs/dbraw/zinc/08/21/78/545082178.db2.gz RBBROGDYIKBNLC-HRCADAONSA-N 1 3 297.443 -0.028 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000685562523 545082179 /nfs/dbraw/zinc/08/21/79/545082179.db2.gz RBBROGDYIKBNLC-HRCADAONSA-N 1 3 297.443 -0.028 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000419245060 277039655 /nfs/dbraw/zinc/03/96/55/277039655.db2.gz VCTOCWWCCVAZGH-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000420021001 278248355 /nfs/dbraw/zinc/24/83/55/278248355.db2.gz GRGPEWNTXIFGKK-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351546309 278252490 /nfs/dbraw/zinc/25/24/90/278252490.db2.gz YREMMGNVTFAMGZ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000418843046 278612930 /nfs/dbraw/zinc/61/29/30/278612930.db2.gz RBPDIRXLNRPGGI-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)C ZINC000423724893 278921841 /nfs/dbraw/zinc/92/18/41/278921841.db2.gz RXYRATAQKLZYDX-NWDGAFQWSA-N 1 3 256.394 -0.264 20 0 CBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000419150117 278976319 /nfs/dbraw/zinc/97/63/19/278976319.db2.gz LUOPYNQGVYVONU-RYUDHWBXSA-N 1 3 286.420 -0.068 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418952165 279114564 /nfs/dbraw/zinc/11/45/64/279114564.db2.gz VGZPDLHLXYDHPT-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419784566 279154902 /nfs/dbraw/zinc/15/49/02/279154902.db2.gz RATPNMHBVPWVKP-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419596373 279268339 /nfs/dbraw/zinc/26/83/39/279268339.db2.gz YADWEWAPNASUBV-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419595432 279279227 /nfs/dbraw/zinc/27/92/27/279279227.db2.gz WUIVINNZZOENTC-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420021105 279306419 /nfs/dbraw/zinc/30/64/19/279306419.db2.gz UALRVIBLLUNRPC-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420141096 279307575 /nfs/dbraw/zinc/30/75/75/279307575.db2.gz JETFXMRYXBKURQ-XQQFMLRXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187885956 279335402 /nfs/dbraw/zinc/33/54/02/279335402.db2.gz IFUUOHIOAGXXPC-SDDRHHMPSA-N 1 3 255.362 -0.036 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424162303 279359111 /nfs/dbraw/zinc/35/91/11/279359111.db2.gz ZKSXNKJEIAWLJH-XQQFMLRXSA-N 1 3 268.405 -0.277 20 0 CBADHO C[NH2+]CCC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000576819483 335251242 /nfs/dbraw/zinc/25/12/42/335251242.db2.gz HLEUMPZTSGNJRW-LBPRGKRZSA-N 1 3 257.378 -0.195 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419998007 280283473 /nfs/dbraw/zinc/28/34/73/280283473.db2.gz MHKIXVSFCBIHMT-NWDGAFQWSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332560514 288307646 /nfs/dbraw/zinc/30/76/46/288307646.db2.gz QDUZRLOOQKOVTD-AGIUHOORSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCC1 ZINC000419220069 282027589 /nfs/dbraw/zinc/02/75/89/282027589.db2.gz BBXDRNGSYXMIIU-NSHDSACASA-N 1 3 282.388 -0.560 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423058946 289126487 /nfs/dbraw/zinc/12/64/87/289126487.db2.gz DKNGTVRKVPPVQU-YNEHKIRRSA-N 1 3 296.415 -0.408 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420089925 289127437 /nfs/dbraw/zinc/12/74/37/289127437.db2.gz SSXLMJXZPKJEEQ-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351760003 289127797 /nfs/dbraw/zinc/12/77/97/289127797.db2.gz FJWMZCYOKZSRMR-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000332314495 289304401 /nfs/dbraw/zinc/30/44/01/289304401.db2.gz NJPJGENRJJGSKN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420066184 289368547 /nfs/dbraw/zinc/36/85/47/289368547.db2.gz QSKCUMCUJXPVHR-NWDGAFQWSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@@H]21 ZINC000418679085 290163528 /nfs/dbraw/zinc/16/35/28/290163528.db2.gz WKKHGCMSYUIMNY-GCHJQGSQSA-N 1 3 250.346 -0.450 20 0 CBADHO CN1CC[C@]2(CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000418675994 290249447 /nfs/dbraw/zinc/24/94/47/290249447.db2.gz SDIMHSLBSGPMJP-SFTQSGBHSA-N 1 3 264.373 -0.059 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@H]1[NH+](C)C ZINC000124718964 300096781 /nfs/dbraw/zinc/09/67/81/300096781.db2.gz IVPBLLOWFNAMES-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO C[NH+](C)CCOCCNC(=O)[C@H](N)CC(F)F ZINC000379818101 335091163 /nfs/dbraw/zinc/09/11/63/335091163.db2.gz ROWIIPNIKMXBNF-MRVPVSSYSA-N 1 3 253.293 -0.337 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423151630 295317659 /nfs/dbraw/zinc/31/76/59/295317659.db2.gz KHHJQDCYHWDBRH-OLZOCXBDSA-N 1 3 294.399 -0.367 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000354688543 295475571 /nfs/dbraw/zinc/47/55/71/295475571.db2.gz JCYWPWZNTVAMBJ-LBPRGKRZSA-N 1 3 282.388 -0.543 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419126843 298579188 /nfs/dbraw/zinc/57/91/88/298579188.db2.gz YNCZWUOARLXZIC-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000228474807 303268754 /nfs/dbraw/zinc/26/87/54/303268754.db2.gz YWAPKDCRXBNIAW-AEJSXWLSSA-N 1 3 254.334 -0.369 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000132200910 303382982 /nfs/dbraw/zinc/38/29/82/303382982.db2.gz JHGYFHMQYBOIPF-GXFFZTMASA-N 1 3 286.351 -0.999 20 0 CBADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364726620 303427213 /nfs/dbraw/zinc/42/72/13/303427213.db2.gz ZKRCGXOPSUMFAQ-PSASIEDQSA-N 1 3 263.345 -0.087 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368561133 303645531 /nfs/dbraw/zinc/64/55/31/303645531.db2.gz JZGAEQRMHZPWLV-TZMCWYRMSA-N 1 3 267.373 -0.033 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CCC(=O)OC)C1 ZINC000584350116 328730470 /nfs/dbraw/zinc/73/04/70/328730470.db2.gz OZMMKSLBGDIXBG-NXEZZACHSA-N 1 3 257.334 -0.523 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N(C)CCC[NH3+])CCC1 ZINC000580098000 327698239 /nfs/dbraw/zinc/69/82/39/327698239.db2.gz SZZNCBSUYHBFEH-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563116122 327925772 /nfs/dbraw/zinc/92/57/72/327925772.db2.gz ZIUDNWASYXTLMU-ZJUUUORDSA-N 1 3 279.344 -0.795 20 0 CBADHO CCCN(C)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563442404 328066794 /nfs/dbraw/zinc/06/67/94/328066794.db2.gz QNMBHITYIDUJTI-GHMZBOCLSA-N 1 3 268.361 -0.901 20 0 CBADHO C[NH2+]CC1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000571165902 328090087 /nfs/dbraw/zinc/09/00/87/328090087.db2.gz UOQDGBOPHWUNFN-ZDUSSCGKSA-N 1 3 284.404 -0.456 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571283969 328097694 /nfs/dbraw/zinc/09/76/94/328097694.db2.gz JQBTWOURADSYPQ-QJPTWQEYSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000571316106 328104859 /nfs/dbraw/zinc/10/48/59/328104859.db2.gz TTWXZYSGTGNPRR-RYUDHWBXSA-N 1 3 257.378 -0.066 20 0 CBADHO CC[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000571316106 328104857 /nfs/dbraw/zinc/10/48/57/328104857.db2.gz TTWXZYSGTGNPRR-RYUDHWBXSA-N 1 3 257.378 -0.066 20 0 CBADHO [NH3+]CC[C@H](NC(=O)C[C@H]1CNCCO1)C(F)F ZINC000571325949 328107384 /nfs/dbraw/zinc/10/73/84/328107384.db2.gz XZKQLCRCLGMGDV-YUMQZZPRSA-N 1 3 251.277 -0.536 20 0 CBADHO [NH3+]CC[C@H](NC(=O)C[C@@H]1CNCCO1)C(F)F ZINC000571325948 328107424 /nfs/dbraw/zinc/10/74/24/328107424.db2.gz XZKQLCRCLGMGDV-SFYZADRCSA-N 1 3 251.277 -0.536 20 0 CBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CNC1 ZINC000571423133 328120926 /nfs/dbraw/zinc/12/09/26/328120926.db2.gz XODUBGGMKBLXSS-UHFFFAOYSA-N 1 3 282.388 -0.591 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)N2CCCC2)C1 ZINC000161068192 328124215 /nfs/dbraw/zinc/12/42/15/328124215.db2.gz SBCLZFHJXJIPJZ-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000571560442 328134118 /nfs/dbraw/zinc/13/41/18/328134118.db2.gz LKVSGCQYHYPHQD-IUCAKERBSA-N 1 3 282.310 -0.324 20 0 CBADHO CC[N@H+](CCNC[C@@H](O)CN1CCN(C)CC1)C(C)C ZINC000571634488 328151047 /nfs/dbraw/zinc/15/10/47/328151047.db2.gz TXBMUKFFYFMQKW-OAHLLOKOSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[N@@H+](CCNC[C@@H](O)CN1CCN(C)CC1)C(C)C ZINC000571634488 328151048 /nfs/dbraw/zinc/15/10/48/328151048.db2.gz TXBMUKFFYFMQKW-OAHLLOKOSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC[NH2+]C[C@@H](O)CN1CCN(C)CC1)C(C)C ZINC000571634488 328151050 /nfs/dbraw/zinc/15/10/50/328151050.db2.gz TXBMUKFFYFMQKW-OAHLLOKOSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000582797589 329209313 /nfs/dbraw/zinc/20/93/13/329209313.db2.gz VGZUDPOQIMGNIS-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO COC[C@]1(C(=O)NCCOCCN(C)C)CC[NH2+]C1 ZINC000388777869 328301576 /nfs/dbraw/zinc/30/15/76/328301576.db2.gz MSTSFYBEACWOBY-ZDUSSCGKSA-N 1 3 273.377 -0.693 20 0 CBADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)N(C)C1CC1 ZINC000583132920 329319013 /nfs/dbraw/zinc/31/90/13/329319013.db2.gz KJPUDSQMWAAMSG-DGCLKSJQSA-N 1 3 283.420 -0.328 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000584230293 327070211 /nfs/dbraw/zinc/07/02/11/327070211.db2.gz WPGZQXVYUGUHLK-BXUZGUMPSA-N 1 3 283.372 -0.131 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000584230294 327070317 /nfs/dbraw/zinc/07/03/17/327070317.db2.gz WPGZQXVYUGUHLK-FZMZJTMJSA-N 1 3 283.372 -0.131 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000584230296 327070321 /nfs/dbraw/zinc/07/03/21/327070321.db2.gz WPGZQXVYUGUHLK-SMDDNHRTSA-N 1 3 283.372 -0.131 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CCN1C ZINC000558207335 327078602 /nfs/dbraw/zinc/07/86/02/327078602.db2.gz BIUCICWZPKVIHH-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CCN1C ZINC000558207333 327078623 /nfs/dbraw/zinc/07/86/23/327078623.db2.gz BIUCICWZPKVIHH-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381057462 327092420 /nfs/dbraw/zinc/09/24/20/327092420.db2.gz UHGOBESFQOANEZ-BBBLOLIVSA-N 1 3 254.334 -0.499 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC(=O)NCC1CC1 ZINC000559189753 327145416 /nfs/dbraw/zinc/14/54/16/327145416.db2.gz AYAWLWMFLLSCIT-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C(=O)COC1CNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564654955 327186406 /nfs/dbraw/zinc/18/64/06/327186406.db2.gz FCMBADAGJKAPRW-ZACCUICWSA-N 1 3 253.346 -0.284 20 0 CBADHO O=C(CCOC1C[NH2+]C1)N1CCN2CCC1CC2 ZINC000564936673 327195116 /nfs/dbraw/zinc/19/51/16/327195116.db2.gz PZBJUHCFVZOVNG-UHFFFAOYSA-N 1 3 253.346 -0.329 20 0 CBADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000564937701 327196080 /nfs/dbraw/zinc/19/60/80/327196080.db2.gz MPAMJTVPEPXDOH-ZDUSSCGKSA-N 1 3 278.356 -0.067 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC[C@H](O)CN1CCN(C)CC1 ZINC000584286631 327218453 /nfs/dbraw/zinc/21/84/53/327218453.db2.gz AHMORNLHKDLWMG-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC)[C@H](C)C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000584286631 327218454 /nfs/dbraw/zinc/21/84/54/327218454.db2.gz AHMORNLHKDLWMG-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000566252288 327263210 /nfs/dbraw/zinc/26/32/10/327263210.db2.gz WVZYNSWWMGZJBC-DZGCQCFKSA-N 1 3 296.415 -0.312 20 0 CBADHO NS(=O)(=O)[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000564988330 327339906 /nfs/dbraw/zinc/33/99/06/327339906.db2.gz DKLAZNUUMLDBMU-LLVKDONJSA-N 1 3 261.391 -0.261 20 0 CBADHO CC(C)[NH+](CCNC(=O)C(=O)NC1CNC1)C(C)C ZINC000561244625 327378477 /nfs/dbraw/zinc/37/84/77/327378477.db2.gz IIPGQPVWYLVCDA-UHFFFAOYSA-N 1 3 270.377 -0.691 20 0 CBADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000561256817 327379986 /nfs/dbraw/zinc/37/99/86/327379986.db2.gz PGKVIPCDJDGPJA-UHFFFAOYSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000561256817 327379988 /nfs/dbraw/zinc/37/99/88/327379988.db2.gz PGKVIPCDJDGPJA-UHFFFAOYSA-N 1 3 296.415 -0.347 20 0 CBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000569694469 327536386 /nfs/dbraw/zinc/53/63/86/327536386.db2.gz VGIOQDBNSXSOJH-LLVKDONJSA-N 1 3 298.368 -0.776 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000569695795 327536708 /nfs/dbraw/zinc/53/67/08/327536708.db2.gz LVYRIAIUMRHJEC-AAEUAGOBSA-N 1 3 284.404 -0.327 20 0 CBADHO CO[C@H](CN)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000569838257 327550755 /nfs/dbraw/zinc/55/07/55/327550755.db2.gz PONCMLQMHDQJEF-LLVKDONJSA-N 1 3 253.302 -0.064 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000572635938 327563422 /nfs/dbraw/zinc/56/34/22/327563422.db2.gz NIPJSVGRBPXXMG-ZDUSSCGKSA-N 1 3 296.415 -0.153 20 0 CBADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000570395291 327587572 /nfs/dbraw/zinc/58/75/72/327587572.db2.gz JAQXIWGNTNWYFQ-STQMWFEESA-N 1 3 263.341 -0.167 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC[NH3+])nn1 ZINC000394295138 329116656 /nfs/dbraw/zinc/11/66/56/329116656.db2.gz AKBNMGRUMQJTSY-NEPJUHHUSA-N 1 3 292.387 -0.064 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582737621 329134237 /nfs/dbraw/zinc/13/42/37/329134237.db2.gz OUYSEUBNJUXBIG-LLVKDONJSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H]1CCCN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000582840383 329276652 /nfs/dbraw/zinc/27/66/52/329276652.db2.gz ULDXTQNXLGCBPP-JKSUJKDBSA-N 1 3 298.475 -0.084 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583321130 329450887 /nfs/dbraw/zinc/45/08/87/329450887.db2.gz LXNFPBSFKMXTJA-LBPRGKRZSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000583811084 329480846 /nfs/dbraw/zinc/48/08/46/329480846.db2.gz AHGYYYXAPFRHAD-JTQLQIEISA-N 1 3 268.361 -0.948 20 0 CBADHO N[C@H](C(=O)NCCCN1CC[NH2+]CC1)C1CCC1 ZINC000571760916 329917846 /nfs/dbraw/zinc/91/78/46/329917846.db2.gz UYUULBLUAICWRS-LBPRGKRZSA-N 1 3 254.378 -0.475 20 0 CBADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000571985956 329935046 /nfs/dbraw/zinc/93/50/46/329935046.db2.gz UJUZZONWQLBILT-UHFFFAOYSA-N 1 3 296.415 -0.345 20 0 CBADHO NC[C@H](C(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000572361977 330002501 /nfs/dbraw/zinc/00/25/01/330002501.db2.gz NFTHEOLQQBHTCR-AWEZNQCLSA-N 1 3 294.374 -0.111 20 0 CBADHO CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580450694 330138150 /nfs/dbraw/zinc/13/81/50/330138150.db2.gz OJNPWANTPRDSNX-GHMZBOCLSA-N 1 3 268.361 -0.855 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000576015626 335141908 /nfs/dbraw/zinc/14/19/08/335141908.db2.gz DPJGKNAGLPKHKB-AAEUAGOBSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576092318 335152093 /nfs/dbraw/zinc/15/20/93/335152093.db2.gz HLMXRUPAASQVGR-WOPDTQHZSA-N 1 3 254.378 -0.606 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000576108983 335155679 /nfs/dbraw/zinc/15/56/79/335155679.db2.gz HLVJOZYUDYGIPU-HZSPNIEDSA-N 1 3 280.416 -0.119 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000576157917 335161968 /nfs/dbraw/zinc/16/19/68/335161968.db2.gz WGCLTCRECBHQRP-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000576160436 335162420 /nfs/dbraw/zinc/16/24/20/335162420.db2.gz HFMXKYIUGBRPIK-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000564840533 334523481 /nfs/dbraw/zinc/52/34/81/334523481.db2.gz QAEOZZGQNUVSOF-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565845424 334602629 /nfs/dbraw/zinc/60/26/29/334602629.db2.gz YXPTXKAWTQUPBL-GHMZBOCLSA-N 1 3 297.403 -0.543 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000566180098 334632863 /nfs/dbraw/zinc/63/28/63/334632863.db2.gz SAWLGMMKJXSQJQ-ZIAGYGMSSA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566189416 334634056 /nfs/dbraw/zinc/63/40/56/334634056.db2.gz IRFATLNZTKHFTM-WCQYABFASA-N 1 3 266.389 -0.367 20 0 CBADHO C[C@]1(CNC[C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229749 334637168 /nfs/dbraw/zinc/63/71/68/334637168.db2.gz MOAPDUFBLZMQRC-NEPJUHHUSA-N 1 3 275.418 -0.143 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566236619 334637701 /nfs/dbraw/zinc/63/77/01/334637701.db2.gz HQHGRAZXGBPEEN-GHMZBOCLSA-N 1 3 272.393 -0.314 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572195 334656113 /nfs/dbraw/zinc/65/61/13/334656113.db2.gz AHIIZLSDSJAQEN-UTUOFQBUSA-N 1 3 295.387 -0.918 20 0 CBADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567587623 334737596 /nfs/dbraw/zinc/73/75/96/334737596.db2.gz XQVWYGIBEUVCSQ-WDEREUQCSA-N 1 3 255.362 -0.062 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000567834824 334766343 /nfs/dbraw/zinc/76/63/43/334766343.db2.gz HMQMAXUUUOQLKV-LBPRGKRZSA-N 1 3 293.371 -0.207 20 0 CBADHO C[C@@H](NC(=O)CCOC1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000568076351 334790165 /nfs/dbraw/zinc/79/01/65/334790165.db2.gz GCHLPUGHJITBHF-GHMZBOCLSA-N 1 3 255.362 -0.131 20 0 CBADHO CN(C)CCn1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000568195665 334803407 /nfs/dbraw/zinc/80/34/07/334803407.db2.gz NILQGJXUFBCJPA-CQSZACIVSA-N 1 3 297.403 -0.513 20 0 CBADHO CN[C@@H](C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000568413734 334823910 /nfs/dbraw/zinc/82/39/10/334823910.db2.gz OZSOAKBDNGWBFQ-DTWKUNHWSA-N 1 3 282.310 -0.453 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000572977162 334897111 /nfs/dbraw/zinc/89/71/11/334897111.db2.gz LQMSAUACBVGWAE-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000576463547 335206931 /nfs/dbraw/zinc/20/69/31/335206931.db2.gz OSSMPHUHONFYST-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000576515408 335213332 /nfs/dbraw/zinc/21/33/32/335213332.db2.gz OWOYOLLCXUGRHV-OLZOCXBDSA-N 1 3 269.389 -0.195 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)COC2CNC2)CC1 ZINC000576517459 335213860 /nfs/dbraw/zinc/21/38/60/335213860.db2.gz NBJKKXNNYWABII-XYPYZODXSA-N 1 3 255.362 -0.144 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC1CNC1)C[NH+]1CCCCC1 ZINC000576809462 335249945 /nfs/dbraw/zinc/24/99/45/335249945.db2.gz URXSGYLNNLXLDF-NSHDSACASA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000576943371 335267322 /nfs/dbraw/zinc/26/73/22/335267322.db2.gz FILREGIJNKYZPG-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992344 335275100 /nfs/dbraw/zinc/27/51/00/335275100.db2.gz JXKANTCHGAVKTQ-BNOWGMLFSA-N 1 3 272.389 -0.181 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@@H](CO)[C@@H]1CCCOC1)C1CC1 ZINC000576992344 335275101 /nfs/dbraw/zinc/27/51/01/335275101.db2.gz JXKANTCHGAVKTQ-BNOWGMLFSA-N 1 3 272.389 -0.181 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N1CCNCC1 ZINC000580565106 335287160 /nfs/dbraw/zinc/28/71/60/335287160.db2.gz VKOLVILZVHSILM-LBPRGKRZSA-N 1 3 268.405 -0.214 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N1CCNCC1 ZINC000580565105 335287188 /nfs/dbraw/zinc/28/71/88/335287188.db2.gz VKOLVILZVHSILM-GFCCVEGCSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577270575 335332710 /nfs/dbraw/zinc/33/27/10/335332710.db2.gz NEFKJEMIQRAJBL-RAIGVLPGSA-N 1 3 294.399 -0.465 20 0 CBADHO COC[C@]1(CNC(=O)CCOC2CNC2)CCC[NH2+]1 ZINC000577385265 335346192 /nfs/dbraw/zinc/34/61/92/335346192.db2.gz IPRDHCZXHDBFGO-CYBMUJFWSA-N 1 3 271.361 -0.750 20 0 CBADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000577509817 335362463 /nfs/dbraw/zinc/36/24/63/335362463.db2.gz UDBBQGRPVCLKCV-VXGBXAGGSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000577509817 335362464 /nfs/dbraw/zinc/36/24/64/335362464.db2.gz UDBBQGRPVCLKCV-VXGBXAGGSA-N 1 3 295.387 -0.966 20 0 CBADHO COCCNCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000577512381 335363063 /nfs/dbraw/zinc/36/30/63/335363063.db2.gz ODXZZYGLHBILJR-ZETCQYMHSA-N 1 3 257.256 -0.382 20 0 CBADHO CN(C)CCOCCNC(=O)COC1CCC([NH3+])CC1 ZINC000577727269 335392934 /nfs/dbraw/zinc/39/29/34/335392934.db2.gz ASKMPZBJAHLBOQ-UHFFFAOYSA-N 1 3 287.404 -0.033 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964062 335441264 /nfs/dbraw/zinc/44/12/64/335441264.db2.gz XHWFZLYOZQOBRW-QCNOEVLYSA-N 1 3 280.372 -0.726 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000578015914 335461120 /nfs/dbraw/zinc/46/11/20/335461120.db2.gz BOLYIAIPBHJDHD-TXEJJXNPSA-N 1 3 254.378 -0.523 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000578887219 335686104 /nfs/dbraw/zinc/68/61/04/335686104.db2.gz OHRCSVNTSLCVPR-STQMWFEESA-N 1 3 287.404 -0.441 20 0 CBADHO C[C@H]1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740425 335961516 /nfs/dbraw/zinc/96/15/16/335961516.db2.gz NSUNMYUZTNGIMY-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO COC[C@]1(C(=O)NCCCN2CCC(O)CC2)CC[NH2+]C1 ZINC000581129906 336012440 /nfs/dbraw/zinc/01/24/40/336012440.db2.gz KDRNRAOOAJXWMJ-HNNXBMFYSA-N 1 3 299.415 -0.425 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479058 336086302 /nfs/dbraw/zinc/08/63/02/336086302.db2.gz URMMPGRJGQZBJH-NEPJUHHUSA-N 1 3 294.399 -0.321 20 0 CBADHO C[N@H+](C[C@@H](O)CNCC(C)(C)OCCO)C1CC1 ZINC000386465777 336175460 /nfs/dbraw/zinc/17/54/60/336175460.db2.gz TYWGXOZZBIHTAO-LBPRGKRZSA-N 1 3 260.378 -0.181 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)OCCO)C1CC1 ZINC000386465777 336175461 /nfs/dbraw/zinc/17/54/61/336175461.db2.gz TYWGXOZZBIHTAO-LBPRGKRZSA-N 1 3 260.378 -0.181 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]([NH3+])CCSC ZINC000061380440 523596254 /nfs/dbraw/zinc/59/62/54/523596254.db2.gz LEMYQRMSDNPJAV-JTQLQIEISA-N 1 3 263.407 -0.239 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000158861749 527667773 /nfs/dbraw/zinc/66/77/73/527667773.db2.gz JZQRCCJJOLEHKM-GFCCVEGCSA-N 1 3 258.341 -0.901 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000158861619 527668091 /nfs/dbraw/zinc/66/80/91/527668091.db2.gz JZQRCCJJOLEHKM-LBPRGKRZSA-N 1 3 258.341 -0.901 20 0 CBADHO CCN1CCN(CCNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491861334 529145174 /nfs/dbraw/zinc/14/51/74/529145174.db2.gz ACXYIKFNQCFLPI-AATRIKPKSA-N 1 3 268.405 -0.142 20 0 CBADHO CCN1CCN(CCNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491861336 529145379 /nfs/dbraw/zinc/14/53/79/529145379.db2.gz ACXYIKFNQCFLPI-WAYWQWQTSA-N 1 3 268.405 -0.142 20 0 CBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357338035 535880851 /nfs/dbraw/zinc/88/08/51/535880851.db2.gz VJYKBIWTPCMZQD-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO NC(=O)C[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498525 582299515 /nfs/dbraw/zinc/29/95/15/582299515.db2.gz LQGPGWUIOUGNBG-KGLIPLIRSA-N 1 3 299.415 -0.297 20 0 CBADHO CCN(CCO)CCNC(=S)NCCC[NH+](C)C ZINC000768787992 582334650 /nfs/dbraw/zinc/33/46/50/582334650.db2.gz IUWAPVHSRVRNEU-UHFFFAOYSA-N 1 3 276.450 -0.284 20 0 CBADHO C[C@]1(C(N)=O)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796581447 582412084 /nfs/dbraw/zinc/41/20/84/582412084.db2.gz QGSCYFFHHIPUPY-AAEUAGOBSA-N 1 3 255.362 -0.360 20 0 CBADHO CNC(=O)[C@@]1(C)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797525455 582413668 /nfs/dbraw/zinc/41/36/68/582413668.db2.gz MXWHMTAICZMQMM-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO CNC(=O)[C@]1(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797525453 582413684 /nfs/dbraw/zinc/41/36/84/582413684.db2.gz MXWHMTAICZMQMM-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[NH+]1CCC(N2CC[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC000819054230 582525585 /nfs/dbraw/zinc/52/55/85/582525585.db2.gz OVMVBECNBKFJTN-LBPRGKRZSA-N 1 3 289.445 -0.211 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000827290392 582809532 /nfs/dbraw/zinc/80/95/32/582809532.db2.gz TWYIXBDNJNLTBR-KFWWJZLASA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000827290392 582809535 /nfs/dbraw/zinc/80/95/35/582809535.db2.gz TWYIXBDNJNLTBR-KFWWJZLASA-N 1 3 292.427 -0.071 20 0 CBADHO O=C(NCCNc1cc[nH+]cc1)c1[nH]nc2c1CNCC2 ZINC000827433564 582816608 /nfs/dbraw/zinc/81/66/08/582816608.db2.gz GOHJEVLYKBQTQA-UHFFFAOYSA-N 1 3 286.339 -0.286 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000827936144 582836288 /nfs/dbraw/zinc/83/62/88/582836288.db2.gz FPENSSYOQOXLJD-BHPKHCPMSA-N 1 3 279.384 -0.035 20 0 CBADHO O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@]1(F)CCNC1 ZINC000831644204 582991971 /nfs/dbraw/zinc/99/19/71/582991971.db2.gz QQOUOPNQUYWFGJ-WCQYABFASA-N 1 3 270.352 -0.806 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000831971413 583009495 /nfs/dbraw/zinc/00/94/95/583009495.db2.gz XGJZNRSARQGUSJ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO NCc1cccc(C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000832393518 583023738 /nfs/dbraw/zinc/02/37/38/583023738.db2.gz SPQZDJIUFXSYHM-UHFFFAOYSA-N 1 3 262.357 -0.220 20 0 CBADHO O=C(NC[C@H]1CCCC[NH2+]1)c1[nH]nc2c1CNCC2 ZINC000832458363 583026327 /nfs/dbraw/zinc/02/63/27/583026327.db2.gz DUGJLRJWKQOXDK-SECBINFHSA-N 1 3 263.345 -0.073 20 0 CBADHO C[C@@H](CNC(=O)N(CC[NH3+])CCO)N1CCCCC1 ZINC000841726509 583173431 /nfs/dbraw/zinc/17/34/31/583173431.db2.gz RRNISDJWHHUSLM-LBPRGKRZSA-N 1 3 272.393 -0.177 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000841849253 583174972 /nfs/dbraw/zinc/17/49/72/583174972.db2.gz FHPYYBBJFNOJRZ-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842014264 583177675 /nfs/dbraw/zinc/17/76/75/583177675.db2.gz BDROXBYRMMWZBT-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842014847 583177776 /nfs/dbraw/zinc/17/77/76/583177776.db2.gz FOCLVVCMZYALAV-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N1CCCCC1 ZINC000842014292 583177870 /nfs/dbraw/zinc/17/78/70/583177870.db2.gz BTARHBCISALHNN-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)N1CCCCC1 ZINC000842016425 583178077 /nfs/dbraw/zinc/17/80/77/583178077.db2.gz VINWRPCNPYLOHN-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016009 583178142 /nfs/dbraw/zinc/17/81/42/583178142.db2.gz QJPBRJLJKXQPBY-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])N1CCCCC1 ZINC000842016899 583178145 /nfs/dbraw/zinc/17/81/45/583178145.db2.gz ZBDUIUAVNKYOPZ-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CNCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843471837 583224504 /nfs/dbraw/zinc/22/45/04/583224504.db2.gz NTVGCSWBHTZZJW-UHFFFAOYSA-N 1 3 250.302 -0.467 20 0 CBADHO CN(C)CCOCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843494440 583229164 /nfs/dbraw/zinc/22/91/64/583229164.db2.gz DPDPOJCJQAQBAN-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843500869 583231228 /nfs/dbraw/zinc/23/12/28/583231228.db2.gz BOWMVJTVSBUZSK-GXTWGEPZSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000843504882 583231995 /nfs/dbraw/zinc/23/19/95/583231995.db2.gz CXVYXOXOAGBSLJ-JGVFFNPUSA-N 1 3 251.334 -0.089 20 0 CBADHO O=C(NCCC[NH2+]C1CC1)c1[nH]nc2c1CNCC2 ZINC000843513282 583232472 /nfs/dbraw/zinc/23/24/72/583232472.db2.gz AGSYSUKUZLRDKA-UHFFFAOYSA-N 1 3 263.345 -0.073 20 0 CBADHO COCCNCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844171209 583256165 /nfs/dbraw/zinc/25/61/65/583256165.db2.gz NELJLTSERPLCBG-CQSZACIVSA-N 1 3 299.415 -0.018 20 0 CBADHO CC[NH2+]CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000844191204 583259877 /nfs/dbraw/zinc/25/98/77/583259877.db2.gz TUBRZTNFEPDGIT-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCN(CCCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844191309 583259911 /nfs/dbraw/zinc/25/99/11/583259911.db2.gz LHEVAITWJVOEOB-CQSZACIVSA-N 1 3 298.431 -0.491 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846674474 583382204 /nfs/dbraw/zinc/38/22/04/583382204.db2.gz YZBMLYSFEJYXCR-ABHRYQDASA-N 1 3 295.383 -0.798 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](C)NC2CC2)C[C@H]1C[NH3+] ZINC000846694981 583383858 /nfs/dbraw/zinc/38/38/58/583383858.db2.gz GTNWWMYKCJXWJI-CKYFFXLPSA-N 1 3 255.362 -0.051 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)C[C@H]1C[NH3+] ZINC000846695223 583384432 /nfs/dbraw/zinc/38/44/32/583384432.db2.gz URGASNRGTVKZIE-CKYFFXLPSA-N 1 3 259.325 -0.490 20 0 CBADHO CS(=O)(=O)CCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848717646 583456372 /nfs/dbraw/zinc/45/63/72/583456372.db2.gz CNLKPSZVUOALPA-GHMZBOCLSA-N 1 3 264.391 -0.093 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCOCC1 ZINC000848980717 583463634 /nfs/dbraw/zinc/46/36/34/583463634.db2.gz LAWPRVCYLVPJQS-ZDUSSCGKSA-N 1 3 283.420 -0.083 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nncn1C ZINC000848992213 583465076 /nfs/dbraw/zinc/46/50/76/583465076.db2.gz XNPPVZNVFYBHDM-SNVBAGLBSA-N 1 3 265.365 -0.087 20 0 CBADHO C[C@H](CNC1=[NH+]CCN1C)CN1CCN(C)CC1 ZINC000848994288 583465488 /nfs/dbraw/zinc/46/54/88/583465488.db2.gz BEASQCMAMDFVQK-GFCCVEGCSA-N 1 3 253.394 -0.239 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000849017219 583468094 /nfs/dbraw/zinc/46/80/94/583468094.db2.gz MUOYFHGFCCFKEZ-GFCCVEGCSA-N 1 3 296.419 -0.984 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOCCO ZINC000849016498 583468175 /nfs/dbraw/zinc/46/81/75/583468175.db2.gz KPMOGNPKEKSUQE-LBPRGKRZSA-N 1 3 272.393 -0.016 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849041096 583471213 /nfs/dbraw/zinc/47/12/13/583471213.db2.gz KCOHRHVVZKFSDW-NWDGAFQWSA-N 1 3 295.391 -0.763 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043826 583471579 /nfs/dbraw/zinc/47/15/79/583471579.db2.gz ILXZQLCIMUKXFP-JTQLQIEISA-N 1 3 271.365 -0.396 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047607 583471878 /nfs/dbraw/zinc/47/18/78/583471878.db2.gz PGPAJOWDZWIBSQ-OUAUKWLOSA-N 1 3 267.377 -0.151 20 0 CBADHO CC[NH2+]CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000851643941 583517733 /nfs/dbraw/zinc/51/77/33/583517733.db2.gz GYNJNLJIPJMHTA-UHFFFAOYSA-N 1 3 258.366 -0.926 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000851691617 583522429 /nfs/dbraw/zinc/52/24/29/583522429.db2.gz PMJLFNMTKOGUCM-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](NC(=O)C1=NO[C@H](CN)C1)[C@H]1CCC[NH2+]C1 ZINC000852794878 583552949 /nfs/dbraw/zinc/55/29/49/583552949.db2.gz SVGOFAICTXTCOB-GUBZILKMSA-N 1 3 254.334 -0.406 20 0 CBADHO C[C@H](NC(=O)C1=NO[C@@H](CN)C1)[C@@H]1CCC[NH2+]C1 ZINC000852794879 583553035 /nfs/dbraw/zinc/55/30/35/583553035.db2.gz SVGOFAICTXTCOB-IVZWLZJFSA-N 1 3 254.334 -0.406 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC(OCCC[NH3+])CC2)=NO1 ZINC000852798688 583553252 /nfs/dbraw/zinc/55/32/52/583553252.db2.gz NPELNNNRKPJQBQ-LLVKDONJSA-N 1 3 284.360 -0.554 20 0 CBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852799796 583553264 /nfs/dbraw/zinc/55/32/64/583553264.db2.gz XDCLXXSIFQRIGK-UWVGGRQHSA-N 1 3 256.350 -0.078 20 0 CBADHO C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)[C@@H]1C[NH3+] ZINC000852798182 583553377 /nfs/dbraw/zinc/55/33/77/583553377.db2.gz HIJOMHOUSOWYEQ-FXPVBKGRSA-N 1 3 254.334 -0.324 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852800365 583553516 /nfs/dbraw/zinc/55/35/16/583553516.db2.gz XLEWJVHVWZYTOB-JOYOIKCWSA-N 1 3 256.350 -0.030 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@@H]1NCC12CCOCC2 ZINC000852825687 583556881 /nfs/dbraw/zinc/55/68/81/583556881.db2.gz NQQCZRLBSZORDH-NSHDSACASA-N 1 3 255.362 -0.129 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852855586 583561491 /nfs/dbraw/zinc/56/14/91/583561491.db2.gz GDBNLZHISMAWLC-GFCCVEGCSA-N 1 3 284.404 -0.408 20 0 CBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000852864357 583563600 /nfs/dbraw/zinc/56/36/00/583563600.db2.gz TUURUPWSKKCJKK-GRYCIOLGSA-N 1 3 253.346 -0.297 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852865231 583564051 /nfs/dbraw/zinc/56/40/51/583564051.db2.gz WMMAPXVASQOQBC-GFCCVEGCSA-N 1 3 298.387 -0.293 20 0 CBADHO C[NH+](C)C1(CNC(=O)C2=NO[C@@H](CN)C2)CCOCC1 ZINC000852867742 583564691 /nfs/dbraw/zinc/56/46/91/583564691.db2.gz AVDNUSFVDVFIMT-SNVBAGLBSA-N 1 3 284.360 -0.683 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852872238 583565173 /nfs/dbraw/zinc/56/51/73/583565173.db2.gz JPNHLMQVCPYKNE-GHMZBOCLSA-N 1 3 286.376 -0.437 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852871065 583565179 /nfs/dbraw/zinc/56/51/79/583565179.db2.gz UTKVJOVKFOMGOK-JTQLQIEISA-N 1 3 272.349 -0.826 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852871065 583565181 /nfs/dbraw/zinc/56/51/81/583565181.db2.gz UTKVJOVKFOMGOK-JTQLQIEISA-N 1 3 272.349 -0.826 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872394 583565527 /nfs/dbraw/zinc/56/55/27/583565527.db2.gz FVBWRNMLGXEZJL-NWDGAFQWSA-N 1 3 297.403 -0.768 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC3(CC[NH2+]C3)CC2)=NO1 ZINC000852880896 583566772 /nfs/dbraw/zinc/56/67/72/583566772.db2.gz FTYPMKBRVJNINV-SNVBAGLBSA-N 1 3 266.345 -0.308 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)=NO1 ZINC000852881995 583567019 /nfs/dbraw/zinc/56/70/19/583567019.db2.gz VBJBOAHPOUAYIP-KXUCPTDWSA-N 1 3 252.318 -0.700 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)=NO1 ZINC000852882033 583567054 /nfs/dbraw/zinc/56/70/54/583567054.db2.gz WJVNMICUFXAHNC-OUAUKWLOSA-N 1 3 266.345 -0.452 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852882676 583567419 /nfs/dbraw/zinc/56/74/19/583567419.db2.gz NYMNWVPGSQZSBA-IQJOONFLSA-N 1 3 252.318 -0.700 20 0 CBADHO NC[C@H]1CC(C(=O)NCCC[C@H]2CCC[NH2+]2)=NO1 ZINC000852882615 583567466 /nfs/dbraw/zinc/56/74/66/583567466.db2.gz MXCXRZGFNZRVPF-NXEZZACHSA-N 1 3 254.334 -0.262 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884552 583567971 /nfs/dbraw/zinc/56/79/71/583567971.db2.gz HRVWOFKGEPKQAJ-GFCCVEGCSA-N 1 3 297.403 -0.814 20 0 CBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@@]1(C)C[NH3+] ZINC000852889515 583569613 /nfs/dbraw/zinc/56/96/13/583569613.db2.gz FBTQUCHFKWYCIG-VDDIYKPWSA-N 1 3 254.334 -0.467 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@H](CN)C2)C[C@H]1C[NH3+] ZINC000852892581 583570241 /nfs/dbraw/zinc/57/02/41/583570241.db2.gz IDCPNABABOAERO-YTWAJWBKSA-N 1 3 268.361 -0.078 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC3CCC2(C[NH3+])CC3)=NO1 ZINC000852893439 583570725 /nfs/dbraw/zinc/57/07/25/583570725.db2.gz GWXXSZDJJFPBAC-RUETXSTFSA-N 1 3 266.345 -0.180 20 0 CBADHO NC[C@H]1CC(C(=O)NCc2ccc(C[NH3+])cc2)=NO1 ZINC000852894616 583570977 /nfs/dbraw/zinc/57/09/77/583570977.db2.gz LWDQOYOBXJIIDV-LLVKDONJSA-N 1 3 262.313 -0.135 20 0 CBADHO NC[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)=NO1 ZINC000852896001 583571238 /nfs/dbraw/zinc/57/12/38/583571238.db2.gz PLXXLJORNPYKTP-KWBADKCTSA-N 1 3 266.345 -0.323 20 0 CBADHO NC[C@@H]1CC(C(=O)NCCC2CC[NH2+]CC2)=NO1 ZINC000852897828 583571766 /nfs/dbraw/zinc/57/17/66/583571766.db2.gz SRYHNSWNZWGEKS-JTQLQIEISA-N 1 3 254.334 -0.404 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852924829 583575218 /nfs/dbraw/zinc/57/52/18/583575218.db2.gz UZSMXECLAWSIQD-VXGBXAGGSA-N 1 3 298.387 -0.341 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000858377725 583693349 /nfs/dbraw/zinc/69/33/49/583693349.db2.gz BSDPKHNJXRTWSS-QMMMGPOBSA-N 1 3 251.338 -0.186 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861573126 583771317 /nfs/dbraw/zinc/77/13/17/583771317.db2.gz BENFFTURIZGBHI-QJPTWQEYSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861573127 583771351 /nfs/dbraw/zinc/77/13/51/583771351.db2.gz BENFFTURIZGBHI-SDDRHHMPSA-N 1 3 270.377 -0.162 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573249 583771409 /nfs/dbraw/zinc/77/14/09/583771409.db2.gz CRAMTENYEWFRCZ-WOPDTQHZSA-N 1 3 268.361 -0.489 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573172 583771432 /nfs/dbraw/zinc/77/14/32/583771432.db2.gz CRAMTENYEWFRCZ-GRYCIOLGSA-N 1 3 268.361 -0.489 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CNCCC1(F)F ZINC000861645791 583775219 /nfs/dbraw/zinc/77/52/19/583775219.db2.gz JJIJWBOXTVBILP-JTQLQIEISA-N 1 3 294.346 -0.139 20 0 CBADHO CCN(CC[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000861646010 583775223 /nfs/dbraw/zinc/77/52/23/583775223.db2.gz NMEVIPILCFLNPV-QMMMGPOBSA-N 1 3 250.293 -0.026 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000861756645 583784514 /nfs/dbraw/zinc/78/45/14/583784514.db2.gz FMEQHWTYRSFWHZ-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000861757175 583784583 /nfs/dbraw/zinc/78/45/83/583784583.db2.gz OHQRNDUWCBVMHM-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1=CCN(C)CC1 ZINC000861763375 583785058 /nfs/dbraw/zinc/78/50/58/583785058.db2.gz WGVFGVGOLIHSHQ-WDEREUQCSA-N 1 3 282.388 -0.441 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000861765247 583785308 /nfs/dbraw/zinc/78/53/08/583785308.db2.gz OZMRPULKKVNDMA-PWSUYJOCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000861765246 583785366 /nfs/dbraw/zinc/78/53/66/583785366.db2.gz OZMRPULKKVNDMA-JQWIXIFHSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000863762608 583854520 /nfs/dbraw/zinc/85/45/20/583854520.db2.gz XUKWNPRZKAGDOO-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO COC[C@H](CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)OC ZINC000866711047 583928053 /nfs/dbraw/zinc/92/80/53/583928053.db2.gz AOAPJIFRUFRUSB-RVMXOQNASA-N 1 3 299.371 -0.485 20 0 CBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCn2cccn2)C1 ZINC000866714393 583928436 /nfs/dbraw/zinc/92/84/36/583928436.db2.gz NTHCLWFHBBUMGI-FRRDWIJNSA-N 1 3 291.355 -0.250 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000868386690 583976679 /nfs/dbraw/zinc/97/66/79/583976679.db2.gz KNAUPMUFLXFSBC-STQMWFEESA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000868386690 583976680 /nfs/dbraw/zinc/97/66/80/583976680.db2.gz KNAUPMUFLXFSBC-STQMWFEESA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@H]21 ZINC000868388374 583976880 /nfs/dbraw/zinc/97/68/80/583976880.db2.gz STBBUPSZFJWYFR-JHJVBQTASA-N 1 3 294.399 -0.511 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@H]21 ZINC000868388374 583976881 /nfs/dbraw/zinc/97/68/81/583976881.db2.gz STBBUPSZFJWYFR-JHJVBQTASA-N 1 3 294.399 -0.511 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868395139 583977340 /nfs/dbraw/zinc/97/73/40/583977340.db2.gz HBDOOLURMLLEIX-RYUDHWBXSA-N 1 3 282.388 -0.654 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868395139 583977342 /nfs/dbraw/zinc/97/73/42/583977342.db2.gz HBDOOLURMLLEIX-RYUDHWBXSA-N 1 3 282.388 -0.654 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H]1[NH3+] ZINC000868407110 583978173 /nfs/dbraw/zinc/97/81/73/583978173.db2.gz SJFMGTKIMYSYRQ-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1c[nH]cn1 ZINC000869236587 583996003 /nfs/dbraw/zinc/99/60/03/583996003.db2.gz CTIKXVYICWCGDW-AAEUAGOBSA-N 1 3 297.403 -0.169 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1c[nH]cn1 ZINC000869236587 583996005 /nfs/dbraw/zinc/99/60/05/583996005.db2.gz CTIKXVYICWCGDW-AAEUAGOBSA-N 1 3 297.403 -0.169 20 0 CBADHO O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CNCCO1 ZINC000870947247 584022742 /nfs/dbraw/zinc/02/27/42/584022742.db2.gz YGFHGJVJPBLVFP-AKJDGMEZSA-N 1 3 253.346 -0.377 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870953986 584022930 /nfs/dbraw/zinc/02/29/30/584022930.db2.gz WPZQRMISDPGIPQ-BETUJISGSA-N 1 3 298.431 -0.018 20 0 CBADHO O=C(CNC1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003681 584024911 /nfs/dbraw/zinc/02/49/11/584024911.db2.gz BOAZGFRKUHVCDC-TUAOUCFPSA-N 1 3 294.355 -0.868 20 0 CBADHO O=C(CNC1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003682 584024944 /nfs/dbraw/zinc/02/49/44/584024944.db2.gz BOAZGFRKUHVCDC-UTUOFQBUSA-N 1 3 294.355 -0.868 20 0 CBADHO COCCN(C)C(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000871603956 584043322 /nfs/dbraw/zinc/04/33/22/584043322.db2.gz NYGPRAREGWMONK-NWDGAFQWSA-N 1 3 270.377 -0.048 20 0 CBADHO COCCN(C)C(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000871603955 584043463 /nfs/dbraw/zinc/04/34/63/584043463.db2.gz NYGPRAREGWMONK-NEPJUHHUSA-N 1 3 270.377 -0.048 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872218198 584050769 /nfs/dbraw/zinc/05/07/69/584050769.db2.gz KWYNXQXCOABEKD-UONOGXRCSA-N 1 3 285.432 -0.122 20 0 CBADHO COC(=O)[C@@H]1OCC[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000872229799 584051775 /nfs/dbraw/zinc/05/17/75/584051775.db2.gz SQXQGPDBZYWFAP-KGYLQXTDSA-N 1 3 286.372 -0.391 20 0 CBADHO COC(=O)[C@@H]1OCC[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000872229799 584051777 /nfs/dbraw/zinc/05/17/77/584051777.db2.gz SQXQGPDBZYWFAP-KGYLQXTDSA-N 1 3 286.372 -0.391 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@]3(C)CC[NH2+]C3)C[C@H]2C1=O ZINC000873220795 584068865 /nfs/dbraw/zinc/06/88/65/584068865.db2.gz YOKNTAAPOCVHDF-GBIKHYSHSA-N 1 3 251.330 -0.467 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@]12COC(=O)N1CCOC2 ZINC000873248328 584069201 /nfs/dbraw/zinc/06/92/01/584069201.db2.gz DBOHAABGBCJIOV-GVXVVHGQSA-N 1 3 269.345 -0.075 20 0 CBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248328 584069202 /nfs/dbraw/zinc/06/92/02/584069202.db2.gz DBOHAABGBCJIOV-GVXVVHGQSA-N 1 3 269.345 -0.075 20 0 CBADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873250958 584069259 /nfs/dbraw/zinc/06/92/59/584069259.db2.gz UCIXNQSDYHWDOG-SCVCMEIPSA-N 1 3 255.318 -0.323 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000876743673 584141780 /nfs/dbraw/zinc/14/17/80/584141780.db2.gz HHHVDRZUUARRLO-ABHRYQDASA-N 1 3 297.399 -0.267 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876745069 584141919 /nfs/dbraw/zinc/14/19/19/584141919.db2.gz YPZOFERSIFZYSP-LOWDOPEQSA-N 1 3 285.363 -0.087 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000876746902 584141966 /nfs/dbraw/zinc/14/19/66/584141966.db2.gz RQHKLDQFYNXQPW-NSHDSACASA-N 1 3 268.365 -0.728 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876744938 584141991 /nfs/dbraw/zinc/14/19/91/584141991.db2.gz HTTKOUSIDYXMKW-MNOVXSKESA-N 1 3 261.341 -0.372 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787553 584144489 /nfs/dbraw/zinc/14/44/89/584144489.db2.gz VEVJMRDMNABVMQ-AGIUHOORSA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783516 584144525 /nfs/dbraw/zinc/14/45/25/584144525.db2.gz FHXJNAOCEFEDAE-KGLIPLIRSA-N 1 3 297.447 -0.886 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783516 584144527 /nfs/dbraw/zinc/14/45/27/584144527.db2.gz FHXJNAOCEFEDAE-KGLIPLIRSA-N 1 3 297.447 -0.886 20 0 CBADHO C[NH2+]CCN(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000876792646 584144833 /nfs/dbraw/zinc/14/48/33/584144833.db2.gz VJDJILFZFILLAQ-UHFFFAOYSA-N 1 3 253.350 -0.264 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000876829696 584147802 /nfs/dbraw/zinc/14/78/02/584147802.db2.gz PKICJPIUYPLKQQ-WCQYABFASA-N 1 3 264.373 -0.091 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000876829695 584147834 /nfs/dbraw/zinc/14/78/34/584147834.db2.gz PKICJPIUYPLKQQ-AAEUAGOBSA-N 1 3 264.373 -0.091 20 0 CBADHO O=C(CN1CC[NH2+]CC1)NC[C@H]1NCCc2ccccc21 ZINC000876845199 584148968 /nfs/dbraw/zinc/14/89/68/584148968.db2.gz AYVHVZRNSOYMIA-OAHLLOKOSA-N 1 3 288.395 -0.105 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876856232 584150286 /nfs/dbraw/zinc/15/02/86/584150286.db2.gz CRGOCGAYXQOIFC-NSHDSACASA-N 1 3 254.378 -0.523 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876878546 584152472 /nfs/dbraw/zinc/15/24/72/584152472.db2.gz GDTUZLIEFQPTPQ-RYUDHWBXSA-N 1 3 275.368 -0.029 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876884676 584153062 /nfs/dbraw/zinc/15/30/62/584153062.db2.gz RONNFFCTRZKIAH-SDDRHHMPSA-N 1 3 256.394 -0.326 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876884676 584153063 /nfs/dbraw/zinc/15/30/63/584153063.db2.gz RONNFFCTRZKIAH-SDDRHHMPSA-N 1 3 256.394 -0.326 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000876913879 584154871 /nfs/dbraw/zinc/15/48/71/584154871.db2.gz VKVCJSGOZRIUTK-RWMBFGLXSA-N 1 3 268.405 -0.134 20 0 CBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000876916437 584155090 /nfs/dbraw/zinc/15/50/90/584155090.db2.gz BMSXLVXBEZXFTF-YYAQPZEXSA-N 1 3 253.346 -0.497 20 0 CBADHO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C[C@@H]1C[NH3+] ZINC000876927854 584156231 /nfs/dbraw/zinc/15/62/31/584156231.db2.gz NIWGAUAKVPWCNA-WYUUTHIRSA-N 1 3 256.394 -0.293 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCCCC[C@H]([NH3+])C2)=NO1 ZINC000877126195 584167540 /nfs/dbraw/zinc/16/75/40/584167540.db2.gz ZCGGRHSCQOIDBQ-UWVGGRQHSA-N 1 3 254.334 -0.180 20 0 CBADHO CC1(C)CC[C@@H](CNC(=O)CN2CCNCC2)[NH2+]C1 ZINC000877150885 584168186 /nfs/dbraw/zinc/16/81/86/584168186.db2.gz DVXLLPPXMJSLJS-LBPRGKRZSA-N 1 3 268.405 -0.214 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877152019 584168221 /nfs/dbraw/zinc/16/82/21/584168221.db2.gz XQFVXEPWBFIEOX-QWRGUYRKSA-N 1 3 256.394 -0.230 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188287 584169870 /nfs/dbraw/zinc/16/98/70/584169870.db2.gz YCYXFFUZJLZPLK-QUNCOHTASA-N 1 3 269.345 -0.251 20 0 CBADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CC[NH2+]3)c2)nn1 ZINC000877207508 584170587 /nfs/dbraw/zinc/17/05/87/584170587.db2.gz YVSCXOCQFSHUJD-CYBMUJFWSA-N 1 3 286.339 -0.296 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245095 584171907 /nfs/dbraw/zinc/17/19/07/584171907.db2.gz AFDYTSXBLDAKIY-OPDFLTKYSA-N 1 3 296.415 -0.267 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000877243357 584171975 /nfs/dbraw/zinc/17/19/75/584171975.db2.gz OWEMCMIQEXTRNK-UTUOFQBUSA-N 1 3 282.388 -0.750 20 0 CBADHO COCCC1(NC(=O)[C@]2(F)CCNC2)CC[NH2+]CC1 ZINC000877267397 584173893 /nfs/dbraw/zinc/17/38/93/584173893.db2.gz USBCHTKFSHWPOX-ZDUSSCGKSA-N 1 3 273.352 -0.037 20 0 CBADHO COCCNCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337155 584179094 /nfs/dbraw/zinc/17/90/94/584179094.db2.gz OQYRNXSBHNHVBY-LBPRGKRZSA-N 1 3 285.388 -0.503 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390097 584180573 /nfs/dbraw/zinc/18/05/73/584180573.db2.gz HUROBEAVRCJPCB-OUJBWJOFSA-N 1 3 269.345 -0.332 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000877451530 584182282 /nfs/dbraw/zinc/18/22/82/584182282.db2.gz QJRXJUWDGZOOSH-BZPMIXESSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000877451530 584182284 /nfs/dbraw/zinc/18/22/84/584182284.db2.gz QJRXJUWDGZOOSH-BZPMIXESSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1N1CCN(C)CC1 ZINC000878324933 584199834 /nfs/dbraw/zinc/19/98/34/584199834.db2.gz PPAAOAYGQUJLCG-KBPBESRZSA-N 1 3 293.419 -0.369 20 0 CBADHO C[C@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1N1CCN(C)CC1 ZINC000878324933 584199837 /nfs/dbraw/zinc/19/98/37/584199837.db2.gz PPAAOAYGQUJLCG-KBPBESRZSA-N 1 3 293.419 -0.369 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580328 584242008 /nfs/dbraw/zinc/24/20/08/584242008.db2.gz SNQXOZQYBLCZPE-QLFBSQMISA-N 1 3 285.432 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580328 584242010 /nfs/dbraw/zinc/24/20/10/584242010.db2.gz SNQXOZQYBLCZPE-QLFBSQMISA-N 1 3 285.432 -0.049 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000879993505 584258242 /nfs/dbraw/zinc/25/82/42/584258242.db2.gz SIBBDWMYLAZVNV-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879998382 584259029 /nfs/dbraw/zinc/25/90/29/584259029.db2.gz RKFTYVHNAXLEIE-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879998382 584259030 /nfs/dbraw/zinc/25/90/30/584259030.db2.gz RKFTYVHNAXLEIE-NWDGAFQWSA-N 1 3 255.362 -0.489 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCn3cnnn3)C2)C1 ZINC000883434727 584342315 /nfs/dbraw/zinc/34/23/15/584342315.db2.gz ZMFCTHUOAMFCOY-YNEHKIRRSA-N 1 3 280.376 -0.109 20 0 CBADHO [NH3+]CCCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884008207 584355387 /nfs/dbraw/zinc/35/53/87/584355387.db2.gz GQFXHCLIIMKPHG-UHFFFAOYSA-N 1 3 263.345 -0.430 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)c1ccnc(N2CCNCC2)c1 ZINC000884012028 584355528 /nfs/dbraw/zinc/35/55/28/584355528.db2.gz XIWRZKQPWAYQEC-ZDUSSCGKSA-N 1 3 289.383 -0.027 20 0 CBADHO COCC[C@@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000884021596 584356190 /nfs/dbraw/zinc/35/61/90/584356190.db2.gz FTZBLVFMWNNUFI-GFCCVEGCSA-N 1 3 293.371 -0.207 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)c1ccnc(N2CCNCC2)c1 ZINC000884024321 584356424 /nfs/dbraw/zinc/35/64/24/584356424.db2.gz OAGQBRCWVSCRLR-ZDUSSCGKSA-N 1 3 289.383 -0.027 20 0 CBADHO CC(C)([NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884038859 584357024 /nfs/dbraw/zinc/35/70/24/584357024.db2.gz VNZPUBUEHNJPBT-UHFFFAOYSA-N 1 3 277.372 -0.042 20 0 CBADHO CN1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](CN)C1 ZINC000884042055 584357376 /nfs/dbraw/zinc/35/73/76/584357376.db2.gz PACLUCAXMMAICB-GHMZBOCLSA-N 1 3 254.378 -0.667 20 0 CBADHO COCC[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000884192225 584365337 /nfs/dbraw/zinc/36/53/37/584365337.db2.gz ZRTSZPRAXKZCRK-JQWIXIFHSA-N 1 3 275.418 -0.096 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884213164 584367823 /nfs/dbraw/zinc/36/78/23/584367823.db2.gz UXZBEYMQQDAZKQ-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213164 584367826 /nfs/dbraw/zinc/36/78/26/584367826.db2.gz UXZBEYMQQDAZKQ-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884234044 584368827 /nfs/dbraw/zinc/36/88/27/584368827.db2.gz GEELBPFLVYUCGX-CYBMUJFWSA-N 1 3 282.432 -0.014 20 0 CBADHO N[C@@H](CC1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285999 584372148 /nfs/dbraw/zinc/37/21/48/584372148.db2.gz WBLMQSXMXCKAAD-STQMWFEESA-N 1 3 266.389 -0.380 20 0 CBADHO N[C@H](CC1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884289164 584372472 /nfs/dbraw/zinc/37/24/72/584372472.db2.gz VDFUGSWXBRXKHX-QWHCGFSZSA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884297084 584372771 /nfs/dbraw/zinc/37/27/71/584372771.db2.gz KKLQQJAHCVGMQU-QWRGUYRKSA-N 1 3 277.372 -0.043 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884297083 584372823 /nfs/dbraw/zinc/37/28/23/584372823.db2.gz KKLQQJAHCVGMQU-MNOVXSKESA-N 1 3 277.372 -0.043 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC1=O ZINC000884356212 584376156 /nfs/dbraw/zinc/37/61/56/584376156.db2.gz AGUMSCHPCFAHHH-WOPDTQHZSA-N 1 3 296.415 -0.362 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1=O ZINC000884356210 584376231 /nfs/dbraw/zinc/37/62/31/584376231.db2.gz AGUMSCHPCFAHHH-IJLUTSLNSA-N 1 3 296.415 -0.362 20 0 CBADHO CO[C@@H](CN)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000884385859 584378013 /nfs/dbraw/zinc/37/80/13/584378013.db2.gz XIONYEYSTHDWDV-NSHDSACASA-N 1 3 255.293 -0.126 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884576640 584388710 /nfs/dbraw/zinc/38/87/10/584388710.db2.gz MKZPWZXJJISLSS-AGIUHOORSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884577498 584388804 /nfs/dbraw/zinc/38/88/04/584388804.db2.gz GUFDASNDUCXIMI-UPJWGTAASA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000884601528 584389625 /nfs/dbraw/zinc/38/96/25/584389625.db2.gz NYNHXTGTZMNQIR-QWRGUYRKSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N(C)C1CC1 ZINC000884618260 584391167 /nfs/dbraw/zinc/39/11/67/584391167.db2.gz ZMODKRUYYMCTSI-JTQLQIEISA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C1CC1 ZINC000884617816 584391260 /nfs/dbraw/zinc/39/12/60/584391260.db2.gz SRDXUPPZTXEFSU-SDDRHHMPSA-N 1 3 294.399 -0.452 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631559 584392271 /nfs/dbraw/zinc/39/22/71/584392271.db2.gz OFOGQMHFXNIJRJ-RAIGVLPGSA-N 1 3 294.399 -0.465 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670270 584393953 /nfs/dbraw/zinc/39/39/53/584393953.db2.gz UJIWPUCHGMWWNV-AGIUHOORSA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670270 584393956 /nfs/dbraw/zinc/39/39/56/584393956.db2.gz UJIWPUCHGMWWNV-AGIUHOORSA-N 1 3 294.399 -0.321 20 0 CBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000884689086 584397124 /nfs/dbraw/zinc/39/71/24/584397124.db2.gz YJODPGAZHAOKAE-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000884705173 584399598 /nfs/dbraw/zinc/39/95/98/584399598.db2.gz JRILKZJVRWSBCT-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970012 584405920 /nfs/dbraw/zinc/40/59/20/584405920.db2.gz BXALVNDQTMZBQG-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000887089518 584463310 /nfs/dbraw/zinc/46/33/10/584463310.db2.gz FIZIMHJJEBKFDS-CYBMUJFWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)C1 ZINC000889332437 584525841 /nfs/dbraw/zinc/52/58/41/584525841.db2.gz AAWOEWDNCAFQEY-LBPRGKRZSA-N 1 3 299.419 -0.301 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)C1 ZINC000889332437 584525844 /nfs/dbraw/zinc/52/58/44/584525844.db2.gz AAWOEWDNCAFQEY-LBPRGKRZSA-N 1 3 299.419 -0.301 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891492801 584582644 /nfs/dbraw/zinc/58/26/44/584582644.db2.gz JGALZLNACHFPME-QWRGUYRKSA-N 1 3 258.366 -0.304 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCOCCN(C)C ZINC000891840783 584592993 /nfs/dbraw/zinc/59/29/93/584592993.db2.gz DEJLKIRAJVRPBL-GHMZBOCLSA-N 1 3 258.366 -0.304 20 0 CBADHO [NH3+][C@H]1CCCCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000892179110 584607666 /nfs/dbraw/zinc/60/76/66/584607666.db2.gz GNZGGQXCDYJPBE-RYUDHWBXSA-N 1 3 270.377 -0.112 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1CNCCO1)C2 ZINC000892183243 584607982 /nfs/dbraw/zinc/60/79/82/584607982.db2.gz DRWDWJAGOQVFAB-DMDPSCGWSA-N 1 3 268.361 -0.774 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CNCCO3)CC[C@H]21 ZINC000892181828 584608150 /nfs/dbraw/zinc/60/81/50/584608150.db2.gz VYBQNEGMFJJKGG-FRRDWIJNSA-N 1 3 282.388 -0.290 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CNCCO3)CC[C@H]21 ZINC000892181828 584608154 /nfs/dbraw/zinc/60/81/54/584608154.db2.gz VYBQNEGMFJJKGG-FRRDWIJNSA-N 1 3 282.388 -0.290 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892183872 584608359 /nfs/dbraw/zinc/60/83/59/584608359.db2.gz MDBCLWUDWNDDRB-GMXVVIOVSA-N 1 3 268.361 -0.441 20 0 CBADHO CNS(=O)(=O)[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892236707 584610922 /nfs/dbraw/zinc/61/09/22/584610922.db2.gz UOGMANSDNXVPJJ-LBPRGKRZSA-N 1 3 275.418 -0.048 20 0 CBADHO CNS(=O)(=O)[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000892236706 584611116 /nfs/dbraw/zinc/61/11/16/584611116.db2.gz UOGMANSDNXVPJJ-GFCCVEGCSA-N 1 3 275.418 -0.048 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](CN)C1 ZINC000892549552 584618499 /nfs/dbraw/zinc/61/84/99/584618499.db2.gz WHMOZHWTAJZKDB-OUAUKWLOSA-N 1 3 255.366 -0.992 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000892566774 584619367 /nfs/dbraw/zinc/61/93/67/584619367.db2.gz NIEAFCSPDRGHQT-AVGNSLFASA-N 1 3 284.404 -0.130 20 0 CBADHO C[NH+](C)CC[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000895324023 584675862 /nfs/dbraw/zinc/67/58/62/584675862.db2.gz CPRMZTXRZQNXDB-MRVPVSSYSA-N 1 3 251.338 -0.186 20 0 CBADHO CN1CC[C@](O)(CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897397990 584715043 /nfs/dbraw/zinc/71/50/43/584715043.db2.gz PJKGHBPOYISYCX-HNNXBMFYSA-N 1 3 297.399 -0.720 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000897446647 584716673 /nfs/dbraw/zinc/71/66/73/584716673.db2.gz XKQWRCQWCSQIFF-GXTWGEPZSA-N 1 3 284.404 -0.306 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000897446647 584716674 /nfs/dbraw/zinc/71/66/74/584716674.db2.gz XKQWRCQWCSQIFF-GXTWGEPZSA-N 1 3 284.404 -0.306 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@@H]1CCCC[NH2+]C1 ZINC000899630087 584761739 /nfs/dbraw/zinc/76/17/39/584761739.db2.gz OTOAMEKLVDTAHY-VHSXEESVSA-N 1 3 275.374 -0.217 20 0 CBADHO COCCN(C)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900518271 584809751 /nfs/dbraw/zinc/80/97/51/584809751.db2.gz OTDVEMDTVIZBDD-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO COC(=O)[C@H]1CNCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903452316 584890529 /nfs/dbraw/zinc/89/05/29/584890529.db2.gz LARGCMBSVKRYMD-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCN1CCOC1=O)C2 ZINC000903492596 584891607 /nfs/dbraw/zinc/89/16/07/584891607.db2.gz GQFKOTYUQPHETI-WDMOLILDSA-N 1 3 297.355 -0.349 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NC1CC1)C2 ZINC000903493124 584891663 /nfs/dbraw/zinc/89/16/63/584891663.db2.gz UPGOTQBHCXEELN-RSQPEXBXSA-N 1 3 295.383 -0.134 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCCC1)C2 ZINC000903492944 584891757 /nfs/dbraw/zinc/89/17/57/584891757.db2.gz MGQQCVAIYCUPRP-ZOWXZIJZSA-N 1 3 295.383 -0.179 20 0 CBADHO C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1CC[NH3+] ZINC000903496131 584892052 /nfs/dbraw/zinc/89/20/52/584892052.db2.gz GWIWQQJOGWLWPI-CHWSQXEVSA-N 1 3 296.415 -0.358 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)C1CNC1 ZINC000903531878 584892696 /nfs/dbraw/zinc/89/26/96/584892696.db2.gz QQCXGHLGEHBISL-MWLCHTKSSA-N 1 3 259.375 -0.509 20 0 CBADHO CC1(C)CN(CCC(=O)N2CCNCC2)C[C@@H]1[NH3+] ZINC000903558149 584893180 /nfs/dbraw/zinc/89/31/80/584893180.db2.gz IQGANPNLMMQWMC-NSHDSACASA-N 1 3 254.378 -0.523 20 0 CBADHO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCNC1 ZINC000903559349 584893198 /nfs/dbraw/zinc/89/31/98/584893198.db2.gz LDKSGNQLYPFVBJ-UKKRHICBSA-N 1 3 259.375 -0.449 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)[C@H]1CCCNC1 ZINC000903583929 584893951 /nfs/dbraw/zinc/89/39/51/584893951.db2.gz HXNGLANRWOLVFI-SDDRHHMPSA-N 1 3 273.402 -0.119 20 0 CBADHO CN(C)CCCS(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586969 584894013 /nfs/dbraw/zinc/89/40/13/584894013.db2.gz MLPLCPXNSGACSK-SNVBAGLBSA-N 1 3 263.407 -0.063 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](N)C(C)(C)C1 ZINC000903719703 584895815 /nfs/dbraw/zinc/89/58/15/584895815.db2.gz TYEASFPATUGPAN-LLVKDONJSA-N 1 3 284.404 -0.408 20 0 CBADHO O[C@H](CN1CCNC[C@@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748970 584897097 /nfs/dbraw/zinc/89/70/97/584897097.db2.gz FBVWQKOJMNMIFN-WDEREUQCSA-N 1 3 263.332 -0.018 20 0 CBADHO C[C@](Cn1cccn1)(NC[C@@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000903829414 584901202 /nfs/dbraw/zinc/90/12/02/584901202.db2.gz GGXDIRBOPYWSLT-NTZNESFSSA-N 1 3 265.361 -0.156 20 0 CBADHO C[C@](Cn1cccn1)(NCC1CC[NH2+]CC1)C(N)=O ZINC000903829899 584901273 /nfs/dbraw/zinc/90/12/73/584901273.db2.gz NSQJTCUAWXVWPN-CYBMUJFWSA-N 1 3 265.361 -0.284 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000903830182 584901454 /nfs/dbraw/zinc/90/14/54/584901454.db2.gz VOUICYZESFRGKA-ZDUSSCGKSA-N 1 3 257.378 -0.051 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCCCCNC(=O)CC1 ZINC000903830182 584901455 /nfs/dbraw/zinc/90/14/55/584901455.db2.gz VOUICYZESFRGKA-ZDUSSCGKSA-N 1 3 257.378 -0.051 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CCCCCNC(=O)CC1 ZINC000903830182 584901456 /nfs/dbraw/zinc/90/14/56/584901456.db2.gz VOUICYZESFRGKA-ZDUSSCGKSA-N 1 3 257.378 -0.051 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856587 584902360 /nfs/dbraw/zinc/90/23/60/584902360.db2.gz AFLWDPSBWHSTRQ-DZGCQCFKSA-N 1 3 280.416 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@]32CN)CC1 ZINC000903856587 584902362 /nfs/dbraw/zinc/90/23/62/584902362.db2.gz AFLWDPSBWHSTRQ-DZGCQCFKSA-N 1 3 280.416 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@]32CN)CC1 ZINC000903856587 584902364 /nfs/dbraw/zinc/90/23/64/584902364.db2.gz AFLWDPSBWHSTRQ-DZGCQCFKSA-N 1 3 280.416 -0.036 20 0 CBADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@@H]2COC)CC1 ZINC000903876847 584903359 /nfs/dbraw/zinc/90/33/59/584903359.db2.gz NVUSVKVUZQIRBF-CQSZACIVSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC1CCN(CCN2CCOCC2)CC1 ZINC000903964086 584905075 /nfs/dbraw/zinc/90/50/75/584905075.db2.gz LEUZPFWOKMNXHV-GDBMZVCRSA-N 1 3 296.459 -0.020 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000968903897 614110191 /nfs/dbraw/zinc/11/01/91/614110191.db2.gz AHZPODLVPPATCD-QWHCGFSZSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000968903897 614110195 /nfs/dbraw/zinc/11/01/95/614110195.db2.gz AHZPODLVPPATCD-QWHCGFSZSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968915698 614346913 /nfs/dbraw/zinc/34/69/13/614346913.db2.gz NUYFYMKAWKUYCH-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968915698 614346915 /nfs/dbraw/zinc/34/69/15/614346915.db2.gz NUYFYMKAWKUYCH-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC000969992370 615374703 /nfs/dbraw/zinc/37/47/03/615374703.db2.gz WQWICSMGCJRAEF-UTUOFQBUSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC000969074853 615603171 /nfs/dbraw/zinc/60/31/71/615603171.db2.gz WQWICSMGCJRAEF-IJLUTSLNSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1)N(C)C ZINC000969077214 615822486 /nfs/dbraw/zinc/82/24/86/615822486.db2.gz LVSQURNTYUWZGA-GRYCIOLGSA-N 1 3 284.404 -0.219 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969626246 616183249 /nfs/dbraw/zinc/18/32/49/616183249.db2.gz GRWWAVIIZKDJGD-AGIUHOORSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969595029 616192203 /nfs/dbraw/zinc/19/22/03/616192203.db2.gz KVAPRZWVTHZNEK-GRYCIOLGSA-N 1 3 280.372 -0.840 20 0 CBADHO CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CC[NH3+])C1 ZINC000229256320 656111085 /nfs/dbraw/zinc/11/10/85/656111085.db2.gz QWCGAEVYDLILAN-NXEZZACHSA-N 1 3 256.350 -0.109 20 0 CBADHO CC1(C)CC[C@H](CNS(=O)(=O)N2CCNCC2)[NH2+]C1 ZINC000923664527 658388757 /nfs/dbraw/zinc/38/87/57/658388757.db2.gz BVHQYHXCWKEGTA-LLVKDONJSA-N 1 3 290.433 -0.496 20 0 CBADHO [NH3+][C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1C(F)(F)F ZINC000923678350 658396717 /nfs/dbraw/zinc/39/67/17/658396717.db2.gz WXTBDYRZATZCMJ-JGVFFNPUSA-N 1 3 287.307 -0.501 20 0 CBADHO [NH3+][C@H](CNS(=O)(=O)N1CCNCC1)c1ccccc1 ZINC000923570026 658334181 /nfs/dbraw/zinc/33/41/81/658334181.db2.gz PCBRZFANLLBORT-GFCCVEGCSA-N 1 3 284.385 -0.574 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622738 658358493 /nfs/dbraw/zinc/35/84/93/658358493.db2.gz PMRQOVYHJYVJTK-GFCCVEGCSA-N 1 3 290.433 -0.590 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622738 658358502 /nfs/dbraw/zinc/35/85/02/658358502.db2.gz PMRQOVYHJYVJTK-GFCCVEGCSA-N 1 3 290.433 -0.590 20 0 CBADHO CC1(CNS(=O)(=O)N2CCNCC2)CC[NH2+]CC1 ZINC000923638690 658368264 /nfs/dbraw/zinc/36/82/64/658368264.db2.gz RROVKQIACYAUGB-UHFFFAOYSA-N 1 3 276.406 -0.884 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)N3CCNCC3)C[C@@H]21 ZINC000923637507 658369284 /nfs/dbraw/zinc/36/92/84/658369284.db2.gz QJPZXJCYSLAICW-GRYCIOLGSA-N 1 3 288.417 -0.804 20 0 CBADHO C[NH2+]Cc1ccccc1CNS(=O)(=O)C1CNC1 ZINC000923652530 658378698 /nfs/dbraw/zinc/37/86/98/658378698.db2.gz PHJOCPIHLQAENP-UHFFFAOYSA-N 1 3 269.370 -0.203 20 0 CBADHO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923655708 658380708 /nfs/dbraw/zinc/38/07/08/658380708.db2.gz MLRCYKCUKHCZCF-JTQLQIEISA-N 1 3 261.391 -0.248 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000923665642 658386860 /nfs/dbraw/zinc/38/68/60/658386860.db2.gz GABJLEDRGDTIFJ-GXSJLCMTSA-N 1 3 259.375 -0.686 20 0 CBADHO C[N@H+]1CC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000923665642 658386869 /nfs/dbraw/zinc/38/68/69/658386869.db2.gz GABJLEDRGDTIFJ-GXSJLCMTSA-N 1 3 259.375 -0.686 20 0 CBADHO COCCC[N@H+](C)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924693635 658631009 /nfs/dbraw/zinc/63/10/09/658631009.db2.gz FGTGERAVIIUNQW-NSHDSACASA-N 1 3 286.376 -0.563 20 0 CBADHO COCCC[N@@H+](C)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924693635 658631030 /nfs/dbraw/zinc/63/10/30/658631030.db2.gz FGTGERAVIIUNQW-NSHDSACASA-N 1 3 286.376 -0.563 20 0 CBADHO OCCCN1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925678532 658864848 /nfs/dbraw/zinc/86/48/48/658864848.db2.gz FPCMPWKKSDXQMB-STQMWFEESA-N 1 3 257.378 -0.589 20 0 CBADHO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCCCN1 ZINC000925788001 658871983 /nfs/dbraw/zinc/87/19/83/658871983.db2.gz FGXWARPAEWGDJS-XQQFMLRXSA-N 1 3 289.445 -0.117 20 0 CBADHO CCOC(=O)C1([C@H](C)N[C@@H]2CNOC2)CC[NH2+]CC1 ZINC000925861271 658874776 /nfs/dbraw/zinc/87/47/76/658874776.db2.gz ZUGLQZNOQLLQTB-WDEREUQCSA-N 1 3 271.361 -0.199 20 0 CBADHO CN1CCC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000044539445 656010157 /nfs/dbraw/zinc/01/01/57/656010157.db2.gz LJQNRMURISXMPR-LLVKDONJSA-N 1 3 276.406 -0.932 20 0 CBADHO CN1CCC[C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044558101 656010285 /nfs/dbraw/zinc/01/02/85/656010285.db2.gz HRGRKXWFLSXUIL-NWDGAFQWSA-N 1 3 275.418 0.000 20 0 CBADHO C[N@H+](CCNS(=O)(=O)N1CCNCC1)C1CCCC1 ZINC000071379509 656041894 /nfs/dbraw/zinc/04/18/94/656041894.db2.gz FFDVVEXUHWCNEJ-UHFFFAOYSA-N 1 3 290.433 -0.400 20 0 CBADHO C[N@@H+](CCNS(=O)(=O)N1CCNCC1)C1CCCC1 ZINC000071379509 656041899 /nfs/dbraw/zinc/04/18/99/656041899.db2.gz FFDVVEXUHWCNEJ-UHFFFAOYSA-N 1 3 290.433 -0.400 20 0 CBADHO CC(C)(C[NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091666910 656058788 /nfs/dbraw/zinc/05/87/88/656058788.db2.gz JYSICTHSVXUPOG-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)(C[NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091666909 656058807 /nfs/dbraw/zinc/05/88/07/656058807.db2.gz JYSICTHSVXUPOG-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668303 656059043 /nfs/dbraw/zinc/05/90/43/656059043.db2.gz ROVZDHFQGUTCGL-VXGBXAGGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000091668126 656059099 /nfs/dbraw/zinc/05/90/99/656059099.db2.gz CBQORJXYPGISQS-BZPMIXESSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000091667901 656059248 /nfs/dbraw/zinc/05/92/48/656059248.db2.gz OJVFDJVHCRVYOU-JSGCOSHPSA-N 1 3 297.399 -0.266 20 0 CBADHO C[C@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122305502 656066984 /nfs/dbraw/zinc/06/69/84/656066984.db2.gz MFZNCADMCQOQMV-NWDGAFQWSA-N 1 3 255.362 -0.238 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH3+])C2)CC1=O ZINC000178555516 656089219 /nfs/dbraw/zinc/08/92/19/656089219.db2.gz GYFRXJZFLBUDGZ-VXGBXAGGSA-N 1 3 282.388 -0.796 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252539408 656122921 /nfs/dbraw/zinc/12/29/21/656122921.db2.gz BNXRJKWPXBCNNV-SDDRHHMPSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH+](C)C ZINC000446287786 656172017 /nfs/dbraw/zinc/17/20/17/656172017.db2.gz LSLKFVTXRKYAOL-QMMMGPOBSA-N 1 3 251.334 -0.265 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000702415516 656181022 /nfs/dbraw/zinc/18/10/22/656181022.db2.gz BMSPCKFIGOBGAS-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000702415516 656181024 /nfs/dbraw/zinc/18/10/24/656181024.db2.gz BMSPCKFIGOBGAS-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO CNC(=O)NC(=O)CC[N@H+]1CCNCCC1(C)C ZINC000712568120 656210537 /nfs/dbraw/zinc/21/05/37/656210537.db2.gz WIMQRISGONSHBM-UHFFFAOYSA-N 1 3 256.350 -0.094 20 0 CBADHO CNC(=O)NC(=O)CC[N@@H+]1CCNCCC1(C)C ZINC000712568120 656210534 /nfs/dbraw/zinc/21/05/34/656210534.db2.gz WIMQRISGONSHBM-UHFFFAOYSA-N 1 3 256.350 -0.094 20 0 CBADHO [NH3+]CC12CCC(CC1)N2C(=O)C[C@H]1CNCCO1 ZINC000877192941 656245700 /nfs/dbraw/zinc/24/57/00/656245700.db2.gz VCTFIAUENQWJTL-AKJDGMEZSA-N 1 3 253.346 -0.153 20 0 CBADHO COC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCCN1 ZINC000877242071 656246074 /nfs/dbraw/zinc/24/60/74/656246074.db2.gz BKPSMRVTRGEJQH-NTZNESFSSA-N 1 3 255.362 -0.001 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)C1 ZINC000884787054 656254950 /nfs/dbraw/zinc/25/49/50/656254950.db2.gz FJDHHAAOQPWVPU-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO Cc1nccn1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900813477 656312967 /nfs/dbraw/zinc/31/29/67/656312967.db2.gz ZLLBAKPEMDAIKD-DGCLKSJQSA-N 1 3 279.388 -0.058 20 0 CBADHO Cc1nccn1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900813477 656312970 /nfs/dbraw/zinc/31/29/70/656312970.db2.gz ZLLBAKPEMDAIKD-DGCLKSJQSA-N 1 3 279.388 -0.058 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@H]2C1=O ZINC000904384545 656326114 /nfs/dbraw/zinc/32/61/14/656326114.db2.gz MHTLKIKCFPVUFW-UHIISALHSA-N 1 3 265.357 -0.077 20 0 CBADHO C[C@@H]1C[C@@H](CN2CCN3[C@@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433929 656327593 /nfs/dbraw/zinc/32/75/93/656327593.db2.gz QWNTYEZOHNTVMV-WOPDTQHZSA-N 1 3 288.417 -0.791 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905108938 656338746 /nfs/dbraw/zinc/33/87/46/656338746.db2.gz AINKDISGBRAHAM-AGIUHOORSA-N 1 3 260.378 -0.181 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000905343623 656350864 /nfs/dbraw/zinc/35/08/64/656350864.db2.gz KTYLEHDJHDUJPB-QWRGUYRKSA-N 1 3 279.381 -0.395 20 0 CBADHO O[C@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)CN1CCCC1 ZINC000905346410 656351389 /nfs/dbraw/zinc/35/13/89/656351389.db2.gz QEZMJVMQCLWXES-CHWSQXEVSA-N 1 3 272.389 -0.301 20 0 CBADHO O[C@H](CN[C@@H]1CC[C@@H](O)[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000905467166 656358956 /nfs/dbraw/zinc/35/89/56/656358956.db2.gz TUWSYOWGFVSUMC-SYQHCUMBSA-N 1 3 272.389 -0.303 20 0 CBADHO O[C@@H](C[NH2+]CCO[C@H]1CCOC1)CN1CCCC1 ZINC000905606166 656363791 /nfs/dbraw/zinc/36/37/91/656363791.db2.gz DEJDHCFPASWDGT-STQMWFEESA-N 1 3 258.362 -0.162 20 0 CBADHO O=c1ccn(CCCNC[C@@H](O)C[NH+]2CCCC2)c(=O)[nH]1 ZINC000905702928 656366562 /nfs/dbraw/zinc/36/65/62/656366562.db2.gz RRIBVYGOYHHEMJ-GFCCVEGCSA-N 1 3 296.371 -0.615 20 0 CBADHO CN(C)CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906650658 656395004 /nfs/dbraw/zinc/39/50/04/656395004.db2.gz ISEOJBVKWMOUNS-UHFFFAOYSA-N 1 3 264.329 -0.238 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302074 656407243 /nfs/dbraw/zinc/40/72/43/656407243.db2.gz VZHKZFDLYIOUEA-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(N)=O ZINC000996522112 656417547 /nfs/dbraw/zinc/41/75/47/656417547.db2.gz VUZKMUXQSFYEHA-LLVKDONJSA-N 1 3 294.399 -0.606 20 0 CBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC000997011176 656463284 /nfs/dbraw/zinc/46/32/84/656463284.db2.gz WZZCTTBFVDHRGC-JQWIXIFHSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000996996992 656463296 /nfs/dbraw/zinc/46/32/96/656463296.db2.gz BBYDBHVCHGSCNH-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998724018 656572198 /nfs/dbraw/zinc/57/21/98/656572198.db2.gz UAOCSDXPIWJZLT-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998995063 656601175 /nfs/dbraw/zinc/60/11/75/656601175.db2.gz OTARKLNMCYRVHY-MCIGGMRASA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC000999189572 656615147 /nfs/dbraw/zinc/61/51/47/656615147.db2.gz LOLGKJNWQCBMFV-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC000999189572 656615153 /nfs/dbraw/zinc/61/51/53/656615153.db2.gz LOLGKJNWQCBMFV-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999301880 656621475 /nfs/dbraw/zinc/62/14/75/656621475.db2.gz DMYZFHSLBGZDTH-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999301880 656621479 /nfs/dbraw/zinc/62/14/79/656621479.db2.gz DMYZFHSLBGZDTH-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999832302 656655939 /nfs/dbraw/zinc/65/59/39/656655939.db2.gz CPLFEQYLXLFNSA-WXRRBKDZSA-N 1 3 294.399 -0.450 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000314956 656710068 /nfs/dbraw/zinc/71/00/68/656710068.db2.gz AMEPWBOLFAEITD-SNVBAGLBSA-N 1 3 252.318 -0.475 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC001000386253 656712629 /nfs/dbraw/zinc/71/26/29/656712629.db2.gz CFFZKQDNDGDIPS-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)CCn1nccc1C(=O)NOCC[NH+](C)C ZINC000908527022 656740003 /nfs/dbraw/zinc/74/00/03/656740003.db2.gz DQQAMIXSKNMCTD-UHFFFAOYSA-N 1 3 269.349 -0.332 20 0 CBADHO NC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000704907 656759389 /nfs/dbraw/zinc/75/93/89/656759389.db2.gz ZYYLJBKAJVTBJB-NSHDSACASA-N 1 3 280.372 -0.852 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCO)CC2)CC[N@@H+]1C ZINC001002861415 656842815 /nfs/dbraw/zinc/84/28/15/656842815.db2.gz XTFJNIVIZXQGJQ-DGCLKSJQSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCO)CC2)CC[N@H+]1C ZINC001002861415 656842816 /nfs/dbraw/zinc/84/28/16/656842816.db2.gz XTFJNIVIZXQGJQ-DGCLKSJQSA-N 1 3 269.389 -0.101 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911058476 656937793 /nfs/dbraw/zinc/93/77/93/656937793.db2.gz AACMKTHAGJJMHD-MVWJERBFSA-N 1 3 280.372 -0.794 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911160312 656966389 /nfs/dbraw/zinc/96/63/89/656966389.db2.gz AZJQPVRYPOCWLD-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911160355 656967093 /nfs/dbraw/zinc/96/70/93/656967093.db2.gz BVGBHFYBNDOFCV-AVGNSLFASA-N 1 3 296.415 -0.312 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NCCC[NH3+])C1 ZINC000911266768 657001778 /nfs/dbraw/zinc/00/17/78/657001778.db2.gz KGRGFUOELAHECE-UHFFFAOYSA-N 1 3 270.377 -0.701 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911279046 657007467 /nfs/dbraw/zinc/00/74/67/657007467.db2.gz AVHSNIIRNSGYEW-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911282190 657008399 /nfs/dbraw/zinc/00/83/99/657008399.db2.gz NSMNULMZFCTVDA-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000911324526 657020779 /nfs/dbraw/zinc/02/07/79/657020779.db2.gz DZOXABUYEKXTIG-NWDGAFQWSA-N 1 3 294.399 -0.273 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370108 657028714 /nfs/dbraw/zinc/02/87/14/657028714.db2.gz PAFIRQTVANDNIK-IJLUTSLNSA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911373792 657029681 /nfs/dbraw/zinc/02/96/81/657029681.db2.gz KJTGNZDXXDGPLD-VXGBXAGGSA-N 1 3 284.404 -0.491 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911381132 657032873 /nfs/dbraw/zinc/03/28/73/657032873.db2.gz 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ZINC000911880026 657154793 /nfs/dbraw/zinc/15/47/93/657154793.db2.gz JULJATJYIOAYPL-BBBLOLIVSA-N 1 3 261.391 -0.359 20 0 CBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000912053683 657187496 /nfs/dbraw/zinc/18/74/96/657187496.db2.gz CYJCADLGFDJISZ-GUTXKFCHSA-N 1 3 297.399 -0.889 20 0 CBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000912053683 657187499 /nfs/dbraw/zinc/18/74/99/657187499.db2.gz CYJCADLGFDJISZ-GUTXKFCHSA-N 1 3 297.399 -0.889 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001015997458 657627738 /nfs/dbraw/zinc/62/77/38/657627738.db2.gz CNJRUUVFOWUZJA-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001015997458 657627745 /nfs/dbraw/zinc/62/77/45/657627745.db2.gz CNJRUUVFOWUZJA-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001016248621 657671491 /nfs/dbraw/zinc/67/14/91/657671491.db2.gz CFCGTRKGSIRNQJ-VXGBXAGGSA-N 1 3 255.362 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CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001019394834 657893160 /nfs/dbraw/zinc/89/31/60/657893160.db2.gz ODLZMICSSPVUSO-STQMWFEESA-N 1 3 294.403 -0.191 20 0 CBADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001019394655 657893227 /nfs/dbraw/zinc/89/32/27/657893227.db2.gz LVSQURNTYUWZGA-TUAOUCFPSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019438929 657894741 /nfs/dbraw/zinc/89/47/41/657894741.db2.gz WOLMSPXKUPVWDA-ZJUUUORDSA-N 1 3 252.318 -0.477 20 0 CBADHO O=C(N1CC[C@H](N[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019659891 657926876 /nfs/dbraw/zinc/92/68/76/657926876.db2.gz QKAVQZHFWJLIMJ-NWDGAFQWSA-N 1 3 292.383 -0.839 20 0 CBADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001019772624 657937341 /nfs/dbraw/zinc/93/73/41/657937341.db2.gz MFVFTVGYIQZDAF-RYUDHWBXSA-N 1 3 292.387 -0.245 20 0 CBADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001019772624 657937362 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O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1CNC1 ZINC000923658751 658384319 /nfs/dbraw/zinc/38/43/19/658384319.db2.gz INMNPDDWNKBJOZ-GFCCVEGCSA-N 1 3 287.429 0.000 20 0 CBADHO O=S(=O)(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1CNC1 ZINC000923658751 658384331 /nfs/dbraw/zinc/38/43/31/658384331.db2.gz INMNPDDWNKBJOZ-GFCCVEGCSA-N 1 3 287.429 0.000 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923668481 658390209 /nfs/dbraw/zinc/39/02/09/658390209.db2.gz VZASEHNNTMAVNJ-NSHDSACASA-N 1 3 290.433 -0.496 20 0 CBADHO [NH3+]C[C@H]1CN(S(=O)(=O)C2CNC2)C[C@@H]1C(F)(F)F ZINC000923670174 658391672 /nfs/dbraw/zinc/39/16/72/658391672.db2.gz IHMOJSNCSUMUAM-XPUUQOCRSA-N 1 3 287.307 -0.643 20 0 CBADHO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)N1CCNCC1 ZINC000923672672 658391712 /nfs/dbraw/zinc/39/17/12/658391712.db2.gz XCAYMADDOYGCOE-MNOVXSKESA-N 1 3 274.390 -0.989 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000923693960 658398817 /nfs/dbraw/zinc/39/88/17/658398817.db2.gz CKRLHFSCDCMEMT-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/81/65/70/658816570.db2.gz BGUPODHBWRYEON-ZJUUUORDSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925288045 658816573 /nfs/dbraw/zinc/81/65/73/658816573.db2.gz BGUPODHBWRYEON-ZJUUUORDSA-N 1 3 254.334 -0.437 20 0 CBADHO CN1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925408052 658840502 /nfs/dbraw/zinc/84/05/02/658840502.db2.gz NXXDHTFCCVREIX-MGPQQGTHSA-N 1 3 296.415 -0.069 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925415968 658842611 /nfs/dbraw/zinc/84/26/11/658842611.db2.gz BGHOZBXTRLULRW-AVGNSLFASA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925415968 658842612 /nfs/dbraw/zinc/84/26/12/658842612.db2.gz BGHOZBXTRLULRW-AVGNSLFASA-N 1 3 284.404 -0.213 20 0 CBADHO C[N@@H+]1CC[C@H]1CNC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000925426680 658847411 /nfs/dbraw/zinc/84/74/11/658847411.db2.gz WVHNHSMNDMWWPU-LBPRGKRZSA-N 1 3 284.404 -0.211 20 0 CBADHO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000925426680 658847415 /nfs/dbraw/zinc/84/74/15/658847415.db2.gz WVHNHSMNDMWWPU-LBPRGKRZSA-N 1 3 284.404 -0.211 20 0 CBADHO CN(C)C(=O)CN1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925568522 658859570 /nfs/dbraw/zinc/85/95/70/658859570.db2.gz VUYBGPBKFQJYCT-CYBMUJFWSA-N 1 3 284.404 -0.883 20 0 CBADHO CC(C)[C@H](CN[C@@H]1C[NH2+]CCOC1)N1CCN(C)CC1 ZINC000925605483 658862178 /nfs/dbraw/zinc/86/21/78/658862178.db2.gz GPSMMIDFLMCSJN-CABCVRRESA-N 1 3 284.448 -0.164 20 0 CBADHO [NH3+][C@H]1C[C@H](NCC(=O)N2CCNCC2)C12CCC2 ZINC000925693773 658865512 /nfs/dbraw/zinc/86/55/12/658865512.db2.gz RQQKDUFNBIIJEM-QWRGUYRKSA-N 1 3 252.362 -0.722 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000925715225 658866925 /nfs/dbraw/zinc/86/69/25/658866925.db2.gz AYXRANZOMUSCGA-WCBMZHEXSA-N 1 3 251.334 -0.129 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925719024 658867879 /nfs/dbraw/zinc/86/78/79/658867879.db2.gz PVHHQNBGAUVFRM-MNOVXSKESA-N 1 3 283.372 -0.085 20 0 CBADHO N[C@@H]1C[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727979 658868968 /nfs/dbraw/zinc/86/89/68/658868968.db2.gz RRYLOMWXDUHHJN-DYEKYZERSA-N 1 3 295.383 -0.526 20 0 CBADHO CCOC(=O)[C@H]1NCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817432 658873199 /nfs/dbraw/zinc/87/31/99/658873199.db2.gz SDMGHVZGCUCRSX-STQMWFEESA-N 1 3 284.404 -0.707 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926293412 658890325 /nfs/dbraw/zinc/89/03/25/658890325.db2.gz MDUQQZOIVPFFEK-HNNXBMFYSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC[C@H]1C[NH3+] ZINC000926295077 658890816 /nfs/dbraw/zinc/89/08/16/658890816.db2.gz YOBHYPCNJNFGPN-NEPJUHHUSA-N 1 3 284.404 -0.550 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926384045 658897491 /nfs/dbraw/zinc/89/74/91/658897491.db2.gz YRSWSCMHEBCLIU-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000969197616 658957566 /nfs/dbraw/zinc/95/75/66/658957566.db2.gz LXVNPAAYCFEPLO-NWDGAFQWSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000969564572 659003542 /nfs/dbraw/zinc/00/35/42/659003542.db2.gz WOIAGJDDODPAON-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969950444 659025160 /nfs/dbraw/zinc/02/51/60/659025160.db2.gz IEAUDZSGOPOCLK-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969950444 659025167 /nfs/dbraw/zinc/02/51/67/659025167.db2.gz IEAUDZSGOPOCLK-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN1C ZINC000928559532 659043197 /nfs/dbraw/zinc/04/31/97/659043197.db2.gz ZLKKVGGVMKSWBY-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972333877 659117007 /nfs/dbraw/zinc/11/70/07/659117007.db2.gz YGMNYGBAJOSLDS-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972333877 659117011 /nfs/dbraw/zinc/11/70/11/659117011.db2.gz YGMNYGBAJOSLDS-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333116 659381397 /nfs/dbraw/zinc/38/13/97/659381397.db2.gz XRQRAZPYGFDRCC-WCQYABFASA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333116 659381403 /nfs/dbraw/zinc/38/14/03/659381403.db2.gz XRQRAZPYGFDRCC-WCQYABFASA-N 1 3 296.415 -0.123 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+](C)C ZINC000985640422 659395636 /nfs/dbraw/zinc/39/56/36/659395636.db2.gz ZQRHZIUFDMNRSA-CQSZACIVSA-N 1 3 298.431 -0.019 20 0 CBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985794261 659399513 /nfs/dbraw/zinc/39/95/13/659399513.db2.gz ZROWHIOJNKJPAK-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985794261 659399523 /nfs/dbraw/zinc/39/95/23/659399523.db2.gz ZROWHIOJNKJPAK-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO COCCN(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000931627149 659492968 /nfs/dbraw/zinc/49/29/68/659492968.db2.gz LEESFGMWHNCRIW-UHFFFAOYSA-N 1 3 287.404 -0.208 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CN1CCCC1 ZINC000987534166 659511083 /nfs/dbraw/zinc/51/10/83/659511083.db2.gz UWORBAUSBOLJNL-RYUDHWBXSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987570096 659511643 /nfs/dbraw/zinc/51/16/43/659511643.db2.gz KHWSJEIOBIPIOS-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN(C)C1CCC1 ZINC000988968275 659562882 /nfs/dbraw/zinc/56/28/82/659562882.db2.gz RRKZAQDWBWXVCD-GHMZBOCLSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490601 659589446 /nfs/dbraw/zinc/58/94/46/659589446.db2.gz CXPKOAZTDPYXLI-CYBMUJFWSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1c[nH]cn1 ZINC000989492226 659589550 /nfs/dbraw/zinc/58/95/50/659589550.db2.gz LOJFREMSAATCSX-ONGXEEELSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1c[nH]cn1 ZINC000989492224 659590474 /nfs/dbraw/zinc/59/04/74/659590474.db2.gz LOJFREMSAATCSX-KOLCDFICSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC000990245396 659704970 /nfs/dbraw/zinc/70/49/70/659704970.db2.gz WLHVBFNCOXCBPG-CMPLNLGQSA-N 1 3 282.388 -0.465 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000991723017 659842911 /nfs/dbraw/zinc/84/29/11/659842911.db2.gz RDWLIGBQBMZDOA-LBPRGKRZSA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000991723017 659842913 /nfs/dbraw/zinc/84/29/13/659842913.db2.gz RDWLIGBQBMZDOA-LBPRGKRZSA-N 1 3 294.399 -0.639 20 0 CBADHO c1c2c(nnc1N1CCN3CC[NH2+]C[C@@H]3C1)CCNC2 ZINC001164399177 718836474 /nfs/dbraw/zinc/83/64/74/718836474.db2.gz PVOAWOVULXWXIQ-GFCCVEGCSA-N 1 3 274.372 -0.784 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076462501 805577363 /nfs/dbraw/zinc/57/73/63/805577363.db2.gz XFTSVGCZKDTDMR-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076462501 805577366 /nfs/dbraw/zinc/57/73/66/805577366.db2.gz XFTSVGCZKDTDMR-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO O=C1OCCN1CCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000403159340 790611707 /nfs/dbraw/zinc/61/17/07/790611707.db2.gz FWTZZBCXZTUPNQ-GFCCVEGCSA-N 1 3 268.361 -0.582 20 0 CBADHO C[N@H+](CCNS(=O)(=O)C1CNC1)C1CCCC1 ZINC000405102530 790613172 /nfs/dbraw/zinc/61/31/72/790613172.db2.gz NSFRSPTWYUWJHN-UHFFFAOYSA-N 1 3 261.391 -0.248 20 0 CBADHO C[N@@H+](CCNS(=O)(=O)C1CNC1)C1CCCC1 ZINC000405102530 790613178 /nfs/dbraw/zinc/61/31/78/790613178.db2.gz NSFRSPTWYUWJHN-UHFFFAOYSA-N 1 3 261.391 -0.248 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000405082589 790613990 /nfs/dbraw/zinc/61/39/90/790613990.db2.gz BGTPRAMCHXJIIV-SNVBAGLBSA-N 1 3 261.391 -0.296 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000692012304 790675613 /nfs/dbraw/zinc/67/56/13/790675613.db2.gz CCFUKJHJKPLGDP-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](CCNS(=O)(=O)N1CCNCC1)[NH+](C)C ZINC000697878103 790694135 /nfs/dbraw/zinc/69/41/35/790694135.db2.gz SBROISZOECEFEK-SNVBAGLBSA-N 1 3 264.395 -0.934 20 0 CBADHO C[C@H]1CN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000708869805 790735816 /nfs/dbraw/zinc/73/58/16/790735816.db2.gz IOXLUHZMWDFBOM-WDEREUQCSA-N 1 3 275.418 -0.063 20 0 CBADHO [NH3+]CC[C@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000723672849 790802048 /nfs/dbraw/zinc/80/20/48/790802048.db2.gz SMCKJWBHEMKMJU-NWDGAFQWSA-N 1 3 255.362 -0.048 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CC[C@@H](CC[NH3+])C2)CC1 ZINC000723694733 790802459 /nfs/dbraw/zinc/80/24/59/790802459.db2.gz HRZRLXHNKRMIQM-CYBMUJFWSA-N 1 3 282.388 -0.652 20 0 CBADHO [NH3+]CC[C@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 ZINC000723672684 790802936 /nfs/dbraw/zinc/80/29/36/790802936.db2.gz QRFLDKDEJIZOLB-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO CN(C)CCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000823692390 790848256 /nfs/dbraw/zinc/84/82/56/790848256.db2.gz VJHFJJXZKMENJI-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022712942 791040848 /nfs/dbraw/zinc/04/08/48/791040848.db2.gz DJMIOVXUAHXKJE-SDDRHHMPSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022712455 791040999 /nfs/dbraw/zinc/04/09/99/791040999.db2.gz QRLOIWRGLKNLGF-UTUOFQBUSA-N 1 3 255.362 -0.300 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618209 805756807 /nfs/dbraw/zinc/75/68/07/805756807.db2.gz BDZNIJDDQFBXIO-CHWSQXEVSA-N 1 3 269.389 -0.102 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618596 805757519 /nfs/dbraw/zinc/75/75/19/805757519.db2.gz NGXWSOPHKUPKGZ-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)C1 ZINC001078174128 805850137 /nfs/dbraw/zinc/85/01/37/805850137.db2.gz CBRCKVONMKBQGQ-BFHYXJOUSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)C1 ZINC001078174128 805850144 /nfs/dbraw/zinc/85/01/44/805850144.db2.gz CBRCKVONMKBQGQ-BFHYXJOUSA-N 1 3 281.400 -0.101 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175741 805851524 /nfs/dbraw/zinc/85/15/24/805851524.db2.gz KPIVKABHVBTLOZ-QJPTWQEYSA-N 1 3 255.362 -0.492 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175741 805851533 /nfs/dbraw/zinc/85/15/33/805851533.db2.gz KPIVKABHVBTLOZ-QJPTWQEYSA-N 1 3 255.362 -0.492 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707596 805942095 /nfs/dbraw/zinc/94/20/95/805942095.db2.gz MAFZOKRVLSULPN-MRVWCRGKSA-N 1 3 281.400 -0.243 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707595 805942447 /nfs/dbraw/zinc/94/24/47/805942447.db2.gz MAFZOKRVLSULPN-KWCYVHTRSA-N 1 3 281.400 -0.243 20 0 CBADHO CCCC[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994534 814927333 /nfs/dbraw/zinc/92/73/33/814927333.db2.gz ITRGNFOTBHUQCR-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080782774 806009795 /nfs/dbraw/zinc/00/97/95/806009795.db2.gz AMRPUMNSELGCBV-JHJVBQTASA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080782774 806009799 /nfs/dbraw/zinc/00/97/99/806009799.db2.gz AMRPUMNSELGCBV-JHJVBQTASA-N 1 3 269.389 -0.243 20 0 CBADHO CC[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994745 814929219 /nfs/dbraw/zinc/92/92/19/814929219.db2.gz NWUIZOLMRNBLQY-SNVBAGLBSA-N 1 3 268.361 -0.948 20 0 CBADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+](C)C ZINC001082724856 806193863 /nfs/dbraw/zinc/19/38/63/806193863.db2.gz PRFGIYYQQRFCGR-NQBHXWOUSA-N 1 3 284.404 -0.506 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082862086 806196558 /nfs/dbraw/zinc/19/65/58/806196558.db2.gz YDEFGDFZCQMPFH-GRYCIOLGSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082862086 806196562 /nfs/dbraw/zinc/19/65/62/806196562.db2.gz YDEFGDFZCQMPFH-GRYCIOLGSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(N)=O ZINC001082863516 806197184 /nfs/dbraw/zinc/19/71/84/806197184.db2.gz GUUUJFZXDSQCKE-IJLUTSLNSA-N 1 3 294.399 -0.608 20 0 CBADHO CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954920 806468303 /nfs/dbraw/zinc/46/83/03/806468303.db2.gz OLCVVOHTPUSXRJ-XQQFMLRXSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954920 806468309 /nfs/dbraw/zinc/46/83/09/806468309.db2.gz OLCVVOHTPUSXRJ-XQQFMLRXSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084054152 806482221 /nfs/dbraw/zinc/48/22/21/806482221.db2.gz YLVXEMLSZOUZOZ-XQQFMLRXSA-N 1 3 269.389 -0.101 20 0 CBADHO CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084054152 806482225 /nfs/dbraw/zinc/48/22/25/806482225.db2.gz YLVXEMLSZOUZOZ-XQQFMLRXSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085333057 806553072 /nfs/dbraw/zinc/55/30/72/806553072.db2.gz XNELCXZGWJLRKT-YNEHKIRRSA-N 1 3 296.415 -0.170 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781590 798974592 /nfs/dbraw/zinc/97/45/92/798974592.db2.gz KUQQYRNMEUMMPU-SEBNEYGDSA-N 1 3 293.411 -0.101 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781590 798974594 /nfs/dbraw/zinc/97/45/94/798974594.db2.gz KUQQYRNMEUMMPU-SEBNEYGDSA-N 1 3 293.411 -0.101 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781592 798975498 /nfs/dbraw/zinc/97/54/98/798975498.db2.gz KUQQYRNMEUMMPU-XPABHHOTSA-N 1 3 293.411 -0.101 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781592 798975502 /nfs/dbraw/zinc/97/55/02/798975502.db2.gz KUQQYRNMEUMMPU-XPABHHOTSA-N 1 3 293.411 -0.101 20 0 CBADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040913 798988195 /nfs/dbraw/zinc/98/81/95/798988195.db2.gz ZGTPSHQKUONGTE-XOBFJNJYSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040913 798988200 /nfs/dbraw/zinc/98/82/00/798988200.db2.gz ZGTPSHQKUONGTE-XOBFJNJYSA-N 1 3 281.400 -0.102 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2CCO)CC1 ZINC001028117556 799110302 /nfs/dbraw/zinc/11/03/02/799110302.db2.gz QVPDDZNWZWJWOY-ZDUSSCGKSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001028318640 799123101 /nfs/dbraw/zinc/12/31/01/799123101.db2.gz BATJQNGOLJGEMI-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001028318640 799123104 /nfs/dbraw/zinc/12/31/04/799123104.db2.gz BATJQNGOLJGEMI-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674564 799531910 /nfs/dbraw/zinc/53/19/10/799531910.db2.gz MDEKYFIWHGZTHN-CQSZACIVSA-N 1 3 281.400 -0.241 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688224 799533005 /nfs/dbraw/zinc/53/30/05/799533005.db2.gz ATDJGQLZPRXDJQ-KBPBESRZSA-N 1 3 297.399 -0.720 20 0 CBADHO O=C(NCC1CN(CCCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688224 799533009 /nfs/dbraw/zinc/53/30/09/799533009.db2.gz ATDJGQLZPRXDJQ-KBPBESRZSA-N 1 3 297.399 -0.720 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947800 799566021 /nfs/dbraw/zinc/56/60/21/799566021.db2.gz KMIFJODWODVGMR-NSHDSACASA-N 1 3 269.389 -0.243 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001033595751 799769924 /nfs/dbraw/zinc/76/99/24/799769924.db2.gz UWFVGKSDVNHVIM-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001033595751 799769929 /nfs/dbraw/zinc/76/99/29/799769929.db2.gz UWFVGKSDVNHVIM-STQMWFEESA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033595746 799770172 /nfs/dbraw/zinc/77/01/72/799770172.db2.gz UWFVGKSDVNHVIM-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033595746 799770176 /nfs/dbraw/zinc/77/01/76/799770176.db2.gz UWFVGKSDVNHVIM-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036064050 799976360 /nfs/dbraw/zinc/97/63/60/799976360.db2.gz LJSZPKQVCSSBLB-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753733 801667459 /nfs/dbraw/zinc/66/74/59/801667459.db2.gz FHEREYFOAJOGAA-GHMZBOCLSA-N 1 3 266.345 -0.086 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750457 801667958 /nfs/dbraw/zinc/66/79/58/801667958.db2.gz OQNYJFRQADMXPU-NXEZZACHSA-N 1 3 279.344 -0.593 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCC1 ZINC001044858272 801672878 /nfs/dbraw/zinc/67/28/78/801672878.db2.gz QZNKEZPLCQHCDJ-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047628605 801912718 /nfs/dbraw/zinc/91/27/18/801912718.db2.gz HLKRSKWHXASOPW-AGIUHOORSA-N 1 3 269.389 -0.148 20 0 CBADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047628605 801912725 /nfs/dbraw/zinc/91/27/25/801912725.db2.gz HLKRSKWHXASOPW-AGIUHOORSA-N 1 3 269.389 -0.148 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001054298452 802333055 /nfs/dbraw/zinc/33/30/55/802333055.db2.gz YZCCFHXONFNJEC-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CNCCN1C ZINC001122018549 813104982 /nfs/dbraw/zinc/10/49/82/813104982.db2.gz POLQDGQRLWRRRJ-DCAQKATOSA-N 1 3 258.341 -0.952 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122107307 813118196 /nfs/dbraw/zinc/11/81/96/813118196.db2.gz BEPYTSLOKWVUCZ-RNJOBUHISA-N 1 3 266.389 -0.463 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001122367755 813154320 /nfs/dbraw/zinc/15/43/20/813154320.db2.gz BUKDQBBXEHKADQ-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357370 813837475 /nfs/dbraw/zinc/83/74/75/813837475.db2.gz KCOQBXIKXKKKFE-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294723 814236950 /nfs/dbraw/zinc/23/69/50/814236950.db2.gz QOVMZNQRISCQBC-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133845269 814304877 /nfs/dbraw/zinc/30/48/77/814304877.db2.gz ADQWZYSBPZCJNU-LBPRGKRZSA-N 1 3 273.377 -0.957 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCOCCO)C1 ZINC001133845268 814305119 /nfs/dbraw/zinc/30/51/19/814305119.db2.gz ADQWZYSBPZCJNU-GFCCVEGCSA-N 1 3 273.377 -0.957 20 0 CBADHO N=c1cc(C[NH3+])ncn1C(=O)C1CCCS1(=O)=O ZINC001143481274 814770742 /nfs/dbraw/zinc/77/07/42/814770742.db2.gz TYOSYBCKKQRGLA-QMMMGPOBSA-N 1 3 270.314 -0.961 20 0 CBADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)N(C)C ZINC001148365190 814941739 /nfs/dbraw/zinc/94/17/39/814941739.db2.gz KQUQYRHLOULLQR-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc(C(N)=O)c1 ZINC001148545715 814949400 /nfs/dbraw/zinc/94/94/00/814949400.db2.gz VAHPPWMXOROYJT-UHFFFAOYSA-N 1 3 277.328 -0.140 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001148577868 814951321 /nfs/dbraw/zinc/95/13/21/814951321.db2.gz HEHPSFZCISNLTP-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001148577868 814951325 /nfs/dbraw/zinc/95/13/25/814951325.db2.gz HEHPSFZCISNLTP-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001148573748 814951540 /nfs/dbraw/zinc/95/15/40/814951540.db2.gz YDNAKNIRGSJQOR-NSHDSACASA-N 1 3 298.387 -0.771 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001148573748 814951541 /nfs/dbraw/zinc/95/15/41/814951541.db2.gz YDNAKNIRGSJQOR-NSHDSACASA-N 1 3 298.387 -0.771 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001148571172 814951687 /nfs/dbraw/zinc/95/16/87/814951687.db2.gz YXFTWBHNAFURNZ-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001148571172 814951693 /nfs/dbraw/zinc/95/16/93/814951693.db2.gz YXFTWBHNAFURNZ-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCOCCO ZINC001148638477 814953699 /nfs/dbraw/zinc/95/36/99/814953699.db2.gz ISJFUJOZHBJZPN-UHFFFAOYSA-N 1 3 261.366 -0.957 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001148643225 814953718 /nfs/dbraw/zinc/95/37/18/814953718.db2.gz VLTVIGFIEGQJCL-UHFFFAOYSA-N 1 3 293.433 -0.531 20 0 CBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148651577 814956218 /nfs/dbraw/zinc/95/62/18/814956218.db2.gz JVBILMQSJRTMDF-UHFFFAOYSA-N 1 3 269.389 -0.145 20 0 CBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148651577 814956220 /nfs/dbraw/zinc/95/62/20/814956220.db2.gz JVBILMQSJRTMDF-UHFFFAOYSA-N 1 3 269.389 -0.145 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001149124590 814971235 /nfs/dbraw/zinc/97/12/35/814971235.db2.gz VVWSRGKWWBIZOQ-UHFFFAOYSA-N 1 3 290.371 -0.057 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322442569 803897037 /nfs/dbraw/zinc/89/70/37/803897037.db2.gz MTLSZTNUMYDXLW-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](O)C[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001322711277 803931050 /nfs/dbraw/zinc/93/10/50/803931050.db2.gz SMOGQLWAMKILSO-SNVBAGLBSA-N 1 3 254.334 -0.229 20 0 CBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001150192896 815020688 /nfs/dbraw/zinc/02/06/88/815020688.db2.gz JIRBECQLXCWXAH-CYBMUJFWSA-N 1 3 299.415 -0.472 20 0 CBADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150193478 815020753 /nfs/dbraw/zinc/02/07/53/815020753.db2.gz OKFYBKPCZVCOHV-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241557 815021732 /nfs/dbraw/zinc/02/17/32/815021732.db2.gz PXVKVFPSFYTLQK-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049378 815052606 /nfs/dbraw/zinc/05/26/06/815052606.db2.gz MTZDZZQZOWTCKT-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049378 815052611 /nfs/dbraw/zinc/05/26/11/815052611.db2.gz MTZDZZQZOWTCKT-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001151049186 815053012 /nfs/dbraw/zinc/05/30/12/815053012.db2.gz JLKSJXBIGFMFKW-GFCCVEGCSA-N 1 3 265.361 -0.422 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001151049186 815053020 /nfs/dbraw/zinc/05/30/20/815053020.db2.gz JLKSJXBIGFMFKW-GFCCVEGCSA-N 1 3 265.361 -0.422 20 0 CBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049581 815054750 /nfs/dbraw/zinc/05/47/50/815054750.db2.gz SNTZYCSATUZZPW-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049581 815054757 /nfs/dbraw/zinc/05/47/57/815054757.db2.gz SNTZYCSATUZZPW-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001151072937 815055913 /nfs/dbraw/zinc/05/59/13/815055913.db2.gz ATSXJPXGJKEMTE-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001151072937 815055920 /nfs/dbraw/zinc/05/59/20/815055920.db2.gz ATSXJPXGJKEMTE-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066156 815057374 /nfs/dbraw/zinc/05/73/74/815057374.db2.gz RBQQVDHDBHKDIP-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066156 815057380 /nfs/dbraw/zinc/05/73/80/815057380.db2.gz RBQQVDHDBHKDIP-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074063 815058570 /nfs/dbraw/zinc/05/85/70/815058570.db2.gz UPBDTOKNANHQHB-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074063 815058576 /nfs/dbraw/zinc/05/85/76/815058576.db2.gz UPBDTOKNANHQHB-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073934 815058915 /nfs/dbraw/zinc/05/89/15/815058915.db2.gz SSPBUMNAFYIFML-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073934 815058922 /nfs/dbraw/zinc/05/89/22/815058922.db2.gz SSPBUMNAFYIFML-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074194 815059152 /nfs/dbraw/zinc/05/91/52/815059152.db2.gz XDXCWWHIQGYGOL-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074194 815059157 /nfs/dbraw/zinc/05/91/57/815059157.db2.gz XDXCWWHIQGYGOL-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001151361430 815073380 /nfs/dbraw/zinc/07/33/80/815073380.db2.gz GABVYDKIWMHKGQ-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073891325 805421867 /nfs/dbraw/zinc/42/18/67/805421867.db2.gz OJUIZOYRTAVJQT-KGLIPLIRSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073891325 805421872 /nfs/dbraw/zinc/42/18/72/805421872.db2.gz OJUIZOYRTAVJQT-KGLIPLIRSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073891327 805422589 /nfs/dbraw/zinc/42/25/89/805422589.db2.gz OJUIZOYRTAVJQT-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073891327 805422590 /nfs/dbraw/zinc/42/25/90/805422590.db2.gz OJUIZOYRTAVJQT-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074792955 805471788 /nfs/dbraw/zinc/47/17/88/805471788.db2.gz NAQCQNALCRDZKD-ZDEQEGDKSA-N 1 3 294.399 -0.452 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001074852941 805475043 /nfs/dbraw/zinc/47/50/43/805475043.db2.gz DCDSHVDIIITJHQ-MDZLAQPJSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074878365 805475717 /nfs/dbraw/zinc/47/57/17/805475717.db2.gz PNGIECXZWCYWJL-WOPDTQHZSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074878365 805475721 /nfs/dbraw/zinc/47/57/21/805475721.db2.gz PNGIECXZWCYWJL-WOPDTQHZSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C)N(C)C ZINC001074885646 805476017 /nfs/dbraw/zinc/47/60/17/805476017.db2.gz PYGWHATYDVANFW-CYDGBPFRSA-N 1 3 296.415 -0.206 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)N(C)C ZINC001074885373 805476424 /nfs/dbraw/zinc/47/64/24/805476424.db2.gz AACMEGOFMWLYJW-DCAQKATOSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001074918324 805477341 /nfs/dbraw/zinc/47/73/41/805477341.db2.gz DYDFTQOYMOXDAZ-NHCYSSNCSA-N 1 3 266.345 -0.088 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106893 805482923 /nfs/dbraw/zinc/48/29/23/805482923.db2.gz OHCOGRWGXSKHGG-DCAQKATOSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106893 805482929 /nfs/dbraw/zinc/48/29/29/805482929.db2.gz OHCOGRWGXSKHGG-DCAQKATOSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001152138106 815107041 /nfs/dbraw/zinc/10/70/41/815107041.db2.gz RMNBJYHDOCSUDH-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152146395 815108455 /nfs/dbraw/zinc/10/84/55/815108455.db2.gz JICOLVZJSCPFDH-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NCCN[C@H]1CCCNC1=O ZINC001152223554 815111409 /nfs/dbraw/zinc/11/14/09/815111409.db2.gz MUWMGWNQFAHDJN-ZDUSSCGKSA-N 1 3 296.415 -0.153 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001152433165 815121957 /nfs/dbraw/zinc/12/19/57/815121957.db2.gz VYXRZNZBSAZHHK-LBPRGKRZSA-N 1 3 294.403 -0.189 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001152458616 815124013 /nfs/dbraw/zinc/12/40/13/815124013.db2.gz RRLNPLALJRSKPJ-LBPRGKRZSA-N 1 3 257.378 -0.051 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001152459142 815124305 /nfs/dbraw/zinc/12/43/05/815124305.db2.gz ZSRHLVSQCVHPDY-ZDUSSCGKSA-N 1 3 287.404 -0.425 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152459118 815124330 /nfs/dbraw/zinc/12/43/30/815124330.db2.gz ZDADISFPNKRLRH-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO NCc1cn(-c2ccc(N3CC[NH2+]CC3)nn2)cn1 ZINC001154906528 815248619 /nfs/dbraw/zinc/24/86/19/815248619.db2.gz JDFRLPBKAYLYLA-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO NCc1cc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ncn1 ZINC001155373454 815279011 /nfs/dbraw/zinc/27/90/11/815279011.db2.gz QYCLALRCCSFCPD-ZDUSSCGKSA-N 1 3 276.388 -0.205 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H](CCO)C1 ZINC001160610472 815645551 /nfs/dbraw/zinc/64/55/51/815645551.db2.gz DCMRVCHMCRZMAD-VXGBXAGGSA-N 1 3 267.373 -0.584 20 0 CBADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155812493 815315621 /nfs/dbraw/zinc/31/56/21/815315621.db2.gz NTXUMQOQWRMVSK-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731133 810559182 /nfs/dbraw/zinc/55/91/82/810559182.db2.gz PQWLWTMOTVIYOB-STQMWFEESA-N 1 3 297.399 -0.984 20 0 CBADHO O=C(N[C@H]1CCN(CCCF)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090729919 810559503 /nfs/dbraw/zinc/55/95/03/810559503.db2.gz CFRIIQJDTDORSA-QWHCGFSZSA-N 1 3 299.390 -0.007 20 0 CBADHO O=C(N[C@H]1CCN(CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090729920 810559686 /nfs/dbraw/zinc/55/96/86/810559686.db2.gz CFRIIQJDTDORSA-STQMWFEESA-N 1 3 299.390 -0.007 20 0 CBADHO NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001095007287 810736561 /nfs/dbraw/zinc/73/65/61/810736561.db2.gz LXRSBDRYKTVIHY-UMNHJUIQSA-N 1 3 291.355 -0.593 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001098393854 810843996 /nfs/dbraw/zinc/84/39/96/810843996.db2.gz FCBFHHBBDCBSIB-LOWDOPEQSA-N 1 3 267.373 -0.348 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001098393854 810844004 /nfs/dbraw/zinc/84/40/04/810844004.db2.gz FCBFHHBBDCBSIB-LOWDOPEQSA-N 1 3 267.373 -0.348 20 0 CBADHO O=C(NCc1cc2n(n1)CCCO2)[C@H]1C[NH2+]CC12CNC2 ZINC001157082063 815403805 /nfs/dbraw/zinc/40/38/05/815403805.db2.gz GZOWPUMSMXMHGY-LLVKDONJSA-N 1 3 291.355 -0.909 20 0 CBADHO Cc1nc(NC(=N)NCCCC[NH3+])nc(N(C)C)n1 ZINC001157095937 815403955 /nfs/dbraw/zinc/40/39/55/815403955.db2.gz ATHPAZWIJYOLEV-UHFFFAOYSA-N 1 3 266.353 -0.079 20 0 CBADHO N=C(NCCCC[NH3+])Nc1ccc(S(N)(=O)=O)cn1 ZINC001157096646 815403965 /nfs/dbraw/zinc/40/39/65/815403965.db2.gz LNSGDIVNJDUPAC-UHFFFAOYSA-N 1 3 286.361 -0.596 20 0 CBADHO CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132558 811028813 /nfs/dbraw/zinc/02/88/13/811028813.db2.gz VQXADHHTRZJLLP-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132558 811028823 /nfs/dbraw/zinc/02/88/23/811028823.db2.gz VQXADHHTRZJLLP-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100067453 811010881 /nfs/dbraw/zinc/01/08/81/811010881.db2.gz RRZZLQOURMOEBX-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100067453 811010889 /nfs/dbraw/zinc/01/08/89/811010889.db2.gz RRZZLQOURMOEBX-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC(N)=O)C2)CCC1 ZINC001100406036 811055933 /nfs/dbraw/zinc/05/59/33/811055933.db2.gz YMNDDSUTDSPZGP-UHFFFAOYSA-N 1 3 282.388 -0.560 20 0 CBADHO CN(CC(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CCC1 ZINC001100410657 811056185 /nfs/dbraw/zinc/05/61/85/811056185.db2.gz HCEPDVSDOBZNAZ-UHFFFAOYSA-N 1 3 282.388 -0.560 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100442723 811057636 /nfs/dbraw/zinc/05/76/36/811057636.db2.gz SRNWWFQWDRVPFT-WXRRBKDZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100678472 811070911 /nfs/dbraw/zinc/07/09/11/811070911.db2.gz MAWPCUJPWCTPFA-PNESKVBLSA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100677056 811071379 /nfs/dbraw/zinc/07/13/79/811071379.db2.gz XNEOMPLNWTUWAO-HIFPTAJRSA-N 1 3 269.389 -0.053 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100904747 811084121 /nfs/dbraw/zinc/08/41/21/811084121.db2.gz FDIIRQDUWSZPSR-PNESKVBLSA-N 1 3 298.431 -0.053 20 0 CBADHO CCC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157323497 815423490 /nfs/dbraw/zinc/42/34/90/815423490.db2.gz SIGVWGZDNPPMLZ-UWVGGRQHSA-N 1 3 258.366 -0.526 20 0 CBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](C)N)CC1 ZINC001157448640 815435844 /nfs/dbraw/zinc/43/58/44/815435844.db2.gz CYADMBJTZCLRTP-SECBINFHSA-N 1 3 257.334 -0.393 20 0 CBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)N(C)C ZINC001106281840 811304346 /nfs/dbraw/zinc/30/43/46/811304346.db2.gz GTJOZPUODFADAE-BZPMIXESSA-N 1 3 298.431 -0.258 20 0 CBADHO CN1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1=O ZINC001157485915 815437435 /nfs/dbraw/zinc/43/74/35/815437435.db2.gz QQUFIWUWRRWPCH-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)N(C)C ZINC001106634573 811312991 /nfs/dbraw/zinc/31/29/91/811312991.db2.gz GTJOZPUODFADAE-YRGRVCCFSA-N 1 3 298.431 -0.258 20 0 CBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106665121 811313298 /nfs/dbraw/zinc/31/32/98/811313298.db2.gz INTLRDKSHTVQGK-FRRDWIJNSA-N 1 3 296.415 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106908394 811318745 /nfs/dbraw/zinc/31/87/45/811318745.db2.gz YKKVMASFTQASHG-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)C ZINC001320218731 817296416 /nfs/dbraw/zinc/29/64/16/817296416.db2.gz UKTGAGZDHHZJLA-VXGBXAGGSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157538838 815444186 /nfs/dbraw/zinc/44/41/86/815444186.db2.gz TUVNRVVYHMYXGB-VWYCJHECSA-N 1 3 272.368 -0.434 20 0 CBADHO CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157538838 815444187 /nfs/dbraw/zinc/44/41/87/815444187.db2.gz TUVNRVVYHMYXGB-VWYCJHECSA-N 1 3 272.368 -0.434 20 0 CBADHO CCOC(=O)CN(CCC[NH3+])c1cc2c(nn1)CCNC2 ZINC001157549216 815444910 /nfs/dbraw/zinc/44/49/10/815444910.db2.gz FZWPJMJUYPOCJG-UHFFFAOYSA-N 1 3 293.371 -0.159 20 0 CBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673685 811499795 /nfs/dbraw/zinc/49/97/95/811499795.db2.gz ONNRMSFXUCEJON-MQYQWHSLSA-N 1 3 299.415 -0.333 20 0 CBADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001157715905 815455532 /nfs/dbraw/zinc/45/55/32/815455532.db2.gz KTXUXCQYLYJNRS-KGLIPLIRSA-N 1 3 293.367 -0.291 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCCO1 ZINC001157702864 815453934 /nfs/dbraw/zinc/45/39/34/815453934.db2.gz FDHLKYUYHJSCMI-MNOVXSKESA-N 1 3 253.346 -0.567 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708057 815455243 /nfs/dbraw/zinc/45/52/43/815455243.db2.gz HEJWFRJPJYEYTI-MRVPVSSYSA-N 1 3 251.277 -0.453 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157728752 815456467 /nfs/dbraw/zinc/45/64/67/815456467.db2.gz AGZUFNRJLLOAEZ-UTLUCORTSA-N 1 3 279.381 -0.816 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001157720219 815456822 /nfs/dbraw/zinc/45/68/22/815456822.db2.gz CUHGDTPHYDDQOK-GARJFASQSA-N 1 3 259.325 -0.619 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001157717009 815456931 /nfs/dbraw/zinc/45/69/31/815456931.db2.gz WCMKOTWKBZEPMI-MFKMUULPSA-N 1 3 287.335 -0.573 20 0 CBADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CC(F)F ZINC001157720466 815457051 /nfs/dbraw/zinc/45/70/51/815457051.db2.gz JSRXNFZRDCIJKH-YUMQZZPRSA-N 1 3 251.277 -0.584 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157716738 815457283 /nfs/dbraw/zinc/45/72/83/815457283.db2.gz RJRVBPBAYUFNIM-AGIUHOORSA-N 1 3 299.415 -0.021 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739113 815460463 /nfs/dbraw/zinc/46/04/63/815460463.db2.gz FPRDINBUISRJDI-BXKDBHETSA-N 1 3 261.341 -0.236 20 0 CBADHO C[C@@H]1CCN(C(=O)CCN2CCN(C)CC2)C[C@@H]1[NH3+] ZINC001157793449 815467331 /nfs/dbraw/zinc/46/73/31/815467331.db2.gz LRMDSDPHNCNXBL-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@@H]1CCN(C(=O)C2(O)CCN(C)CC2)C[C@@H]1[NH3+] ZINC001157804599 815468541 /nfs/dbraw/zinc/46/85/41/815468541.db2.gz SARVNZHCNJXOQS-MNOVXSKESA-N 1 3 255.362 -0.361 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799330 815468782 /nfs/dbraw/zinc/46/87/82/815468782.db2.gz KOSAGVNLYQTLNY-BBBLOLIVSA-N 1 3 257.334 -0.537 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CCC1 ZINC001114407215 811747917 /nfs/dbraw/zinc/74/79/17/811747917.db2.gz UJSUDRSJGZNUMQ-ITGUQSILSA-N 1 3 281.400 -0.101 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CCC1 ZINC001114407215 811747922 /nfs/dbraw/zinc/74/79/22/811747922.db2.gz UJSUDRSJGZNUMQ-ITGUQSILSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114422370 811748406 /nfs/dbraw/zinc/74/84/06/811748406.db2.gz ADOVFYCWXBPSCD-CXTNEJHOSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114422370 811748408 /nfs/dbraw/zinc/74/84/08/811748408.db2.gz ADOVFYCWXBPSCD-CXTNEJHOSA-N 1 3 281.400 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001114442639 811750379 /nfs/dbraw/zinc/75/03/79/811750379.db2.gz LFTCNGMEDYKADC-LOWDOPEQSA-N 1 3 269.389 -0.389 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001114442639 811750389 /nfs/dbraw/zinc/75/03/89/811750389.db2.gz LFTCNGMEDYKADC-LOWDOPEQSA-N 1 3 269.389 -0.389 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N(C)C ZINC001114463373 811750530 /nfs/dbraw/zinc/75/05/30/811750530.db2.gz HXSGVCSUYMFMIX-XQHKEYJVSA-N 1 3 269.389 -0.245 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N(C)C ZINC001114463373 811750537 /nfs/dbraw/zinc/75/05/37/811750537.db2.gz HXSGVCSUYMFMIX-XQHKEYJVSA-N 1 3 269.389 -0.245 20 0 CBADHO N[C@@H](C(=O)N1CCCC(=O)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001157854441 815472959 /nfs/dbraw/zinc/47/29/59/815472959.db2.gz DKRWFHLGSOQBKM-CMPLNLGQSA-N 1 3 271.336 -0.157 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCNC(=O)C1 ZINC001157890662 815476708 /nfs/dbraw/zinc/47/67/08/815476708.db2.gz RYSZGOGSPWABOZ-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C[C@@H]1F ZINC001157899584 815477714 /nfs/dbraw/zinc/47/77/14/815477714.db2.gz AAVSJJFOHLDZQU-GMXVVIOVSA-N 1 3 273.352 -0.365 20 0 CBADHO N[C@H](C(=O)N1C[C@@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900901 815479096 /nfs/dbraw/zinc/47/90/96/815479096.db2.gz UYDJBSLXKHEJGL-ONGXEEELSA-N 1 3 291.342 -0.211 20 0 CBADHO N[C@@H](C(=O)N1C[C@@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900898 815479431 /nfs/dbraw/zinc/47/94/31/815479431.db2.gz UYDJBSLXKHEJGL-GXSJLCMTSA-N 1 3 291.342 -0.211 20 0 CBADHO CN1CCN(C(=N)Nc2ncnc(Cl)c2C(N)=O)CC1 ZINC001157915201 815481872 /nfs/dbraw/zinc/48/18/72/815481872.db2.gz KYVWOYKCFFQQJZ-UHFFFAOYSA-N 1 3 297.750 -0.177 20 0 CBADHO C[NH+]1CCN(C(=N)Nc2ncnc(Cl)c2C(N)=O)CC1 ZINC001157915201 815481876 /nfs/dbraw/zinc/48/18/76/815481876.db2.gz KYVWOYKCFFQQJZ-UHFFFAOYSA-N 1 3 297.750 -0.177 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934717 815487099 /nfs/dbraw/zinc/48/70/99/815487099.db2.gz NYDCADLFTXEWEZ-AGIUHOORSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934717 815487103 /nfs/dbraw/zinc/48/71/03/815487103.db2.gz NYDCADLFTXEWEZ-AGIUHOORSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934718 815487553 /nfs/dbraw/zinc/48/75/53/815487553.db2.gz NYDCADLFTXEWEZ-AVGNSLFASA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934718 815487557 /nfs/dbraw/zinc/48/75/57/815487557.db2.gz NYDCADLFTXEWEZ-AVGNSLFASA-N 1 3 297.399 -0.938 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157936378 815488593 /nfs/dbraw/zinc/48/85/93/815488593.db2.gz ZTFUKZMLOLPYLL-JQWIXIFHSA-N 1 3 293.408 -0.281 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@](F)(CO)CC1 ZINC001157935901 815488901 /nfs/dbraw/zinc/48/89/01/815488901.db2.gz XHOUUVRMKMWRBT-BXUZGUMPSA-N 1 3 285.363 -0.492 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC001157989259 815495866 /nfs/dbraw/zinc/49/58/66/815495866.db2.gz OIKFCNFXBLPVKE-VIFPVBQESA-N 1 3 269.374 -0.686 20 0 CBADHO O=C(N1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157988906 815496209 /nfs/dbraw/zinc/49/62/09/815496209.db2.gz LCAFQBLLFLDJJU-BXUZGUMPSA-N 1 3 275.356 -0.507 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)CCC[NH3+] ZINC001158014480 815498336 /nfs/dbraw/zinc/49/83/36/815498336.db2.gz LXWCVNFICGCPDE-YIZRAAEISA-N 1 3 261.297 -0.835 20 0 CBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H](N)CCCC[NH3+] ZINC001158013652 815498510 /nfs/dbraw/zinc/49/85/10/815498510.db2.gz HJMWWORGXLKBAM-MNOVXSKESA-N 1 3 275.393 -0.577 20 0 CBADHO NC(C(=O)N1CCOC2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001158076600 815501749 /nfs/dbraw/zinc/50/17/49/815501749.db2.gz LHKHXTUAHKFOME-MRVPVSSYSA-N 1 3 281.278 -0.143 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001114741993 812157021 /nfs/dbraw/zinc/15/70/21/812157021.db2.gz ZLHPUIWHMDHFSG-GDNZZTSVSA-N 1 3 267.373 -0.633 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001114778668 812159800 /nfs/dbraw/zinc/15/98/00/812159800.db2.gz PBTMQSARJCENNX-IMRBUKKESA-N 1 3 292.387 -0.724 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161365 815506866 /nfs/dbraw/zinc/50/68/66/815506866.db2.gz UXIBMZJDVRKAOI-BXUZGUMPSA-N 1 3 297.403 -0.493 20 0 CBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159824 815507064 /nfs/dbraw/zinc/50/70/64/815507064.db2.gz FWTJSMIDDWCRDY-GXTWGEPZSA-N 1 3 294.399 -0.939 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001114998194 812172245 /nfs/dbraw/zinc/17/22/45/812172245.db2.gz PUFQEBSWJLUBPI-CIQGVGRVSA-N 1 3 269.389 -0.245 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114998194 812172250 /nfs/dbraw/zinc/17/22/50/812172250.db2.gz PUFQEBSWJLUBPI-CIQGVGRVSA-N 1 3 269.389 -0.245 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114998831 812173458 /nfs/dbraw/zinc/17/34/58/812173458.db2.gz WUKOVHHOEZLZHM-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114998831 812173462 /nfs/dbraw/zinc/17/34/62/812173462.db2.gz WUKOVHHOEZLZHM-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115074785 812176675 /nfs/dbraw/zinc/17/66/75/812176675.db2.gz SGVQKLIPNRZMLD-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115074785 812176681 /nfs/dbraw/zinc/17/66/81/812176681.db2.gz SGVQKLIPNRZMLD-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115159108 812183792 /nfs/dbraw/zinc/18/37/92/812183792.db2.gz DAESSBACSHYCDO-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115159108 812183797 /nfs/dbraw/zinc/18/37/97/812183797.db2.gz DAESSBACSHYCDO-KZVDOYCCSA-N 1 3 294.399 -0.737 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115299815 812189849 /nfs/dbraw/zinc/18/98/49/812189849.db2.gz GJROGMMCQDUBBZ-PJXYFTJBSA-N 1 3 255.362 -0.635 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115299815 812189855 /nfs/dbraw/zinc/18/98/55/812189855.db2.gz GJROGMMCQDUBBZ-PJXYFTJBSA-N 1 3 255.362 -0.635 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001158190398 815510523 /nfs/dbraw/zinc/51/05/23/815510523.db2.gz FZMAWTBKGWFUOF-XQXUWNMESA-N 1 3 282.388 -0.574 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158320117 815520476 /nfs/dbraw/zinc/52/04/76/815520476.db2.gz SJVVKTDNJSPMGZ-VGMNWLOBSA-N 1 3 263.288 -0.455 20 0 CBADHO C[C@@H]1C[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117084374 812363992 /nfs/dbraw/zinc/36/39/92/812363992.db2.gz MMLBUXACTKYUJU-CHWSQXEVSA-N 1 3 298.431 -0.290 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424670 815528016 /nfs/dbraw/zinc/52/80/16/815528016.db2.gz UBZVJBUSTSUGCT-KQXIARHKSA-N 1 3 282.388 -0.561 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422095 815528201 /nfs/dbraw/zinc/52/82/01/815528201.db2.gz HUVMLLOZXYGBIF-JFEPYHJCSA-N 1 3 259.375 -0.955 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC001118140316 812477929 /nfs/dbraw/zinc/47/79/29/812477929.db2.gz LXUXTIXOWAVYQA-BIIVOSGPSA-N 1 3 251.277 -0.457 20 0 CBADHO NCc1cnnn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001158423239 815528570 /nfs/dbraw/zinc/52/85/70/815528570.db2.gz OXZQGKZRUYJNFC-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546910 815538244 /nfs/dbraw/zinc/53/82/44/815538244.db2.gz NEBAZCOTNRGBLU-MPXOCVNLSA-N 1 3 289.326 -0.052 20 0 CBADHO CCN1CCN(CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC001118282445 812518570 /nfs/dbraw/zinc/51/85/70/812518570.db2.gz XVPRBJRLFMFWLM-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567163 815538398 /nfs/dbraw/zinc/53/83/98/815538398.db2.gz FKTJUIFUYOTHIC-ADEWGFFLSA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567163 815538402 /nfs/dbraw/zinc/53/84/02/815538402.db2.gz FKTJUIFUYOTHIC-ADEWGFFLSA-N 1 3 295.362 -0.185 20 0 CBADHO NC1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC1 ZINC001158535101 815537328 /nfs/dbraw/zinc/53/73/28/815537328.db2.gz VMCYVWTZJQTHQD-OPQQBVKSSA-N 1 3 251.330 -0.543 20 0 CBADHO NC(=O)COC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001118557422 812576407 /nfs/dbraw/zinc/57/64/07/812576407.db2.gz DWRZITNJLUAXNM-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NCCCCN1CCN(C)CC1 ZINC001118568909 812577910 /nfs/dbraw/zinc/57/79/10/812577910.db2.gz JEZZTJCNOXJUHT-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO Cc1c(CN)c(NC(=O)C2=NO[C@@H](C[NH3+])C2)nn1C ZINC001118572548 812580420 /nfs/dbraw/zinc/58/04/20/812580420.db2.gz SPKHEFXVEHWKIE-SSDOTTSWSA-N 1 3 266.305 -0.771 20 0 CBADHO C[N@H+](C1CN(c2ncc3c(n2)CNC3)C1)[C@H]1CCOC1 ZINC001158731711 815545430 /nfs/dbraw/zinc/54/54/30/815545430.db2.gz VMTWJLJFNQXGQE-NSHDSACASA-N 1 3 275.356 -0.011 20 0 CBADHO C[N@@H+](C1CN(c2ncc3c(n2)CNC3)C1)[C@H]1CCOC1 ZINC001158731711 815545434 /nfs/dbraw/zinc/54/54/34/815545434.db2.gz VMTWJLJFNQXGQE-NSHDSACASA-N 1 3 275.356 -0.011 20 0 CBADHO [NH3+][C@@H]1CN(c2cc3c(nn2)CCNC3)CC12COC2 ZINC001158766238 815546620 /nfs/dbraw/zinc/54/66/20/815546620.db2.gz VXYJUYZGQDUBAE-LLVKDONJSA-N 1 3 261.329 -0.714 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001119297030 812745449 /nfs/dbraw/zinc/74/54/49/812745449.db2.gz IHTFXHKTGSQWPJ-JTQLQIEISA-N 1 3 255.322 -0.643 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001119295858 812745502 /nfs/dbraw/zinc/74/55/02/812745502.db2.gz YVVWCNMFHKSSDY-AVGNSLFASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001119295863 812745671 /nfs/dbraw/zinc/74/56/71/812745671.db2.gz YVVWCNMFHKSSDY-YNEHKIRRSA-N 1 3 296.415 -0.027 20 0 CBADHO COCC[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001119297444 812746834 /nfs/dbraw/zinc/74/68/34/812746834.db2.gz NIYYIUVEHJDCBM-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)NCc1cc(N)ccn1 ZINC001119322417 812753883 /nfs/dbraw/zinc/75/38/83/812753883.db2.gz PUAZCXXBELBOEE-NSHDSACASA-N 1 3 251.334 -0.441 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119417852 812779110 /nfs/dbraw/zinc/77/91/10/812779110.db2.gz VCDMBYBCXUYLKP-UPJWGTAASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001119439398 812785892 /nfs/dbraw/zinc/78/58/92/812785892.db2.gz RDADCOUHQXDPLF-ZETCQYMHSA-N 1 3 268.321 -0.823 20 0 CBADHO COC[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])Cc2cn(C)nc21 ZINC001159018293 815555414 /nfs/dbraw/zinc/55/54/14/815555414.db2.gz LEQGZGZFEYJIDL-RYUDHWBXSA-N 1 3 295.387 -0.442 20 0 CBADHO COCc1[nH]nc2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001159090962 815558828 /nfs/dbraw/zinc/55/88/28/815558828.db2.gz IKBMINNKLWWIJH-YMTOWFKASA-N 1 3 291.355 -0.650 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]([NH3+])CC(F)F ZINC001119611526 812833490 /nfs/dbraw/zinc/83/34/90/812833490.db2.gz UUYCTWZDDLCGLU-IUCAKERBSA-N 1 3 265.304 -0.194 20 0 CBADHO COCc1n[nH]c2c1CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001159090607 815559161 /nfs/dbraw/zinc/55/91/61/815559161.db2.gz FZWOILMPXQOTJO-SECBINFHSA-N 1 3 267.333 -0.536 20 0 CBADHO CN1CC(CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001159217528 815563229 /nfs/dbraw/zinc/56/32/29/815563229.db2.gz CLXOHXSJDKFLRN-UHFFFAOYSA-N 1 3 262.361 -0.140 20 0 CBADHO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001120569682 812993037 /nfs/dbraw/zinc/99/30/37/812993037.db2.gz GADPPHFXBFEIFK-CABCVRRESA-N 1 3 284.448 -0.331 20 0 CBADHO CN(CC[NH3+])CCNc1ncnc2c1CCNC2 ZINC001159431498 815572896 /nfs/dbraw/zinc/57/28/96/815572896.db2.gz NCHXFVJZIYEFCM-UHFFFAOYSA-N 1 3 250.350 -0.575 20 0 CBADHO [NH3+]CCNCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001121938031 813093381 /nfs/dbraw/zinc/09/33/81/813093381.db2.gz UENSVOOUHMAGGM-ZDUSSCGKSA-N 1 3 262.357 -0.462 20 0 CBADHO O=C(NCCN1CCCC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121981828 813098921 /nfs/dbraw/zinc/09/89/21/813098921.db2.gz NYUCRRBZJZOOHQ-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)C1(C2CC[NH2+]CC2)CC1 ZINC001121987708 813100867 /nfs/dbraw/zinc/10/08/67/813100867.db2.gz AEFHIXHJABZAIK-LBPRGKRZSA-N 1 3 267.373 -0.129 20 0 CBADHO CCN1CCN(CCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001122009645 813103754 /nfs/dbraw/zinc/10/37/54/813103754.db2.gz VIJCPMPOFPLFOK-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO C[C@@H](Nc1cc2c(nn1)CC[NH2+]C2)[C@H]1CNCCO1 ZINC001159501680 815577626 /nfs/dbraw/zinc/57/76/26/815577626.db2.gz WYGSLNBEOPWDBS-BXKDBHETSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1cc2c(nn1)CCNC2)[C@H]1C[NH2+]CCO1 ZINC001159501680 815577627 /nfs/dbraw/zinc/57/76/27/815577627.db2.gz WYGSLNBEOPWDBS-BXKDBHETSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1ncnc2c1CCNC2)[C@@H]1C[NH2+]CCO1 ZINC001159500199 815577834 /nfs/dbraw/zinc/57/78/34/815577834.db2.gz WLOYBRJUBDLVHG-SKDRFNHKSA-N 1 3 263.345 -0.089 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001122142769 813123505 /nfs/dbraw/zinc/12/35/05/813123505.db2.gz ZWHPJHYPWCZQPF-DMDPSCGWSA-N 1 3 265.357 -0.377 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001122142771 813123879 /nfs/dbraw/zinc/12/38/79/813123879.db2.gz ZWHPJHYPWCZQPF-GVXVVHGQSA-N 1 3 265.357 -0.377 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH3+])N1CCCCC1 ZINC001122149295 813125031 /nfs/dbraw/zinc/12/50/31/813125031.db2.gz UUUDWJFVEKYCJA-NEPJUHHUSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[C@H](C(=O)NCCN1CCC([NH3+])CC1)N(C)C ZINC001122157673 813126307 /nfs/dbraw/zinc/12/63/07/813126307.db2.gz SBTNCYAZAMYOMW-GFCCVEGCSA-N 1 3 256.394 -0.134 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](N)C1CCCCC1 ZINC001122183907 813129439 /nfs/dbraw/zinc/12/94/39/813129439.db2.gz YUXLKCWIIQBWFN-VXGBXAGGSA-N 1 3 257.378 -0.067 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001122192880 813130644 /nfs/dbraw/zinc/13/06/44/813130644.db2.gz ZONMSHHEITXMMX-JHJVBQTASA-N 1 3 266.389 -0.510 20 0 CBADHO C[C@@H](Nc1cncc(N2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001159502252 815579498 /nfs/dbraw/zinc/57/94/98/815579498.db2.gz ZDYHMOBCYVZUKX-VXGBXAGGSA-N 1 3 292.387 -0.325 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC001122362806 813153495 /nfs/dbraw/zinc/15/34/95/813153495.db2.gz GUUUSGLCAGXOPK-MNOVXSKESA-N 1 3 255.362 -0.131 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC001122362807 813153568 /nfs/dbraw/zinc/15/35/68/813153568.db2.gz GUUUSGLCAGXOPK-QWRGUYRKSA-N 1 3 255.362 -0.131 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001122484296 813169298 /nfs/dbraw/zinc/16/92/98/813169298.db2.gz NYECAZVSFQGKNF-ZDEQEGDKSA-N 1 3 266.389 -0.654 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001122484296 813169300 /nfs/dbraw/zinc/16/93/00/813169300.db2.gz NYECAZVSFQGKNF-ZDEQEGDKSA-N 1 3 266.389 -0.654 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001122535921 813174118 /nfs/dbraw/zinc/17/41/18/813174118.db2.gz LSZNZNBAMPLOTM-GRYCIOLGSA-N 1 3 255.362 -0.219 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854850 815599960 /nfs/dbraw/zinc/59/99/60/815599960.db2.gz UQJPIYVMZCFINP-LBPRGKRZSA-N 1 3 287.404 -0.426 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001159855016 815601313 /nfs/dbraw/zinc/60/13/13/815601313.db2.gz ZWQKGYXVZKEWCR-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001159860691 815601330 /nfs/dbraw/zinc/60/13/30/815601330.db2.gz CCMDAHNCULYDSV-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)N(C)C ZINC001123952209 813299769 /nfs/dbraw/zinc/29/97/69/813299769.db2.gz CPKYDCWUIQLWFC-YPMHNXCESA-N 1 3 257.378 -0.148 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001127065669 813710327 /nfs/dbraw/zinc/71/03/27/813710327.db2.gz CUNUUECIHUJGKL-VXGBXAGGSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001127065669 813710330 /nfs/dbraw/zinc/71/03/30/813710330.db2.gz CUNUUECIHUJGKL-VXGBXAGGSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127082563 813711339 /nfs/dbraw/zinc/71/13/39/813711339.db2.gz UYEGNLNFDAJZRH-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127082563 813711344 /nfs/dbraw/zinc/71/13/44/813711344.db2.gz UYEGNLNFDAJZRH-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127077671 813712063 /nfs/dbraw/zinc/71/20/63/813712063.db2.gz GVQTUYGUYHQQJP-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127077671 813712069 /nfs/dbraw/zinc/71/20/69/813712069.db2.gz GVQTUYGUYHQQJP-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257352 813721183 /nfs/dbraw/zinc/72/11/83/813721183.db2.gz XVMPCHHYVNWZKY-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257352 813721185 /nfs/dbraw/zinc/72/11/85/813721185.db2.gz XVMPCHHYVNWZKY-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256542 813722125 /nfs/dbraw/zinc/72/21/25/813722125.db2.gz OVMWIDXPFLZNJD-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256542 813722134 /nfs/dbraw/zinc/72/21/34/813722134.db2.gz OVMWIDXPFLZNJD-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475126 813731438 /nfs/dbraw/zinc/73/14/38/813731438.db2.gz RFPHPDKDUNOWPS-AWEZNQCLSA-N 1 3 291.399 -0.032 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475135 813732414 /nfs/dbraw/zinc/73/24/14/813732414.db2.gz RIKWFVPMEUZAFC-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001127685324 813741289 /nfs/dbraw/zinc/74/12/89/813741289.db2.gz NHPFLIOXMUCNMI-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC2)CC[N@H+]1C ZINC001127685324 813741296 /nfs/dbraw/zinc/74/12/96/813741296.db2.gz NHPFLIOXMUCNMI-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001127690998 813741446 /nfs/dbraw/zinc/74/14/46/813741446.db2.gz WDGRXINEIOHYLN-ZYHUDNBSSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001127690998 813741451 /nfs/dbraw/zinc/74/14/51/813741451.db2.gz WDGRXINEIOHYLN-ZYHUDNBSSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695128 813741575 /nfs/dbraw/zinc/74/15/75/813741575.db2.gz BURZCPAMUQZXCJ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695128 813741581 /nfs/dbraw/zinc/74/15/81/813741581.db2.gz BURZCPAMUQZXCJ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690496 813741864 /nfs/dbraw/zinc/74/18/64/813741864.db2.gz LAMHOUVFKPTWFR-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690496 813741869 /nfs/dbraw/zinc/74/18/69/813741869.db2.gz LAMHOUVFKPTWFR-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127691032 813741975 /nfs/dbraw/zinc/74/19/75/813741975.db2.gz YMVZZLKUKRPJRX-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127691032 813741979 /nfs/dbraw/zinc/74/19/79/813741979.db2.gz YMVZZLKUKRPJRX-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127701287 813742052 /nfs/dbraw/zinc/74/20/52/813742052.db2.gz MVARIUIBPNNNHK-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127701287 813742057 /nfs/dbraw/zinc/74/20/57/813742057.db2.gz MVARIUIBPNNNHK-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001127695056 813742712 /nfs/dbraw/zinc/74/27/12/813742712.db2.gz ANPJVBJLUGFOJO-QJPTWQEYSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001127695056 813742719 /nfs/dbraw/zinc/74/27/19/813742719.db2.gz ANPJVBJLUGFOJO-QJPTWQEYSA-N 1 3 282.388 -0.689 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001128779754 813798501 /nfs/dbraw/zinc/79/85/01/813798501.db2.gz XOUBSLTWFUDZKT-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001128779754 813798505 /nfs/dbraw/zinc/79/85/05/813798505.db2.gz XOUBSLTWFUDZKT-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001128784101 813798794 /nfs/dbraw/zinc/79/87/94/813798794.db2.gz LDSLVGUGCSQKOD-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001128784101 813798800 /nfs/dbraw/zinc/79/88/00/813798800.db2.gz LDSLVGUGCSQKOD-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001128784096 813799326 /nfs/dbraw/zinc/79/93/26/813799326.db2.gz LDSLVGUGCSQKOD-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001128784096 813799334 /nfs/dbraw/zinc/79/93/34/813799334.db2.gz LDSLVGUGCSQKOD-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328402 813836304 /nfs/dbraw/zinc/83/63/04/813836304.db2.gz PIFOSJAMUOFQHN-GFCCVEGCSA-N 1 3 284.404 -0.584 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328402 813836313 /nfs/dbraw/zinc/83/63/13/813836313.db2.gz PIFOSJAMUOFQHN-GFCCVEGCSA-N 1 3 284.404 -0.584 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001129341807 813836787 /nfs/dbraw/zinc/83/67/87/813836787.db2.gz ZQMUBAHYZPVPAB-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001129341807 813836797 /nfs/dbraw/zinc/83/67/97/813836797.db2.gz ZQMUBAHYZPVPAB-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001129363534 813840610 /nfs/dbraw/zinc/84/06/10/813840610.db2.gz IRVHFPVIGMQLKI-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)cn1 ZINC001129436806 813842751 /nfs/dbraw/zinc/84/27/51/813842751.db2.gz SWXVCGVTIAPLFQ-ZDUSSCGKSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001129444573 813845794 /nfs/dbraw/zinc/84/57/94/813845794.db2.gz VIWDDLPEWNRHKI-QWRGUYRKSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(CC(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CCC1 ZINC001129532263 813848554 /nfs/dbraw/zinc/84/85/54/813848554.db2.gz XOQDCCJPWZESDP-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O)C1CCC1 ZINC001129535248 813848971 /nfs/dbraw/zinc/84/89/71/813848971.db2.gz MJCNFMJCMZFNPI-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001129532213 813849224 /nfs/dbraw/zinc/84/92/24/813849224.db2.gz VJCJTKBBVVXCOH-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)[NH+](C)C ZINC001129947364 813882366 /nfs/dbraw/zinc/88/23/66/813882366.db2.gz WXBPKMBCELYUKV-MNOVXSKESA-N 1 3 270.377 -0.833 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001129949877 813882858 /nfs/dbraw/zinc/88/28/58/813882858.db2.gz JESBILYVUAZCSJ-RYUDHWBXSA-N 1 3 286.420 -0.245 20 0 CBADHO O=C(NCCN[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130171167 813913789 /nfs/dbraw/zinc/91/37/89/813913789.db2.gz IZJCFXQRKFJANB-GFCCVEGCSA-N 1 3 294.399 -0.543 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001130205894 813919136 /nfs/dbraw/zinc/91/91/36/813919136.db2.gz ZWZAANBYVWITMM-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130425226 813938296 /nfs/dbraw/zinc/93/82/96/813938296.db2.gz OKSSPKHTQATZFT-UHFFFAOYSA-N 1 3 299.419 -0.552 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(C)C ZINC001130419150 813939235 /nfs/dbraw/zinc/93/92/35/813939235.db2.gz MVJUVXPILWZFSQ-UHFFFAOYSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(C)C ZINC001130419150 813939241 /nfs/dbraw/zinc/93/92/41/813939241.db2.gz MVJUVXPILWZFSQ-UHFFFAOYSA-N 1 3 286.420 -0.053 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001130425422 813939562 /nfs/dbraw/zinc/93/95/62/813939562.db2.gz YOJIUMYGFJGLJT-LLVKDONJSA-N 1 3 275.393 -0.570 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001130709214 813968631 /nfs/dbraw/zinc/96/86/31/813968631.db2.gz XFYAMXSYHANVFI-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001130709214 813968636 /nfs/dbraw/zinc/96/86/36/813968636.db2.gz XFYAMXSYHANVFI-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130713518 813970419 /nfs/dbraw/zinc/97/04/19/813970419.db2.gz RCPVKWAWTMCSPZ-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713518 813970426 /nfs/dbraw/zinc/97/04/26/813970426.db2.gz RCPVKWAWTMCSPZ-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789950 814068985 /nfs/dbraw/zinc/06/89/85/814068985.db2.gz BSRLBCUOKDVESO-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCNCC(N)=O)CCCCC1 ZINC001131799332 814070704 /nfs/dbraw/zinc/07/07/04/814070704.db2.gz NOVCDWVSNDLPLZ-UHFFFAOYSA-N 1 3 284.404 -0.310 20 0 CBADHO C[N@H+](CCC(=O)NCCNCC(N)=O)C1CCCCC1 ZINC001131815534 814072558 /nfs/dbraw/zinc/07/25/58/814072558.db2.gz HZQAEQSWSHLBSY-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[N@@H+](CCC(=O)NCCNCC(N)=O)C1CCCCC1 ZINC001131815534 814072564 /nfs/dbraw/zinc/07/25/64/814072564.db2.gz HZQAEQSWSHLBSY-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132882138 814197301 /nfs/dbraw/zinc/19/73/01/814197301.db2.gz ANNKRKAJEBIMFR-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132882138 814197304 /nfs/dbraw/zinc/19/73/04/814197304.db2.gz ANNKRKAJEBIMFR-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001132893698 814198894 /nfs/dbraw/zinc/19/88/94/814198894.db2.gz XZLBPWMDEUYWIP-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001132893698 814198898 /nfs/dbraw/zinc/19/88/98/814198898.db2.gz XZLBPWMDEUYWIP-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893625 814199108 /nfs/dbraw/zinc/19/91/08/814199108.db2.gz WGNLQWRDAWEJSJ-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893625 814199114 /nfs/dbraw/zinc/19/91/14/814199114.db2.gz WGNLQWRDAWEJSJ-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892827 814200005 /nfs/dbraw/zinc/20/00/05/814200005.db2.gz BRKKAJZWKQNVPU-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001132892827 814200008 /nfs/dbraw/zinc/20/00/08/814200008.db2.gz BRKKAJZWKQNVPU-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995272 814205814 /nfs/dbraw/zinc/20/58/14/814205814.db2.gz PXAXDAJVUGUTEU-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC(C)(C)C)CC1 ZINC001132993221 814206422 /nfs/dbraw/zinc/20/64/22/814206422.db2.gz OMQCTZKAZFCIIK-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995285 814207003 /nfs/dbraw/zinc/20/70/03/814207003.db2.gz QCWDULRFEWQANS-SNVBAGLBSA-N 1 3 270.377 -0.832 20 0 CBADHO Cn1cc(CNCCNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001132993069 814207333 /nfs/dbraw/zinc/20/73/33/814207333.db2.gz MFYFTRWOVGJQFL-UHFFFAOYSA-N 1 3 279.388 -0.032 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040435 814211862 /nfs/dbraw/zinc/21/18/62/814211862.db2.gz QVGUYKBOZVEIPL-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040343 814212634 /nfs/dbraw/zinc/21/26/34/814212634.db2.gz MFTUEQKDXDYOFN-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO C[C@@H](NC(=O)CNCCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001133051838 814212785 /nfs/dbraw/zinc/21/27/85/814212785.db2.gz REMDDHZDZBNHHW-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001133051508 814212878 /nfs/dbraw/zinc/21/28/78/814212878.db2.gz HKKNFZHNFFBTBV-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@H](NC(=O)CNCCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001133051839 814212999 /nfs/dbraw/zinc/21/29/99/814212999.db2.gz REMDDHZDZBNHHW-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133274339 814233865 /nfs/dbraw/zinc/23/38/65/814233865.db2.gz GMAVANNXTZIXJZ-STQMWFEESA-N 1 3 298.431 -0.112 20 0 CBADHO C[NH+]1CCC(C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001133287672 814235511 /nfs/dbraw/zinc/23/55/11/814235511.db2.gz LRMNJYZZYVBYLT-LBPRGKRZSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287868 814235737 /nfs/dbraw/zinc/23/57/37/814235737.db2.gz NUZJWHJXFJRTLJ-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287640 814236194 /nfs/dbraw/zinc/23/61/94/814236194.db2.gz KKXJXJHAQBYPKA-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133281852 814236424 /nfs/dbraw/zinc/23/64/24/814236424.db2.gz PPUMCYUKCSXJQB-GFCCVEGCSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001133433871 814253564 /nfs/dbraw/zinc/25/35/64/814253564.db2.gz CLYIXEPZBVZASD-VXGBXAGGSA-N 1 3 284.404 -0.491 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001133434348 814254172 /nfs/dbraw/zinc/25/41/72/814254172.db2.gz NJLNSUUVPDORTA-WCQYABFASA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001133823907 814301295 /nfs/dbraw/zinc/30/12/95/814301295.db2.gz SARIAJCXQVHGPI-GFCCVEGCSA-N 1 3 280.376 -0.532 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846296 814308146 /nfs/dbraw/zinc/30/81/46/814308146.db2.gz YECCYPKNSVKIPQ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846296 814308154 /nfs/dbraw/zinc/30/81/54/814308154.db2.gz YECCYPKNSVKIPQ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCNCC(N)=O)C1 ZINC001133850702 814309011 /nfs/dbraw/zinc/30/90/11/814309011.db2.gz QGMVAWLTJNGRJC-CYBMUJFWSA-N 1 3 288.367 -0.610 20 0 CBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCNCC(N)=O)C1 ZINC001133850702 814309020 /nfs/dbraw/zinc/30/90/20/814309020.db2.gz QGMVAWLTJNGRJC-CYBMUJFWSA-N 1 3 288.367 -0.610 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001133845512 814309621 /nfs/dbraw/zinc/30/96/21/814309621.db2.gz HPYNFSAJQJATOG-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001133853485 814310456 /nfs/dbraw/zinc/31/04/56/814310456.db2.gz LKBLMDPWPDZRHO-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001133853485 814310459 /nfs/dbraw/zinc/31/04/59/814310459.db2.gz LKBLMDPWPDZRHO-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001133853484 814311180 /nfs/dbraw/zinc/31/11/80/814311180.db2.gz LKBLMDPWPDZRHO-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001133853484 814311190 /nfs/dbraw/zinc/31/11/90/814311190.db2.gz LKBLMDPWPDZRHO-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863923 814311587 /nfs/dbraw/zinc/31/15/87/814311587.db2.gz RHPDXNLTYQAEBI-NEPJUHHUSA-N 1 3 284.404 -0.584 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863923 814311596 /nfs/dbraw/zinc/31/15/96/814311596.db2.gz RHPDXNLTYQAEBI-NEPJUHHUSA-N 1 3 284.404 -0.584 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863323 814312298 /nfs/dbraw/zinc/31/22/98/814312298.db2.gz LDGIAOSRDHZXLG-OLZOCXBDSA-N 1 3 298.431 -0.338 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863323 814312307 /nfs/dbraw/zinc/31/23/07/814312307.db2.gz LDGIAOSRDHZXLG-OLZOCXBDSA-N 1 3 298.431 -0.338 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866714 814313129 /nfs/dbraw/zinc/31/31/29/814313129.db2.gz OBHOBONSQHPLIK-QWHCGFSZSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866714 814313138 /nfs/dbraw/zinc/31/31/38/814313138.db2.gz OBHOBONSQHPLIK-QWHCGFSZSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865206 814313689 /nfs/dbraw/zinc/31/36/89/814313689.db2.gz AICDHWRQJCNJBU-DGCLKSJQSA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133865206 814313699 /nfs/dbraw/zinc/31/36/99/814313699.db2.gz AICDHWRQJCNJBU-DGCLKSJQSA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001133866690 814316351 /nfs/dbraw/zinc/31/63/51/814316351.db2.gz NRUSULWCEQVJHR-AAEUAGOBSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001133866690 814316360 /nfs/dbraw/zinc/31/63/60/814316360.db2.gz NRUSULWCEQVJHR-AAEUAGOBSA-N 1 3 279.388 -0.176 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870426 814316812 /nfs/dbraw/zinc/31/68/12/814316812.db2.gz SZBSYMFYEQRGKZ-CHWSQXEVSA-N 1 3 298.431 -0.194 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870426 814316821 /nfs/dbraw/zinc/31/68/21/814316821.db2.gz SZBSYMFYEQRGKZ-CHWSQXEVSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001133896698 814320498 /nfs/dbraw/zinc/32/04/98/814320498.db2.gz OUROLNRIOWGQBB-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896865 814320742 /nfs/dbraw/zinc/32/07/42/814320742.db2.gz SLYBQHYMVSUMQC-NSHDSACASA-N 1 3 257.378 -0.195 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001133965748 814330777 /nfs/dbraw/zinc/33/07/77/814330777.db2.gz IPYIPPUWCVGGOI-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001133968189 814330974 /nfs/dbraw/zinc/33/09/74/814330974.db2.gz RCUFQNAKCJORQQ-NSHDSACASA-N 1 3 298.387 -0.819 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001133967709 814331054 /nfs/dbraw/zinc/33/10/54/814331054.db2.gz APIBMHNJGTVSLB-STQMWFEESA-N 1 3 297.403 -0.710 20 0 CBADHO CC[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780602 814412601 /nfs/dbraw/zinc/41/26/01/814412601.db2.gz NORBZCVKNJOOIW-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001134780764 814412727 /nfs/dbraw/zinc/41/27/27/814412727.db2.gz VRQGZDGWEIWPQI-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001134780317 814413472 /nfs/dbraw/zinc/41/34/72/814413472.db2.gz AGNCZTAHEITIBJ-LBPRGKRZSA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001159931609 815605967 /nfs/dbraw/zinc/60/59/67/815605967.db2.gz GTTXOLUTOQNUGQ-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001159931486 815606842 /nfs/dbraw/zinc/60/68/42/815606842.db2.gz DVTNKMMSZKWQMI-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C(C)C ZINC001135474136 814477232 /nfs/dbraw/zinc/47/72/32/814477232.db2.gz HVJOGMLTSZGLPA-RYUDHWBXSA-N 1 3 286.420 -0.068 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135513787 814481977 /nfs/dbraw/zinc/48/19/77/814481977.db2.gz YQHWIKSPVIJJKQ-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135523857 814483483 /nfs/dbraw/zinc/48/34/83/814483483.db2.gz NBDYSZUQAURMSR-ZDUSSCGKSA-N 1 3 297.403 -0.708 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427068 815619512 /nfs/dbraw/zinc/61/95/12/815619512.db2.gz MMDVGUKGHRMADH-OLZOCXBDSA-N 1 3 289.420 -0.324 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)N(C)C ZINC001160427287 815619652 /nfs/dbraw/zinc/61/96/52/815619652.db2.gz OMZULUBIMXGANS-NSHDSACASA-N 1 3 258.366 -0.846 20 0 CBADHO CC(C)N(C)CC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001142591116 814721041 /nfs/dbraw/zinc/72/10/41/814721041.db2.gz ZUUMUEMIROPEFF-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001146384386 814837593 /nfs/dbraw/zinc/83/75/93/814837593.db2.gz QAQZROSDOIIXGU-CYBMUJFWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H](C)C(N)=O)CC1 ZINC001146376971 814837603 /nfs/dbraw/zinc/83/76/03/814837603.db2.gz QDONHQQKMOMMCL-NSHDSACASA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001146384387 814837799 /nfs/dbraw/zinc/83/77/99/814837799.db2.gz QAQZROSDOIIXGU-ZDUSSCGKSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC1 ZINC001146718685 814844992 /nfs/dbraw/zinc/84/49/92/814844992.db2.gz FSWOLFFZJRAYNY-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC1 ZINC001146718685 814844998 /nfs/dbraw/zinc/84/49/98/814844998.db2.gz FSWOLFFZJRAYNY-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCc1ccnn1C ZINC001146718846 814845036 /nfs/dbraw/zinc/84/50/36/814845036.db2.gz HZJFXLJDKGPHIN-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccnn1C ZINC001146718846 814845040 /nfs/dbraw/zinc/84/50/40/814845040.db2.gz HZJFXLJDKGPHIN-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC1CC1 ZINC001146719906 814845884 /nfs/dbraw/zinc/84/58/84/814845884.db2.gz WAPHCSVBSAYHLR-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC1CC1 ZINC001146719906 814845887 /nfs/dbraw/zinc/84/58/87/814845887.db2.gz WAPHCSVBSAYHLR-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc[nH]c1=O ZINC001147185499 814879583 /nfs/dbraw/zinc/87/95/83/814879583.db2.gz IMJHVYCXRSJPCJ-UHFFFAOYSA-N 1 3 251.290 -0.138 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001147826239 814917375 /nfs/dbraw/zinc/91/73/75/814917375.db2.gz SXUYEFDNZLVHSS-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001147826238 814917387 /nfs/dbraw/zinc/91/73/87/814917387.db2.gz SXUYEFDNZLVHSS-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO Cn1nccc1CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876973 814920894 /nfs/dbraw/zinc/92/08/94/814920894.db2.gz AZIPOGAYPMVUON-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1nccc1CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876973 814920897 /nfs/dbraw/zinc/92/08/97/814920897.db2.gz AZIPOGAYPMVUON-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147877411 814922831 /nfs/dbraw/zinc/92/28/31/814922831.db2.gz JGBVURUPVQFEEY-ZDUSSCGKSA-N 1 3 296.415 -0.440 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147877411 814922835 /nfs/dbraw/zinc/92/28/35/814922835.db2.gz JGBVURUPVQFEEY-ZDUSSCGKSA-N 1 3 296.415 -0.440 20 0 CBADHO COCCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCN(C)CC1 ZINC001160441750 815622134 /nfs/dbraw/zinc/62/21/34/815622134.db2.gz XHGDAHNCYYUIGA-CHWSQXEVSA-N 1 3 285.388 -0.722 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(C1)OCCO2 ZINC001160471482 815626246 /nfs/dbraw/zinc/62/62/46/815626246.db2.gz ZPXPSTOVUPVKIR-GFCCVEGCSA-N 1 3 295.383 -0.164 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(C1)OCCO2 ZINC001160471482 815626253 /nfs/dbraw/zinc/62/62/53/815626253.db2.gz ZPXPSTOVUPVKIR-GFCCVEGCSA-N 1 3 295.383 -0.164 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160471372 815626412 /nfs/dbraw/zinc/62/64/12/815626412.db2.gz VHMQEVGBOOMBOV-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160471372 815626419 /nfs/dbraw/zinc/62/64/19/815626419.db2.gz VHMQEVGBOOMBOV-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO [NH3+]C1CCN(C(=O)[C@@H]2CNCc3ccnn3C2)CC1 ZINC001160504261 815630836 /nfs/dbraw/zinc/63/08/36/815630836.db2.gz KGONRRNENLVEOT-SNVBAGLBSA-N 1 3 263.345 -0.448 20 0 CBADHO [NH3+]C1CCN(C(=O)[C@H]2CNCc3ccnn3C2)CC1 ZINC001160504259 815631619 /nfs/dbraw/zinc/63/16/19/815631619.db2.gz KGONRRNENLVEOT-JTQLQIEISA-N 1 3 263.345 -0.448 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(CO)C1 ZINC001160531533 815633706 /nfs/dbraw/zinc/63/37/06/815633706.db2.gz SESXYEATLDNGRH-NSHDSACASA-N 1 3 253.346 -0.689 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(CO)C1 ZINC001160531533 815633710 /nfs/dbraw/zinc/63/37/10/815633710.db2.gz SESXYEATLDNGRH-NSHDSACASA-N 1 3 253.346 -0.689 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160556777 815637339 /nfs/dbraw/zinc/63/73/39/815637339.db2.gz BFQVDVIMVPTRJJ-JTQLQIEISA-N 1 3 283.401 -0.676 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575740 815640186 /nfs/dbraw/zinc/64/01/86/815640186.db2.gz GVVWKOXUEMNONZ-SNVBAGLBSA-N 1 3 269.345 -0.249 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H](CCO)C1 ZINC001160610469 815645491 /nfs/dbraw/zinc/64/54/91/815645491.db2.gz DCMRVCHMCRZMAD-NEPJUHHUSA-N 1 3 267.373 -0.584 20 0 CBADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160634787 815646791 /nfs/dbraw/zinc/64/67/91/815646791.db2.gz DPBWKQBBRMYETL-SMDDNHRTSA-N 1 3 295.383 -0.403 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160638480 815648621 /nfs/dbraw/zinc/64/86/21/815648621.db2.gz UMSAGUMKRNTOLT-RYUDHWBXSA-N 1 3 280.376 -0.102 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638690 815648688 /nfs/dbraw/zinc/64/86/88/815648688.db2.gz XYMOUBHTBQGRFF-CHWSQXEVSA-N 1 3 292.387 -0.232 20 0 CBADHO CO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160647559 815651937 /nfs/dbraw/zinc/65/19/37/815651937.db2.gz NFQOZMCNCDFSPG-GHMZBOCLSA-N 1 3 253.346 -0.567 20 0 CBADHO CN(C)C1(C)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001160646488 815652183 /nfs/dbraw/zinc/65/21/83/815652183.db2.gz ZGTBJXLHJYMWFC-GARJFASQSA-N 1 3 252.362 -0.901 20 0 CBADHO CN(C)C1(C)CN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001160646489 815652272 /nfs/dbraw/zinc/65/22/72/815652272.db2.gz ZHLJFVFKCURUDI-UHFFFAOYSA-N 1 3 254.378 -0.510 20 0 CBADHO CC(C)[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160669922 815655316 /nfs/dbraw/zinc/65/53/16/815655316.db2.gz OJBHBFDRZSEFIO-NWDGAFQWSA-N 1 3 267.373 -0.321 20 0 CBADHO COC(CN(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)OC ZINC001160683930 815657319 /nfs/dbraw/zinc/65/73/19/815657319.db2.gz OTOLYNVJECLMCT-NSHDSACASA-N 1 3 285.388 -0.062 20 0 CBADHO COC(CN(C)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)OC ZINC001160683930 815657322 /nfs/dbraw/zinc/65/73/22/815657322.db2.gz OTOLYNVJECLMCT-NSHDSACASA-N 1 3 285.388 -0.062 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)CN1CCCC[C@H](N)C1=O ZINC001160695993 815658906 /nfs/dbraw/zinc/65/89/06/815658906.db2.gz SCHIJXWDOOOOAO-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160698527 815660464 /nfs/dbraw/zinc/66/04/64/815660464.db2.gz LRYWMHXFHZZHTH-OBJOEFQTSA-N 1 3 298.431 -0.066 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705788 815662195 /nfs/dbraw/zinc/66/21/95/815662195.db2.gz RWKXZRXXPXMKLK-SFYZADRCSA-N 1 3 269.267 -0.158 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160715399 815663028 /nfs/dbraw/zinc/66/30/28/815663028.db2.gz CEKAVKXHAGSLIY-JTQLQIEISA-N 1 3 296.371 -0.902 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718681 815663084 /nfs/dbraw/zinc/66/30/84/815663084.db2.gz QMNRPCXOGGOKSL-LLVKDONJSA-N 1 3 266.349 -0.492 20 0 CBADHO CN(C(=O)[C@H](N)CCC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718348 815663763 /nfs/dbraw/zinc/66/37/63/815663763.db2.gz GBBISSABHVBJQX-SNVBAGLBSA-N 1 3 277.390 -0.912 20 0 CBADHO O=C(N1CCN2CCC1CC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160725526 815665863 /nfs/dbraw/zinc/66/58/63/815665863.db2.gz BUJHPSYYMVADAC-FZMZJTMJSA-N 1 3 264.373 -0.756 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756007 815667474 /nfs/dbraw/zinc/66/74/74/815667474.db2.gz YMCGCKKDPMIPQI-NSHDSACASA-N 1 3 278.356 -0.219 20 0 CBADHO N[C@@H](C(=O)N1CCc2nccn2CC1)C1CC[NH2+]CC1 ZINC001160760202 815669346 /nfs/dbraw/zinc/66/93/46/815669346.db2.gz HGFAKTIFIMEGPR-CYBMUJFWSA-N 1 3 277.372 -0.405 20 0 CBADHO NC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779703 815671339 /nfs/dbraw/zinc/67/13/39/815671339.db2.gz KVOAVRSVHDPWEU-IPYPFGDCSA-N 1 3 274.368 -0.728 20 0 CBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](C)N)C[C@H]1C[NH2+]CC2 ZINC001160810627 815673438 /nfs/dbraw/zinc/67/34/38/815673438.db2.gz DIWGGBOKJNYIGU-GIPNMCIBSA-N 1 3 269.345 -0.665 20 0 CBADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160819724 815674605 /nfs/dbraw/zinc/67/46/05/815674605.db2.gz LJFZRIBOAUMZHY-FIQHERPVSA-N 1 3 283.372 -0.147 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160837322 815675895 /nfs/dbraw/zinc/67/58/95/815675895.db2.gz HXRCDPZRBCUHKI-OLZOCXBDSA-N 1 3 295.387 -0.921 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001160838767 815675936 /nfs/dbraw/zinc/67/59/36/815675936.db2.gz LVFLGJQCRSPLFQ-WCQYABFASA-N 1 3 255.362 -0.083 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC001160849018 815678723 /nfs/dbraw/zinc/67/87/23/815678723.db2.gz MFTAHJTULRADFD-MNOVXSKESA-N 1 3 263.345 -0.195 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC001160849018 815678732 /nfs/dbraw/zinc/67/87/32/815678732.db2.gz MFTAHJTULRADFD-MNOVXSKESA-N 1 3 263.345 -0.195 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001160883257 815684156 /nfs/dbraw/zinc/68/41/56/815684156.db2.gz IZZNYSWRXONJKD-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@@H]21 ZINC001160883377 815684189 /nfs/dbraw/zinc/68/41/89/815684189.db2.gz KIFPJYYBXOGSOP-MROQNXINSA-N 1 3 295.383 -0.419 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001160890043 815685308 /nfs/dbraw/zinc/68/53/08/815685308.db2.gz TVWDXMZTBKBSJK-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001160883858 815685925 /nfs/dbraw/zinc/68/59/25/815685925.db2.gz WVELMQHRNAFUKX-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160952199 815690175 /nfs/dbraw/zinc/69/01/75/815690175.db2.gz RDICCXHQPKDKQF-LLVKDONJSA-N 1 3 284.404 -0.231 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967017 815691024 /nfs/dbraw/zinc/69/10/24/815691024.db2.gz IJMCDPJEEFLYFT-IONNQARKSA-N 1 3 273.287 -0.526 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]21 ZINC001161080990 815709549 /nfs/dbraw/zinc/70/95/49/815709549.db2.gz AUZHPRYCABPCQD-RYUDHWBXSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001161081881 815711624 /nfs/dbraw/zinc/71/16/24/815711624.db2.gz MHOPJWZWXQOMBP-NOOOWODRSA-N 1 3 253.346 -0.738 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081887 815711774 /nfs/dbraw/zinc/71/17/74/815711774.db2.gz MHOPJWZWXQOMBP-RHYQMDGZSA-N 1 3 253.346 -0.738 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001161082048 815711910 /nfs/dbraw/zinc/71/19/10/815711910.db2.gz NJWKLGLBOCUEQN-USZNOCQGSA-N 1 3 253.346 -0.738 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001161082045 815711977 /nfs/dbraw/zinc/71/19/77/815711977.db2.gz NJWKLGLBOCUEQN-RHYQMDGZSA-N 1 3 253.346 -0.738 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161129439 815717215 /nfs/dbraw/zinc/71/72/15/815717215.db2.gz FTOYEJJQXCJBJM-UONOGXRCSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCC(=O)OC)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161129502 815717515 /nfs/dbraw/zinc/71/75/15/815717515.db2.gz COAFCGQIYZYCRM-SNVBAGLBSA-N 1 3 269.345 -0.793 20 0 CBADHO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@@H]1C ZINC001161117876 815717693 /nfs/dbraw/zinc/71/76/93/815717693.db2.gz WEQLQWPKFKIABB-IJLUTSLNSA-N 1 3 295.383 -0.405 20 0 CBADHO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H]1C ZINC001161117877 815717773 /nfs/dbraw/zinc/71/77/73/815717773.db2.gz WEQLQWPKFKIABB-UTUOFQBUSA-N 1 3 295.383 -0.405 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2[nH]ccc2C1 ZINC001161134528 815719086 /nfs/dbraw/zinc/71/90/86/815719086.db2.gz BDYSHLYTJQYQIB-NSHDSACASA-N 1 3 260.341 -0.292 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2[nH]ccc2C1 ZINC001161134527 815719173 /nfs/dbraw/zinc/71/91/73/815719173.db2.gz BDYSHLYTJQYQIB-LLVKDONJSA-N 1 3 260.341 -0.292 20 0 CBADHO CO[C@H](C)C1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161146117 815722227 /nfs/dbraw/zinc/72/22/27/815722227.db2.gz MRYXKKYGSPYVKD-MWLCHTKSSA-N 1 3 253.346 -0.711 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161171414 815725269 /nfs/dbraw/zinc/72/52/69/815725269.db2.gz LCADPLGFAAGRRF-OLZOCXBDSA-N 1 3 295.387 -0.567 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)CO1 ZINC001161235437 815732741 /nfs/dbraw/zinc/73/27/41/815732741.db2.gz QVQZAAZSOMNMTK-AEJSXWLSSA-N 1 3 261.391 -0.359 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@](F)(C[NH3+])C2)C1=O ZINC001161246659 815734445 /nfs/dbraw/zinc/73/44/45/815734445.db2.gz NJLYTUAXSDOUKA-GWCFXTLKSA-N 1 3 286.351 -0.775 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264511 815735890 /nfs/dbraw/zinc/73/58/90/815735890.db2.gz OKXJPGATXJXZKE-GFCCVEGCSA-N 1 3 298.387 -0.114 20 0 CBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161289321 815736663 /nfs/dbraw/zinc/73/66/63/815736663.db2.gz QCCXYZMMZJNWQY-GHMZBOCLSA-N 1 3 285.392 -0.685 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297577 815738472 /nfs/dbraw/zinc/73/84/72/815738472.db2.gz ZEXABMHXAOCCAG-SNVBAGLBSA-N 1 3 268.361 -0.676 20 0 CBADHO N[C@H](C(=O)N1CCC2(CCC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161298056 815738668 /nfs/dbraw/zinc/73/86/68/815738668.db2.gz FHQAGMPLFRXQPJ-ZDUSSCGKSA-N 1 3 294.399 -0.416 20 0 CBADHO NC(C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)C(F)(F)F ZINC001161377558 815748462 /nfs/dbraw/zinc/74/84/62/815748462.db2.gz HPXLRDRQVBNRAR-UWVGGRQHSA-N 1 3 294.321 -0.100 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413859 815751153 /nfs/dbraw/zinc/75/11/53/815751153.db2.gz RLYPXAAPMHWMRJ-GCQYFTOKSA-N 1 3 296.415 -0.328 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412041 815751652 /nfs/dbraw/zinc/75/16/52/815751652.db2.gz FKLXWOSKLZKZHL-HKWIRBFKSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412041 815751659 /nfs/dbraw/zinc/75/16/59/815751659.db2.gz FKLXWOSKLZKZHL-HKWIRBFKSA-N 1 3 263.345 -0.525 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161489368 815760594 /nfs/dbraw/zinc/76/05/94/815760594.db2.gz LXHYJGYAQVTQFQ-JSGCOSHPSA-N 1 3 279.388 -0.123 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491597 815761588 /nfs/dbraw/zinc/76/15/88/815761588.db2.gz GAMSFBURCQNWHP-AXFHLTTASA-N 1 3 269.345 -0.883 20 0 CBADHO COc1cccc(C[C@H](N)C(=O)N2C[C@@H](OC)[C@@H]([NH3+])C2)c1 ZINC001161493305 815761768 /nfs/dbraw/zinc/76/17/68/815761768.db2.gz KFPHNYGTILSLGV-MELADBBJSA-N 1 3 293.367 -0.251 20 0 CBADHO CO[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001161534543 815767639 /nfs/dbraw/zinc/76/76/39/815767639.db2.gz NTHRUNCUZPRNBN-IJLUTSLNSA-N 1 3 267.373 -0.179 20 0 CBADHO CC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161527265 815768326 /nfs/dbraw/zinc/76/83/26/815768326.db2.gz XTHNQFLICQVPAJ-MBNYWOFBSA-N 1 3 265.357 -0.235 20 0 CBADHO [NH3+]C1CCN(c2cccc(NC(CO)CO)n2)CC1 ZINC001161747294 815782471 /nfs/dbraw/zinc/78/24/71/815782471.db2.gz FXLOEXZQHIRVAW-UHFFFAOYSA-N 1 3 266.345 -0.226 20 0 CBADHO [NH3+][C@H]1COC[C@H]1Nc1ccc2c(n1)OCCNC2 ZINC001162916646 815846716 /nfs/dbraw/zinc/84/67/16/815846716.db2.gz BPGISDCYSQVMAM-VHSXEESVSA-N 1 3 250.302 -0.298 20 0 CBADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(C(N)=O)nn1 ZINC001163123219 815860086 /nfs/dbraw/zinc/86/00/86/815860086.db2.gz ZIYCZBAAYZUYDU-UHFFFAOYSA-N 1 3 279.348 -0.146 20 0 CBADHO CC[NH+](CC)CCNC(=N)Nc1ccc(C(N)=O)nn1 ZINC001163123219 815860091 /nfs/dbraw/zinc/86/00/91/815860091.db2.gz ZIYCZBAAYZUYDU-UHFFFAOYSA-N 1 3 279.348 -0.146 20 0 CBADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001293334848 816516236 /nfs/dbraw/zinc/51/62/36/816516236.db2.gz ZMPHPCAYWMVTSD-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001293334848 816516240 /nfs/dbraw/zinc/51/62/40/816516240.db2.gz ZMPHPCAYWMVTSD-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001293333226 816516741 /nfs/dbraw/zinc/51/67/41/816516741.db2.gz KZAURRNKPLJCSU-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001293333226 816516742 /nfs/dbraw/zinc/51/67/42/816516742.db2.gz KZAURRNKPLJCSU-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304083880 816778846 /nfs/dbraw/zinc/77/88/46/816778846.db2.gz KRKXHNFCHDXDAU-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CCOCCO)C1 ZINC001316939779 816904284 /nfs/dbraw/zinc/90/42/84/816904284.db2.gz ARXSKVTWVQCJMO-KBPBESRZSA-N 1 3 299.415 -0.330 20 0 CBADHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CCOCCO)C1 ZINC001316939779 816904288 /nfs/dbraw/zinc/90/42/88/816904288.db2.gz ARXSKVTWVQCJMO-KBPBESRZSA-N 1 3 299.415 -0.330 20 0 CBADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317662611 817042041 /nfs/dbraw/zinc/04/20/41/817042041.db2.gz ZGNCIJQWXBROTJ-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317662611 817042051 /nfs/dbraw/zinc/04/20/51/817042051.db2.gz ZGNCIJQWXBROTJ-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660426 817042938 /nfs/dbraw/zinc/04/29/38/817042938.db2.gz CTIFVCPSRLLQPL-ZDUSSCGKSA-N 1 3 298.431 -0.242 20 0 CBADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317660426 817042948 /nfs/dbraw/zinc/04/29/48/817042948.db2.gz CTIFVCPSRLLQPL-ZDUSSCGKSA-N 1 3 298.431 -0.242 20 0 CBADHO C[NH+](C)CC1(C(=O)NCC2CN(CCCO)C2)CC1 ZINC001318148530 817080441 /nfs/dbraw/zinc/08/04/41/817080441.db2.gz KBRPLDDNRXIJGM-UHFFFAOYSA-N 1 3 269.389 -0.241 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCO)C(C)C ZINC001319958576 817260082 /nfs/dbraw/zinc/26/00/82/817260082.db2.gz UGPHAUPMHAYMLU-GFCCVEGCSA-N 1 3 268.361 -0.017 20 0 CBADHO CC(C)[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001320233708 817300405 /nfs/dbraw/zinc/30/04/05/817300405.db2.gz IHAPQAZBAKYOFN-LLVKDONJSA-N 1 3 257.378 -0.054 20 0 CBADHO C[NH+]1CCC(CC(=O)NC[C@H](O)CNCCF)CC1 ZINC001320284175 817314914 /nfs/dbraw/zinc/31/49/14/817314914.db2.gz TXEBBNSCUZTOTM-GFCCVEGCSA-N 1 3 275.368 -0.246 20 0 CBADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001320550979 817353413 /nfs/dbraw/zinc/35/34/13/817353413.db2.gz YREVUFCEYBBIRA-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001321220714 817464384 /nfs/dbraw/zinc/46/43/84/817464384.db2.gz CCJFXVZYMXOVFB-QRGHLMKCSA-N 1 3 270.377 -0.665 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C)C1 ZINC001321251099 817468371 /nfs/dbraw/zinc/46/83/71/817468371.db2.gz QPNFNXRKWQTELG-MUBLQREKSA-N 1 3 296.415 -0.322 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C)C1 ZINC001321251099 817468377 /nfs/dbraw/zinc/46/83/77/817468377.db2.gz QPNFNXRKWQTELG-MUBLQREKSA-N 1 3 296.415 -0.322 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321248311 817468818 /nfs/dbraw/zinc/46/88/18/817468818.db2.gz AUVNNCMFEVTWFW-WWKJKZQJSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321248311 817468821 /nfs/dbraw/zinc/46/88/21/817468821.db2.gz AUVNNCMFEVTWFW-WWKJKZQJSA-N 1 3 296.415 -0.275 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220807198 825103894 /nfs/dbraw/zinc/10/38/94/825103894.db2.gz CXDJELURSNIKCQ-SECBINFHSA-N 1 3 264.320 -0.490 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)CC[NH3+] ZINC001238566837 825555777 /nfs/dbraw/zinc/55/57/77/825555777.db2.gz XHTXMJKIHFSIRC-NSHDSACASA-N 1 3 263.407 -0.015 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCCF)[NH+](C)C ZINC001268320743 827297718 /nfs/dbraw/zinc/29/77/18/827297718.db2.gz BOHVCUIYKHLMEX-WDEREUQCSA-N 1 3 263.357 -0.391 20 0 CBADHO Cc1cc(CN)nn1-c1nccnc1N1CC[NH2+]CC1 ZINC001163978376 819877262 /nfs/dbraw/zinc/87/72/62/819877262.db2.gz ZLNSCUJLKHAAAL-UHFFFAOYSA-N 1 3 273.344 -0.161 20 0 CBADHO CN(c1cnc2c(c1)CNCC2)S(=O)(=O)CC[NH3+] ZINC001164296713 819903776 /nfs/dbraw/zinc/90/37/76/819903776.db2.gz MIIOCRLOXYVJKT-UHFFFAOYSA-N 1 3 270.358 -0.548 20 0 CBADHO C[C@@H]1CN(c2ccc(=NOCC[NH3+])[n-]n2)CC[NH2+]1 ZINC001164415444 819910997 /nfs/dbraw/zinc/91/09/97/819910997.db2.gz VVVCCQUJITWBQS-SECBINFHSA-N 1 3 252.322 -0.423 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001166626639 820008841 /nfs/dbraw/zinc/00/88/41/820008841.db2.gz IIHLMDGGQTZEEQ-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627633 820009533 /nfs/dbraw/zinc/00/95/33/820009533.db2.gz XXQVGEVQOIZEBW-CHWSQXEVSA-N 1 3 287.404 -0.426 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626607 820010720 /nfs/dbraw/zinc/01/07/20/820010720.db2.gz HRTSWBGPILZDMA-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626609 820010789 /nfs/dbraw/zinc/01/07/89/820010789.db2.gz HRTSWBGPILZDMA-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667401 820013418 /nfs/dbraw/zinc/01/34/18/820013418.db2.gz AKLRTPIFDNPFML-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166668154 820013556 /nfs/dbraw/zinc/01/35/56/820013556.db2.gz SSMMKBBHWYEOAS-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001166744293 820034358 /nfs/dbraw/zinc/03/43/58/820034358.db2.gz PAVDCXZNGHJVNQ-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166765295 820034497 /nfs/dbraw/zinc/03/44/97/820034497.db2.gz WPNGRAYZMLMJJR-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001166858003 820041755 /nfs/dbraw/zinc/04/17/55/820041755.db2.gz KCYLYGCKUBYXNG-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001166858410 820042144 /nfs/dbraw/zinc/04/21/44/820042144.db2.gz TWKHBVDJPMYTHW-LBPRGKRZSA-N 1 3 282.392 -0.249 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001166866721 820042373 /nfs/dbraw/zinc/04/23/73/820042373.db2.gz RRLLAEWBLFRFLK-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167480595 820092726 /nfs/dbraw/zinc/09/27/26/820092726.db2.gz MPXXDZOUJZPTLU-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO N=c1cc(C[NH3+])ccn1-c1ncnc2c1CNCC2 ZINC001167683271 820112150 /nfs/dbraw/zinc/11/21/50/820112150.db2.gz KODWCXBPIMCSCD-UHFFFAOYSA-N 1 3 256.313 -0.149 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001168747352 820171951 /nfs/dbraw/zinc/17/19/51/820171951.db2.gz IQXALONXFOMXFU-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO C[NH+]1CCN(c2cc(-n3cnc(CN)n3)ncn2)CC1 ZINC001168750654 820175158 /nfs/dbraw/zinc/17/51/58/820175158.db2.gz QLGOREFRTNLUJE-UHFFFAOYSA-N 1 3 274.332 -0.732 20 0 CBADHO COc1c(N[C@@H](C)[C@@H]2CNCCO2)ncnc1C1C[NH2+]C1 ZINC001170566607 820305189 /nfs/dbraw/zinc/30/51/89/820305189.db2.gz AGECDFKYWXJDTM-ONGXEEELSA-N 1 3 293.371 -0.039 20 0 CBADHO C[C@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001170557940 820305304 /nfs/dbraw/zinc/30/53/04/820305304.db2.gz JEYJQPODCWIEKA-NWDGAFQWSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@H](Nc1nccc(C2C[NH2+]C2)n1)[C@@H]1CNCCO1 ZINC001170574907 820307869 /nfs/dbraw/zinc/30/78/69/820307869.db2.gz XRWGVUHQFWNIMW-CABZTGNLSA-N 1 3 263.345 -0.048 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](CC)C(N)=O ZINC001171763189 820370072 /nfs/dbraw/zinc/37/00/72/820370072.db2.gz UWCODDQAIUCNNE-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001171763330 820370377 /nfs/dbraw/zinc/37/03/77/820370377.db2.gz ZDRWSOCOLYPBNL-GFCCVEGCSA-N 1 3 275.393 -0.569 20 0 CBADHO CCN1CC[C@@H](N2CCN(CC[NH3+])CC2)CC1=O ZINC001172025022 820377402 /nfs/dbraw/zinc/37/74/02/820377402.db2.gz BUNCNZLGXOFWSW-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108215 820381702 /nfs/dbraw/zinc/38/17/02/820381702.db2.gz SFKRMYNBECQYJA-PPHWHCQRSA-N 1 3 284.400 -0.306 20 0 CBADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2 ZINC001172108215 820381713 /nfs/dbraw/zinc/38/17/13/820381713.db2.gz SFKRMYNBECQYJA-PPHWHCQRSA-N 1 3 284.400 -0.306 20 0 CBADHO COCCC[NH+]1CCC(NCC2(O)COC2)CC1 ZINC001172245578 820392650 /nfs/dbraw/zinc/39/26/50/820392650.db2.gz WZIXKCMQHSGIDU-UHFFFAOYSA-N 1 3 258.362 -0.162 20 0 CBADHO COCCCN1CCC(N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001172243399 820393948 /nfs/dbraw/zinc/39/39/48/820393948.db2.gz JDAAECCGTSADRD-UHFFFAOYSA-N 1 3 293.433 -0.292 20 0 CBADHO [NH3+]CCN1CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173734648 820408469 /nfs/dbraw/zinc/40/84/69/820408469.db2.gz NUVYGMTULKCUIA-STQMWFEESA-N 1 3 279.392 -0.267 20 0 CBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176072457 820437629 /nfs/dbraw/zinc/43/76/29/820437629.db2.gz UVTWBMMJBWUCLY-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176072457 820437631 /nfs/dbraw/zinc/43/76/31/820437631.db2.gz UVTWBMMJBWUCLY-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC(N)=O ZINC001176948430 820481525 /nfs/dbraw/zinc/48/15/25/820481525.db2.gz WVQMSKFIOVUGRI-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176986674 820486440 /nfs/dbraw/zinc/48/64/40/820486440.db2.gz SDFKYPGMRSFRSW-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176986454 820486807 /nfs/dbraw/zinc/48/68/07/820486807.db2.gz OTWZNONLQJDHDP-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001179435540 820626807 /nfs/dbraw/zinc/62/68/07/820626807.db2.gz UTFJBXYLTLLASL-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001179481948 820629709 /nfs/dbraw/zinc/62/97/09/820629709.db2.gz MZYVWGZQMTVZGV-UWVGGRQHSA-N 1 3 256.350 -0.998 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001179482390 820629828 /nfs/dbraw/zinc/62/98/28/820629828.db2.gz RJAIRLGSIFWOGF-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)CC[NH+](C)C ZINC001179486884 820630213 /nfs/dbraw/zinc/63/02/13/820630213.db2.gz UBTJHHUVTVCWAG-AVGNSLFASA-N 1 3 296.415 -0.252 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001179744008 820639241 /nfs/dbraw/zinc/63/92/41/820639241.db2.gz CGIKPWRCPIHHGF-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179982968 820646770 /nfs/dbraw/zinc/64/67/70/820646770.db2.gz JGGQTCUPHRLBTF-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131993 820652454 /nfs/dbraw/zinc/65/24/54/820652454.db2.gz QSSDGMPOXPTIND-MJBXVCDLSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180212042 820653507 /nfs/dbraw/zinc/65/35/07/820653507.db2.gz YOPNCCOJMUAPIV-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001180226843 820655356 /nfs/dbraw/zinc/65/53/56/820655356.db2.gz OVWZGSCCRTZPSQ-SRVKXCTJSA-N 1 3 284.404 -0.221 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)CN(CC)CC ZINC001180390686 820677919 /nfs/dbraw/zinc/67/79/19/820677919.db2.gz DZRQQCIWMYRSHS-UHFFFAOYSA-N 1 3 259.350 -0.321 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653340 820806214 /nfs/dbraw/zinc/80/62/14/820806214.db2.gz YGUFRMFLEUBYDW-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651688 820807846 /nfs/dbraw/zinc/80/78/46/820807846.db2.gz FDFHMFRANAYWIZ-NEPJUHHUSA-N 1 3 282.388 -0.641 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001181672799 820809073 /nfs/dbraw/zinc/80/90/73/820809073.db2.gz CKVONDQZHNYHPD-NEPJUHHUSA-N 1 3 255.362 -0.347 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182391302 820912458 /nfs/dbraw/zinc/91/24/58/820912458.db2.gz NHQYHKWDTHFYIG-DTWKUNHWSA-N 1 3 269.349 -0.828 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182615737 820931114 /nfs/dbraw/zinc/93/11/14/820931114.db2.gz NSCWIUTVMVCQRF-CHWSQXEVSA-N 1 3 294.399 -0.735 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@H](O)C1 ZINC001182649150 820933749 /nfs/dbraw/zinc/93/37/49/820933749.db2.gz XJKULAGPSZRPLB-MGCOHNPYSA-N 1 3 256.350 -0.179 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182741735 820939996 /nfs/dbraw/zinc/93/99/96/820939996.db2.gz TUSCVOGZENNWAK-QMTHXVAHSA-N 1 3 293.371 -0.488 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183392481 820992416 /nfs/dbraw/zinc/99/24/16/820992416.db2.gz WWGUQLRRFULWFO-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183392481 820992422 /nfs/dbraw/zinc/99/24/22/820992422.db2.gz WWGUQLRRFULWFO-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001183581178 821008010 /nfs/dbraw/zinc/00/80/10/821008010.db2.gz FZHXWCOSVWRVJT-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647708 821012942 /nfs/dbraw/zinc/01/29/42/821012942.db2.gz IQDLCURUSQISKD-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647434 821013207 /nfs/dbraw/zinc/01/32/07/821013207.db2.gz HRMLDZSJYQDNSX-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001185249059 821111588 /nfs/dbraw/zinc/11/15/88/821111588.db2.gz MNJYNCGXYIIQPW-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265631 821118539 /nfs/dbraw/zinc/11/85/39/821118539.db2.gz RLUNLGDCSHUZAF-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001185415895 821128297 /nfs/dbraw/zinc/12/82/97/821128297.db2.gz JIKQYGXIFFPKTE-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408246 821128796 /nfs/dbraw/zinc/12/87/96/821128796.db2.gz PLRAYQNBBFTTOA-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407844 821129404 /nfs/dbraw/zinc/12/94/04/821129404.db2.gz FXIFGSNDOACDAU-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185408675 821129429 /nfs/dbraw/zinc/12/94/29/821129429.db2.gz VPIKVQFTMAOKRA-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185917676 821145343 /nfs/dbraw/zinc/14/53/43/821145343.db2.gz DHJNSOMTSMRPPY-GFCCVEGCSA-N 1 3 296.371 -0.194 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001186486828 821183780 /nfs/dbraw/zinc/18/37/80/821183780.db2.gz DQFQRNOAUDSQQB-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001186488658 821183904 /nfs/dbraw/zinc/18/39/04/821183904.db2.gz QNBWGOIHQNFCFX-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001186488657 821184009 /nfs/dbraw/zinc/18/40/09/821184009.db2.gz QNBWGOIHQNFCFX-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001186824929 821198474 /nfs/dbraw/zinc/19/84/74/821198474.db2.gz RBKBODHWWSATFX-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001186824929 821198483 /nfs/dbraw/zinc/19/84/83/821198483.db2.gz RBKBODHWWSATFX-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001186816542 821198714 /nfs/dbraw/zinc/19/87/14/821198714.db2.gz AEBWJDDEJQNQLX-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001186816542 821198720 /nfs/dbraw/zinc/19/87/20/821198720.db2.gz AEBWJDDEJQNQLX-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106097 821213255 /nfs/dbraw/zinc/21/32/55/821213255.db2.gz BFIHCTXDWLXBGL-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106097 821213264 /nfs/dbraw/zinc/21/32/64/821213264.db2.gz BFIHCTXDWLXBGL-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCCF)C1 ZINC001187121795 821214611 /nfs/dbraw/zinc/21/46/11/821214611.db2.gz LRTRDASHWBDHPZ-LLVKDONJSA-N 1 3 261.341 -0.275 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001280263765 828347573 /nfs/dbraw/zinc/34/75/73/828347573.db2.gz LTFBYYAKLPQQOK-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280151168 828345160 /nfs/dbraw/zinc/34/51/60/828345160.db2.gz GBOITVNLUIAELQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001187323027 822266976 /nfs/dbraw/zinc/26/69/76/822266976.db2.gz UXYATIZWMOEDPY-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001187322137 822267024 /nfs/dbraw/zinc/26/70/24/822267024.db2.gz LAKUWLWGJVRPPJ-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001187322663 822267706 /nfs/dbraw/zinc/26/77/06/822267706.db2.gz QYNCYJPBOIXKRO-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826075 822299244 /nfs/dbraw/zinc/29/92/44/822299244.db2.gz USHNAVUFIZQTKX-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826075 822299251 /nfs/dbraw/zinc/29/92/51/822299251.db2.gz USHNAVUFIZQTKX-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001187842930 822299737 /nfs/dbraw/zinc/29/97/37/822299737.db2.gz SBONFGBMVHZUER-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843166 822300917 /nfs/dbraw/zinc/30/09/17/822300917.db2.gz WEPLZTOENCNICQ-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001188085864 822318308 /nfs/dbraw/zinc/31/83/08/822318308.db2.gz RYQCADVURZJRLS-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCO ZINC001282230229 828439203 /nfs/dbraw/zinc/43/92/03/828439203.db2.gz VDKGIRNUJGYIHX-RKDXNWHRSA-N 1 3 254.334 -0.264 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283065923 828493866 /nfs/dbraw/zinc/49/38/66/828493866.db2.gz HYSAFKYUHLTKRK-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283065923 828493868 /nfs/dbraw/zinc/49/38/68/828493868.db2.gz HYSAFKYUHLTKRK-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189040918 823731628 /nfs/dbraw/zinc/73/16/28/823731628.db2.gz JQRXAVACAJCXRL-YNEHKIRRSA-N 1 3 294.399 -0.641 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncnc1N ZINC001189122157 823738266 /nfs/dbraw/zinc/73/82/66/823738266.db2.gz RAHRBLRZOCVWNN-UHFFFAOYSA-N 1 3 251.294 -0.867 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]CCF)CCC1 ZINC001284417930 828592754 /nfs/dbraw/zinc/59/27/54/828592754.db2.gz ZJFSAYKXKBWZLA-LLVKDONJSA-N 1 3 275.368 -0.151 20 0 CBADHO COCCn1cncc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001194653669 824081797 /nfs/dbraw/zinc/08/17/97/824081797.db2.gz PDIIIIHLKUAQNO-UHFFFAOYSA-N 1 3 282.348 -0.396 20 0 CBADHO Cc1cn(C)nc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001194841590 824092688 /nfs/dbraw/zinc/09/26/88/824092688.db2.gz DTVFMUSHRKXIJV-UHFFFAOYSA-N 1 3 252.322 -0.197 20 0 CBADHO COC[C@H](O)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044366 824177567 /nfs/dbraw/zinc/17/75/67/824177567.db2.gz RVLKOILFFHHJSZ-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696173 824324643 /nfs/dbraw/zinc/32/46/43/824324643.db2.gz JIFGAQRZCYYKEO-ZIAGYGMSSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201402089 824332025 /nfs/dbraw/zinc/33/20/25/824332025.db2.gz ANIXLXYIRZGBBM-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203437879 824362226 /nfs/dbraw/zinc/36/22/26/824362226.db2.gz VUDIFZJDYWMELP-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714876 824362816 /nfs/dbraw/zinc/36/28/16/824362816.db2.gz UIELCCFAWPFXLS-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709168 824362995 /nfs/dbraw/zinc/36/29/95/824362995.db2.gz MVEPNTYDYGCVKS-AWEZNQCLSA-N 1 3 299.415 -0.330 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001203932521 824363529 /nfs/dbraw/zinc/36/35/29/824363529.db2.gz ISUBWUPBIXMZKG-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001203925899 824363695 /nfs/dbraw/zinc/36/36/95/824363695.db2.gz YKRIRQHPMGVJHH-CYBMUJFWSA-N 1 3 296.415 -0.204 20 0 CBADHO [NH3+][C@@H]1CN(Cc2ccc3n2CCNC3)CC[C@H]1O ZINC001206092425 824392998 /nfs/dbraw/zinc/39/29/98/824392998.db2.gz FUYGKPJBZDOVST-CHWSQXEVSA-N 1 3 250.346 -0.515 20 0 CBADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001206401165 824398022 /nfs/dbraw/zinc/39/80/22/824398022.db2.gz BPZWRRIRJVTDCX-SNVBAGLBSA-N 1 3 293.371 -0.346 20 0 CBADHO O=C1COC[C@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC001207439647 824427686 /nfs/dbraw/zinc/42/76/86/824427686.db2.gz XAUOPOIJAZWWFJ-GFCCVEGCSA-N 1 3 253.346 -0.471 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208454081 824452824 /nfs/dbraw/zinc/45/28/24/824452824.db2.gz SIHPUZSBBCVFIL-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208454081 824452829 /nfs/dbraw/zinc/45/28/29/824452829.db2.gz SIHPUZSBBCVFIL-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209278296 824465844 /nfs/dbraw/zinc/46/58/44/824465844.db2.gz ODBOGVIKXTVCHX-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315542 824468962 /nfs/dbraw/zinc/46/89/62/824468962.db2.gz QVHLOFJEBRLFKD-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001209669605 824474365 /nfs/dbraw/zinc/47/43/65/824474365.db2.gz QITOWLGCYSGPHH-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829639 824476537 /nfs/dbraw/zinc/47/65/37/824476537.db2.gz JBEULNVOJURGRH-TZMCWYRMSA-N 1 3 299.415 -0.474 20 0 CBADHO Cn1nnnc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218497082 824570290 /nfs/dbraw/zinc/57/02/90/824570290.db2.gz NYBJFVLSJWFSPY-QMMMGPOBSA-N 1 3 255.326 -0.792 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214335896 824528390 /nfs/dbraw/zinc/52/83/90/824528390.db2.gz METJZZCZOOZJNB-IJLUTSLNSA-N 1 3 282.388 -0.737 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680523 824543541 /nfs/dbraw/zinc/54/35/41/824543541.db2.gz AAVFTTWEJDVLEW-RAIGVLPGSA-N 1 3 296.371 -0.604 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852268 824551176 /nfs/dbraw/zinc/55/11/76/824551176.db2.gz TVKSAUXACMRDLJ-FRRDWIJNSA-N 1 3 298.431 -0.102 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2C[NH2+]CCOC2)cc1 ZINC001218044032 824564876 /nfs/dbraw/zinc/56/48/76/824564876.db2.gz LQOZXVUERGCFBQ-STQMWFEESA-N 1 3 279.340 -0.591 20 0 CBADHO Cn1nnnc1[N-]C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218497082 824570298 /nfs/dbraw/zinc/57/02/98/824570298.db2.gz NYBJFVLSJWFSPY-QMMMGPOBSA-N 1 3 255.326 -0.792 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nnnn1C ZINC001218497220 824570778 /nfs/dbraw/zinc/57/07/78/824570778.db2.gz PFRSCTZWQNXAPM-VIFPVBQESA-N 1 3 269.353 -0.356 20 0 CBADHO CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)[N-]c1nnnn1C ZINC001218497220 824570782 /nfs/dbraw/zinc/57/07/82/824570782.db2.gz PFRSCTZWQNXAPM-VIFPVBQESA-N 1 3 269.353 -0.356 20 0 CBADHO Cc1cnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)nc1C ZINC001218498230 824570799 /nfs/dbraw/zinc/57/07/99/824570799.db2.gz WULUCEPLNRZDSL-SNVBAGLBSA-N 1 3 261.329 -0.159 20 0 CBADHO O=C(Nc1noc2cccnc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218503091 824571870 /nfs/dbraw/zinc/57/18/70/824571870.db2.gz LLBAZIWDADSWFT-MRVPVSSYSA-N 1 3 273.296 -0.030 20 0 CBADHO O=C(Nc1ccc(Cl)nn1)[C@H]1C[NH2+]CC12CNC2 ZINC001218509076 824576074 /nfs/dbraw/zinc/57/60/74/824576074.db2.gz PKMISQAGUYDHSG-SSDOTTSWSA-N 1 3 267.720 -0.123 20 0 CBADHO Cn1c(NC(=O)[C@H](N)CCC[NH3+])nnc1C(F)(F)F ZINC001218514492 824579643 /nfs/dbraw/zinc/57/96/43/824579643.db2.gz AFWIVDOQEVQRDH-RXMQYKEDSA-N 1 3 280.254 -0.161 20 0 CBADHO Cc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n2ncnc2n1 ZINC001218528466 824583302 /nfs/dbraw/zinc/58/33/02/824583302.db2.gz ULDXALOKJDNMOY-NSHDSACASA-N 1 3 289.343 -0.302 20 0 CBADHO Cc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)n2ncnc2n1 ZINC001218528462 824583372 /nfs/dbraw/zinc/58/33/72/824583372.db2.gz ULDXALOKJDNMOY-LLVKDONJSA-N 1 3 289.343 -0.302 20 0 CBADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3CNCCN3)sc2C1 ZINC001218535074 824586165 /nfs/dbraw/zinc/58/61/65/824586165.db2.gz WNJBQOPLUVUJBH-VXNVDRBHSA-N 1 3 281.385 -0.541 20 0 CBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1O ZINC001218539598 824587628 /nfs/dbraw/zinc/58/76/28/824587628.db2.gz MFGYCZKZPCHEBP-JTQLQIEISA-N 1 3 279.344 -0.524 20 0 CBADHO [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1[O-] ZINC001218539598 824587639 /nfs/dbraw/zinc/58/76/39/824587639.db2.gz MFGYCZKZPCHEBP-JTQLQIEISA-N 1 3 279.344 -0.524 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218549097 824589008 /nfs/dbraw/zinc/58/90/08/824589008.db2.gz FCUFFSBECKYPDY-SSDOTTSWSA-N 1 3 269.305 -0.409 20 0 CBADHO Cc1noc([N-]C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1C(N)=O ZINC001218551801 824589860 /nfs/dbraw/zinc/58/98/60/824589860.db2.gz VKZNOZVGYRYYSC-VIFPVBQESA-N 1 3 281.316 -0.653 20 0 CBADHO O=C(Nc1cc(OCC2CC2)n[nH]1)[C@H]1C[NH2+]CC12CNC2 ZINC001218578227 824596952 /nfs/dbraw/zinc/59/69/52/824596952.db2.gz FQYLRRMAXGGUHI-SNVBAGLBSA-N 1 3 291.355 -0.054 20 0 CBADHO COc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)no1 ZINC001218574300 824597389 /nfs/dbraw/zinc/59/73/89/824597389.db2.gz QMSRGVVTJDMKHV-SSDOTTSWSA-N 1 3 252.274 -0.569 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218580796 824598672 /nfs/dbraw/zinc/59/86/72/824598672.db2.gz XCNMGHBTECIIPR-QMMMGPOBSA-N 1 3 291.311 -0.989 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218622889 824606671 /nfs/dbraw/zinc/60/66/71/824606671.db2.gz YJFICIRIWHUFIA-MRVPVSSYSA-N 1 3 284.751 -0.435 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218620660 824606675 /nfs/dbraw/zinc/60/66/75/824606675.db2.gz DKKVSDUOJBCZNL-LURJTMIESA-N 1 3 272.740 -0.305 20 0 CBADHO COC(=O)c1scnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218625099 824607274 /nfs/dbraw/zinc/60/72/74/824607274.db2.gz STLIDOSOXVHQJE-ZETCQYMHSA-N 1 3 296.352 -0.323 20 0 CBADHO COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1C ZINC001218632123 824610231 /nfs/dbraw/zinc/61/02/31/824610231.db2.gz PBSFABJPEYHRKV-SNVBAGLBSA-N 1 3 292.339 -0.441 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H](N)CCC[NH3+] ZINC001218641901 824612858 /nfs/dbraw/zinc/61/28/58/824612858.db2.gz JRUDSXFGENKTFN-ZCFIWIBFSA-N 1 3 272.740 -0.387 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218651570 824615493 /nfs/dbraw/zinc/61/54/93/824615493.db2.gz BMWZAEMAVJXXGJ-MRVPVSSYSA-N 1 3 284.751 -0.022 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218652789 824616978 /nfs/dbraw/zinc/61/69/78/824616978.db2.gz QABIGFPRPVSSJQ-YFKPBYRVSA-N 1 3 258.713 -0.283 20 0 CBADHO Nc1cnc(Cl)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001218674183 824621168 /nfs/dbraw/zinc/62/11/68/824621168.db2.gz UMTYRZRRLDOEKO-QMMMGPOBSA-N 1 3 284.751 -0.022 20 0 CBADHO COCn1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218700151 824623206 /nfs/dbraw/zinc/62/32/06/824623206.db2.gz DZYFYXLEZQUXDV-SNVBAGLBSA-N 1 3 265.317 -0.766 20 0 CBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001218699511 824623716 /nfs/dbraw/zinc/62/37/16/824623716.db2.gz KMPJCIVEYODISL-SECBINFHSA-N 1 3 289.343 -0.073 20 0 CBADHO NC(=O)c1cnoc1[N-]C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218702796 824624896 /nfs/dbraw/zinc/62/48/96/824624896.db2.gz WSYGXGOJPJOXQQ-MRVPVSSYSA-N 1 3 267.289 -0.961 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710226 824626095 /nfs/dbraw/zinc/62/60/95/824626095.db2.gz GOANDIZQJFEPPA-JGVFFNPUSA-N 1 3 254.290 -0.253 20 0 CBADHO CCN(C)c1ncc(NC(=O)[C@H](N)CCC[NH3+])cn1 ZINC001218741471 824630327 /nfs/dbraw/zinc/63/03/27/824630327.db2.gz WBFNSTRUPNCSOG-SNVBAGLBSA-N 1 3 266.349 -0.063 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1ncccc1CCO ZINC001218790154 824639072 /nfs/dbraw/zinc/63/90/72/824639072.db2.gz BSCODUACOMJNNH-SNVBAGLBSA-N 1 3 252.318 -0.379 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncccc1CCO ZINC001218790153 824639255 /nfs/dbraw/zinc/63/92/55/824639255.db2.gz BSCODUACOMJNNH-JTQLQIEISA-N 1 3 252.318 -0.379 20 0 CBADHO O=C(Nc1cnn2c1OCCC2)[C@H]1C[NH2+]CC12CNC2 ZINC001218794670 824639844 /nfs/dbraw/zinc/63/98/44/824639844.db2.gz UAXDAMVHTAIYRO-SECBINFHSA-N 1 3 277.328 -0.587 20 0 CBADHO NC[C@H](N)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116441 824665392 /nfs/dbraw/zinc/66/53/92/824665392.db2.gz MZSIARXFWSAECP-LBPRGKRZSA-N 1 3 263.345 -0.679 20 0 CBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1CNCCN1 ZINC001219537325 824722933 /nfs/dbraw/zinc/72/29/33/824722933.db2.gz KZCFOMATUSEBNO-XWIASGKRSA-N 1 3 288.351 -0.366 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCN1CCCCC1=O ZINC001219567232 824733214 /nfs/dbraw/zinc/73/32/14/824733214.db2.gz BVJYXMMQUTWDMR-JTQLQIEISA-N 1 3 256.350 -0.819 20 0 CBADHO Cc1ccnc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001219600427 824740520 /nfs/dbraw/zinc/74/05/20/824740520.db2.gz SWSLZJAPNYHUJY-JTQLQIEISA-N 1 3 261.329 -0.790 20 0 CBADHO Cc1cnc(CCNC(=O)[C@@H](N)CSCC[NH3+])nc1 ZINC001219603625 824850425 /nfs/dbraw/zinc/85/04/25/824850425.db2.gz AUPUHDUTHFCVSP-JTQLQIEISA-N 1 3 283.401 -0.537 20 0 CBADHO Cc1nocc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219608222 824852715 /nfs/dbraw/zinc/85/27/15/824852715.db2.gz SRWLRZLBSPNZGB-NSHDSACASA-N 1 3 252.318 -0.074 20 0 CBADHO Cc1nocc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219608537 824852833 /nfs/dbraw/zinc/85/28/33/824852833.db2.gz ZXJNDQNXNLBJLO-VIFPVBQESA-N 1 3 258.347 -0.382 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCN1CCCCO1 ZINC001219632450 824865885 /nfs/dbraw/zinc/86/58/85/824865885.db2.gz NKDHGVODGHASSZ-JTQLQIEISA-N 1 3 276.406 -0.851 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001219638896 824867910 /nfs/dbraw/zinc/86/79/10/824867910.db2.gz RIPOGFZQGXMQEV-UMNHJUIQSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001219638896 824867911 /nfs/dbraw/zinc/86/79/11/824867911.db2.gz RIPOGFZQGXMQEV-UMNHJUIQSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CNCc3ccnn3C2)C1 ZINC001219639123 824868357 /nfs/dbraw/zinc/86/83/57/824868357.db2.gz VLJIXSNGHCDMRK-RWMBFGLXSA-N 1 3 291.399 -0.036 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001219640872 824869718 /nfs/dbraw/zinc/86/97/18/824869718.db2.gz CMIUTWXUVXLVAZ-LOWVWBTDSA-N 1 3 279.388 -0.348 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CCN2CCN(C)CC2)C1 ZINC001219641596 824870387 /nfs/dbraw/zinc/87/03/87/824870387.db2.gz JIIRFYUZFORWTB-KBPBESRZSA-N 1 3 282.432 -0.014 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219642350 824870418 /nfs/dbraw/zinc/87/04/18/824870418.db2.gz SBJCISYFJGVYCR-MXWKQRLJSA-N 1 3 271.361 -0.371 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2(O)CCN(C)CC2)C1 ZINC001219646391 824871891 /nfs/dbraw/zinc/87/18/91/824871891.db2.gz SJSQOIRNASRBKY-NEPJUHHUSA-N 1 3 269.389 -0.195 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219651887 824874474 /nfs/dbraw/zinc/87/44/74/824874474.db2.gz YSWRDHNVPSCYLV-BNOWGMLFSA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)C2CCC(O)CC2)C[NH2+]1 ZINC001219684812 824877402 /nfs/dbraw/zinc/87/74/02/824877402.db2.gz SHDTVWSXGIXUGQ-KRDKVTMHSA-N 1 3 269.389 -0.021 20 0 CBADHO N[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC001219714740 824884680 /nfs/dbraw/zinc/88/46/80/824884680.db2.gz WZPPSDLFXAQEBY-LZIABTKCSA-N 1 3 293.411 -0.021 20 0 CBADHO CN[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)[C@@H](C)OC(C)(C)C ZINC001219712608 824884786 /nfs/dbraw/zinc/88/47/86/824884786.db2.gz RPXWBKAVAYAEMM-DBIOUOCHSA-N 1 3 273.377 -0.773 20 0 CBADHO N[C@H](Cc1cccc(O)c1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720863 824886582 /nfs/dbraw/zinc/88/65/82/824886582.db2.gz TXJWXMFBBSXKMF-GRYCIOLGSA-N 1 3 265.313 -0.896 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767718 824892238 /nfs/dbraw/zinc/89/22/38/824892238.db2.gz CRNLDFCRTKPFNG-PWSUYJOCSA-N 1 3 269.324 -0.513 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777336 824893875 /nfs/dbraw/zinc/89/38/75/824893875.db2.gz GZMGKBSKIBIUDJ-WLRWDXFRSA-N 1 3 287.429 -0.269 20 0 CBADHO NC(=O)NCCC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773107 824894043 /nfs/dbraw/zinc/89/40/43/824894043.db2.gz LSJLGICTFNTLBC-NSHDSACASA-N 1 3 297.403 -0.589 20 0 CBADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@@H](F)CCN1 ZINC001219799667 824895700 /nfs/dbraw/zinc/89/57/00/824895700.db2.gz AJTLQIZPOMKNRS-WOPDTQHZSA-N 1 3 285.363 -0.039 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852748 824902766 /nfs/dbraw/zinc/90/27/66/824902766.db2.gz YKMAAJRYHAJZKQ-AATLWQCWSA-N 1 3 277.315 -0.290 20 0 CBADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCC[NH3+] ZINC001219867914 824905907 /nfs/dbraw/zinc/90/59/07/824905907.db2.gz VIVJFKRJDGJFNY-NSHDSACASA-N 1 3 293.371 -0.616 20 0 CBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219883247 824909417 /nfs/dbraw/zinc/90/94/17/824909417.db2.gz SKXOIVRGRSIRGW-GARJFASQSA-N 1 3 255.362 -0.681 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890121 824910751 /nfs/dbraw/zinc/91/07/51/824910751.db2.gz FJMFNCWPSDCNNX-GHMZBOCLSA-N 1 3 278.356 -0.173 20 0 CBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219891854 824912539 /nfs/dbraw/zinc/91/25/39/824912539.db2.gz ZZVMIKGUWZBRPJ-OBJOEFQTSA-N 1 3 280.372 -0.950 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[NH+](C)C ZINC001219916089 824913214 /nfs/dbraw/zinc/91/32/14/824913214.db2.gz JZDHVMNLZAQWHS-NHCYSSNCSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@H](N)Cc1cncn1C ZINC001219916022 824913845 /nfs/dbraw/zinc/91/38/45/824913845.db2.gz IEGAWZUCUNLKJK-ONGXEEELSA-N 1 3 253.350 -0.644 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219918907 824914534 /nfs/dbraw/zinc/91/45/34/824914534.db2.gz TXCBBMNNBUUHFT-OCCSQVGLSA-N 1 3 295.383 -0.001 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959331 824922154 /nfs/dbraw/zinc/92/21/54/824922154.db2.gz QUSXUVUHYAXVGN-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959332 824922301 /nfs/dbraw/zinc/92/23/01/824922301.db2.gz QUSXUVUHYAXVGN-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219961127 824922601 /nfs/dbraw/zinc/92/26/01/824922601.db2.gz GAOMKSRUUXDXJN-CYBMUJFWSA-N 1 3 290.367 -0.271 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC001219978389 824927365 /nfs/dbraw/zinc/92/73/65/824927365.db2.gz LXNQYPQCIMPOAX-UWVGGRQHSA-N 1 3 261.391 -0.309 20 0 CBADHO O=C(NC[C@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219978726 824927965 /nfs/dbraw/zinc/92/79/65/824927965.db2.gz QYVJBDAMOXULHM-YRGRVCCFSA-N 1 3 267.373 -0.129 20 0 CBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219980878 824929657 /nfs/dbraw/zinc/92/96/57/824929657.db2.gz PYLLZMIRMKNSQT-ZKTNFTSUSA-N 1 3 289.445 -0.070 20 0 CBADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219980878 824929663 /nfs/dbraw/zinc/92/96/63/824929663.db2.gz PYLLZMIRMKNSQT-ZKTNFTSUSA-N 1 3 289.445 -0.070 20 0 CBADHO COC(=O)C1(NC(=O)C(N)C(F)(F)F)CC[NH2+]CC1 ZINC001220001412 824931328 /nfs/dbraw/zinc/93/13/28/824931328.db2.gz QOFRXDUQMGVRFJ-ZCFIWIBFSA-N 1 3 283.250 -0.713 20 0 CBADHO CC(C)[C@](C)(NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001220023448 824938296 /nfs/dbraw/zinc/93/82/96/824938296.db2.gz ZBZFXFZMWKQYIJ-CABZTGNLSA-N 1 3 258.366 -0.541 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)Cc1cncn1C ZINC001220043114 824941642 /nfs/dbraw/zinc/94/16/42/824941642.db2.gz FVJPADIVRKCQJW-NSHDSACASA-N 1 3 289.343 -0.927 20 0 CBADHO COc1ncnc(OC)c1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220044868 824941692 /nfs/dbraw/zinc/94/16/92/824941692.db2.gz CGEYLXMBFVHFAI-JTQLQIEISA-N 1 3 297.359 -0.434 20 0 CBADHO COc1ncnc(OC)c1CNC(=O)[C@H](N)CCC[NH3+] ZINC001220045076 824942288 /nfs/dbraw/zinc/94/22/88/824942288.db2.gz LDACTTHITLOHTG-SECBINFHSA-N 1 3 283.332 -0.824 20 0 CBADHO C[NH2+]CCNC(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220054846 824946612 /nfs/dbraw/zinc/94/66/12/824946612.db2.gz VRZQAEOVCVBQMP-SECBINFHSA-N 1 3 259.350 -0.229 20 0 CBADHO Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c1[O-] ZINC001220092848 824953106 /nfs/dbraw/zinc/95/31/06/824953106.db2.gz GINGKZXFMOBLMT-NSHDSACASA-N 1 3 282.344 -0.730 20 0 CBADHO O=C(N[C@@H]1CCC[C@@H]1O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220099410 824955527 /nfs/dbraw/zinc/95/55/27/824955527.db2.gz LSWDOBOCYLKDBW-HNCHTBHHSA-N 1 3 253.346 -0.785 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113006 824958907 /nfs/dbraw/zinc/95/89/07/824958907.db2.gz HTECABZSKLZLLE-VXGBXAGGSA-N 1 3 267.329 -0.392 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220140909 824965050 /nfs/dbraw/zinc/96/50/50/824965050.db2.gz DANRQLLWLSESCV-HKUMRIAESA-N 1 3 283.372 -0.894 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CCCC[NH3+])[C@H](C)OC1 ZINC001220138808 824965418 /nfs/dbraw/zinc/96/54/18/824965418.db2.gz HGZGHXCNCBNRTL-ONGXEEELSA-N 1 3 299.371 -0.205 20 0 CBADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC001220149858 824968923 /nfs/dbraw/zinc/96/89/23/824968923.db2.gz GIHCTIIQGXUMRT-AXFHLTTASA-N 1 3 268.361 -0.820 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1CC(CO)(CO)C1 ZINC001220151826 824969252 /nfs/dbraw/zinc/96/92/52/824969252.db2.gz IXAKCDXOUJVELS-LBPRGKRZSA-N 1 3 287.404 -0.705 20 0 CBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC1(C[NH3+])COC1 ZINC001220153983 824971120 /nfs/dbraw/zinc/97/11/20/824971120.db2.gz GQXKBNWICKJCBX-SECBINFHSA-N 1 3 287.360 -0.721 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220157066 824973429 /nfs/dbraw/zinc/97/34/29/824973429.db2.gz WDBYCDDSQLRLDB-MDZLAQPJSA-N 1 3 252.362 -0.852 20 0 CBADHO N=C(NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC001220170251 824975972 /nfs/dbraw/zinc/97/59/72/824975972.db2.gz FGNGYELLZXIBRI-LLVKDONJSA-N 1 3 279.319 -0.011 20 0 CBADHO O=C(NCC1CC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220176057 824977452 /nfs/dbraw/zinc/97/74/52/824977452.db2.gz DBCBELBSLGBVQG-ZWNOBZJWSA-N 1 3 251.330 -0.719 20 0 CBADHO Cn1ccc(CNC(=O)[C@@H](N)CSCC[NH3+])cc1=O ZINC001220179151 824978850 /nfs/dbraw/zinc/97/88/50/824978850.db2.gz FPJLQELIABGZJK-JTQLQIEISA-N 1 3 284.385 -0.979 20 0 CBADHO C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cncnc1 ZINC001220183096 824980832 /nfs/dbraw/zinc/98/08/32/824980832.db2.gz DUYIRIDZKLSULY-BXKDBHETSA-N 1 3 263.345 -0.019 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC(=N)c1ncc[nH]1 ZINC001220181557 824981109 /nfs/dbraw/zinc/98/11/09/824981109.db2.gz TYFPLFCUCCQJMM-VIFPVBQESA-N 1 3 266.349 -0.090 20 0 CBADHO C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cncnc1 ZINC001220183689 824981532 /nfs/dbraw/zinc/98/15/32/824981532.db2.gz XARMDOIKBXOQTI-MWLCHTKSSA-N 1 3 261.329 -0.537 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC001220187006 824982619 /nfs/dbraw/zinc/98/26/19/824982619.db2.gz XDEQRGMJMPKXQA-BDAKNGLRSA-N 1 3 264.320 -0.586 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCNCC2(F)F)C1 ZINC001220187156 824983145 /nfs/dbraw/zinc/98/31/45/824983145.db2.gz ZQPQYDKQZVFPOL-HLTSFMKQSA-N 1 3 262.304 -0.963 20 0 CBADHO CC1(C)C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)O1 ZINC001220200260 824984330 /nfs/dbraw/zinc/98/43/30/824984330.db2.gz FRILQGICYDSSGG-UHIISALHSA-N 1 3 267.373 -0.131 20 0 CBADHO N[C@H](C(=O)NC1(c2cccnn2)CC1)C1CC[NH2+]CC1 ZINC001220210005 824987444 /nfs/dbraw/zinc/98/74/44/824987444.db2.gz MYGDXBWWJDXXDL-LBPRGKRZSA-N 1 3 275.356 -0.091 20 0 CBADHO CC(C)(C)[C@H](CO)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220217185 824988154 /nfs/dbraw/zinc/98/81/54/824988154.db2.gz OTPOKGGTHFTAPX-WDEREUQCSA-N 1 3 257.378 -0.164 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1cnccn1 ZINC001220242575 824993108 /nfs/dbraw/zinc/99/31/08/824993108.db2.gz DJDLQXLKZAZNIW-JTQLQIEISA-N 1 3 269.374 -0.846 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220251747 824994454 /nfs/dbraw/zinc/99/44/54/824994454.db2.gz DFHDSGULTSHGOS-WDEREUQCSA-N 1 3 285.392 -0.637 20 0 CBADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220251747 824994459 /nfs/dbraw/zinc/99/44/59/824994459.db2.gz DFHDSGULTSHGOS-WDEREUQCSA-N 1 3 285.392 -0.637 20 0 CBADHO CC1(C)OCC(NC(=O)[C@H](N)C2CC[NH2+]CC2)CO1 ZINC001220270750 825000170 /nfs/dbraw/zinc/00/01/70/825000170.db2.gz FFGKVESHHRCZAL-LLVKDONJSA-N 1 3 271.361 -0.419 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cnn(C)c1 ZINC001220309011 825012280 /nfs/dbraw/zinc/01/22/80/825012280.db2.gz SHOPDJMQQHWQQV-WPRPVWTQSA-N 1 3 271.390 -0.384 20 0 CBADHO Cc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)n(N)c(=O)c1 ZINC001220323411 825015911 /nfs/dbraw/zinc/01/59/11/825015911.db2.gz GEPBYEQPWBVAAT-GFCCVEGCSA-N 1 3 279.344 -0.864 20 0 CBADHO O=C(N[C@@H]1CC12CCOCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220329356 825016706 /nfs/dbraw/zinc/01/67/06/825016706.db2.gz NHGSLONAQRIIJR-LALPHHSUSA-N 1 3 279.384 -0.129 20 0 CBADHO CCOC(=O)C1(CNC(=O)[C@H]2C[NH2+]CC23CNC3)CCC1 ZINC001220370763 825021800 /nfs/dbraw/zinc/02/18/00/825021800.db2.gz CCVZUSFSEYCAEF-LLVKDONJSA-N 1 3 295.383 -0.355 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cnccn1 ZINC001220368887 825021965 /nfs/dbraw/zinc/02/19/65/825021965.db2.gz OPOQFTRAYUPVDB-ZJUUUORDSA-N 1 3 261.329 -0.537 20 0 CBADHO O=C(NCc1ccc(Cl)nn1)[C@H]1C[NH2+]CC12CNC2 ZINC001220368670 825021973 /nfs/dbraw/zinc/02/19/73/825021973.db2.gz JYWKYELMVRCKOL-SECBINFHSA-N 1 3 281.747 -0.445 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CCC2 ZINC001220377458 825024968 /nfs/dbraw/zinc/02/49/68/825024968.db2.gz YSDCZYNRRIAQOS-RYUDHWBXSA-N 1 3 276.340 -0.458 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394261 825028378 /nfs/dbraw/zinc/02/83/78/825028378.db2.gz BMRDTLVNCSKHCM-LBPRGKRZSA-N 1 3 277.372 -0.118 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220406758 825033525 /nfs/dbraw/zinc/03/35/25/825033525.db2.gz WOKHWNFMYYQKJI-BBBLOLIVSA-N 1 3 289.401 -0.537 20 0 CBADHO CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220418898 825034765 /nfs/dbraw/zinc/03/47/65/825034765.db2.gz UVNNJSLNUKCHHJ-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220418941 825035364 /nfs/dbraw/zinc/03/53/64/825035364.db2.gz WCYRZMCBNUVVCQ-QWRGUYRKSA-N 1 3 272.393 -0.267 20 0 CBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CC(F)F)O1 ZINC001220481705 825048947 /nfs/dbraw/zinc/04/89/47/825048947.db2.gz NSMQZEFSLWKGGT-HAYRHPOISA-N 1 3 295.330 -0.190 20 0 CBADHO COC(C)(CNC(=O)[C@H](N)C1CC[NH2+]CC1)OC ZINC001220508879 825052120 /nfs/dbraw/zinc/05/21/20/825052120.db2.gz BLKPXKLNCWTNDV-SNVBAGLBSA-N 1 3 259.350 -0.562 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCCOCCOCC[NH3+] ZINC001220519491 825054752 /nfs/dbraw/zinc/05/47/52/825054752.db2.gz QCRZRAWHOSJBSI-QMMMGPOBSA-N 1 3 269.292 -0.923 20 0 CBADHO O=C(NCc1nccc(Cl)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001220529842 825058826 /nfs/dbraw/zinc/05/88/26/825058826.db2.gz JIUWTCLLXFHAIA-MRVPVSSYSA-N 1 3 281.747 -0.445 20 0 CBADHO C[C@H]1COCC[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220565911 825063283 /nfs/dbraw/zinc/06/32/83/825063283.db2.gz UXAFDLAYLDPAIX-GUBZILKMSA-N 1 3 261.391 -0.453 20 0 CBADHO C[C@@H]1COCC[C@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220566120 825063789 /nfs/dbraw/zinc/06/37/89/825063789.db2.gz ZSTBJXRFJWYEMB-YUSALJHKSA-N 1 3 255.362 -0.146 20 0 CBADHO C[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220566118 825063839 /nfs/dbraw/zinc/06/38/39/825063839.db2.gz ZSTBJXRFJWYEMB-JLLWLGSASA-N 1 3 255.362 -0.146 20 0 CBADHO CC(C)(O)CCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220573627 825068492 /nfs/dbraw/zinc/06/84/92/825068492.db2.gz QLMNKRDPPIVVAK-LLVKDONJSA-N 1 3 257.378 -0.019 20 0 CBADHO CC(C)(O)CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220573628 825068984 /nfs/dbraw/zinc/06/89/84/825068984.db2.gz QLMNKRDPPIVVAK-NSHDSACASA-N 1 3 257.378 -0.019 20 0 CBADHO N[C@@H](C(=O)N[C@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620180 825077019 /nfs/dbraw/zinc/07/70/19/825077019.db2.gz QEEWFQAWJTYCAA-CHWSQXEVSA-N 1 3 288.351 -0.128 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220619472 825077735 /nfs/dbraw/zinc/07/77/35/825077735.db2.gz IFBGSSZZXIHODY-MNOVXSKESA-N 1 3 262.313 -0.389 20 0 CBADHO O=C(N[C@H]1NC(=O)c2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220620355 825078684 /nfs/dbraw/zinc/07/86/84/825078684.db2.gz SHASYRIAFPYWPL-NWDGAFQWSA-N 1 3 286.335 -0.646 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680655 825085062 /nfs/dbraw/zinc/08/50/62/825085062.db2.gz LWLPEXGPFIEARG-RKUXUEPDSA-N 1 3 287.429 -0.128 20 0 CBADHO O=C(NCC1Oc2ccccc2O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220708920 825089297 /nfs/dbraw/zinc/08/92/97/825089297.db2.gz LSHLZOKJENGQEM-JTQLQIEISA-N 1 3 289.335 -0.291 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220709498 825092303 /nfs/dbraw/zinc/09/23/03/825092303.db2.gz ZJBJNFNVBLJMKV-VIFPVBQESA-N 1 3 258.366 -0.526 20 0 CBADHO NC(=O)c1ccccc1OCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220718688 825094494 /nfs/dbraw/zinc/09/44/94/825094494.db2.gz GGIXMBFNHNGNLB-NSHDSACASA-N 1 3 294.355 -0.653 20 0 CBADHO COCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755469 825096132 /nfs/dbraw/zinc/09/61/32/825096132.db2.gz PLLRWOZFMDGIRP-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755469 825096138 /nfs/dbraw/zinc/09/61/38/825096138.db2.gz PLLRWOZFMDGIRP-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO O=C(NCCC1CCC(O)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220756691 825097074 /nfs/dbraw/zinc/09/70/74/825097074.db2.gz HTSAGZGFSCCSTO-WXRRBKDZSA-N 1 3 281.400 -0.147 20 0 CBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220766055 825098529 /nfs/dbraw/zinc/09/85/29/825098529.db2.gz KXSPAIJMKFHESB-ZHSDAYTOSA-N 1 3 267.373 -0.539 20 0 CBADHO CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764472 825099360 /nfs/dbraw/zinc/09/93/60/825099360.db2.gz MEDIFWKQYCBFDC-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220766052 825099573 /nfs/dbraw/zinc/09/95/73/825099573.db2.gz KXSPAIJMKFHESB-FBKDDSFISA-N 1 3 267.373 -0.539 20 0 CBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1O ZINC001220764768 825100253 /nfs/dbraw/zinc/10/02/53/825100253.db2.gz VZPMWXCYHPLYIF-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3COC4(CNC4)CN3)(C1)CCC2 ZINC001220777009 825100910 /nfs/dbraw/zinc/10/09/10/825100910.db2.gz CBCFZSLUSZFRHW-FPMFFAJLSA-N 1 3 294.399 -0.763 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775202 825101640 /nfs/dbraw/zinc/10/16/40/825101640.db2.gz MMLISWHNCKFRHT-HONMWMINSA-N 1 3 297.403 -0.318 20 0 CBADHO NC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788995 825102712 /nfs/dbraw/zinc/10/27/12/825102712.db2.gz IAUOBLUFVLUBCF-WOPDTQHZSA-N 1 3 263.345 -0.866 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220848737 825110926 /nfs/dbraw/zinc/11/09/26/825110926.db2.gz HDNIGPCXUXZMJF-IUCAKERBSA-N 1 3 277.390 -0.679 20 0 CBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220857793 825113950 /nfs/dbraw/zinc/11/39/50/825113950.db2.gz RYMYIXJRRSNEHN-UWVGGRQHSA-N 1 3 253.350 -0.231 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220865552 825115223 /nfs/dbraw/zinc/11/52/23/825115223.db2.gz AXLPPHZPWABSQF-GWCFXTLKSA-N 1 3 274.324 -0.056 20 0 CBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865647 825115478 /nfs/dbraw/zinc/11/54/78/825115478.db2.gz GERPVBHFNXDETR-RYUDHWBXSA-N 1 3 273.340 -0.232 20 0 CBADHO COC(=O)[C@H]1C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220881574 825118772 /nfs/dbraw/zinc/11/87/72/825118772.db2.gz NBJRMSCMKSBTJO-BBGACYKPSA-N 1 3 281.356 -0.889 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220881577 825118910 /nfs/dbraw/zinc/11/89/10/825118910.db2.gz NBJRMSCMKSBTJO-ZHSDAYTOSA-N 1 3 281.356 -0.889 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CNCc2ccnn2C1 ZINC001220882606 825120342 /nfs/dbraw/zinc/12/03/42/825120342.db2.gz XFJAEKACNXZSPP-QWRGUYRKSA-N 1 3 263.345 -0.529 20 0 CBADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001220907362 825122305 /nfs/dbraw/zinc/12/23/05/825122305.db2.gz OGVSJDZMKSLFAB-UWVGGRQHSA-N 1 3 256.350 -0.820 20 0 CBADHO CCC(=O)N1CC[C@H](NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001220907363 825122710 /nfs/dbraw/zinc/12/27/10/825122710.db2.gz OGVSJDZMKSLFAB-VHSXEESVSA-N 1 3 256.350 -0.820 20 0 CBADHO NC1(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001220929499 825124678 /nfs/dbraw/zinc/12/46/78/825124678.db2.gz ANPDBWISCGKLTD-MGCOHNPYSA-N 1 3 253.346 -0.025 20 0 CBADHO Cc1noc(C2(NC(=O)[C@@H](N)CCC[NH3+])CC2)n1 ZINC001220932051 825126006 /nfs/dbraw/zinc/12/60/06/825126006.db2.gz GDJWXWUITQPZJV-QMMMGPOBSA-N 1 3 253.306 -0.450 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936671 825126035 /nfs/dbraw/zinc/12/60/35/825126035.db2.gz IACXVHZUXLSOHY-NEPJUHHUSA-N 1 3 255.362 -0.001 20 0 CBADHO N[C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CCC(O)CC1 ZINC001220937659 825126776 /nfs/dbraw/zinc/12/67/76/825126776.db2.gz WZFDAKVIDVSKPS-TYUFSLCMSA-N 1 3 285.388 -0.641 20 0 CBADHO O=C(N[C@H]1CCCc2nccnc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220948919 825126893 /nfs/dbraw/zinc/12/68/93/825126893.db2.gz KGXGELIQCNDGEP-JQWIXIFHSA-N 1 3 287.367 -0.221 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976412 825132156 /nfs/dbraw/zinc/13/21/56/825132156.db2.gz YKMQYQIVTPOCQV-XQQFMLRXSA-N 1 3 285.388 -0.864 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976412 825132163 /nfs/dbraw/zinc/13/21/63/825132163.db2.gz YKMQYQIVTPOCQV-XQQFMLRXSA-N 1 3 285.388 -0.864 20 0 CBADHO Cc1nnc(CNC(=O)[C@@H](N)CSCC[NH3+])o1 ZINC001221010520 825135944 /nfs/dbraw/zinc/13/59/44/825135944.db2.gz JNGNCTVJLAHDQS-ZETCQYMHSA-N 1 3 259.335 -0.987 20 0 CBADHO COC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC1 ZINC001221013079 825137310 /nfs/dbraw/zinc/13/73/10/825137310.db2.gz JJVKXZKQUFBOEF-MBNYWOFBSA-N 1 3 267.373 -0.273 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023903 825138464 /nfs/dbraw/zinc/13/84/64/825138464.db2.gz UWYJGZYEOUKEDC-LBPRGKRZSA-N 1 3 265.361 -0.025 20 0 CBADHO Cc1nccnc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221103763 825143047 /nfs/dbraw/zinc/14/30/47/825143047.db2.gz QHVAXKAKLCDXSE-LBPRGKRZSA-N 1 3 263.345 -0.272 20 0 CBADHO CCn1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc1=O ZINC001221176502 825150708 /nfs/dbraw/zinc/15/07/08/825150708.db2.gz BCBZVEGSFGKUNA-NSHDSACASA-N 1 3 276.340 -0.384 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCc1ccc(CO)cc1 ZINC001221190544 825151662 /nfs/dbraw/zinc/15/16/62/825151662.db2.gz RGBLMTFHEGRJQE-ZDUSSCGKSA-N 1 3 265.357 -0.096 20 0 CBADHO CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(N)=O ZINC001221234120 825157360 /nfs/dbraw/zinc/15/73/60/825157360.db2.gz DASOXVZYIKYDCR-UHIISALHSA-N 1 3 282.388 -0.654 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001221241083 825157740 /nfs/dbraw/zinc/15/77/40/825157740.db2.gz NIOATFLQSLAXKD-KWCYVHTRSA-N 1 3 266.389 -0.462 20 0 CBADHO N[C@@H](C(=O)N[C@@H]1CCOC[C@@H]1F)C1CC[NH2+]CC1 ZINC001221244423 825160345 /nfs/dbraw/zinc/16/03/45/825160345.db2.gz ZNZJCHZRLDLRFO-HBNTYKKESA-N 1 3 259.325 -0.444 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221243512 825160586 /nfs/dbraw/zinc/16/05/86/825160586.db2.gz JUHSPHRUMHNWGI-STQMWFEESA-N 1 3 254.378 -0.332 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250618 825161730 /nfs/dbraw/zinc/16/17/30/825161730.db2.gz RHIFLZWYAYDOMX-DZGCQCFKSA-N 1 3 280.416 -0.072 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@@H](N)CCCC[NH3+])OCC ZINC001221262694 825163406 /nfs/dbraw/zinc/16/34/06/825163406.db2.gz NADCTAIAXLKJGN-RGAIUGGKSA-N 1 3 287.360 0.000 20 0 CBADHO CC[C@H](C)[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)N(C)C ZINC001221277939 825164969 /nfs/dbraw/zinc/16/49/69/825164969.db2.gz BSSZKSSMEDAMGB-DRZSPHRISA-N 1 3 298.431 -0.068 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221310002 825169624 /nfs/dbraw/zinc/16/96/24/825169624.db2.gz ZYSCEHBPODGDJC-MNOVXSKESA-N 1 3 276.340 -0.095 20 0 CBADHO O=C(NC1=CC(=O)NCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221316142 825169781 /nfs/dbraw/zinc/16/97/81/825169781.db2.gz GXEIJBNKUWJXEC-NSHDSACASA-N 1 3 278.356 -0.619 20 0 CBADHO O=C(NC1=CC(=O)NCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221316142 825169785 /nfs/dbraw/zinc/16/97/85/825169785.db2.gz GXEIJBNKUWJXEC-NSHDSACASA-N 1 3 278.356 -0.619 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC001221309059 825170079 /nfs/dbraw/zinc/17/00/79/825170079.db2.gz GEWTYTPMMIUAMI-VIFPVBQESA-N 1 3 284.385 -0.340 20 0 CBADHO COc1cnccc1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221337057 825173139 /nfs/dbraw/zinc/17/31/39/825173139.db2.gz OQPCXZCOJNQEGI-LBPRGKRZSA-N 1 3 290.367 -0.442 20 0 CBADHO COC1CC(CNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001221366624 825176384 /nfs/dbraw/zinc/17/63/84/825176384.db2.gz JIWLJNWAHHHLKD-QEWOUOOISA-N 1 3 255.362 -0.146 20 0 CBADHO CC[C@@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221377034 825178710 /nfs/dbraw/zinc/17/87/10/825178710.db2.gz PPSOIJJIVCSRCQ-WDEREUQCSA-N 1 3 255.362 -0.252 20 0 CBADHO CC[C@@H](CO)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221377034 825178712 /nfs/dbraw/zinc/17/87/12/825178712.db2.gz PPSOIJJIVCSRCQ-WDEREUQCSA-N 1 3 255.362 -0.252 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)NC1 ZINC001221392842 825179866 /nfs/dbraw/zinc/17/98/66/825179866.db2.gz OAGMXNRIRDAQIH-OCCSQVGLSA-N 1 3 292.383 -0.865 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221399566 825182290 /nfs/dbraw/zinc/18/22/90/825182290.db2.gz RFBMZXPAYGQFSO-BFHYXJOUSA-N 1 3 275.352 -0.603 20 0 CBADHO N[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C1 ZINC001221400118 825182358 /nfs/dbraw/zinc/18/23/58/825182358.db2.gz YRFOLPUZVCRLOW-DZGCQCFKSA-N 1 3 274.368 -0.492 20 0 CBADHO CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221400148 825182400 /nfs/dbraw/zinc/18/24/00/825182400.db2.gz ZUHYDRYWJQEKNO-GJZGRUSLSA-N 1 3 288.395 -0.279 20 0 CBADHO C[C@@]1(NC(=O)[C@@H](N)CSCC[NH3+])CCCOC1 ZINC001221402707 825183233 /nfs/dbraw/zinc/18/32/33/825183233.db2.gz LCAJQZYKZREBCB-GXSJLCMTSA-N 1 3 261.391 -0.309 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1[NH2+]CC[C@H]1O ZINC001221399537 825183328 /nfs/dbraw/zinc/18/33/28/825183328.db2.gz QJIQYBYQPAVJIK-MJBXVCDLSA-N 1 3 275.352 -0.460 20 0 CBADHO CN1CCC(CO)(NC(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001221403797 825183881 /nfs/dbraw/zinc/18/38/81/825183881.db2.gz XPUQJAIREFPZQD-UHFFFAOYSA-N 1 3 267.373 -0.441 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221409059 825186002 /nfs/dbraw/zinc/18/60/02/825186002.db2.gz MBWDKWAGOMYOHB-CRTZDJKQSA-N 1 3 287.429 -0.413 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411378 825186855 /nfs/dbraw/zinc/18/68/55/825186855.db2.gz VZVFRYWWJFQCET-KBPBESRZSA-N 1 3 291.399 -0.206 20 0 CBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791690 825194153 /nfs/dbraw/zinc/19/41/53/825194153.db2.gz YBLUMUDGGSZGOH-MGPQQGTHSA-N 1 3 299.415 -0.522 20 0 CBADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791413 825194358 /nfs/dbraw/zinc/19/43/58/825194358.db2.gz KALAKEWEKQPGKW-JHJVBQTASA-N 1 3 269.389 -0.148 20 0 CBADHO CC1(C)[NH2+]C[C@@H](CN2CCOC[C@]3(CNCCO3)C2)O1 ZINC001222186234 825203764 /nfs/dbraw/zinc/20/37/64/825203764.db2.gz AYXMVOBFGQYILI-JSGCOSHPSA-N 1 3 285.388 -0.598 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001222416006 825210709 /nfs/dbraw/zinc/21/07/09/825210709.db2.gz YMAVTOQAJFQAGR-UWVGGRQHSA-N 1 3 257.334 -0.842 20 0 CBADHO C([C@H]1COCCN1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492393 825211872 /nfs/dbraw/zinc/21/18/72/825211872.db2.gz WLWJDVAMKFJVTJ-AVGNSLFASA-N 1 3 254.378 -0.999 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001228261423 825313828 /nfs/dbraw/zinc/31/38/28/825313828.db2.gz KUYLSMCZNIWXOZ-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCO)CC2 ZINC001235487591 825498613 /nfs/dbraw/zinc/49/86/13/825498613.db2.gz HRCAIIILFRARKZ-UHFFFAOYSA-N 1 3 279.384 -0.197 20 0 CBADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCO)CC2 ZINC001235487591 825498620 /nfs/dbraw/zinc/49/86/20/825498620.db2.gz HRCAIIILFRARKZ-UHFFFAOYSA-N 1 3 279.384 -0.197 20 0 CBADHO CNC(=O)[C@@]12CCO[C@@H]1CCN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235521979 825501319 /nfs/dbraw/zinc/50/13/19/825501319.db2.gz XWEOOWIHWHMABG-YWPYICTPSA-N 1 3 297.399 -0.062 20 0 CBADHO NCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235576668 825504127 /nfs/dbraw/zinc/50/41/27/825504127.db2.gz ZOKHOWBGDQODJD-GMXVVIOVSA-N 1 3 294.355 -0.300 20 0 CBADHO NCC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235576668 825504131 /nfs/dbraw/zinc/50/41/31/825504131.db2.gz ZOKHOWBGDQODJD-GMXVVIOVSA-N 1 3 294.355 -0.300 20 0 CBADHO C[C@H]([NH3+])CN1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001235597176 825506343 /nfs/dbraw/zinc/50/63/43/825506343.db2.gz OITMWTHLHNVXPG-NSHDSACASA-N 1 3 279.388 -0.142 20 0 CBADHO [NH3+]CCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001235890200 825518334 /nfs/dbraw/zinc/51/83/34/825518334.db2.gz CKYVDDBTGVILSX-UHFFFAOYSA-N 1 3 289.445 -0.080 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1nc2c(s1)CNCC2 ZINC001236200115 825524681 /nfs/dbraw/zinc/52/46/81/825524681.db2.gz HZYIUSSSMGIXCT-WPRPVWTQSA-N 1 3 296.396 -0.137 20 0 CBADHO COC(=O)CNC(=O)[C@@H]1CCCN1CCCC[NH3+] ZINC001236267062 825526063 /nfs/dbraw/zinc/52/60/63/825526063.db2.gz XDIBOOCWPZDHHF-JTQLQIEISA-N 1 3 257.334 -0.521 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-]c1cnn(C2C[NH2+]C2)c1 ZINC001237518086 825537512 /nfs/dbraw/zinc/53/75/12/825537512.db2.gz CFQJPUACUYQJTJ-UHFFFAOYSA-N 1 3 299.400 -0.231 20 0 CBADHO NCCS(=O)(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001238276724 825550987 /nfs/dbraw/zinc/55/09/87/825550987.db2.gz MWQMRBPOQDMYJE-LLVKDONJSA-N 1 3 286.401 -0.524 20 0 CBADHO [NH3+]CCS(=O)(=O)NCCNCc1ccccc1 ZINC001238369147 825552778 /nfs/dbraw/zinc/55/27/78/825552778.db2.gz XIJLXFIXOWDWDL-UHFFFAOYSA-N 1 3 257.359 -0.346 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CSCCN1 ZINC001238753811 825563473 /nfs/dbraw/zinc/56/34/73/825563473.db2.gz YXNMXVDULXXFRS-NSHDSACASA-N 1 3 293.458 -0.390 20 0 CBADHO COCCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CCN ZINC001239091140 825587013 /nfs/dbraw/zinc/58/70/13/825587013.db2.gz NWCKBKQWGQEEFY-LLVKDONJSA-N 1 3 279.406 -0.635 20 0 CBADHO NCCS(=O)(=O)N(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001239144539 825594914 /nfs/dbraw/zinc/59/49/14/825594914.db2.gz SLCPVIRJSAJLAI-GFCCVEGCSA-N 1 3 284.385 -0.466 20 0 CBADHO NCCS(=O)(=O)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001239163153 825595794 /nfs/dbraw/zinc/59/57/94/825595794.db2.gz QGACZRDDHNTRDC-SNVBAGLBSA-N 1 3 261.391 -0.261 20 0 CBADHO COCCNC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218082 825596676 /nfs/dbraw/zinc/59/66/76/825596676.db2.gz WHXJZRXICZDSKR-LLVKDONJSA-N 1 3 270.377 -0.194 20 0 CBADHO COC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214211 825596840 /nfs/dbraw/zinc/59/68/40/825596840.db2.gz GJYVCXXENIEMPL-QWRGUYRKSA-N 1 3 298.387 -0.279 20 0 CBADHO CCCCOC(=O)CNC(=O)NCCC[NH2+]CCCN ZINC001239253357 825597375 /nfs/dbraw/zinc/59/73/75/825597375.db2.gz ZHATZEGCBTWHCV-UHFFFAOYSA-N 1 3 288.392 -0.043 20 0 CBADHO OC[C@@H]1C[NH2+]C[C@@H]1NC(=S)NCCN1CCCCC1 ZINC001239378666 825601705 /nfs/dbraw/zinc/60/17/05/825601705.db2.gz SSMTWLLWFWWARU-RYUDHWBXSA-N 1 3 286.445 -0.483 20 0 CBADHO c1nc2c(c(-c3cnc(N4CC[NH2+]CC4)nc3)n1)CCNC2 ZINC001241895026 825609768 /nfs/dbraw/zinc/60/97/68/825609768.db2.gz RZONTXVHMAAEMX-UHFFFAOYSA-N 1 3 297.366 -0.011 20 0 CBADHO CCCCOC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245973270 825616825 /nfs/dbraw/zinc/61/68/25/825616825.db2.gz JTPWEBXTSMQDFQ-FRRDWIJNSA-N 1 3 278.368 -0.184 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@H](O)CN2CCOCC2)C1 ZINC001245992445 825619474 /nfs/dbraw/zinc/61/94/74/825619474.db2.gz LXLDDAYVHUWAIW-MJBXVCDLSA-N 1 3 271.405 -0.485 20 0 CBADHO OC1(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCOCC1 ZINC001246020534 825622605 /nfs/dbraw/zinc/62/26/05/825622605.db2.gz CNXSQODGBUHCJW-STQMWFEESA-N 1 3 269.389 -0.446 20 0 CBADHO CCCOC[C@@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246017400 825623157 /nfs/dbraw/zinc/62/31/57/825623157.db2.gz ASRQSIVUSLYFOD-STQMWFEESA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246017400 825623162 /nfs/dbraw/zinc/62/31/62/825623162.db2.gz ASRQSIVUSLYFOD-STQMWFEESA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246017400 825623167 /nfs/dbraw/zinc/62/31/67/825623167.db2.gz ASRQSIVUSLYFOD-STQMWFEESA-N 1 3 260.378 -0.050 20 0 CBADHO CCN1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1=O ZINC001246085479 825633963 /nfs/dbraw/zinc/63/39/63/825633963.db2.gz WZJMYPAWRSNCOV-NTZNESFSSA-N 1 3 273.352 -0.351 20 0 CBADHO COC(=O)CC[C@@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084979 825634010 /nfs/dbraw/zinc/63/40/10/825634010.db2.gz VBFDLSWRLCWDHS-JFGNBEQYSA-N 1 3 262.325 -0.020 20 0 CBADHO O[C@@]1(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CCNC[C@@H]1F ZINC001246088030 825635304 /nfs/dbraw/zinc/63/53/04/825635304.db2.gz HPWYDNSWLXEJGK-MROQNXINSA-N 1 3 298.366 -0.191 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CN1 ZINC001246144089 825640655 /nfs/dbraw/zinc/64/06/55/825640655.db2.gz BFSIFGPXVONBRR-LVEVGFFFSA-N 1 3 253.346 -0.523 20 0 CBADHO COC(=O)[C@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145304 825641488 /nfs/dbraw/zinc/64/14/88/825641488.db2.gz MEDWIQIJWSWXFW-FRRDWIJNSA-N 1 3 296.415 -0.646 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246150900 825642672 /nfs/dbraw/zinc/64/26/72/825642672.db2.gz UQICIQLQPLQMNH-FHUSYTEZSA-N 1 3 283.372 -0.896 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246186426 825648177 /nfs/dbraw/zinc/64/81/77/825648177.db2.gz XJEIGEBYXKPDQQ-LBELIVKGSA-N 1 3 267.373 -0.132 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246186427 825648590 /nfs/dbraw/zinc/64/85/90/825648590.db2.gz XJEIGEBYXKPDQQ-SJHCENCUSA-N 1 3 267.373 -0.132 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NCCN2CC[NH+](C(C)C)CC2)CN1 ZINC001246236623 825654371 /nfs/dbraw/zinc/65/43/71/825654371.db2.gz NFSDBTGYFKRSNP-KBPBESRZSA-N 1 3 298.431 -0.495 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NCCN2CCC[N@H+](C)CC2)CN1 ZINC001246242495 825655708 /nfs/dbraw/zinc/65/57/08/825655708.db2.gz YCCYCBKIIUMWSA-OLZOCXBDSA-N 1 3 284.404 -0.883 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NCCN2CCC[N@@H+](C)CC2)CN1 ZINC001246242495 825655711 /nfs/dbraw/zinc/65/57/11/825655711.db2.gz YCCYCBKIIUMWSA-OLZOCXBDSA-N 1 3 284.404 -0.883 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255454 825656597 /nfs/dbraw/zinc/65/65/97/825656597.db2.gz KJPLNOGHJRCPIO-KZVDOYCCSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255456 825657125 /nfs/dbraw/zinc/65/71/25/825657125.db2.gz KJPLNOGHJRCPIO-OPDFLTKYSA-N 1 3 283.372 -0.609 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246405422 825671263 /nfs/dbraw/zinc/67/12/63/825671263.db2.gz OTYFAYPNTFSICX-WOPDTQHZSA-N 1 3 295.391 -0.271 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001246413122 825671743 /nfs/dbraw/zinc/67/17/43/825671743.db2.gz GFOZNKPIRHHYIE-JQWIXIFHSA-N 1 3 282.388 -0.288 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246413000 825671794 /nfs/dbraw/zinc/67/17/94/825671794.db2.gz DMEJFPQWRTTXTM-MXWKQRLJSA-N 1 3 271.361 -0.099 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246413123 825671811 /nfs/dbraw/zinc/67/18/11/825671811.db2.gz GFOZNKPIRHHYIE-PWSUYJOCSA-N 1 3 282.388 -0.288 20 0 CBADHO COC(=O)CC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246412311 825671984 /nfs/dbraw/zinc/67/19/84/825671984.db2.gz BACSOJQMFJDXEM-UWVGGRQHSA-N 1 3 259.350 -0.099 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC1CCS(=O)(=O)CC1 ZINC001246510022 825678928 /nfs/dbraw/zinc/67/89/28/825678928.db2.gz BJWYDQJFSIZDHN-NSHDSACASA-N 1 3 291.417 -0.603 20 0 CBADHO COC(=O)[C@]1(F)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246548563 825684815 /nfs/dbraw/zinc/68/48/15/825684815.db2.gz IZOCEUWXAORKHV-MFKMUULPSA-N 1 3 271.336 -0.333 20 0 CBADHO [NH3+]C[C@H]1CN([C@@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246578008 825689341 /nfs/dbraw/zinc/68/93/41/825689341.db2.gz DJGUMKBAACKLMI-MVWJERBFSA-N 1 3 253.346 -0.609 20 0 CBADHO COC(=O)C1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246579787 825691200 /nfs/dbraw/zinc/69/12/00/825691200.db2.gz GWODAWRIBKAYHL-POSLAHMBSA-N 1 3 256.346 -0.030 20 0 CBADHO COC(=O)C1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246579787 825691203 /nfs/dbraw/zinc/69/12/03/825691203.db2.gz GWODAWRIBKAYHL-POSLAHMBSA-N 1 3 256.346 -0.030 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1[C@@H]1CCCC[NH2+]C1 ZINC001246598833 825693932 /nfs/dbraw/zinc/69/39/32/825693932.db2.gz ORBLNFIUXKUMSK-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246599683 825694430 /nfs/dbraw/zinc/69/44/30/825694430.db2.gz DGTUOWMAKOPTCP-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246599681 825694535 /nfs/dbraw/zinc/69/45/35/825694535.db2.gz DGTUOWMAKOPTCP-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO COC1C[C@@H]2COC[C@H](C1)N2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246761064 825709053 /nfs/dbraw/zinc/70/90/53/825709053.db2.gz RXWBAZNJMBDILR-ICIURTGMSA-N 1 3 281.400 -0.041 20 0 CBADHO CC1(C)C(=O)NCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788760 825710882 /nfs/dbraw/zinc/71/08/82/825710882.db2.gz IZEYYVSQIWFGHI-SNVBAGLBSA-N 1 3 252.362 -0.709 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CN1 ZINC001246840608 825720317 /nfs/dbraw/zinc/72/03/17/825720317.db2.gz IYRXSVFOBCDZMF-XQHKEYJVSA-N 1 3 267.373 -0.227 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CN1 ZINC001246840608 825720320 /nfs/dbraw/zinc/72/03/20/825720320.db2.gz IYRXSVFOBCDZMF-XQHKEYJVSA-N 1 3 267.373 -0.227 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@]3(N)C2)CN1 ZINC001246855942 825722066 /nfs/dbraw/zinc/72/20/66/825722066.db2.gz WEUDLJDDRIGEGW-MPPDQPJWSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@]3(N)C2)CN1 ZINC001246855942 825722069 /nfs/dbraw/zinc/72/20/69/825722069.db2.gz WEUDLJDDRIGEGW-MPPDQPJWSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246856576 825722405 /nfs/dbraw/zinc/72/24/05/825722405.db2.gz CSOFLLFUNADAQM-USZNOCQGSA-N 1 3 253.346 -0.569 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@]3(N)C2)CN1 ZINC001246855940 825722778 /nfs/dbraw/zinc/72/27/78/825722778.db2.gz WEUDLJDDRIGEGW-BLFANLJRSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@]3(N)C2)CN1 ZINC001246855940 825722781 /nfs/dbraw/zinc/72/27/81/825722781.db2.gz WEUDLJDDRIGEGW-BLFANLJRSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246868404 825725215 /nfs/dbraw/zinc/72/52/15/825725215.db2.gz SPZDUXVYEDAPQA-MBYGNEARSA-N 1 3 251.330 -0.508 20 0 CBADHO COC[C@@H]1COCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914469 825731168 /nfs/dbraw/zinc/73/11/68/825731168.db2.gz LIPHPUPCGDDOSB-VXGBXAGGSA-N 1 3 255.362 -0.572 20 0 CBADHO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)N1 ZINC001246924834 825732770 /nfs/dbraw/zinc/73/27/70/825732770.db2.gz TZGUHGANSIPTJE-BVUQATHDSA-N 1 3 278.356 -0.057 20 0 CBADHO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)N1 ZINC001246924834 825732776 /nfs/dbraw/zinc/73/27/76/825732776.db2.gz TZGUHGANSIPTJE-BVUQATHDSA-N 1 3 278.356 -0.057 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CN1 ZINC001246978198 825737368 /nfs/dbraw/zinc/73/73/68/825737368.db2.gz VCQNZQYKMCBJDI-HGCLJGPKSA-N 1 3 253.346 -0.441 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CN1 ZINC001246978201 825737817 /nfs/dbraw/zinc/73/78/17/825737817.db2.gz VCQNZQYKMCBJDI-SVNGYHJRSA-N 1 3 253.346 -0.441 20 0 CBADHO FC(F)(F)[C@@H]1CNCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985731 825739995 /nfs/dbraw/zinc/73/99/95/825739995.db2.gz BVESJHVBAGNXOC-ZJUUUORDSA-N 1 3 278.322 -0.084 20 0 CBADHO O[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C1 ZINC001248738910 825746872 /nfs/dbraw/zinc/74/68/72/825746872.db2.gz APERQHGKALZNNK-CQSZACIVSA-N 1 3 287.323 -0.042 20 0 CBADHO C[NH+](C)CCNC(=S)NCCN1CCC[C@@H](O)C1 ZINC001249849653 825750850 /nfs/dbraw/zinc/75/08/50/825750850.db2.gz PFAIZQHOGKVLOB-LLVKDONJSA-N 1 3 274.434 -0.531 20 0 CBADHO CCOC[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252043778 825814052 /nfs/dbraw/zinc/81/40/52/825814052.db2.gz JRGFUODRZPUKBI-CQSZACIVSA-N 1 3 273.421 -0.001 20 0 CBADHO COC(=O)[C@H](O)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001252419961 825848449 /nfs/dbraw/zinc/84/84/49/825848449.db2.gz FVXKTQBWDGDCMU-CYBMUJFWSA-N 1 3 285.388 -0.768 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]CCN1CCOC1=O ZINC001253207460 825905003 /nfs/dbraw/zinc/90/50/03/825905003.db2.gz IFIJFZFMAQZIJX-LLVKDONJSA-N 1 3 259.350 -0.269 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]C[C@H]1CCCC(=O)N1 ZINC001253216214 825906834 /nfs/dbraw/zinc/90/68/34/825906834.db2.gz KRXQNIDZFIIILI-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001253210840 825907434 /nfs/dbraw/zinc/90/74/34/825907434.db2.gz PDNVBJYVVOOMIG-QWHCGFSZSA-N 1 3 257.378 -0.101 20 0 CBADHO COC(=O)c1cn(CCCC[NH2+]CCCN)nn1 ZINC001254162917 825946907 /nfs/dbraw/zinc/94/69/07/825946907.db2.gz JPOJAOVWNVPBME-UHFFFAOYSA-N 1 3 255.322 -0.217 20 0 CBADHO CC(=O)N1CCC(N2CCN(CCC[NH3+])CC2)CC1 ZINC001254418199 825962033 /nfs/dbraw/zinc/96/20/33/825962033.db2.gz RPAONIMECFIOCJ-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO COC(=O)CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255670531 825992524 /nfs/dbraw/zinc/99/25/24/825992524.db2.gz UEHRVQJUPIFIOM-YOGCLGLASA-N 1 3 283.372 -0.120 20 0 CBADHO C[C@@H](CC(=O)N1CCOCC1)N1CCN(CCC[NH3+])CC1 ZINC001256326784 826011336 /nfs/dbraw/zinc/01/13/36/826011336.db2.gz SZABEGXCWCWYBN-AWEZNQCLSA-N 1 3 298.431 -0.410 20 0 CBADHO [NH3+]CC1(NC2CCC(N3CCOCC3)CC2)COC1 ZINC001256679948 826030651 /nfs/dbraw/zinc/03/06/51/826030651.db2.gz WLFAJYUHHOMLLA-UHFFFAOYSA-N 1 3 269.389 -0.053 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@H](C)CN ZINC001257925011 826054110 /nfs/dbraw/zinc/05/41/10/826054110.db2.gz GEEOOPRFEOWGCH-MNOVXSKESA-N 1 3 294.417 -0.073 20 0 CBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@H](C)C[NH3+] ZINC001257925011 826054118 /nfs/dbraw/zinc/05/41/18/826054118.db2.gz GEEOOPRFEOWGCH-MNOVXSKESA-N 1 3 294.417 -0.073 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CC1 ZINC001261101901 826485315 /nfs/dbraw/zinc/48/53/15/826485315.db2.gz DURSOJRAVYXTRA-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC001261383556 826508849 /nfs/dbraw/zinc/50/88/49/826508849.db2.gz OXSABSUCIDXFTJ-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO [NH3+]CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261632064 826548692 /nfs/dbraw/zinc/54/86/92/826548692.db2.gz OFVKIRJMHGDNDF-LLVKDONJSA-N 1 3 256.350 -0.502 20 0 CBADHO Cc1noc([C@@H]2OCC[C@@H]2NCCOCC[NH3+])n1 ZINC001261836543 826595023 /nfs/dbraw/zinc/59/50/23/826595023.db2.gz GCZGSQWKSNZDFV-VHSXEESVSA-N 1 3 256.306 -0.227 20 0 CBADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1COCCN1C ZINC001261836496 826595170 /nfs/dbraw/zinc/59/51/70/826595170.db2.gz DQIPFXJZPORULZ-CYDGBPFRSA-N 1 3 257.378 -0.341 20 0 CBADHO COCC[NH2+]CCc1cn(C[C@@H]2CNCCO2)nn1 ZINC001261847107 826596873 /nfs/dbraw/zinc/59/68/73/826596873.db2.gz JHXJXRBUHKFEEG-LBPRGKRZSA-N 1 3 269.349 -0.955 20 0 CBADHO COCC[NH2+]CCc1cn(C[C@H]2CNCCO2)nn1 ZINC001261847106 826597886 /nfs/dbraw/zinc/59/78/86/826597886.db2.gz JHXJXRBUHKFEEG-GFCCVEGCSA-N 1 3 269.349 -0.955 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001262035420 826626722 /nfs/dbraw/zinc/62/67/22/826626722.db2.gz JHNGGHXFNSAFSU-NSHDSACASA-N 1 3 267.333 -0.280 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001262065082 826630116 /nfs/dbraw/zinc/63/01/16/826630116.db2.gz QYSXCLXQPKCAJU-MGCOHNPYSA-N 1 3 268.361 -0.950 20 0 CBADHO Cc1c(CN)c(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)nn1C ZINC001263153852 826744958 /nfs/dbraw/zinc/74/49/58/826744958.db2.gz ZITXYFXANDMRLU-DVVUODLYSA-N 1 3 263.345 -0.019 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001263156163 826745551 /nfs/dbraw/zinc/74/55/51/826745551.db2.gz OBUATKDOHNDHHO-OPRDCNLKSA-N 1 3 253.346 -0.393 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216128 826754856 /nfs/dbraw/zinc/75/48/56/826754856.db2.gz AXFORMKPILZVSR-GXSJLCMTSA-N 1 3 263.345 -0.440 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001263213104 826754868 /nfs/dbraw/zinc/75/48/68/826754868.db2.gz MFOAHYIQNDJHDY-ONGXEEELSA-N 1 3 261.391 -0.621 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001265572197 826905413 /nfs/dbraw/zinc/90/54/13/826905413.db2.gz ACNDFEFXFGPUIE-AOOOYVTPSA-N 1 3 256.350 -0.951 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)N(C)C ZINC001266725625 827059260 /nfs/dbraw/zinc/05/92/60/827059260.db2.gz NOOKHXMVPGQULS-TUAOUCFPSA-N 1 3 257.378 -0.198 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCO)C1 ZINC001266810644 827071269 /nfs/dbraw/zinc/07/12/69/827071269.db2.gz CZXZXONDYHPXRV-LLVKDONJSA-N 1 3 266.345 -0.227 20 0 CBADHO CN(CC[NH2+]CCn1cccn1)C(=O)Cc1c[nH]cn1 ZINC001266847118 827074175 /nfs/dbraw/zinc/07/41/75/827074175.db2.gz VGXZYSXPLKJTJF-UHFFFAOYSA-N 1 3 276.344 -0.103 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CCCCN1CCO ZINC001266853813 827075859 /nfs/dbraw/zinc/07/58/59/827075859.db2.gz UJTCURXVYUIZSF-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456103 827173609 /nfs/dbraw/zinc/17/36/09/827173609.db2.gz LNWGSVACFWXJGM-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456103 827173613 /nfs/dbraw/zinc/17/36/13/827173613.db2.gz LNWGSVACFWXJGM-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267459688 827173823 /nfs/dbraw/zinc/17/38/23/827173823.db2.gz YSCMIOPNCWJVFP-LBPRGKRZSA-N 1 3 272.393 -0.633 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267459687 827173911 /nfs/dbraw/zinc/17/39/11/827173911.db2.gz YSCMIOPNCWJVFP-GFCCVEGCSA-N 1 3 272.393 -0.633 20 0 CBADHO CN(CCO)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001268242294 827267346 /nfs/dbraw/zinc/26/73/46/827267346.db2.gz JVRWXMVBKXHSHL-UHFFFAOYSA-N 1 3 269.389 -0.003 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCO)C1 ZINC001268250284 827272018 /nfs/dbraw/zinc/27/20/18/827272018.db2.gz AMKYENVZMWPCBQ-GFCCVEGCSA-N 1 3 257.378 -0.289 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCO)C1 ZINC001268250284 827272019 /nfs/dbraw/zinc/27/20/19/827272019.db2.gz AMKYENVZMWPCBQ-GFCCVEGCSA-N 1 3 257.378 -0.289 20 0 CBADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001268368340 827316975 /nfs/dbraw/zinc/31/69/75/827316975.db2.gz GTVXQGVZGYATTQ-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497225 827342421 /nfs/dbraw/zinc/34/24/21/827342421.db2.gz HMVKGYDTYGTXSZ-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268497225 827342430 /nfs/dbraw/zinc/34/24/30/827342430.db2.gz HMVKGYDTYGTXSZ-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CCO)N(C)C ZINC001268551348 827363580 /nfs/dbraw/zinc/36/35/80/827363580.db2.gz FPYGZRUEQYFVEJ-FJOGCWAESA-N 1 3 257.378 -0.173 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001268588411 827373844 /nfs/dbraw/zinc/37/38/44/827373844.db2.gz RILBCEDWKMMFFN-BYCRGOAPSA-N 1 3 296.371 -0.995 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001268588412 827374655 /nfs/dbraw/zinc/37/46/55/827374655.db2.gz RILBCEDWKMMFFN-DLRQAJBASA-N 1 3 296.371 -0.995 20 0 CBADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268689033 827403731 /nfs/dbraw/zinc/40/37/31/827403731.db2.gz NPPGRPFEKBGZGE-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001268847234 827429683 /nfs/dbraw/zinc/42/96/83/827429683.db2.gz FZWGCLAGFOEJNE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCO)CC1)N(C)C ZINC001269485087 827514374 /nfs/dbraw/zinc/51/43/74/827514374.db2.gz ZGHSFVMNPJFPFP-LLVKDONJSA-N 1 3 257.378 -0.197 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCO)N(C)C ZINC001270568966 827579376 /nfs/dbraw/zinc/57/93/76/827579376.db2.gz QGEYECCNQMPFMF-RYUDHWBXSA-N 1 3 259.394 -0.093 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001271183187 827675130 /nfs/dbraw/zinc/67/51/30/827675130.db2.gz XLACQCDHQHTLNH-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001271210612 827677074 /nfs/dbraw/zinc/67/70/74/827677074.db2.gz YSGRJXDUVSUWNK-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cn[nH]n3)C2)C1=O ZINC001272570506 827823173 /nfs/dbraw/zinc/82/31/73/827823173.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 1 3 292.387 -0.209 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(N)=O)N(C)C ZINC001272865716 827846720 /nfs/dbraw/zinc/84/67/20/827846720.db2.gz MZOCMHOQAVEGOS-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC)N(C)C ZINC001273123751 827866319 /nfs/dbraw/zinc/86/63/19/827866319.db2.gz YXULDDJXSUMWMT-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1CCCN1C ZINC001273298489 827887694 /nfs/dbraw/zinc/88/76/94/827887694.db2.gz QRYXFECXYXGWMP-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO COCCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273506284 827905189 /nfs/dbraw/zinc/90/51/89/827905189.db2.gz NGRFRMHEQNRWIJ-AWEZNQCLSA-N 1 3 285.388 -0.502 20 0 CBADHO COCCN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273506026 827905742 /nfs/dbraw/zinc/90/57/42/827905742.db2.gz KUPPLDWGEJPDML-HNNXBMFYSA-N 1 3 299.415 -0.255 20 0 CBADHO CN(C)CCN1C(=O)COCC12CN(CCC[NH+](C)C)C2 ZINC001273711839 827921468 /nfs/dbraw/zinc/92/14/68/827921468.db2.gz KRSGWXFTSVNGSI-UHFFFAOYSA-N 1 3 298.431 -0.587 20 0 CBADHO C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047653 827955994 /nfs/dbraw/zinc/95/59/94/827955994.db2.gz SBIOOAFNASIYJC-JSGCOSHPSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047653 827955996 /nfs/dbraw/zinc/95/59/96/827955996.db2.gz SBIOOAFNASIYJC-JSGCOSHPSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H](C)O)N(C)C ZINC001274512526 827996642 /nfs/dbraw/zinc/99/66/42/827996642.db2.gz ZUTCERPDOVZASN-BYAJROORSA-N 1 3 257.378 -0.031 20 0 CBADHO COCC[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001274579481 828006380 /nfs/dbraw/zinc/00/63/80/828006380.db2.gz UTQNKBRRTIOARX-NSCUHMNNSA-N 1 3 255.362 -0.009 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001275203759 828067607 /nfs/dbraw/zinc/06/76/07/828067607.db2.gz XDSMRRZDIBHJEE-IVZWLZJFSA-N 1 3 258.366 -0.705 20 0 CBADHO C[C@@H](C[NH2+]CCn1cncn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275309655 828078184 /nfs/dbraw/zinc/07/81/84/828078184.db2.gz GUIHWJUTEDBHDP-OLZOCXBDSA-N 1 3 294.403 -0.286 20 0 CBADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001276076301 828133370 /nfs/dbraw/zinc/13/33/70/828133370.db2.gz NATFOGQUYKJRND-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](O)C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001276386860 828144312 /nfs/dbraw/zinc/14/43/12/828144312.db2.gz PWYKKWJIQJVRHM-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO C[NH+](C)CCN1CCO[C@H]2CN(CC3(C)COC3)C[C@@H]21 ZINC001276422749 828145583 /nfs/dbraw/zinc/14/55/83/828145583.db2.gz XXIBUHYZGWQSLS-KBPBESRZSA-N 1 3 283.416 -0.031 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001276689233 828155807 /nfs/dbraw/zinc/15/58/07/828155807.db2.gz BAFKADAIUIQKNK-FVCCEPFGSA-N 1 3 269.389 -0.387 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001276689233 828155811 /nfs/dbraw/zinc/15/58/11/828155811.db2.gz BAFKADAIUIQKNK-FVCCEPFGSA-N 1 3 269.389 -0.387 20 0 CBADHO C[NH+]1CCC(CN2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001277799025 828209436 /nfs/dbraw/zinc/20/94/36/828209436.db2.gz SVRAFUDTPJQTKV-WDEREUQCSA-N 1 3 266.345 -0.500 20 0 CBADHO C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277961035 828224136 /nfs/dbraw/zinc/22/41/36/828224136.db2.gz PZJDDUXAZNFNES-UPJWGTAASA-N 1 3 257.378 -0.686 20 0 CBADHO C[C@@H](O)CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277961033 828224157 /nfs/dbraw/zinc/22/41/57/828224157.db2.gz PZJDDUXAZNFNES-AGIUHOORSA-N 1 3 257.378 -0.686 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCO)N(C)C ZINC001277982933 828227106 /nfs/dbraw/zinc/22/71/06/828227106.db2.gz YVENQGGONAFRBI-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H](C(N)=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278032191 828232666 /nfs/dbraw/zinc/23/26/66/828232666.db2.gz JCVIKSKOGLDYQW-AGIUHOORSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)CN1CCCC1 ZINC001278423192 828269886 /nfs/dbraw/zinc/26/98/86/828269886.db2.gz IHFPULJVUJPKHF-KGLIPLIRSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCO ZINC001278520905 828272820 /nfs/dbraw/zinc/27/28/20/828272820.db2.gz KDHURKOMLAVZHO-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCO ZINC001278520906 828272892 /nfs/dbraw/zinc/27/28/92/828272892.db2.gz KDHURKOMLAVZHO-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001278804309 828291567 /nfs/dbraw/zinc/29/15/67/828291567.db2.gz PZCBNIMAYAXBNZ-RYUDHWBXSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152426479 884677110 /nfs/dbraw/zinc/67/71/10/884677110.db2.gz JKVUEXPCGZQBDO-NSHDSACASA-N 1 3 270.377 -0.689 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[NH2+]C2CC2)n1 ZINC001327578709 885413364 /nfs/dbraw/zinc/41/33/64/885413364.db2.gz LLUFFKDFZBXITR-UHFFFAOYSA-N 1 3 251.290 -0.991 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)CCC[NH3+])C2)nn1 ZINC001332275487 887180329 /nfs/dbraw/zinc/18/03/29/887180329.db2.gz CKCCSRLGWOLMBA-LLVKDONJSA-N 1 3 266.349 -0.361 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NCCCC[NH3+])C1 ZINC001335234495 888461112 /nfs/dbraw/zinc/46/11/12/888461112.db2.gz LIWYVJCPMATOJR-UHFFFAOYSA-N 1 3 284.404 -0.310 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C)CCN(C)CC1 ZINC001335243974 888463730 /nfs/dbraw/zinc/46/37/30/888463730.db2.gz NGSQJCSOPZJMOY-CQSZACIVSA-N 1 3 272.437 -0.522 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001335845876 888645585 /nfs/dbraw/zinc/64/55/85/888645585.db2.gz WVKRASBHBRNCRS-RWMBFGLXSA-N 1 3 266.389 -0.652 20 0 CBADHO O[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279045 888735168 /nfs/dbraw/zinc/73/51/68/888735168.db2.gz YXEIHHRUGXQMMY-RNJOBUHISA-N 1 3 256.346 -0.818 20 0 CBADHO CN(C)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)C1CC1 ZINC001336738940 888864587 /nfs/dbraw/zinc/86/45/87/888864587.db2.gz IXEKGUZXAVEUOD-LSDHHAIUSA-N 1 3 284.448 -0.476 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)NCCN1CCC(OC)CC1 ZINC001336976637 888941269 /nfs/dbraw/zinc/94/12/69/888941269.db2.gz BNUIGXYXJOVLQE-NSHDSACASA-N 1 3 259.350 -0.813 20 0 CBADHO COCCN1CCC(NC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001340056561 889376502 /nfs/dbraw/zinc/37/65/02/889376502.db2.gz MBYJXGYNOILHEI-UHFFFAOYSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340182708 889406089 /nfs/dbraw/zinc/40/60/89/889406089.db2.gz LCTAVSPMRJOGKC-JGVFFNPUSA-N 1 3 268.283 -0.714 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2COC3(CNC3)C2)C1 ZINC001340739484 889477471 /nfs/dbraw/zinc/47/74/71/889477471.db2.gz UFHZSTYYDOIXQR-DCJFZGGZSA-N 1 3 251.330 -0.639 20 0 CBADHO CC1CCN(CCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001340808267 889490091 /nfs/dbraw/zinc/49/00/91/889490091.db2.gz LWFDPSPKVGWRMQ-UHFFFAOYSA-N 1 3 269.389 -0.066 20 0 CBADHO CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340903838 889509065 /nfs/dbraw/zinc/50/90/65/889509065.db2.gz NPEXLWNPKREAIJ-WDEREUQCSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CC[NH2+]CC1CC1)N[C@H]1COC2(CNC2)C1 ZINC001341368797 889584585 /nfs/dbraw/zinc/58/45/85/889584585.db2.gz PVKRVCNFCFVSBK-LLVKDONJSA-N 1 3 253.346 -0.377 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC001341747369 889657764 /nfs/dbraw/zinc/65/77/64/889657764.db2.gz GOHYXWMUZZGHHK-IVZWLZJFSA-N 1 3 257.334 -0.524 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341907174 889680999 /nfs/dbraw/zinc/68/09/99/889680999.db2.gz PSRPTGWAAXSKCE-HBNTYKKESA-N 1 3 269.345 -0.665 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)C1 ZINC001342125173 889714224 /nfs/dbraw/zinc/71/42/24/889714224.db2.gz GZFUFZBJXJZETQ-MXWKQRLJSA-N 1 3 253.346 -0.249 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001342127155 889714258 /nfs/dbraw/zinc/71/42/58/889714258.db2.gz SWHUFUHVTJTLJV-WDEREUQCSA-N 1 3 253.346 -0.377 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001342564344 889793086 /nfs/dbraw/zinc/79/30/86/889793086.db2.gz IYVITGKJLVUWAQ-SECBINFHSA-N 1 3 266.345 -0.487 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2[NH2+]CC23CCOCC3)CCN1C ZINC001342649976 889811237 /nfs/dbraw/zinc/81/12/37/889811237.db2.gz QDCCAYNMGLEBCR-GRYCIOLGSA-N 1 3 267.373 -0.036 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343031324 889857751 /nfs/dbraw/zinc/85/77/51/889857751.db2.gz GFMQPCGMVGPJDF-DGCLKSJQSA-N 1 3 252.362 -0.756 20 0 CBADHO [NH3+]CC1(C(=O)N[C@H]2CCN(C3CC3)C2)CC(O)C1 ZINC001343407285 889902439 /nfs/dbraw/zinc/90/24/39/889902439.db2.gz AMRDLNBPGOONAU-FJJSSXBZSA-N 1 3 253.346 -0.561 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001343474678 889916231 /nfs/dbraw/zinc/91/62/31/889916231.db2.gz XLVFXGKPVHQWRV-RNJOBUHISA-N 1 3 267.373 -0.219 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001444313124 912424201 /nfs/dbraw/zinc/42/42/01/912424201.db2.gz YDTIPZWMZKSQNH-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001444377283 912438896 /nfs/dbraw/zinc/43/88/96/912438896.db2.gz OZUZHSVNRSCUNF-MNOVXSKESA-N 1 3 270.377 -0.845 20 0 CBADHO C[NH+](C)CCCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001444519230 912462549 /nfs/dbraw/zinc/46/25/49/912462549.db2.gz JMKVMUYKWVMNDU-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001444627963 912481032 /nfs/dbraw/zinc/48/10/32/912481032.db2.gz HZBUZAOIRSFVDU-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681035 912488504 /nfs/dbraw/zinc/48/85/04/912488504.db2.gz UNBPQDPPDPJEOS-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001444717462 912498529 /nfs/dbraw/zinc/49/85/29/912498529.db2.gz HRENLEFYXHKFND-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@H](O)CN(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445070949 912550157 /nfs/dbraw/zinc/55/01/57/912550157.db2.gz JIUSEGUWUYNRAP-CYBMUJFWSA-N 1 3 299.415 -0.520 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445386689 912650610 /nfs/dbraw/zinc/65/06/10/912650610.db2.gz VDRLNZPDCOEMID-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445386689 912650615 /nfs/dbraw/zinc/65/06/15/912650615.db2.gz VDRLNZPDCOEMID-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001445387060 912652543 /nfs/dbraw/zinc/65/25/43/912652543.db2.gz CTOQVUXREXAYPP-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445600796 912706765 /nfs/dbraw/zinc/70/67/65/912706765.db2.gz UNZVBEPGBQCQRM-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445599297 912707160 /nfs/dbraw/zinc/70/71/60/912707160.db2.gz MLYZJXHCNHUVAS-BJDJZHNGSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445599297 912707176 /nfs/dbraw/zinc/70/71/76/912707176.db2.gz MLYZJXHCNHUVAS-BJDJZHNGSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001445604548 912711180 /nfs/dbraw/zinc/71/11/80/912711180.db2.gz JTNKPADETBPPRZ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)[C@@H]1C ZINC001179763317 884708336 /nfs/dbraw/zinc/70/83/36/884708336.db2.gz GYWATJOJLQLVMT-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158287 884720136 /nfs/dbraw/zinc/72/01/36/884720136.db2.gz KFJIYWAIMIZHCL-CHWSQXEVSA-N 1 3 287.404 -0.476 20 0 CBADHO N[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@H]1F ZINC001204842997 884751571 /nfs/dbraw/zinc/75/15/71/884751571.db2.gz HGTDSWOYTRRHMI-OLZOCXBDSA-N 1 3 279.363 -0.028 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001210811969 884765461 /nfs/dbraw/zinc/76/54/61/884765461.db2.gz SEUGBQKYSMJNPY-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001446435035 912879552 /nfs/dbraw/zinc/87/95/52/912879552.db2.gz OCOHBDZUMNFHOW-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO [NH3+]CC[C@H]1CCCCN1CC(=O)N1CCNCC1 ZINC001326311483 884984528 /nfs/dbraw/zinc/98/45/28/884984528.db2.gz ZWSAXYFZPLUFHJ-GFCCVEGCSA-N 1 3 254.378 -0.379 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001446440367 912884892 /nfs/dbraw/zinc/88/48/92/912884892.db2.gz ZRVHNMLRRQCPOF-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446441568 912885088 /nfs/dbraw/zinc/88/50/88/912885088.db2.gz ZZLQKAJHXXGTFM-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001326924174 885194839 /nfs/dbraw/zinc/19/48/39/885194839.db2.gz UKYRTXWNADNZPD-YUMQZZPRSA-N 1 3 251.277 -0.536 20 0 CBADHO COCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001326990186 885214983 /nfs/dbraw/zinc/21/49/83/885214983.db2.gz YMJNGPMHKUCFSH-CYBMUJFWSA-N 1 3 299.415 -0.066 20 0 CBADHO [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001327682023 885449695 /nfs/dbraw/zinc/44/96/95/885449695.db2.gz ITGRXMHCYFJDRK-CHWSQXEVSA-N 1 3 296.415 -0.025 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2=CC[NH2+]CC2)n1 ZINC001327817700 885483802 /nfs/dbraw/zinc/48/38/02/885483802.db2.gz BWBVZCDTSOKZIN-UHFFFAOYSA-N 1 3 292.343 -0.640 20 0 CBADHO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758162 912940976 /nfs/dbraw/zinc/94/09/76/912940976.db2.gz NEYGQVWMQJKUNB-JSGCOSHPSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758162 912940988 /nfs/dbraw/zinc/94/09/88/912940988.db2.gz NEYGQVWMQJKUNB-JSGCOSHPSA-N 1 3 299.415 -0.596 20 0 CBADHO CSCC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001328331800 885639676 /nfs/dbraw/zinc/63/96/76/885639676.db2.gz FRQBJSQYRBICFB-ZJUUUORDSA-N 1 3 261.391 -0.439 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001328368015 885657401 /nfs/dbraw/zinc/65/74/01/885657401.db2.gz MGRDGVASZLFLIK-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO NCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001328522405 885714714 /nfs/dbraw/zinc/71/47/14/885714714.db2.gz MFGMDEPXTYRVPN-WDEREUQCSA-N 1 3 268.361 -0.948 20 0 CBADHO NCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001328522402 885716819 /nfs/dbraw/zinc/71/68/19/885716819.db2.gz MFGMDEPXTYRVPN-GHMZBOCLSA-N 1 3 268.361 -0.948 20 0 CBADHO O=C(CC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC001329976250 886309982 /nfs/dbraw/zinc/30/99/82/886309982.db2.gz LKFSTNCSWVCJAZ-UHFFFAOYSA-N 1 3 253.346 -0.423 20 0 CBADHO C[C@@H](O)CN1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049221 886337749 /nfs/dbraw/zinc/33/77/49/886337749.db2.gz UGUDLKUKJSEYQL-GHMZBOCLSA-N 1 3 257.378 -0.245 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC001330528713 886470628 /nfs/dbraw/zinc/47/06/28/886470628.db2.gz NWWHMKYGUMKZPK-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO COCCNCC(=O)N(CCC[NH3+])CC(F)(F)F ZINC001331351043 886779687 /nfs/dbraw/zinc/77/96/87/886779687.db2.gz WAQMNWHWJANALJ-UHFFFAOYSA-N 1 3 271.283 -0.038 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331413414 886795677 /nfs/dbraw/zinc/79/56/77/886795677.db2.gz POCMEGZNWZNXIM-NHCYSSNCSA-N 1 3 256.350 -0.911 20 0 CBADHO COCCN[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331712914 886930344 /nfs/dbraw/zinc/93/03/44/886930344.db2.gz VVGNLDQUVUTDIT-STQMWFEESA-N 1 3 285.388 -0.959 20 0 CBADHO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001331713152 886930433 /nfs/dbraw/zinc/93/04/33/886930433.db2.gz VCMRYYZRINQPFL-VHSXEESVSA-N 1 3 257.309 -0.865 20 0 CBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001447624482 913101428 /nfs/dbraw/zinc/10/14/28/913101428.db2.gz SIAWHOAABVSMDW-ZDUSSCGKSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH]cn1 ZINC001332026350 887086569 /nfs/dbraw/zinc/08/65/69/887086569.db2.gz JZLUWUONHHRKRN-AAEUAGOBSA-N 1 3 296.371 -0.460 20 0 CBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447736250 913112756 /nfs/dbraw/zinc/11/27/56/913112756.db2.gz BFLRTSGOILNIGF-OLZOCXBDSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001447736250 913112762 /nfs/dbraw/zinc/11/27/62/913112762.db2.gz BFLRTSGOILNIGF-OLZOCXBDSA-N 1 3 299.415 -0.738 20 0 CBADHO C[NH2+]C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC001332159553 887137047 /nfs/dbraw/zinc/13/70/47/887137047.db2.gz ZXSICDFQGQRJRU-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC001332267649 887177891 /nfs/dbraw/zinc/17/78/91/887177891.db2.gz PVKNKAZWTBAIRD-STQMWFEESA-N 1 3 294.399 -0.450 20 0 CBADHO C[NH+](C)[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CNC1 ZINC001332366394 887232092 /nfs/dbraw/zinc/23/20/92/887232092.db2.gz ZZRAVMBYZBZXNJ-GHMZBOCLSA-N 1 3 261.391 -0.250 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@@H]1NS(=O)(=O)C1CNC1 ZINC001332366396 887232600 /nfs/dbraw/zinc/23/26/00/887232600.db2.gz ZZRAVMBYZBZXNJ-QWRGUYRKSA-N 1 3 261.391 -0.250 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001447800916 913126216 /nfs/dbraw/zinc/12/62/16/913126216.db2.gz YXTJZHCRBXZTIT-UHFFFAOYSA-N 1 3 296.415 -0.299 20 0 CBADHO [NH3+][C@@H]1C[C@@H](NC[C@@H](O)Cn2ccnn2)C12CCC2 ZINC001332419226 887269723 /nfs/dbraw/zinc/26/97/23/887269723.db2.gz BIYYUZWYSWWEGR-GMTAPVOTSA-N 1 3 251.334 -0.502 20 0 CBADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C12CCC2 ZINC001332419226 887269745 /nfs/dbraw/zinc/26/97/45/887269745.db2.gz BIYYUZWYSWWEGR-GMTAPVOTSA-N 1 3 251.334 -0.502 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001447822356 913134063 /nfs/dbraw/zinc/13/40/63/913134063.db2.gz KASFLSMSOFYGNT-UHFFFAOYSA-N 1 3 270.377 -0.704 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001332724991 887418026 /nfs/dbraw/zinc/41/80/26/887418026.db2.gz QKMOWDNLKMZTKA-ZIAGYGMSSA-N 1 3 299.463 -0.592 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001333000126 887498592 /nfs/dbraw/zinc/49/85/92/887498592.db2.gz LUHIQZNJCRMAFU-ADEWGFFLSA-N 1 3 266.345 -0.215 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001333397699 887622065 /nfs/dbraw/zinc/62/20/65/887622065.db2.gz MNBRRZMDUYPPRW-VHSXEESVSA-N 1 3 268.361 -0.855 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333397330 887622214 /nfs/dbraw/zinc/62/22/14/887622214.db2.gz ICZYMZFQXHFQNE-AVGNSLFASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001333404767 887625458 /nfs/dbraw/zinc/62/54/58/887625458.db2.gz ICQLPNAMJPYYCU-GMXVVIOVSA-N 1 3 294.399 -0.394 20 0 CBADHO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H](C)[NH3+] ZINC001333531570 887676263 /nfs/dbraw/zinc/67/62/63/887676263.db2.gz BHYSDAMCZDTTJO-NKWVEPMBSA-N 1 3 268.321 -0.824 20 0 CBADHO CN(CCCO)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001333582127 887704511 /nfs/dbraw/zinc/70/45/11/887704511.db2.gz JYBAMKFRNQOCGC-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N3)CC2)CC1 ZINC001333925736 887810619 /nfs/dbraw/zinc/81/06/19/887810619.db2.gz YBVQVRLNRRCHHW-ZDUSSCGKSA-N 1 3 294.399 -0.450 20 0 CBADHO Nc1ccnc(CNC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC001334212647 887891924 /nfs/dbraw/zinc/89/19/24/887891924.db2.gz LCZJPMRAJOIQMJ-UHFFFAOYSA-N 1 3 292.387 -0.242 20 0 CBADHO C[C@@H](CN1CCOCC1)N1CCNCC[NH2+]CC1 ZINC001334339306 887928732 /nfs/dbraw/zinc/92/87/32/887928732.db2.gz XEJZKARADCRXNP-ZDUSSCGKSA-N 1 3 256.394 -0.798 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C)CCN(C)CC1 ZINC001335243974 888463725 /nfs/dbraw/zinc/46/37/25/888463725.db2.gz NGSQJCSOPZJMOY-CQSZACIVSA-N 1 3 272.437 -0.522 20 0 CBADHO C[C@]1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCNC1=O ZINC001335288627 888485699 /nfs/dbraw/zinc/48/56/99/888485699.db2.gz HOBOPUUYXGLFFK-MFKMUULPSA-N 1 3 268.361 -0.948 20 0 CBADHO C[N@@H+]1CCCC[C@H](CNCCC(=O)NC(N)=O)C1 ZINC001335475942 888540618 /nfs/dbraw/zinc/54/06/18/888540618.db2.gz GNHXRYRWJAPTSE-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO C[N@H+]1CCCC[C@H](CNCCC(=O)NC(N)=O)C1 ZINC001335475942 888540621 /nfs/dbraw/zinc/54/06/21/888540621.db2.gz GNHXRYRWJAPTSE-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO CN1CCCC[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001335475942 888540627 /nfs/dbraw/zinc/54/06/27/888540627.db2.gz GNHXRYRWJAPTSE-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001335935870 888657874 /nfs/dbraw/zinc/65/78/74/888657874.db2.gz YIFTVKWNUQNKJD-OAHLLOKOSA-N 1 3 295.431 -0.139 20 0 CBADHO CC(=O)N1CCN(CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC001335934847 888657936 /nfs/dbraw/zinc/65/79/36/888657936.db2.gz SSPUOACLDMNDCO-HNNXBMFYSA-N 1 3 298.431 -0.803 20 0 CBADHO C[C@H]1CCN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001335986733 888666045 /nfs/dbraw/zinc/66/60/45/888666045.db2.gz PQIZSNXTXUZXBS-GJZGRUSLSA-N 1 3 284.448 -0.474 20 0 CBADHO CN(C)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)C1CC1 ZINC001336738938 888862852 /nfs/dbraw/zinc/86/28/52/888862852.db2.gz IXEKGUZXAVEUOD-GJZGRUSLSA-N 1 3 284.448 -0.476 20 0 CBADHO C[C@H](O)[C@H](C)[NH2+]CC(=O)NCCN1CCCCC1 ZINC001336829821 888895460 /nfs/dbraw/zinc/89/54/60/888895460.db2.gz FHBBIKSZRKKYCM-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H]1CN(CC[NH2+]C[C@@H](O)CN2CCCC2)CCO1 ZINC001338468884 889163782 /nfs/dbraw/zinc/16/37/82/889163782.db2.gz ZFFFRXITIAFFMT-UONOGXRCSA-N 1 3 271.405 -0.247 20 0 CBADHO C[C@@H]1CN(CC[NH2+]C[C@H](O)CN2CCCC2)CCO1 ZINC001338468883 889164102 /nfs/dbraw/zinc/16/41/02/889164102.db2.gz ZFFFRXITIAFFMT-KGLIPLIRSA-N 1 3 271.405 -0.247 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001338518337 889170318 /nfs/dbraw/zinc/17/03/18/889170318.db2.gz ALBWGHXTLKSANK-MNOVXSKESA-N 1 3 268.361 -0.360 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@@H]1Cc2cncn2C1)C1CC1 ZINC001338549397 889172698 /nfs/dbraw/zinc/17/26/98/889172698.db2.gz IHJZACMQQDNSQU-ZWNOBZJWSA-N 1 3 250.346 -0.148 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@@H]1Cc2cncn2C1)C1CC1 ZINC001338549397 889172702 /nfs/dbraw/zinc/17/27/02/889172702.db2.gz IHJZACMQQDNSQU-ZWNOBZJWSA-N 1 3 250.346 -0.148 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001339716669 889313093 /nfs/dbraw/zinc/31/30/93/889313093.db2.gz WOSIMTWIGVHJAN-OPRDCNLKSA-N 1 3 257.334 -0.537 20 0 CBADHO Cc1csc2nc(CNC(CN)C[NH3+])cc(=O)n12 ZINC001339915195 889343872 /nfs/dbraw/zinc/34/38/72/889343872.db2.gz SAKDUHQRGNUDFI-UHFFFAOYSA-N 1 3 267.358 -0.560 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448643354 913337693 /nfs/dbraw/zinc/33/76/93/913337693.db2.gz CQOMXVRPUDBVAK-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001448643354 913337706 /nfs/dbraw/zinc/33/77/06/913337706.db2.gz CQOMXVRPUDBVAK-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340041469 889370552 /nfs/dbraw/zinc/37/05/52/889370552.db2.gz KCVXLHOZIBXFBO-YRGRVCCFSA-N 1 3 269.389 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448659209 913341379 /nfs/dbraw/zinc/34/13/79/913341379.db2.gz QTSVPRQFRVXCOU-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO CCN1CCN(CCNC(=O)C2([NH2+]C)CCC2)CC1 ZINC001340114214 889386290 /nfs/dbraw/zinc/38/62/90/889386290.db2.gz WLWPXLFUVOHPDT-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448659206 913341629 /nfs/dbraw/zinc/34/16/29/913341629.db2.gz QTSVPRQFRVXCOU-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCN1 ZINC001340150067 889399271 /nfs/dbraw/zinc/39/92/71/889399271.db2.gz YUKPROMVOWGZPM-OCCSQVGLSA-N 1 3 269.389 -0.053 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001340251515 889413682 /nfs/dbraw/zinc/41/36/82/889413682.db2.gz YICDFQRSHUMNPB-CHWSQXEVSA-N 1 3 268.405 -0.275 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001340674597 889464332 /nfs/dbraw/zinc/46/43/32/889464332.db2.gz NAUJFLCOXSDSTB-ZDUSSCGKSA-N 1 3 284.404 -0.883 20 0 CBADHO C[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H](O)C[NH2+]1 ZINC001340843656 889495349 /nfs/dbraw/zinc/49/53/49/889495349.db2.gz JULZGRUGOSUEJX-MBNYWOFBSA-N 1 3 267.373 -0.204 20 0 CBADHO NCC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001341047452 889537180 /nfs/dbraw/zinc/53/71/80/889537180.db2.gz BJMDWAVCATWNEO-UHFFFAOYSA-N 1 3 262.357 -0.333 20 0 CBADHO [NH3+]CCc1ccc(C(=O)NC[C@H]2CNCCO2)cc1 ZINC001341096072 889542019 /nfs/dbraw/zinc/54/20/19/889542019.db2.gz FFDOTZXEWNJYDZ-CYBMUJFWSA-N 1 3 263.341 -0.094 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145666 889550439 /nfs/dbraw/zinc/55/04/39/889550439.db2.gz QSLRKBYECSQANL-LPEHRKFASA-N 1 3 266.349 -0.552 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341457489 889602298 /nfs/dbraw/zinc/60/22/98/889602298.db2.gz JDZALRITEGCNAF-BZPMIXESSA-N 1 3 267.373 -0.177 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CC2CC([NH3+])C2)C1 ZINC001341605668 889632112 /nfs/dbraw/zinc/63/21/12/889632112.db2.gz QOOVZUYEXTWMQL-HTAVTVPLSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001341732178 889654486 /nfs/dbraw/zinc/65/44/86/889654486.db2.gz ILEQMSYLDRUYOE-QLFBSQMISA-N 1 3 294.443 -0.014 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001341723131 889655382 /nfs/dbraw/zinc/65/53/82/889655382.db2.gz WWEDGWWJUBNVQM-CHWSQXEVSA-N 1 3 297.399 -0.028 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001341732174 889655494 /nfs/dbraw/zinc/65/54/94/889655494.db2.gz ILEQMSYLDRUYOE-ILXRZTDVSA-N 1 3 294.443 -0.014 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341733049 889655506 /nfs/dbraw/zinc/65/55/06/889655506.db2.gz NTIZYLBQTVDNLG-WUWHUORYSA-N 1 3 267.373 -0.302 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341794579 889663538 /nfs/dbraw/zinc/66/35/38/889663538.db2.gz FBMPHDZJJAXDSU-BBBLOLIVSA-N 1 3 255.318 -0.913 20 0 CBADHO CN1CCN(C2CC[NH+](C[C@@H](O)CO)CC2)CC1 ZINC001341816841 889669166 /nfs/dbraw/zinc/66/91/66/889669166.db2.gz FSWMRRPPIZILED-CYBMUJFWSA-N 1 3 257.378 -0.949 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CNCCN2C)CC[C@@H]1C[NH3+] ZINC001341878774 889678447 /nfs/dbraw/zinc/67/84/47/889678447.db2.gz QOVUTPXKDXHXSF-IJLUTSLNSA-N 1 3 254.378 -0.667 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001342127145 889714818 /nfs/dbraw/zinc/71/48/18/889714818.db2.gz SWHUFUHVTJTLJV-QWRGUYRKSA-N 1 3 253.346 -0.377 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC001342159275 889724099 /nfs/dbraw/zinc/72/40/99/889724099.db2.gz KFUUTBIJJXXBEO-GFCCVEGCSA-N 1 3 254.378 -0.604 20 0 CBADHO N[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[C@H]1F ZINC001342265366 889741274 /nfs/dbraw/zinc/74/12/74/889741274.db2.gz MHOUJEMZSHBJPQ-FOGDFJRCSA-N 1 3 259.325 -0.611 20 0 CBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC001342480498 889780363 /nfs/dbraw/zinc/78/03/63/889780363.db2.gz FBYBXOKVDHZZFJ-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO N[C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001342704913 889818078 /nfs/dbraw/zinc/81/80/78/889818078.db2.gz OMLZUMNLGFULMK-CYBMUJFWSA-N 1 3 262.357 -0.292 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343409832 889901891 /nfs/dbraw/zinc/90/18/91/889901891.db2.gz SSAXXAAIDKKKCR-QJPTWQEYSA-N 1 3 255.362 -0.179 20 0 CBADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)O)C1 ZINC001343407721 889904019 /nfs/dbraw/zinc/90/40/19/889904019.db2.gz KCECTJNMBDRMSG-GHMZBOCLSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)O)C1 ZINC001343407721 889904026 /nfs/dbraw/zinc/90/40/26/889904026.db2.gz KCECTJNMBDRMSG-GHMZBOCLSA-N 1 3 257.378 -0.067 20 0 CBADHO C[NH2+]CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001343565819 889931324 /nfs/dbraw/zinc/93/13/24/889931324.db2.gz ANSCXMVECIATPO-VXGBXAGGSA-N 1 3 255.362 -0.347 20 0 CBADHO C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001343565815 889931957 /nfs/dbraw/zinc/93/19/57/889931957.db2.gz ANSCXMVECIATPO-NEPJUHHUSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC1CC[NH2+]CC1)C(=O)C[C@H]1CNCCO1 ZINC001343568550 889934500 /nfs/dbraw/zinc/93/45/00/889934500.db2.gz KHNMJMVZBMPHLJ-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343764689 889962695 /nfs/dbraw/zinc/96/26/95/889962695.db2.gz KIBFPBNNZXLECS-OLZOCXBDSA-N 1 3 268.405 -0.214 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343764696 889963288 /nfs/dbraw/zinc/96/32/88/889963288.db2.gz KIBFPBNNZXLECS-STQMWFEESA-N 1 3 268.405 -0.214 20 0 CBADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1COC2(CNC2)C1 ZINC001344010862 889989867 /nfs/dbraw/zinc/98/98/67/889989867.db2.gz GOKJZBIZLOAQDD-RRNNCXACSA-N 1 3 265.357 -0.211 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001344846505 890075361 /nfs/dbraw/zinc/07/53/61/890075361.db2.gz NMXJORPOBNJJJZ-XKNYDFJKSA-N 1 3 254.334 -0.313 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001345607201 890146459 /nfs/dbraw/zinc/14/64/59/890146459.db2.gz VGVYOJQEVIJMIW-MRXNPFEDSA-N 1 3 296.459 -0.189 20 0 CBADHO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CN(C)CC(C)(C)C ZINC001448912104 913455745 /nfs/dbraw/zinc/45/57/45/913455745.db2.gz TZEWNTMGAXXBFH-NEPJUHHUSA-N 1 3 289.420 -0.588 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001348082907 890556046 /nfs/dbraw/zinc/55/60/46/890556046.db2.gz NMMUPNBUMOPOIR-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO C[C@@]1(C[NH3+])CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC001349214435 890776298 /nfs/dbraw/zinc/77/62/98/890776298.db2.gz FYKYNRNAZJQFML-ZDUSSCGKSA-N 1 3 263.345 -0.134 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001349274265 890786461 /nfs/dbraw/zinc/78/64/61/890786461.db2.gz WGLWHBYYNKRSCQ-GXSJLCMTSA-N 1 3 266.349 -0.505 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317466 890792768 /nfs/dbraw/zinc/79/27/68/890792768.db2.gz CEDBIKIVEOKYIF-ZJUUUORDSA-N 1 3 266.345 -0.747 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001349398103 890804871 /nfs/dbraw/zinc/80/48/71/890804871.db2.gz FCIUFRNSKNJDQE-YPMHNXCESA-N 1 3 296.371 -0.634 20 0 CBADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001349608108 890848446 /nfs/dbraw/zinc/84/84/46/890848446.db2.gz IAFMXMKCBAKJHM-MVZIDQBPSA-N 1 3 265.357 -0.257 20 0 CBADHO CO[C@@H](CN)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC001349816654 890897765 /nfs/dbraw/zinc/89/77/65/890897765.db2.gz QKLWYIWLENQAEQ-JTQLQIEISA-N 1 3 259.350 -0.813 20 0 CBADHO c1c(CNCC2CC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC001351756904 891180496 /nfs/dbraw/zinc/18/04/96/891180496.db2.gz PXOIZKYJTOEIHY-LBPRGKRZSA-N 1 3 251.334 -0.234 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)c2c(CN)cnn2C)CC[NH2+]1 ZINC001352839683 891305814 /nfs/dbraw/zinc/30/58/14/891305814.db2.gz QALSUUIZHPZFPI-PSASIEDQSA-N 1 3 251.334 -0.251 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC1([NH3+])CCCC1 ZINC001352850052 891309568 /nfs/dbraw/zinc/30/95/68/891309568.db2.gz UUPGEBNFJCOZIU-UHFFFAOYSA-N 1 3 251.334 -0.120 20 0 CBADHO C[C@H](CC[NH2+]C[C@H](O)C1(O)CCOCC1)N(C)C ZINC001353288456 891396955 /nfs/dbraw/zinc/39/69/55/891396955.db2.gz ZXQBQEVDCZPLQG-NEPJUHHUSA-N 1 3 260.378 -0.181 20 0 CBADHO C[NH2+]CCN(C(=O)NC[C@H]1CNCCO1)C(C)C ZINC001353427867 891424870 /nfs/dbraw/zinc/42/48/70/891424870.db2.gz CYTKGFBIVQFQGZ-LLVKDONJSA-N 1 3 258.366 -0.386 20 0 CBADHO [NH3+]CCNCC(=O)N1CCN(C2CCCC2)CC1 ZINC001353468988 891430192 /nfs/dbraw/zinc/43/01/92/891430192.db2.gz KOEUVBNGUCEUDA-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)NC[C@H]1NCCc2ccccc21 ZINC001353647111 891455755 /nfs/dbraw/zinc/45/57/55/891455755.db2.gz ZTZFVKNEZQFPGC-DGCLKSJQSA-N 1 3 263.341 -0.301 20 0 CBADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc2c(s1)CNCC2 ZINC001354330934 891565877 /nfs/dbraw/zinc/56/58/77/891565877.db2.gz SRSBLXZZMONJDQ-DTWKUNHWSA-N 1 3 267.354 -0.544 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H](N)C(C)(C)O)[C@@H]2C1 ZINC001356402661 891753951 /nfs/dbraw/zinc/75/39/51/891753951.db2.gz SVPNAZHGEWDLGR-LNFKQOIKSA-N 1 3 255.362 -0.459 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H](N)C(C)(C)O)[C@@H]2C1 ZINC001356402661 891753970 /nfs/dbraw/zinc/75/39/70/891753970.db2.gz SVPNAZHGEWDLGR-LNFKQOIKSA-N 1 3 255.362 -0.459 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H](N)C(C)(C)O)[C@H]2C1 ZINC001356402662 891755015 /nfs/dbraw/zinc/75/50/15/891755015.db2.gz SVPNAZHGEWDLGR-UKKRHICBSA-N 1 3 255.362 -0.459 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)[C@@H](N)C(C)(C)O)[C@H]2C1 ZINC001356402662 891755023 /nfs/dbraw/zinc/75/50/23/891755023.db2.gz SVPNAZHGEWDLGR-UKKRHICBSA-N 1 3 255.362 -0.459 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001356412507 891756301 /nfs/dbraw/zinc/75/63/01/891756301.db2.gz KFTAQUJJSDEANZ-WHOHXGKFSA-N 1 3 255.362 -0.193 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001356412507 891756310 /nfs/dbraw/zinc/75/63/10/891756310.db2.gz KFTAQUJJSDEANZ-WHOHXGKFSA-N 1 3 255.362 -0.193 20 0 CBADHO Cc1nnc(CC[NH2+]C[C@@H](O)CN2CCCC2)n1C ZINC001357168034 891855898 /nfs/dbraw/zinc/85/58/98/891855898.db2.gz ZAJXHLSSDMPERR-GFCCVEGCSA-N 1 3 267.377 -0.288 20 0 CBADHO C[NH+](C)CCOCCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001357536405 891911341 /nfs/dbraw/zinc/91/13/41/891911341.db2.gz QXWFYXTZIIEBFK-LLVKDONJSA-N 1 3 295.387 -0.015 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001357810761 891937905 /nfs/dbraw/zinc/93/79/05/891937905.db2.gz MKHJWBKNFDVBRS-IVZWLZJFSA-N 1 3 257.334 -0.395 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001357810768 891938186 /nfs/dbraw/zinc/93/81/86/891938186.db2.gz MKHJWBKNFDVBRS-KXUCPTDWSA-N 1 3 257.334 -0.395 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357946542 891951465 /nfs/dbraw/zinc/95/14/65/891951465.db2.gz ZBDZURKDYJJBHJ-RYUDHWBXSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001365823390 895128976 /nfs/dbraw/zinc/12/89/76/895128976.db2.gz WDAPDYAVGCFWAD-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940029 895143882 /nfs/dbraw/zinc/14/38/82/895143882.db2.gz NIDGTAOFNNIFRV-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](N[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070335 895182043 /nfs/dbraw/zinc/18/20/43/895182043.db2.gz WVUGDCWGZOTIJX-CMPLNLGQSA-N 1 3 294.399 -0.560 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001366091082 895188316 /nfs/dbraw/zinc/18/83/16/895188316.db2.gz BKIIVPRYCOPMOR-FRRDWIJNSA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001366091082 895188320 /nfs/dbraw/zinc/18/83/20/895188320.db2.gz BKIIVPRYCOPMOR-FRRDWIJNSA-N 1 3 296.415 -0.395 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366096351 895188734 /nfs/dbraw/zinc/18/87/34/895188734.db2.gz BAJHSVWRJJFHMC-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001366097833 895190973 /nfs/dbraw/zinc/19/09/73/895190973.db2.gz JRMFDKJKLXEFRM-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001366101248 895191995 /nfs/dbraw/zinc/19/19/95/895191995.db2.gz GQDDRBWVIFPFNT-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001366131139 895200594 /nfs/dbraw/zinc/20/05/94/895200594.db2.gz MNQVZXYUVSGPFA-XYPYZODXSA-N 1 3 270.377 -0.691 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001366291231 895263643 /nfs/dbraw/zinc/26/36/43/895263643.db2.gz VSQDATUOZNGETD-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001366328139 895280546 /nfs/dbraw/zinc/28/05/46/895280546.db2.gz RRNMRSSFAFXJBI-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366358129 895289606 /nfs/dbraw/zinc/28/96/06/895289606.db2.gz NDMVLYQSBKAZDL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366358129 895289613 /nfs/dbraw/zinc/28/96/13/895289613.db2.gz NDMVLYQSBKAZDL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366382146 895303043 /nfs/dbraw/zinc/30/30/43/895303043.db2.gz MDJCLNHAMYDSSQ-QWHCGFSZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001366779460 895459614 /nfs/dbraw/zinc/45/96/14/895459614.db2.gz XIEOEQBUFGHXKP-CHWSQXEVSA-N 1 3 298.431 -0.149 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366779042 895461551 /nfs/dbraw/zinc/46/15/51/895461551.db2.gz QRVVWMXKYCZMMJ-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366779042 895461560 /nfs/dbraw/zinc/46/15/60/895461560.db2.gz QRVVWMXKYCZMMJ-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001367034402 895543779 /nfs/dbraw/zinc/54/37/79/895543779.db2.gz AAJHKJZVKCYBKU-XQQFMLRXSA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001367034402 895543785 /nfs/dbraw/zinc/54/37/85/895543785.db2.gz AAJHKJZVKCYBKU-XQQFMLRXSA-N 1 3 285.388 -0.864 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001367128809 895571764 /nfs/dbraw/zinc/57/17/64/895571764.db2.gz RTXDFRZHGYOVAW-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001367157894 895577519 /nfs/dbraw/zinc/57/75/19/895577519.db2.gz KYTJAICEOBYEIC-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001367157895 895578452 /nfs/dbraw/zinc/57/84/52/895578452.db2.gz KYTJAICEOBYEIC-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001367194751 895583635 /nfs/dbraw/zinc/58/36/35/895583635.db2.gz HUSFHIZYLOBVOB-DOMZBBRYSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC)N(C)C ZINC001367224344 895585409 /nfs/dbraw/zinc/58/54/09/895585409.db2.gz DZOZHPCRDTYKFO-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001367220831 895586298 /nfs/dbraw/zinc/58/62/98/895586298.db2.gz FYJNDKVDFWARAX-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381682 895630100 /nfs/dbraw/zinc/63/01/00/895630100.db2.gz ZSWXTNITCDOSKR-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367406826 895632169 /nfs/dbraw/zinc/63/21/69/895632169.db2.gz QQLKTVLBASJIMM-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367406826 895632173 /nfs/dbraw/zinc/63/21/73/895632173.db2.gz QQLKTVLBASJIMM-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(N)=O)C(C)C)CC[N@@H+]1C ZINC001367464957 895639611 /nfs/dbraw/zinc/63/96/11/895639611.db2.gz MBYFZGZKFVGPNW-RWMBFGLXSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(N)=O)C(C)C)CC[N@H+]1C ZINC001367464957 895639617 /nfs/dbraw/zinc/63/96/17/895639617.db2.gz MBYFZGZKFVGPNW-RWMBFGLXSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367606776 895698014 /nfs/dbraw/zinc/69/80/14/895698014.db2.gz OOIVBSBXIJEOBO-NEPJUHHUSA-N 1 3 287.404 -0.692 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367681722 895745180 /nfs/dbraw/zinc/74/51/80/895745180.db2.gz ABBWEILYTCQVNX-NWDGAFQWSA-N 1 3 286.420 -0.116 20 0 CBADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367681860 895746249 /nfs/dbraw/zinc/74/62/49/895746249.db2.gz AZULSTDOUIMRQY-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367681860 895746262 /nfs/dbraw/zinc/74/62/62/895746262.db2.gz AZULSTDOUIMRQY-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001367699083 895753916 /nfs/dbraw/zinc/75/39/16/895753916.db2.gz XTHYKYDYUGOXCW-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367737838 895779782 /nfs/dbraw/zinc/77/97/82/895779782.db2.gz MPKLJDOTFSOAAS-AAEUAGOBSA-N 1 3 286.420 -0.197 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367735477 895782349 /nfs/dbraw/zinc/78/23/49/895782349.db2.gz SUCFSBRGLQEROT-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001367742343 895787903 /nfs/dbraw/zinc/78/79/03/895787903.db2.gz XOQPWLUPQLWNAM-QJPTWQEYSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001367776959 895801725 /nfs/dbraw/zinc/80/17/25/895801725.db2.gz SWIGWCGZBZFKID-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367773564 895802546 /nfs/dbraw/zinc/80/25/46/895802546.db2.gz XQMJXPPXBAYSBY-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367773564 895802562 /nfs/dbraw/zinc/80/25/62/895802562.db2.gz XQMJXPPXBAYSBY-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001367907060 895849785 /nfs/dbraw/zinc/84/97/85/895849785.db2.gz LGSUTZWKPGVJAB-WCFLWFBJSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001367907060 895849796 /nfs/dbraw/zinc/84/97/96/895849796.db2.gz LGSUTZWKPGVJAB-WCFLWFBJSA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919993 895855826 /nfs/dbraw/zinc/85/58/26/895855826.db2.gz KABHMEWYBGOBKF-JSGCOSHPSA-N 1 3 298.431 -0.197 20 0 CBADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368202009 895933342 /nfs/dbraw/zinc/93/33/42/895933342.db2.gz YNCWYZRAPFBAJD-IINYFYTJSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368202011 895935688 /nfs/dbraw/zinc/93/56/88/895935688.db2.gz YNCWYZRAPFBAJD-YGRLFVJLSA-N 1 3 293.371 -0.346 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368277068 895958824 /nfs/dbraw/zinc/95/88/24/895958824.db2.gz ISGSOSZOEGVMNP-CQSZACIVSA-N 1 3 287.404 -0.736 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368277068 895958834 /nfs/dbraw/zinc/95/88/34/895958834.db2.gz ISGSOSZOEGVMNP-CQSZACIVSA-N 1 3 287.404 -0.736 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368486490 896017950 /nfs/dbraw/zinc/01/79/50/896017950.db2.gz MRAUJDFUBSFGDA-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368486490 896017937 /nfs/dbraw/zinc/01/79/37/896017937.db2.gz MRAUJDFUBSFGDA-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368486492 896020323 /nfs/dbraw/zinc/02/03/23/896020323.db2.gz MRAUJDFUBSFGDA-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368486492 896020331 /nfs/dbraw/zinc/02/03/31/896020331.db2.gz MRAUJDFUBSFGDA-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CNC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001368496310 896023225 /nfs/dbraw/zinc/02/32/25/896023225.db2.gz IQRSXJLTYSCDIV-UHFFFAOYSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001368537405 896029830 /nfs/dbraw/zinc/02/98/30/896029830.db2.gz WKMRONMDBGDSEU-PWSUYJOCSA-N 1 3 282.344 -0.850 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001368574291 896037689 /nfs/dbraw/zinc/03/76/89/896037689.db2.gz PFWQGUXEDXUFRW-CYDGBPFRSA-N 1 3 298.431 -0.069 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001368663834 896055932 /nfs/dbraw/zinc/05/59/32/896055932.db2.gz FLKGJCMWBGHELY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001368780904 896079627 /nfs/dbraw/zinc/07/96/27/896079627.db2.gz HAWYNZMVIPFHQI-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001368817903 896090162 /nfs/dbraw/zinc/09/01/62/896090162.db2.gz HEMJKXZXLXIWNV-VOMCLLRMSA-N 1 3 282.388 -0.702 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001368825215 896090753 /nfs/dbraw/zinc/09/07/53/896090753.db2.gz KVSIGGJBEHOAAX-PNESKVBLSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCCS(C)(=O)=O ZINC001368869938 896100092 /nfs/dbraw/zinc/10/00/92/896100092.db2.gz QLGGGEJQNPTAFA-WDEREUQCSA-N 1 3 293.433 -0.535 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001369173984 896165272 /nfs/dbraw/zinc/16/52/72/896165272.db2.gz PXGAIGQOWBSFDO-KKOKHZNYSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1)N(C)C ZINC001369444913 896268829 /nfs/dbraw/zinc/26/88/29/896268829.db2.gz SPGQOGQEJRHZPU-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369553767 896317323 /nfs/dbraw/zinc/31/73/23/896317323.db2.gz LZGDQTSUOMPMHH-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001370230155 896413794 /nfs/dbraw/zinc/41/37/94/896413794.db2.gz VBIZRZXYQYGGKK-JQWIXIFHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001370390398 896422084 /nfs/dbraw/zinc/42/20/84/896422084.db2.gz MNJYNCGXYIIQPW-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001370548867 896441760 /nfs/dbraw/zinc/44/17/60/896441760.db2.gz PXINGJGIMHZRCT-SRVKXCTJSA-N 1 3 296.371 -0.495 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001370676722 896475473 /nfs/dbraw/zinc/47/54/73/896475473.db2.gz JQIFXXMFYXUROK-XQHKEYJVSA-N 1 3 296.415 -0.301 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001370709800 896484132 /nfs/dbraw/zinc/48/41/32/896484132.db2.gz DSOKNHAILLANRG-WYUUTHIRSA-N 1 3 284.404 -0.302 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371214940 896577524 /nfs/dbraw/zinc/57/75/24/896577524.db2.gz WLIPLDFKDBIKGY-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371202821 896578854 /nfs/dbraw/zinc/57/88/54/896578854.db2.gz OHHRSFYZZWQUGN-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001371535139 896632188 /nfs/dbraw/zinc/63/21/88/896632188.db2.gz KPOMTKPOXBYESS-CMPLNLGQSA-N 1 3 282.344 -0.850 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001372319396 896772345 /nfs/dbraw/zinc/77/23/45/896772345.db2.gz WHFIMSDQBAMDNS-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1CCn1cncn1 ZINC001372560471 896807436 /nfs/dbraw/zinc/80/74/36/896807436.db2.gz XFGKHIGTSOJAEJ-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1CCn1cncn1 ZINC001372560475 896809421 /nfs/dbraw/zinc/80/94/21/896809421.db2.gz XFGKHIGTSOJAEJ-ZDUSSCGKSA-N 1 3 294.403 -0.190 20 0 CBADHO COC[C@H](O)C[N@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001372774813 896860090 /nfs/dbraw/zinc/86/00/90/896860090.db2.gz GBXLZFPAXNNBGK-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001372774813 896860100 /nfs/dbraw/zinc/86/01/00/896860100.db2.gz GBXLZFPAXNNBGK-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001372912381 896897982 /nfs/dbraw/zinc/89/79/82/896897982.db2.gz ZYVMNJNGVWZGNV-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372912381 896897999 /nfs/dbraw/zinc/89/79/99/896897999.db2.gz ZYVMNJNGVWZGNV-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001372953637 896912685 /nfs/dbraw/zinc/91/26/85/896912685.db2.gz ZAZJCHGZCQGMSI-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946256 896914019 /nfs/dbraw/zinc/91/40/19/896914019.db2.gz MCBAMLRDFIJLAF-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001372946256 896914032 /nfs/dbraw/zinc/91/40/32/896914032.db2.gz MCBAMLRDFIJLAF-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001373328977 896974149 /nfs/dbraw/zinc/97/41/49/896974149.db2.gz BBBFOBUWJMOWOH-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001373328977 896974159 /nfs/dbraw/zinc/97/41/59/896974159.db2.gz BBBFOBUWJMOWOH-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001373453993 897021281 /nfs/dbraw/zinc/02/12/81/897021281.db2.gz GHLMQQKNGPVOKB-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001373453993 897021290 /nfs/dbraw/zinc/02/12/90/897021290.db2.gz GHLMQQKNGPVOKB-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)Cc1c[nH]cn1 ZINC001373685821 897102550 /nfs/dbraw/zinc/10/25/50/897102550.db2.gz JHOWPNBZWJYEEM-UHFFFAOYSA-N 1 3 295.387 -0.131 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)Cc1c[nH]cn1 ZINC001373685821 897102559 /nfs/dbraw/zinc/10/25/59/897102559.db2.gz JHOWPNBZWJYEEM-UHFFFAOYSA-N 1 3 295.387 -0.131 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001374112372 897170897 /nfs/dbraw/zinc/17/08/97/897170897.db2.gz NKDRUCNCAQYYQX-NSHDSACASA-N 1 3 272.393 -0.586 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001374210048 897190930 /nfs/dbraw/zinc/19/09/30/897190930.db2.gz YPLTVHHVWCUKRA-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279039 897200749 /nfs/dbraw/zinc/20/07/49/897200749.db2.gz WVYMVSZWBYIXMT-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001374278172 897201212 /nfs/dbraw/zinc/20/12/12/897201212.db2.gz GFFLZLGHJSVCSZ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374310945 897213040 /nfs/dbraw/zinc/21/30/40/897213040.db2.gz FRHJHJNUCNMNIJ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374310945 897213058 /nfs/dbraw/zinc/21/30/58/897213058.db2.gz FRHJHJNUCNMNIJ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001374560711 897260859 /nfs/dbraw/zinc/26/08/59/897260859.db2.gz DYVNUJPAOSHUTL-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C)C(N)=O ZINC001374709373 897352403 /nfs/dbraw/zinc/35/24/03/897352403.db2.gz HTGCSGIHLFYKNZ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001374709375 897355215 /nfs/dbraw/zinc/35/52/15/897355215.db2.gz HTGCSGIHLFYKNZ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)CC[NH+](C)C ZINC001374754463 897376522 /nfs/dbraw/zinc/37/65/22/897376522.db2.gz OHAMRZNNKZQRNW-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001375277129 897506427 /nfs/dbraw/zinc/50/64/27/897506427.db2.gz JYKAUEJATMZFJS-PWSUYJOCSA-N 1 3 284.404 -0.315 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001375637768 897579039 /nfs/dbraw/zinc/57/90/39/897579039.db2.gz XEYFHDGCUSDPMD-UONOGXRCSA-N 1 3 299.415 -0.642 20 0 CBADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766481 897603690 /nfs/dbraw/zinc/60/36/90/897603690.db2.gz VVTSYXOTGSOEBT-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764302 897604251 /nfs/dbraw/zinc/60/42/51/897604251.db2.gz ORVDZPNYEKGRNS-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(CCOC)C1 ZINC001376086489 897649414 /nfs/dbraw/zinc/64/94/14/897649414.db2.gz DMWYLHXKPRZHGM-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CCOC)C1 ZINC001376086489 897649427 /nfs/dbraw/zinc/64/94/27/897649427.db2.gz DMWYLHXKPRZHGM-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCOC)C1)N(C)C ZINC001376100126 897653541 /nfs/dbraw/zinc/65/35/41/897653541.db2.gz ZSPPETSDOXMCHJ-TZMCWYRMSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1)N(C)C ZINC001376100126 897653550 /nfs/dbraw/zinc/65/35/50/897653550.db2.gz ZSPPETSDOXMCHJ-TZMCWYRMSA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376152635 897676849 /nfs/dbraw/zinc/67/68/49/897676849.db2.gz OBRYIRUMTKWJTN-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001376276678 897703637 /nfs/dbraw/zinc/70/36/37/897703637.db2.gz KHKBJYAZCWIBEV-PWSUYJOCSA-N 1 3 284.404 -0.315 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001376341486 897716221 /nfs/dbraw/zinc/71/62/21/897716221.db2.gz QYNCYJPBOIXKRO-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001376377946 897722642 /nfs/dbraw/zinc/72/26/42/897722642.db2.gz UCXUJWTZTUTZPV-DDHJBXDOSA-N 1 3 284.404 -0.173 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001376718629 897820514 /nfs/dbraw/zinc/82/05/14/897820514.db2.gz BCOJXCAETKZZRL-PWSUYJOCSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803978 897851885 /nfs/dbraw/zinc/85/18/85/897851885.db2.gz SYJKVWLMCYTLTO-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001376816132 897857814 /nfs/dbraw/zinc/85/78/14/897857814.db2.gz ZLYSERDLEBVKRU-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001376851624 897867353 /nfs/dbraw/zinc/86/73/53/897867353.db2.gz DRBREARTLIRACS-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001376851624 897867357 /nfs/dbraw/zinc/86/73/57/897867357.db2.gz DRBREARTLIRACS-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001376853447 897871354 /nfs/dbraw/zinc/87/13/54/897871354.db2.gz WNZUOUIBHMRAOX-OLZOCXBDSA-N 1 3 299.415 -0.332 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376922610 897891779 /nfs/dbraw/zinc/89/17/79/897891779.db2.gz SQLQEJRFTTZUOP-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376922610 897891789 /nfs/dbraw/zinc/89/17/89/897891789.db2.gz SQLQEJRFTTZUOP-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001376934084 897896830 /nfs/dbraw/zinc/89/68/30/897896830.db2.gz ISLWCMMRADNSKG-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001376971164 897904772 /nfs/dbraw/zinc/90/47/72/897904772.db2.gz ZCQWFDUIAZEBRH-UWVGGRQHSA-N 1 3 279.344 -0.736 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377587759 898098672 /nfs/dbraw/zinc/09/86/72/898098672.db2.gz FISIOOKJZHIMSA-NWDGAFQWSA-N 1 3 286.420 -0.245 20 0 CBADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001377713436 898122127 /nfs/dbraw/zinc/12/21/27/898122127.db2.gz XTSYKAMZOMGCLL-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001377829653 898143245 /nfs/dbraw/zinc/14/32/45/898143245.db2.gz SAWMIFCUASDLBX-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)NCC(N)=O ZINC001377841295 898146110 /nfs/dbraw/zinc/14/61/10/898146110.db2.gz WCJDNJGFWMMZBB-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001377864695 898152514 /nfs/dbraw/zinc/15/25/14/898152514.db2.gz HMQWEUNNIMUUHP-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)NCC(N)=O ZINC001377864705 898152641 /nfs/dbraw/zinc/15/26/41/898152641.db2.gz HMQWEUNNIMUUHP-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162588 898261496 /nfs/dbraw/zinc/26/14/96/898261496.db2.gz CJIGFMRJXXDWCC-QWHCGFSZSA-N 1 3 287.404 -0.522 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC ZINC001378305661 898308240 /nfs/dbraw/zinc/30/82/40/898308240.db2.gz VBMXHNRRJPWAMO-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001378344206 898320761 /nfs/dbraw/zinc/32/07/61/898320761.db2.gz OZSWNOHVJOMSDZ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001378344206 898320776 /nfs/dbraw/zinc/32/07/76/898320776.db2.gz OZSWNOHVJOMSDZ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001378569899 898354506 /nfs/dbraw/zinc/35/45/06/898354506.db2.gz UWLRLFBGOHVDSI-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818136 898415551 /nfs/dbraw/zinc/41/55/51/898415551.db2.gz ZQIFSGJMBPVZMG-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)N(C)C ZINC001378995814 898441584 /nfs/dbraw/zinc/44/15/84/898441584.db2.gz GEOMSFXNOFEKKK-GHMZBOCLSA-N 1 3 272.393 -0.458 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC001379285700 898537752 /nfs/dbraw/zinc/53/77/52/898537752.db2.gz QCDYDTMXEQYAID-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccccn2)C1 ZINC001379290168 898540371 /nfs/dbraw/zinc/54/03/71/898540371.db2.gz QYPWVNGQZPBEIM-TZMCWYRMSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccccn2)C1 ZINC001379290168 898540379 /nfs/dbraw/zinc/54/03/79/898540379.db2.gz QYPWVNGQZPBEIM-TZMCWYRMSA-N 1 3 292.383 -0.400 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001379328517 898551280 /nfs/dbraw/zinc/55/12/80/898551280.db2.gz ZHSHJSKSPCBUSF-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)CC[NH+](C)C ZINC001379329745 898551414 /nfs/dbraw/zinc/55/14/14/898551414.db2.gz ZAXSSULNKSLHRM-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001379456985 898620727 /nfs/dbraw/zinc/62/07/27/898620727.db2.gz AMYVQRFRKFVXHX-MWLCHTKSSA-N 1 3 284.360 -0.638 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379466801 898625816 /nfs/dbraw/zinc/62/58/16/898625816.db2.gz MOYJJWPABNBAQF-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001379510726 898649919 /nfs/dbraw/zinc/64/99/19/898649919.db2.gz VWAJYVPGQOAVTD-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379583937 898672013 /nfs/dbraw/zinc/67/20/13/898672013.db2.gz XUOZMAAHPPYLGL-NSHDSACASA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379594786 898676787 /nfs/dbraw/zinc/67/67/87/898676787.db2.gz CUVQFPXRPVKSJO-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379594786 898676796 /nfs/dbraw/zinc/67/67/96/898676796.db2.gz CUVQFPXRPVKSJO-RYUDHWBXSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379594120 898676828 /nfs/dbraw/zinc/67/68/28/898676828.db2.gz ACVPTKXUSDSCAU-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379594120 898676833 /nfs/dbraw/zinc/67/68/33/898676833.db2.gz ACVPTKXUSDSCAU-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001379598211 898676859 /nfs/dbraw/zinc/67/68/59/898676859.db2.gz JWGYPFPTPFFRMM-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCC(N)=O)CC1 ZINC001380291982 898850270 /nfs/dbraw/zinc/85/02/70/898850270.db2.gz QXPJVKABFKOGKA-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1 ZINC001380291981 898850693 /nfs/dbraw/zinc/85/06/93/898850693.db2.gz QXPJVKABFKOGKA-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO NC(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001380288249 898850918 /nfs/dbraw/zinc/85/09/18/898850918.db2.gz VWGDMYDGVBYKRB-LLVKDONJSA-N 1 3 280.372 -0.852 20 0 CBADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001380840975 898958361 /nfs/dbraw/zinc/95/83/61/898958361.db2.gz OIFDDIYCVSWYQU-GFCCVEGCSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001381097243 898996378 /nfs/dbraw/zinc/99/63/78/898996378.db2.gz PWZJLYBFDCTXFJ-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001381425238 899044590 /nfs/dbraw/zinc/04/45/90/899044590.db2.gz YMFNUUBHJWMUKB-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001381624931 899095421 /nfs/dbraw/zinc/09/54/21/899095421.db2.gz YSXFVAKJBDJLJI-STQMWFEESA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001381624931 899095433 /nfs/dbraw/zinc/09/54/33/899095433.db2.gz YSXFVAKJBDJLJI-STQMWFEESA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001381916367 899130328 /nfs/dbraw/zinc/13/03/28/899130328.db2.gz GNJUSAMBMHWRBA-TZMCWYRMSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001381961042 899136972 /nfs/dbraw/zinc/13/69/72/899136972.db2.gz GOYJNYCGZIFNLS-XYPYZODXSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028305 899142969 /nfs/dbraw/zinc/14/29/69/899142969.db2.gz CEAREZGIBLXCDA-YPMHNXCESA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110891 899156003 /nfs/dbraw/zinc/15/60/03/899156003.db2.gz GQDXABZKOOGVNY-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(N)=O ZINC001382121619 899161311 /nfs/dbraw/zinc/16/13/11/899161311.db2.gz LYIYHNNNHYHYTE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(N)=O ZINC001382121619 899161313 /nfs/dbraw/zinc/16/13/13/899161313.db2.gz LYIYHNNNHYHYTE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC ZINC001382142588 899163684 /nfs/dbraw/zinc/16/36/84/899163684.db2.gz OQEQIHUNAYUXOD-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC ZINC001382142588 899163691 /nfs/dbraw/zinc/16/36/91/899163691.db2.gz OQEQIHUNAYUXOD-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382152757 899167953 /nfs/dbraw/zinc/16/79/53/899167953.db2.gz MJGOXMSHSJWTQN-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382152757 899167963 /nfs/dbraw/zinc/16/79/63/899167963.db2.gz MJGOXMSHSJWTQN-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320370 899248648 /nfs/dbraw/zinc/24/86/48/899248648.db2.gz UUVJUXFTNLKZAO-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001389861286 900087392 /nfs/dbraw/zinc/08/73/92/900087392.db2.gz NMBXGPCDAMRKDZ-OBJOEFQTSA-N 1 3 298.431 -0.055 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001390367844 900146730 /nfs/dbraw/zinc/14/67/30/900146730.db2.gz MHPREPLCUZOMHU-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462741 900166077 /nfs/dbraw/zinc/16/60/77/900166077.db2.gz NHNZOJWRQFPICZ-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390516254 900179315 /nfs/dbraw/zinc/17/93/15/900179315.db2.gz XNTYITACLVMPFB-NEPJUHHUSA-N 1 3 299.419 -0.554 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001390538775 900184062 /nfs/dbraw/zinc/18/40/62/900184062.db2.gz PAFSCUSQJVVIAL-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001390537961 900184780 /nfs/dbraw/zinc/18/47/80/900184780.db2.gz YVAVSPBGRSJKFO-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390548855 900188143 /nfs/dbraw/zinc/18/81/43/900188143.db2.gz FXQJTZSTQLKTCT-QWHCGFSZSA-N 1 3 294.399 -0.450 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001390557206 900189420 /nfs/dbraw/zinc/18/94/20/900189420.db2.gz NZBTWDHAIWXYHO-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001390557206 900189428 /nfs/dbraw/zinc/18/94/28/900189428.db2.gz NZBTWDHAIWXYHO-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001390577178 900191955 /nfs/dbraw/zinc/19/19/55/900191955.db2.gz SINVUURELUXETH-ZDUSSCGKSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001390587098 900193256 /nfs/dbraw/zinc/19/32/56/900193256.db2.gz AYHFHZUDAMELRU-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)N(C)C ZINC001390710880 900212134 /nfs/dbraw/zinc/21/21/34/900212134.db2.gz HSCSXBRMQOOLCH-JQWIXIFHSA-N 1 3 272.393 -0.458 20 0 CBADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390711319 900216483 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CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001391354408 900362104 /nfs/dbraw/zinc/36/21/04/900362104.db2.gz PEKMYLRYMINEDR-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001391354408 900362112 /nfs/dbraw/zinc/36/21/12/900362112.db2.gz PEKMYLRYMINEDR-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC(N)=O ZINC001391744226 900445698 /nfs/dbraw/zinc/44/56/98/900445698.db2.gz RFYNQBOQNQLOLE-ZYHUDNBSSA-N 1 3 272.393 -0.458 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001391862482 900454075 /nfs/dbraw/zinc/45/40/75/900454075.db2.gz ZTWCPFANHGCVOQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001391862482 900454083 /nfs/dbraw/zinc/45/40/83/900454083.db2.gz ZTWCPFANHGCVOQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001391927271 900463949 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CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348342 900573742 /nfs/dbraw/zinc/57/37/42/900573742.db2.gz YBCNSXRVXHTVRX-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001392357294 900581782 /nfs/dbraw/zinc/58/17/82/900581782.db2.gz UNWTYFHRQNYWPA-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001456298677 914457453 /nfs/dbraw/zinc/45/74/53/914457453.db2.gz OXNQEKWVKTWJDE-QWRGUYRKSA-N 1 3 253.346 -0.473 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001456298677 914457464 /nfs/dbraw/zinc/45/74/64/914457464.db2.gz OXNQEKWVKTWJDE-QWRGUYRKSA-N 1 3 253.346 -0.473 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001456298675 914457517 /nfs/dbraw/zinc/45/75/17/914457517.db2.gz OXNQEKWVKTWJDE-MNOVXSKESA-N 1 3 253.346 -0.473 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001456298675 914457532 /nfs/dbraw/zinc/45/75/32/914457532.db2.gz OXNQEKWVKTWJDE-MNOVXSKESA-N 1 3 253.346 -0.473 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001392424850 900614733 /nfs/dbraw/zinc/61/47/33/900614733.db2.gz KLQGLZOTAPBVMH-ZIAGYGMSSA-N 1 3 292.383 -0.400 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001392424850 900614738 /nfs/dbraw/zinc/61/47/38/900614738.db2.gz KLQGLZOTAPBVMH-ZIAGYGMSSA-N 1 3 292.383 -0.400 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CCCN1C ZINC001392437393 900616258 /nfs/dbraw/zinc/61/62/58/900616258.db2.gz BWMOCRUVIUQHQX-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001392507082 900640438 /nfs/dbraw/zinc/64/04/38/900640438.db2.gz PODCIIQNNUILJP-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510609 900641608 /nfs/dbraw/zinc/64/16/08/900641608.db2.gz FXXANGPJOAPYMC-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001392512968 900645375 /nfs/dbraw/zinc/64/53/75/900645375.db2.gz QZHNEKOBLQBRJC-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001392571526 900665015 /nfs/dbraw/zinc/66/50/15/900665015.db2.gz AIHQKFJYBBKTSW-QJPTWQEYSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001392568883 900665118 /nfs/dbraw/zinc/66/51/18/900665118.db2.gz RFCOFBGAXMMBGW-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001392797617 900726558 /nfs/dbraw/zinc/72/65/58/900726558.db2.gz FTOTZYNNJCTEKN-STQMWFEESA-N 1 3 296.415 -0.301 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001392796481 900728539 /nfs/dbraw/zinc/72/85/39/900728539.db2.gz DWYVFWARHSXXGO-ZYHUDNBSSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001392796481 900728549 /nfs/dbraw/zinc/72/85/49/900728549.db2.gz DWYVFWARHSXXGO-ZYHUDNBSSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001393053230 900786875 /nfs/dbraw/zinc/78/68/75/900786875.db2.gz LNECXPOSRHJAEF-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001393143603 900799666 /nfs/dbraw/zinc/79/96/66/900799666.db2.gz LSPFMTYWGRCZHM-DOMZBBRYSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393644804 900886909 /nfs/dbraw/zinc/88/69/09/900886909.db2.gz QBTDTMMXRJXRMF-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393644804 900886916 /nfs/dbraw/zinc/88/69/16/900886916.db2.gz QBTDTMMXRJXRMF-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001394370773 901021118 /nfs/dbraw/zinc/02/11/18/901021118.db2.gz AABFXNVGOCCRHD-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001394519655 901044109 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C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001397024242 901356808 /nfs/dbraw/zinc/35/68/08/901356808.db2.gz BWGZQGOJQBSCID-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001397024242 901356812 /nfs/dbraw/zinc/35/68/12/901356812.db2.gz BWGZQGOJQBSCID-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001397602629 901436549 /nfs/dbraw/zinc/43/65/49/901436549.db2.gz FFZPKADGAQJQEQ-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001398134002 901502327 /nfs/dbraw/zinc/50/23/27/901502327.db2.gz OWABDCVYUPFXIX-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001398432101 901537530 /nfs/dbraw/zinc/53/75/30/901537530.db2.gz FJQBTOKTWRCMOM-NEPJUHHUSA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001398673336 901587326 /nfs/dbraw/zinc/58/73/26/901587326.db2.gz UCXUXUHMRBDHOY-RNJOBUHISA-N 1 3 296.415 -0.302 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001398947082 901640014 /nfs/dbraw/zinc/64/00/14/901640014.db2.gz OHEZHRAKZXUNKK-JQWIXIFHSA-N 1 3 272.393 -0.587 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001398961963 901641545 /nfs/dbraw/zinc/64/15/45/901641545.db2.gz BKSWAEXTJVIWPC-NWDGAFQWSA-N 1 3 282.392 -0.287 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399177151 901680120 /nfs/dbraw/zinc/68/01/20/901680120.db2.gz VSJCTMDQYOYPMV-GHMZBOCLSA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001399217668 901684100 /nfs/dbraw/zinc/68/41/00/901684100.db2.gz FTHSJXXDPSCMAE-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399249762 901687971 /nfs/dbraw/zinc/68/79/71/901687971.db2.gz WZJNYOJWRVTKPQ-TZMCWYRMSA-N 1 3 298.431 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001399258756 901688386 /nfs/dbraw/zinc/68/83/86/901688386.db2.gz XCHJWLDUMNXOEQ-NEPJUHHUSA-N 1 3 284.404 -0.362 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001400660907 901991676 /nfs/dbraw/zinc/99/16/76/901991676.db2.gz GGMVFBLNNOSWPW-YIYPIFLZSA-N 1 3 299.415 -0.476 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001400660907 901991689 /nfs/dbraw/zinc/99/16/89/901991689.db2.gz GGMVFBLNNOSWPW-YIYPIFLZSA-N 1 3 299.415 -0.476 20 0 CBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401435003 902124114 /nfs/dbraw/zinc/12/41/14/902124114.db2.gz GWVPDMWVOQMRNS-CHWSQXEVSA-N 1 3 287.404 -0.664 20 0 CBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401435003 902124121 /nfs/dbraw/zinc/12/41/21/902124121.db2.gz GWVPDMWVOQMRNS-CHWSQXEVSA-N 1 3 287.404 -0.664 20 0 CBADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001401594901 902181784 /nfs/dbraw/zinc/18/17/84/902181784.db2.gz BXWIOLHZFAPSIR-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401598036 902182624 /nfs/dbraw/zinc/18/26/24/902182624.db2.gz CNBZRMUBMQOHKS-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401598036 902182633 /nfs/dbraw/zinc/18/26/33/902182633.db2.gz CNBZRMUBMQOHKS-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401609653 902189422 /nfs/dbraw/zinc/18/94/22/902189422.db2.gz LFJANGKTVMSJKN-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001401627007 902200661 /nfs/dbraw/zinc/20/06/61/902200661.db2.gz RFCOFBGAXMMBGW-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC ZINC001401626011 902201634 /nfs/dbraw/zinc/20/16/34/902201634.db2.gz DTHDQNMGRBZSII-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC ZINC001401626011 902201645 /nfs/dbraw/zinc/20/16/45/902201645.db2.gz DTHDQNMGRBZSII-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401641449 902204489 /nfs/dbraw/zinc/20/44/89/902204489.db2.gz WKJQFTCVUGHULY-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401700980 902236650 /nfs/dbraw/zinc/23/66/50/902236650.db2.gz VJRQEMFKOZXLAL-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401697670 902236707 /nfs/dbraw/zinc/23/67/07/902236707.db2.gz KRPJQPFQTLNMLS-CYDGBPFRSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401697670 902236718 /nfs/dbraw/zinc/23/67/18/902236718.db2.gz KRPJQPFQTLNMLS-CYDGBPFRSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401705340 902241195 /nfs/dbraw/zinc/24/11/95/902241195.db2.gz UOZSKJTYTAVAEX-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001401716148 902245191 /nfs/dbraw/zinc/24/51/91/902245191.db2.gz FCBNNAFNFYSYRV-GXTWGEPZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001401976251 902330905 /nfs/dbraw/zinc/33/09/05/902330905.db2.gz IGHSHBBOMPFFIO-LLVKDONJSA-N 1 3 294.399 -0.416 20 0 CBADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060346 902347804 /nfs/dbraw/zinc/34/78/04/902347804.db2.gz PTGZHVVTHRYWGV-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001402086129 902350334 /nfs/dbraw/zinc/35/03/34/902350334.db2.gz ZTWCPFANHGCVOQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001402086129 902350346 /nfs/dbraw/zinc/35/03/46/902350346.db2.gz ZTWCPFANHGCVOQ-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001402748852 902511287 /nfs/dbraw/zinc/51/12/87/902511287.db2.gz HAWYNZMVIPFHQI-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402752839 902514950 /nfs/dbraw/zinc/51/49/50/902514950.db2.gz CSSICOTXQZSMNH-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402752839 902514965 /nfs/dbraw/zinc/51/49/65/902514965.db2.gz CSSICOTXQZSMNH-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001402752550 902516468 /nfs/dbraw/zinc/51/64/68/902516468.db2.gz MWYYYIDRGHFNNN-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001402752550 902516477 /nfs/dbraw/zinc/51/64/77/902516477.db2.gz MWYYYIDRGHFNNN-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001402822150 902528723 /nfs/dbraw/zinc/52/87/23/902528723.db2.gz KFYZGHGYCGLDGD-SRVKXCTJSA-N 1 3 286.420 -0.069 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001402892148 902552033 /nfs/dbraw/zinc/55/20/33/902552033.db2.gz OBXLRGFICOLGCS-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001402892148 902552044 /nfs/dbraw/zinc/55/20/44/902552044.db2.gz OBXLRGFICOLGCS-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402888777 902552571 /nfs/dbraw/zinc/55/25/71/902552571.db2.gz OUQPJZISVWWMGK-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402888777 902552579 /nfs/dbraw/zinc/55/25/79/902552579.db2.gz OUQPJZISVWWMGK-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001402892149 902554080 /nfs/dbraw/zinc/55/40/80/902554080.db2.gz OBXLRGFICOLGCS-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001402892149 902554084 /nfs/dbraw/zinc/55/40/84/902554084.db2.gz OBXLRGFICOLGCS-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001403047623 902598253 /nfs/dbraw/zinc/59/82/53/902598253.db2.gz JYFMBHYITKWDNW-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057622 902602117 /nfs/dbraw/zinc/60/21/17/902602117.db2.gz CKLCOFNHRQQEBB-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001403107101 902616612 /nfs/dbraw/zinc/61/66/12/902616612.db2.gz RXUIPCMPECKQNZ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149939 902630794 /nfs/dbraw/zinc/63/07/94/902630794.db2.gz ZENRVVKEAIIXJI-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149939 902630807 /nfs/dbraw/zinc/63/08/07/902630807.db2.gz ZENRVVKEAIIXJI-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H](C)C(N)=O ZINC001403154055 902632847 /nfs/dbraw/zinc/63/28/47/902632847.db2.gz AZLBQFUAZBXKGA-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001403215281 902650055 /nfs/dbraw/zinc/65/00/55/902650055.db2.gz KLWZSFMXPYCZCE-NSHDSACASA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001403446903 902692017 /nfs/dbraw/zinc/69/20/17/902692017.db2.gz QDUFBFWVIOLCFZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001403558779 902734105 /nfs/dbraw/zinc/73/41/05/902734105.db2.gz AEGUAMCTGIZXNS-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCCC1 ZINC001403580362 902739238 /nfs/dbraw/zinc/73/92/38/902739238.db2.gz FKRRDRQLKARDIE-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593133 902745379 /nfs/dbraw/zinc/74/53/79/902745379.db2.gz DGACPEILLHNRPX-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001403601988 902748039 /nfs/dbraw/zinc/74/80/39/902748039.db2.gz ONXUTTDBZOTGCX-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001403751940 902837143 /nfs/dbraw/zinc/83/71/43/902837143.db2.gz NNBQQKMOHHFAIR-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001403764767 902844025 /nfs/dbraw/zinc/84/40/25/902844025.db2.gz YOPNCCOJMUAPIV-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1)N(C)C ZINC001403830737 902864386 /nfs/dbraw/zinc/86/43/86/902864386.db2.gz SPGQOGQEJRHZPU-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001404317533 902970114 /nfs/dbraw/zinc/97/01/14/902970114.db2.gz IGXYUMGIGKOCDX-UTUOFQBUSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001404317533 902970128 /nfs/dbraw/zinc/97/01/28/902970128.db2.gz IGXYUMGIGKOCDX-UTUOFQBUSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(N)=O ZINC001405248977 903131236 /nfs/dbraw/zinc/13/12/36/903131236.db2.gz IDLURTHCXVHEBE-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(N)=O ZINC001405248977 903131241 /nfs/dbraw/zinc/13/12/41/903131241.db2.gz IDLURTHCXVHEBE-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC ZINC001405287900 903139353 /nfs/dbraw/zinc/13/93/53/903139353.db2.gz JMPZJICIZBFZME-WCQYABFASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC ZINC001405298328 903141952 /nfs/dbraw/zinc/14/19/52/903141952.db2.gz JETTZKGGCUQYTC-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]CC(N)=O ZINC001405362309 903155492 /nfs/dbraw/zinc/15/54/92/903155492.db2.gz GFYXYYXTLRKWGE-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001405598331 903186667 /nfs/dbraw/zinc/18/66/67/903186667.db2.gz SNJJKGVJNIKQDN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001405598331 903186669 /nfs/dbraw/zinc/18/66/69/903186669.db2.gz SNJJKGVJNIKQDN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001405717566 903208346 /nfs/dbraw/zinc/20/83/46/903208346.db2.gz LFGBILWEXPMIAZ-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC[N@@H+]1C ZINC001405766406 903217802 /nfs/dbraw/zinc/21/78/02/903217802.db2.gz YELFPECYFYCJOM-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC[N@H+]1C ZINC001405766406 903217815 /nfs/dbraw/zinc/21/78/15/903217815.db2.gz YELFPECYFYCJOM-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](F)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293130 903344293 /nfs/dbraw/zinc/34/42/93/903344293.db2.gz ZGYIMIYVDFXILE-NWDGAFQWSA-N 1 3 287.379 -0.103 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC[NH+](C)C ZINC001406334855 903361239 /nfs/dbraw/zinc/36/12/39/903361239.db2.gz WAMCZIQKJFRTIS-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001406406459 903391102 /nfs/dbraw/zinc/39/11/02/903391102.db2.gz SWLBVEZOJQPDAM-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001406398414 903391903 /nfs/dbraw/zinc/39/19/03/903391903.db2.gz GKFIHMXPSYQRJC-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406424146 903400559 /nfs/dbraw/zinc/40/05/59/903400559.db2.gz UYSJIYSIXXUYKU-ZYHUDNBSSA-N 1 3 272.393 -0.587 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406429501 903400744 /nfs/dbraw/zinc/40/07/44/903400744.db2.gz HVXPBSLKSVYJOT-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406429501 903400747 /nfs/dbraw/zinc/40/07/47/903400747.db2.gz HVXPBSLKSVYJOT-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001406780427 903480263 /nfs/dbraw/zinc/48/02/63/903480263.db2.gz PYSVDRDVIYTTFI-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@@H](C)NC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001407000148 903524691 /nfs/dbraw/zinc/52/46/91/903524691.db2.gz PDJDJGHFNDNOSO-NEPJUHHUSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001407113624 903545923 /nfs/dbraw/zinc/54/59/23/903545923.db2.gz WDIKCVHWEDKSOK-JSGCOSHPSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407111680 903546197 /nfs/dbraw/zinc/54/61/97/903546197.db2.gz SYUDUSZVPNITCJ-NSHDSACASA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347236 903573389 /nfs/dbraw/zinc/57/33/89/903573389.db2.gz MJTSHZVWWCUTQU-IUODEOHRSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347236 903573400 /nfs/dbraw/zinc/57/34/00/903573400.db2.gz MJTSHZVWWCUTQU-IUODEOHRSA-N 1 3 299.415 -0.596 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407365103 903581082 /nfs/dbraw/zinc/58/10/82/903581082.db2.gz NTVHUJJMCKVALU-ZDUSSCGKSA-N 1 3 273.377 -0.863 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407535104 903625014 /nfs/dbraw/zinc/62/50/14/903625014.db2.gz JSURKWIBKBAJOK-NXEZZACHSA-N 1 3 279.344 -0.736 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001408278549 903741684 /nfs/dbraw/zinc/74/16/84/903741684.db2.gz IVEHUHGLIGYDDT-UHFFFAOYSA-N 1 3 287.404 -0.736 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001408278549 903741692 /nfs/dbraw/zinc/74/16/92/903741692.db2.gz IVEHUHGLIGYDDT-UHFFFAOYSA-N 1 3 287.404 -0.736 20 0 CBADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NCC(N)=O ZINC001409443710 903903191 /nfs/dbraw/zinc/90/31/91/903903191.db2.gz CIDZESMWXFANJT-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)CCn1cncn1 ZINC001409618141 903943482 /nfs/dbraw/zinc/94/34/82/903943482.db2.gz BVLNUUOTMVYYTK-GFCCVEGCSA-N 1 3 282.392 -0.334 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001410526836 904112647 /nfs/dbraw/zinc/11/26/47/904112647.db2.gz XUOYZWSQLFPNFI-MNOVXSKESA-N 1 3 272.393 -0.363 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001410618082 904143150 /nfs/dbraw/zinc/14/31/50/904143150.db2.gz GVRCFPINJQMITA-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@H]2CCOC2)CCC1 ZINC001410652227 904150937 /nfs/dbraw/zinc/15/09/37/904150937.db2.gz JDLVKZHITVPNQZ-CHWSQXEVSA-N 1 3 299.415 -0.426 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410888178 904199878 /nfs/dbraw/zinc/19/98/78/904199878.db2.gz RMMAYQWATAAMRE-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001411217474 904260876 /nfs/dbraw/zinc/26/08/76/904260876.db2.gz ZTNWYDCZNJWPSL-IJLUTSLNSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC[N@H+]1C ZINC001411217474 904260889 /nfs/dbraw/zinc/26/08/89/904260889.db2.gz ZTNWYDCZNJWPSL-IJLUTSLNSA-N 1 3 298.431 -0.068 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001411254432 904272683 /nfs/dbraw/zinc/27/26/83/904272683.db2.gz YRRQPZWUBQYHEH-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001412835604 904749693 /nfs/dbraw/zinc/74/96/93/904749693.db2.gz FLVABWHUHQMBTM-UKRRQHHQSA-N 1 3 298.431 -0.805 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001415259144 905595204 /nfs/dbraw/zinc/59/52/04/905595204.db2.gz VKANGTCKJRCKIM-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001417766124 906040887 /nfs/dbraw/zinc/04/08/87/906040887.db2.gz YMNDDSUTDSPZGP-PHIMTYICSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001417775940 906048790 /nfs/dbraw/zinc/04/87/90/906048790.db2.gz VUGFYXZALYENKP-TXEJJXNPSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001417788584 906051565 /nfs/dbraw/zinc/05/15/65/906051565.db2.gz XJXBLMVFJSNEPA-FDYHWXHSSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001417814932 906057883 /nfs/dbraw/zinc/05/78/83/906057883.db2.gz QCQQKQFYLMMRQB-AGIUHOORSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001417814932 906057901 /nfs/dbraw/zinc/05/79/01/906057901.db2.gz QCQQKQFYLMMRQB-AGIUHOORSA-N 1 3 296.415 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001418046025 906143836 /nfs/dbraw/zinc/14/38/36/906143836.db2.gz RBFQWTWXCCDJTA-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001418045025 906145602 /nfs/dbraw/zinc/14/56/02/906145602.db2.gz VDXDTRNKLDLZOE-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001418045025 906145605 /nfs/dbraw/zinc/14/56/05/906145605.db2.gz VDXDTRNKLDLZOE-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001418043562 906145770 /nfs/dbraw/zinc/14/57/70/906145770.db2.gz BGHVNEDIHGHZCO-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001418043562 906145774 /nfs/dbraw/zinc/14/57/74/906145774.db2.gz BGHVNEDIHGHZCO-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001418267815 906246759 /nfs/dbraw/zinc/24/67/59/906246759.db2.gz SXKJEXFBGRMDBJ-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC1CC1 ZINC001418264424 906248341 /nfs/dbraw/zinc/24/83/41/906248341.db2.gz CIARNDMINUDUJT-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001418264646 906248377 /nfs/dbraw/zinc/24/83/77/906248377.db2.gz CVFAPYPFZAKBMH-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001418272456 906252707 /nfs/dbraw/zinc/25/27/07/906252707.db2.gz CFSJXMZHMHVDPF-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001418814234 906483896 /nfs/dbraw/zinc/48/38/96/906483896.db2.gz XPVYNRMCGWUFHM-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](O)CN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419093416 906598636 /nfs/dbraw/zinc/59/86/36/906598636.db2.gz DMTMZXCVQBURBZ-QWHCGFSZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419190778 906634767 /nfs/dbraw/zinc/63/47/67/906634767.db2.gz FMFFRXXYBHWZNG-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001419367388 906670754 /nfs/dbraw/zinc/67/07/54/906670754.db2.gz RPCFZCYUZVLNAX-RWMBFGLXSA-N 1 3 296.415 -0.252 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001419387426 906673571 /nfs/dbraw/zinc/67/35/71/906673571.db2.gz UBCCBMUEGPVZGZ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001419465071 906694167 /nfs/dbraw/zinc/69/41/67/906694167.db2.gz DDYZTOGIXOMTFM-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)C(N)=O ZINC001419625865 906741683 /nfs/dbraw/zinc/74/16/83/906741683.db2.gz QLOAWRDTACBODW-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001419667102 906760490 /nfs/dbraw/zinc/76/04/90/906760490.db2.gz MPRLLIWURBWNLJ-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001419679938 906764551 /nfs/dbraw/zinc/76/45/51/906764551.db2.gz IRTAIMLNGSZIIM-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001419700472 906772357 /nfs/dbraw/zinc/77/23/57/906772357.db2.gz AEOVNALRTXOWME-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419848594 906830955 /nfs/dbraw/zinc/83/09/55/906830955.db2.gz JQIGSPMCXPRKIY-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419848575 906833403 /nfs/dbraw/zinc/83/34/03/906833403.db2.gz JQIGSPMCXPRKIY-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001419857479 906835699 /nfs/dbraw/zinc/83/56/99/906835699.db2.gz YFQGBSAVIMMOSC-MNOVXSKESA-N 1 3 286.420 -0.068 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001419928676 906860923 /nfs/dbraw/zinc/86/09/23/906860923.db2.gz AGAXGJBNXYMRFV-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001419943358 906865113 /nfs/dbraw/zinc/86/51/13/906865113.db2.gz YXEBOWAWNWRNFF-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001419976055 906881252 /nfs/dbraw/zinc/88/12/52/906881252.db2.gz SNDLVJQGMIDWND-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419967726 906882490 /nfs/dbraw/zinc/88/24/90/906882490.db2.gz FIPNLHUPYKBUAW-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419986615 906883695 /nfs/dbraw/zinc/88/36/95/906883695.db2.gz FBSDIVHUXJSDQP-DGCLKSJQSA-N 1 3 296.371 -0.602 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001420187520 907000067 /nfs/dbraw/zinc/00/00/67/907000067.db2.gz FQUXOWIMQRZTHO-MNOVXSKESA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001420187520 907000089 /nfs/dbraw/zinc/00/00/89/907000089.db2.gz FQUXOWIMQRZTHO-MNOVXSKESA-N 1 3 298.412 -0.339 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420219258 907028284 /nfs/dbraw/zinc/02/82/84/907028284.db2.gz VSBOLCNBCVUYGV-ZIAGYGMSSA-N 1 3 299.415 -0.617 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1CCCN1C ZINC001420245707 907043490 /nfs/dbraw/zinc/04/34/90/907043490.db2.gz YEGDGKMSKMLYIT-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001420333913 907110383 /nfs/dbraw/zinc/11/03/83/907110383.db2.gz JTNKPADETBPPRZ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001420457990 907169438 /nfs/dbraw/zinc/16/94/38/907169438.db2.gz PODCIIQNNUILJP-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420458512 907170486 /nfs/dbraw/zinc/17/04/86/907170486.db2.gz QMFURWQETAAVDB-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420509684 907186032 /nfs/dbraw/zinc/18/60/32/907186032.db2.gz FLNDBURUDKBBPC-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420509684 907186042 /nfs/dbraw/zinc/18/60/42/907186042.db2.gz FLNDBURUDKBBPC-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001420520901 907194080 /nfs/dbraw/zinc/19/40/80/907194080.db2.gz XCQXLYHNLBOLAA-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC[NH+](C)C ZINC001420615813 907240926 /nfs/dbraw/zinc/24/09/26/907240926.db2.gz IZFGKWMSMLQWOT-GFCCVEGCSA-N 1 3 282.392 -0.334 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001420731201 907285782 /nfs/dbraw/zinc/28/57/82/907285782.db2.gz BXOYWAHXEJGMDE-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)NCC1([NH2+]CCn2cncn2)CC1)N(C)C ZINC001420994837 907388436 /nfs/dbraw/zinc/38/84/36/907388436.db2.gz LNAFNJFPGNJJKT-LBPRGKRZSA-N 1 3 294.403 -0.143 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC ZINC001421439165 907548796 /nfs/dbraw/zinc/54/87/96/907548796.db2.gz DRLHHJWHWMALKE-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483269 907563089 /nfs/dbraw/zinc/56/30/89/907563089.db2.gz AHJJQHNLRVXVKE-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483269 907563103 /nfs/dbraw/zinc/56/31/03/907563103.db2.gz AHJJQHNLRVXVKE-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](O)CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626451 907595250 /nfs/dbraw/zinc/59/52/50/907595250.db2.gz QVOPIWCADPCGJX-OCCSQVGLSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@H](O)CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626446 907596233 /nfs/dbraw/zinc/59/62/33/907596233.db2.gz QVOPIWCADPCGJX-JSGCOSHPSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001421659545 907603438 /nfs/dbraw/zinc/60/34/38/907603438.db2.gz SLPYUARCSZHKME-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001421708149 907621061 /nfs/dbraw/zinc/62/10/61/907621061.db2.gz RVGLLLPVGOGVES-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001421915162 907676752 /nfs/dbraw/zinc/67/67/52/907676752.db2.gz VWICLBLZWACQQH-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001421940642 907685643 /nfs/dbraw/zinc/68/56/43/907685643.db2.gz IRTAIMLNGSZIIM-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945187 907688150 /nfs/dbraw/zinc/68/81/50/907688150.db2.gz ZOGRZWTZEUESHE-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001421979945 907694477 /nfs/dbraw/zinc/69/44/77/907694477.db2.gz HUSDLSNKUJAHRM-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421992750 907697925 /nfs/dbraw/zinc/69/79/25/907697925.db2.gz PRUFCXUCQJOOBD-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421992750 907697932 /nfs/dbraw/zinc/69/79/32/907697932.db2.gz PRUFCXUCQJOOBD-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421989660 907697962 /nfs/dbraw/zinc/69/79/62/907697962.db2.gz MESHZSYHLMAUSJ-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421989660 907697968 /nfs/dbraw/zinc/69/79/68/907697968.db2.gz MESHZSYHLMAUSJ-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421989654 907699805 /nfs/dbraw/zinc/69/98/05/907699805.db2.gz MESHZSYHLMAUSJ-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421989654 907699815 /nfs/dbraw/zinc/69/98/15/907699815.db2.gz MESHZSYHLMAUSJ-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422019754 907701250 /nfs/dbraw/zinc/70/12/50/907701250.db2.gz QRYXWTDIEPSFBU-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422019754 907701259 /nfs/dbraw/zinc/70/12/59/907701259.db2.gz QRYXWTDIEPSFBU-RYUDHWBXSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422019753 907701985 /nfs/dbraw/zinc/70/19/85/907701985.db2.gz QRYXWTDIEPSFBU-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422019753 907701996 /nfs/dbraw/zinc/70/19/96/907701996.db2.gz QRYXWTDIEPSFBU-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001422128097 907720039 /nfs/dbraw/zinc/72/00/39/907720039.db2.gz BQPLCDQUPFHNJK-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390309 907839906 /nfs/dbraw/zinc/83/99/06/907839906.db2.gz QYIWUZNDRGELRG-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422389285 907840410 /nfs/dbraw/zinc/84/04/10/907840410.db2.gz IHRQVXYTJFSDAK-MWLCHTKSSA-N 1 3 284.360 -0.638 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001422449179 907861310 /nfs/dbraw/zinc/86/13/10/907861310.db2.gz JQLCFNCCTGVAJN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001422504215 907897202 /nfs/dbraw/zinc/89/72/02/907897202.db2.gz GGAAAMLQIXVMBT-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)NC)C1 ZINC001422543892 907915889 /nfs/dbraw/zinc/91/58/89/907915889.db2.gz MDODZLYIABPXAZ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)NC)C1 ZINC001422543892 907915900 /nfs/dbraw/zinc/91/59/00/907915900.db2.gz MDODZLYIABPXAZ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001422552597 907918392 /nfs/dbraw/zinc/91/83/92/907918392.db2.gz MXLSICRUBXUYGV-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422616479 907945701 /nfs/dbraw/zinc/94/57/01/907945701.db2.gz OVGGQJSAIZZPCN-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422616479 907945713 /nfs/dbraw/zinc/94/57/13/907945713.db2.gz OVGGQJSAIZZPCN-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001422707449 907978650 /nfs/dbraw/zinc/97/86/50/907978650.db2.gz OIJWAKRWCOAKHV-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001422729144 907989428 /nfs/dbraw/zinc/98/94/28/907989428.db2.gz HAUHQBFPWWVWTN-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001502591613 921372647 /nfs/dbraw/zinc/37/26/47/921372647.db2.gz CLNWNMKOWBCOKY-FZMZJTMJSA-N 1 3 296.371 -0.724 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001423039960 908085828 /nfs/dbraw/zinc/08/58/28/908085828.db2.gz GXJWDXCSKRTQHL-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001423039960 908085844 /nfs/dbraw/zinc/08/58/44/908085844.db2.gz GXJWDXCSKRTQHL-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO NC(=O)CNC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001423062137 908093412 /nfs/dbraw/zinc/09/34/12/908093412.db2.gz PKLICZIMBYJZHX-CYBMUJFWSA-N 1 3 296.415 -0.168 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423167500 908125891 /nfs/dbraw/zinc/12/58/91/908125891.db2.gz NIBDOZKTEAZAQR-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502738474 921386667 /nfs/dbraw/zinc/38/66/67/921386667.db2.gz PALGFESRVLCHNK-WCQYABFASA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001423332090 908205163 /nfs/dbraw/zinc/20/51/63/908205163.db2.gz VLCYVGCAJFYOQD-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423332077 908208545 /nfs/dbraw/zinc/20/85/45/908208545.db2.gz VKOACPGFGAKGGJ-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348600 908209532 /nfs/dbraw/zinc/20/95/32/908209532.db2.gz JOMJERBJLRFTEJ-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348603 908210175 /nfs/dbraw/zinc/21/01/75/908210175.db2.gz JOMJERBJLRFTEJ-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001423451822 908242584 /nfs/dbraw/zinc/24/25/84/908242584.db2.gz MUSKXEBSGXHUNM-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001423472615 908248036 /nfs/dbraw/zinc/24/80/36/908248036.db2.gz CVRSSWJVLTVLAC-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)CC[NH+](C)C ZINC001423464047 908248377 /nfs/dbraw/zinc/24/83/77/908248377.db2.gz DTVUKDDNHDIKTI-CQSZACIVSA-N 1 3 294.399 -0.058 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001423967939 908378009 /nfs/dbraw/zinc/37/80/09/908378009.db2.gz XRIIKJTZVWLSLE-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424408306 908454418 /nfs/dbraw/zinc/45/44/18/908454418.db2.gz IRGSZQSKGHOMLF-HIFRSBDPSA-N 1 3 299.415 -0.736 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001424480576 908462647 /nfs/dbraw/zinc/46/26/47/908462647.db2.gz NMCGXKSSYDDYQN-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]([NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001424722331 908494012 /nfs/dbraw/zinc/49/40/12/908494012.db2.gz AABFXNVGOCCRHD-UNXYVOJBSA-N 1 3 296.415 -0.171 20 0 CBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424793190 908509483 /nfs/dbraw/zinc/50/94/83/908509483.db2.gz SLVOERWMPVKCGI-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO COCCN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001505387923 921417929 /nfs/dbraw/zinc/41/79/29/921417929.db2.gz ZDMSESFKKJWQIT-UHFFFAOYSA-N 1 3 287.404 -0.472 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001425683374 908688487 /nfs/dbraw/zinc/68/84/87/908688487.db2.gz NPCDEEFGSYIZGF-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001425681597 908690002 /nfs/dbraw/zinc/69/00/02/908690002.db2.gz NEPSVPJIPCKYAQ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001425909330 908779975 /nfs/dbraw/zinc/77/99/75/908779975.db2.gz ZSSRLOFBIHLWPJ-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001426238189 908850685 /nfs/dbraw/zinc/85/06/85/908850685.db2.gz KKLSASWJPYIKQG-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001431496525 909484067 /nfs/dbraw/zinc/48/40/67/909484067.db2.gz RRUWPZDIHXBIHU-UHFFFAOYSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCO ZINC001505920456 921500418 /nfs/dbraw/zinc/50/04/18/921500418.db2.gz NAKHRJYNJICUCS-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001436347486 910432348 /nfs/dbraw/zinc/43/23/48/910432348.db2.gz SDBPEXUVUCAKLA-TXEJJXNPSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001436378216 910437976 /nfs/dbraw/zinc/43/79/76/910437976.db2.gz KVORFJCNBZOZLK-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001436950741 910518703 /nfs/dbraw/zinc/51/87/03/910518703.db2.gz FVCSVXDUMREBCA-TUAOUCFPSA-N 1 3 296.415 -0.029 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001437263172 910604056 /nfs/dbraw/zinc/60/40/56/910604056.db2.gz ROMIWKQXJWBJAW-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001437263172 910604063 /nfs/dbraw/zinc/60/40/63/910604063.db2.gz ROMIWKQXJWBJAW-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437277045 910607552 /nfs/dbraw/zinc/60/75/52/910607552.db2.gz NRONAPNZQCLWPX-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437277045 910607561 /nfs/dbraw/zinc/60/75/61/910607561.db2.gz NRONAPNZQCLWPX-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437277005 910607614 /nfs/dbraw/zinc/60/76/14/910607614.db2.gz NRONAPNZQCLWPX-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437277005 910607620 /nfs/dbraw/zinc/60/76/20/910607620.db2.gz NRONAPNZQCLWPX-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001437316524 910612296 /nfs/dbraw/zinc/61/22/96/910612296.db2.gz QJEYESPQUCZGHW-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001437829465 910757663 /nfs/dbraw/zinc/75/76/63/910757663.db2.gz JBFNHSKZTDVYRY-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001437828868 910757866 /nfs/dbraw/zinc/75/78/66/910757866.db2.gz OCXITXKQPQUBTI-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCN1C ZINC001437828867 910757985 /nfs/dbraw/zinc/75/79/85/910757985.db2.gz OCXITXKQPQUBTI-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001437952042 910782957 /nfs/dbraw/zinc/78/29/57/910782957.db2.gz YYWZOIYQJDZDMF-QWHCGFSZSA-N 1 3 296.415 -0.488 20 0 CBADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437952042 910782967 /nfs/dbraw/zinc/78/29/67/910782967.db2.gz YYWZOIYQJDZDMF-QWHCGFSZSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(N)=O ZINC001438345900 910883978 /nfs/dbraw/zinc/88/39/78/910883978.db2.gz MKARVVXXBKPTMG-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001438527506 910911519 /nfs/dbraw/zinc/91/15/19/910911519.db2.gz GHMLPCYEZHELQI-RYUDHWBXSA-N 1 3 284.404 -0.584 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN1CCCC1 ZINC001438725849 910963650 /nfs/dbraw/zinc/96/36/50/910963650.db2.gz XBVSFTBRMZYLLN-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001439017459 911055478 /nfs/dbraw/zinc/05/54/78/911055478.db2.gz GBRJYNVOXSVMHV-NWDGAFQWSA-N 1 3 289.420 -0.588 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439120063 911111142 /nfs/dbraw/zinc/11/11/42/911111142.db2.gz OUOWVWHIOXMHQW-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001439152328 911120937 /nfs/dbraw/zinc/12/09/37/911120937.db2.gz HWVDFQQKUYJVNP-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001439151338 911121004 /nfs/dbraw/zinc/12/10/04/911121004.db2.gz CXGSEKAWQRPBID-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001439164874 911126317 /nfs/dbraw/zinc/12/63/17/911126317.db2.gz ZFMYPSDGNLPMOD-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001439164874 911126322 /nfs/dbraw/zinc/12/63/22/911126322.db2.gz ZFMYPSDGNLPMOD-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001506896952 921637041 /nfs/dbraw/zinc/63/70/41/921637041.db2.gz DZOAOAGCHOGZEC-RNJOBUHISA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439282895 911166053 /nfs/dbraw/zinc/16/60/53/911166053.db2.gz OVGGQJSAIZZPCN-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439282895 911166061 /nfs/dbraw/zinc/16/60/61/911166061.db2.gz OVGGQJSAIZZPCN-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001439850053 911303121 /nfs/dbraw/zinc/30/31/21/911303121.db2.gz LCYCHDRIFANUHH-CQSZACIVSA-N 1 3 294.403 -0.190 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001440374928 911440037 /nfs/dbraw/zinc/44/00/37/911440037.db2.gz LBGIJHHLJQGUML-TZMCWYRMSA-N 1 3 299.415 -0.332 20 0 CBADHO COCCN1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001440701426 911494949 /nfs/dbraw/zinc/49/49/49/911494949.db2.gz BVIJAQHCXBYJNK-ZDUSSCGKSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001440701426 911494956 /nfs/dbraw/zinc/49/49/56/911494956.db2.gz BVIJAQHCXBYJNK-ZDUSSCGKSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001440816643 911519359 /nfs/dbraw/zinc/51/93/59/911519359.db2.gz IGLMJOZLTCHDMA-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001440863468 911534412 /nfs/dbraw/zinc/53/44/12/911534412.db2.gz WCXGZBFDYWQQKF-MNOVXSKESA-N 1 3 272.393 -0.445 20 0 CBADHO CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248383 911631136 /nfs/dbraw/zinc/63/11/36/911631136.db2.gz AURWNADTJBHWLN-QWHCGFSZSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248383 911631145 /nfs/dbraw/zinc/63/11/45/911631145.db2.gz AURWNADTJBHWLN-QWHCGFSZSA-N 1 3 296.415 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001441300154 911640821 /nfs/dbraw/zinc/64/08/21/911640821.db2.gz NPDPEVRQHJDYAI-LLVKDONJSA-N 1 3 270.377 -0.704 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507125608 921684041 /nfs/dbraw/zinc/68/40/41/921684041.db2.gz ITAUUEXTWSGQFA-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507125608 921684048 /nfs/dbraw/zinc/68/40/48/921684048.db2.gz ITAUUEXTWSGQFA-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001441532437 911699473 /nfs/dbraw/zinc/69/94/73/911699473.db2.gz FZCGRFURLQVMLR-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)N(C)C ZINC001507123539 921686022 /nfs/dbraw/zinc/68/60/22/921686022.db2.gz PXAMNVPJPPNFRM-UWVGGRQHSA-N 1 3 258.366 -0.752 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001441838554 911828722 /nfs/dbraw/zinc/82/87/22/911828722.db2.gz GOQYNWCXBCKMBT-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834514 911830071 /nfs/dbraw/zinc/83/00/71/911830071.db2.gz IYALBBHURLGEQC-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001441836783 911830145 /nfs/dbraw/zinc/83/01/45/911830145.db2.gz CYOPHNMTDVVPEU-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845739 911835050 /nfs/dbraw/zinc/83/50/50/911835050.db2.gz YYGXFXNKXSOQMX-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001441938724 911857557 /nfs/dbraw/zinc/85/75/57/911857557.db2.gz JGTDZSDSDXUYQZ-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936972 911861021 /nfs/dbraw/zinc/86/10/21/911861021.db2.gz QLNLDLHSQIYBCY-RYUDHWBXSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936972 911861033 /nfs/dbraw/zinc/86/10/33/911861033.db2.gz QLNLDLHSQIYBCY-RYUDHWBXSA-N 1 3 296.415 -0.489 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001441951740 911867549 /nfs/dbraw/zinc/86/75/49/911867549.db2.gz YDJAINIVIJGMFJ-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001442052735 911911326 /nfs/dbraw/zinc/91/13/26/911911326.db2.gz PQEPVCNMFKQCIF-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001442052735 911911332 /nfs/dbraw/zinc/91/13/32/911911332.db2.gz PQEPVCNMFKQCIF-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174304 911948393 /nfs/dbraw/zinc/94/83/93/911948393.db2.gz KSGRFTYIPJNBDU-WDEREUQCSA-N 1 3 284.404 -0.456 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174304 911948406 /nfs/dbraw/zinc/94/84/06/911948406.db2.gz KSGRFTYIPJNBDU-WDEREUQCSA-N 1 3 284.404 -0.456 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001442251400 911955799 /nfs/dbraw/zinc/95/57/99/911955799.db2.gz ZKJDZJCMRFQQRI-HIFPTAJRSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001443084586 912151494 /nfs/dbraw/zinc/15/14/94/912151494.db2.gz JDXDIGOVKFOJTA-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443098297 912156882 /nfs/dbraw/zinc/15/68/82/912156882.db2.gz WPHXGISTOXUVMF-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443098297 912156895 /nfs/dbraw/zinc/15/68/95/912156895.db2.gz WPHXGISTOXUVMF-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001443108388 912160705 /nfs/dbraw/zinc/16/07/05/912160705.db2.gz ZNWWXDUIVHMWSU-LLVKDONJSA-N 1 3 280.372 -0.981 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001443116946 912161865 /nfs/dbraw/zinc/16/18/65/912161865.db2.gz KMPIGCXAPGDOOI-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107891 912162653 /nfs/dbraw/zinc/16/26/53/912162653.db2.gz ZIMNCNABPGZJQE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107891 912162664 /nfs/dbraw/zinc/16/26/64/912162664.db2.gz ZIMNCNABPGZJQE-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314997 912185316 /nfs/dbraw/zinc/18/53/16/912185316.db2.gz AUNFPVBRXNXVTE-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO Cc1nccn1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001465079307 915035883 /nfs/dbraw/zinc/03/58/83/915035883.db2.gz DJTQEQTZYQYDEB-LBPRGKRZSA-N 1 3 265.361 -0.446 20 0 CBADHO Cc1nccn1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001465079307 915035902 /nfs/dbraw/zinc/03/59/02/915035902.db2.gz DJTQEQTZYQYDEB-LBPRGKRZSA-N 1 3 265.361 -0.446 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](CO)NCCC(F)(F)F ZINC001507231737 921764758 /nfs/dbraw/zinc/76/47/58/921764758.db2.gz JJDRWFYGKHJLPU-SECBINFHSA-N 1 3 285.310 -0.043 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001507298093 921803005 /nfs/dbraw/zinc/80/30/05/921803005.db2.gz PIDPGKPXOXRUIG-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H](CNS(C)(=O)=O)NC1CC[NH+](C)CC1 ZINC001474532463 915895908 /nfs/dbraw/zinc/89/59/08/915895908.db2.gz WBFPHLHZQXMBGO-JTQLQIEISA-N 1 3 263.407 -0.002 20 0 CBADHO C[C@@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)CC[NH+](C)C ZINC001507317454 921807908 /nfs/dbraw/zinc/80/79/08/921807908.db2.gz GXAAKFKMSRJAMR-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001479320880 916120108 /nfs/dbraw/zinc/12/01/08/916120108.db2.gz HQJDWVLEDAJRRV-RWMBFGLXSA-N 1 3 296.415 -0.441 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001480168802 916317781 /nfs/dbraw/zinc/31/77/81/916317781.db2.gz YYUOLWNUZHGSPN-DCAQKATOSA-N 1 3 270.377 -0.561 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001480168803 916318232 /nfs/dbraw/zinc/31/82/32/916318232.db2.gz YYUOLWNUZHGSPN-GMTAPVOTSA-N 1 3 270.377 -0.561 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001480233582 916339609 /nfs/dbraw/zinc/33/96/09/916339609.db2.gz HJRZMOLBDAMEGY-SDDRHHMPSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480478478 916432183 /nfs/dbraw/zinc/43/21/83/916432183.db2.gz ZFMBAHVHFIQFPU-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530440 916458709 /nfs/dbraw/zinc/45/87/09/916458709.db2.gz GVTNOALBTJORLX-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N(C)C ZINC001480528685 916460070 /nfs/dbraw/zinc/46/00/70/916460070.db2.gz XXZUWYZNWQOAQS-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571559 916477711 /nfs/dbraw/zinc/47/77/11/916477711.db2.gz INXUFLMYFLYNLD-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571559 916477715 /nfs/dbraw/zinc/47/77/15/916477715.db2.gz INXUFLMYFLYNLD-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001480566940 916478025 /nfs/dbraw/zinc/47/80/25/916478025.db2.gz XNMLNROQTSCUHP-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001480566940 916478032 /nfs/dbraw/zinc/47/80/32/916478032.db2.gz XNMLNROQTSCUHP-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001480566939 916479225 /nfs/dbraw/zinc/47/92/25/916479225.db2.gz XNMLNROQTSCUHP-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001480566939 916479241 /nfs/dbraw/zinc/47/92/41/916479241.db2.gz XNMLNROQTSCUHP-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001480576665 916482166 /nfs/dbraw/zinc/48/21/66/916482166.db2.gz KAPUAKUXFCDRHE-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCC(N)=O ZINC001480596187 916486272 /nfs/dbraw/zinc/48/62/72/916486272.db2.gz IRSBUOBCIPAUOT-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CN(CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001480615806 916497507 /nfs/dbraw/zinc/49/75/07/916497507.db2.gz CJOKJMMDLZRYQS-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480621967 916499307 /nfs/dbraw/zinc/49/93/07/916499307.db2.gz IRVDIJAPPVEBTI-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480621967 916499315 /nfs/dbraw/zinc/49/93/15/916499315.db2.gz IRVDIJAPPVEBTI-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001480638914 916507089 /nfs/dbraw/zinc/50/70/89/916507089.db2.gz XLOKUSFEHNSMCN-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001480649059 916510532 /nfs/dbraw/zinc/51/05/32/916510532.db2.gz RUDJDRGXLCUPGR-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480665719 916514722 /nfs/dbraw/zinc/51/47/22/916514722.db2.gz LTDOCIJGQRJTIR-LLVKDONJSA-N 1 3 293.371 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001480813487 916547885 /nfs/dbraw/zinc/54/78/85/916547885.db2.gz HKXLWHHTRXIDFD-JTQLQIEISA-N 1 3 258.366 -0.704 20 0 CBADHO CN(C)C1(C(=O)NCC[N@H+](C)CCCO)CCC1 ZINC001480872538 916591680 /nfs/dbraw/zinc/59/16/80/916591680.db2.gz BPNKMUJXFSHOKV-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCCO)CCC1 ZINC001480872538 916591688 /nfs/dbraw/zinc/59/16/88/916591688.db2.gz BPNKMUJXFSHOKV-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(CCCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480934920 916641687 /nfs/dbraw/zinc/64/16/87/916641687.db2.gz IIPJMYXDYFLUGS-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CN(CCCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480934920 916641700 /nfs/dbraw/zinc/64/17/00/916641700.db2.gz IIPJMYXDYFLUGS-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481228880 916776013 /nfs/dbraw/zinc/77/60/13/916776013.db2.gz KOEZPEGLHRNECM-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481228880 916776028 /nfs/dbraw/zinc/77/60/28/916776028.db2.gz KOEZPEGLHRNECM-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314448 916812685 /nfs/dbraw/zinc/81/26/85/916812685.db2.gz GIQLMQRDKAOUND-GFCCVEGCSA-N 1 3 279.388 -0.080 20 0 CBADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314448 916812690 /nfs/dbraw/zinc/81/26/90/916812690.db2.gz GIQLMQRDKAOUND-GFCCVEGCSA-N 1 3 279.388 -0.080 20 0 CBADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314449 916816001 /nfs/dbraw/zinc/81/60/01/916816001.db2.gz GIQLMQRDKAOUND-LBPRGKRZSA-N 1 3 279.388 -0.080 20 0 CBADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314449 916816019 /nfs/dbraw/zinc/81/60/19/916816019.db2.gz GIQLMQRDKAOUND-LBPRGKRZSA-N 1 3 279.388 -0.080 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001481478714 916843786 /nfs/dbraw/zinc/84/37/86/916843786.db2.gz AOGSXSROFCDLAK-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001481478714 916843796 /nfs/dbraw/zinc/84/37/96/916843796.db2.gz AOGSXSROFCDLAK-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482063211 917038865 /nfs/dbraw/zinc/03/88/65/917038865.db2.gz ZCOMOKKIYVUKHC-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482063211 917038878 /nfs/dbraw/zinc/03/88/78/917038878.db2.gz ZCOMOKKIYVUKHC-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353708 917133951 /nfs/dbraw/zinc/13/39/51/917133951.db2.gz KMLSGXIVHYFVGV-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353708 917133966 /nfs/dbraw/zinc/13/39/66/917133966.db2.gz KMLSGXIVHYFVGV-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)C[C@H](CN[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001482394196 917143242 /nfs/dbraw/zinc/14/32/42/917143242.db2.gz OIFFHKZBNUHXAE-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CCCO)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482648955 917196357 /nfs/dbraw/zinc/19/63/57/917196357.db2.gz CJSPBMYFTHJGLS-LBPRGKRZSA-N 1 3 257.378 -0.289 20 0 CBADHO CN(CCCO)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482648955 917196362 /nfs/dbraw/zinc/19/63/62/917196362.db2.gz CJSPBMYFTHJGLS-LBPRGKRZSA-N 1 3 257.378 -0.289 20 0 CBADHO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482840654 917310066 /nfs/dbraw/zinc/31/00/66/917310066.db2.gz YFXWPOQAJOTZKW-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001482840645 917311066 /nfs/dbraw/zinc/31/10/66/917311066.db2.gz YCOUDFUPFQXOJX-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001482875756 917322533 /nfs/dbraw/zinc/32/25/33/917322533.db2.gz ZALKRSBODDUDBQ-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001482901022 917329410 /nfs/dbraw/zinc/32/94/10/917329410.db2.gz IKIJTILJHAKHSS-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966707 917350161 /nfs/dbraw/zinc/35/01/61/917350161.db2.gz HETCYOAMKGFOFX-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966707 917350177 /nfs/dbraw/zinc/35/01/77/917350177.db2.gz HETCYOAMKGFOFX-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966710 917351885 /nfs/dbraw/zinc/35/18/85/917351885.db2.gz HETCYOAMKGFOFX-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966710 917351898 /nfs/dbraw/zinc/35/18/98/917351898.db2.gz HETCYOAMKGFOFX-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053199 917389909 /nfs/dbraw/zinc/38/99/09/917389909.db2.gz CFFYOOFTXQTMAF-NNNHXZLVSA-N 1 3 284.404 -0.323 20 0 CBADHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@H]2CCNC2=O)CC1 ZINC001483053820 917393440 /nfs/dbraw/zinc/39/34/40/917393440.db2.gz HSBACCQSSBLBKW-ZRMMWKCHSA-N 1 3 294.399 -0.521 20 0 CBADHO C[NH+]1CCC(C(=O)NC/C=C/CN[C@@H]2CCNC2=O)CC1 ZINC001483053819 917393903 /nfs/dbraw/zinc/39/39/03/917393903.db2.gz HSBACCQSSBLBKW-YWVDXFKGSA-N 1 3 294.399 -0.521 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001483237223 917485380 /nfs/dbraw/zinc/48/53/80/917485380.db2.gz BIJWWOTYFVBIMW-DCAQKATOSA-N 1 3 272.393 -0.459 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483293169 917510298 /nfs/dbraw/zinc/51/02/98/917510298.db2.gz OLQBABMVGLMRFW-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CCCN1C ZINC001483455799 917566644 /nfs/dbraw/zinc/56/66/44/917566644.db2.gz DLDIBQNWNSSBBQ-ZDUSSCGKSA-N 1 3 294.403 -0.153 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001483470056 917573608 /nfs/dbraw/zinc/57/36/08/917573608.db2.gz IAEVNWNHVWVFBV-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484007164 917719302 /nfs/dbraw/zinc/71/93/02/917719302.db2.gz UGJPJECCGVJHRS-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC[N@@H+]1C ZINC001484235031 917778921 /nfs/dbraw/zinc/77/89/21/917778921.db2.gz FGNKRPZSMFFMCI-YDHLFZDLSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC[N@H+]1C ZINC001484235031 917778935 /nfs/dbraw/zinc/77/89/35/917778935.db2.gz FGNKRPZSMFFMCI-YDHLFZDLSA-N 1 3 299.415 -0.738 20 0 CBADHO CN(CC(=O)N1CCO[C@H](C[NH2+]CCO)C1)C1CCC1 ZINC001484681783 917922714 /nfs/dbraw/zinc/92/27/14/917922714.db2.gz ZNBMIYSQJGNSBB-CYBMUJFWSA-N 1 3 285.388 -0.720 20 0 CBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001484897800 917963207 /nfs/dbraw/zinc/96/32/07/917963207.db2.gz RHULZGWTHBVPLR-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484902003 917963618 /nfs/dbraw/zinc/96/36/18/917963618.db2.gz NACXGQCKWLEJHR-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484902003 917963630 /nfs/dbraw/zinc/96/36/30/917963630.db2.gz NACXGQCKWLEJHR-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485188778 918023910 /nfs/dbraw/zinc/02/39/10/918023910.db2.gz JHTSGNHVVKMGSU-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001485189668 918024453 /nfs/dbraw/zinc/02/44/53/918024453.db2.gz YEGAZISCWBQOIS-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188779 918024877 /nfs/dbraw/zinc/02/48/77/918024877.db2.gz JHTSGNHVVKMGSU-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001485920038 918228802 /nfs/dbraw/zinc/22/88/02/918228802.db2.gz PZURDKXJIAEBCW-NWDGAFQWSA-N 1 3 286.420 -0.149 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001485940979 918236167 /nfs/dbraw/zinc/23/61/67/918236167.db2.gz MDIWOVRGEPDREQ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001485940979 918236181 /nfs/dbraw/zinc/23/61/81/918236181.db2.gz MDIWOVRGEPDREQ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002526 918293711 /nfs/dbraw/zinc/29/37/11/918293711.db2.gz RZDARDXRPOYHKZ-NEPJUHHUSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC1)N(C)C ZINC001486052260 918343617 /nfs/dbraw/zinc/34/36/17/918343617.db2.gz DHANCVGUZCPLEG-RYUDHWBXSA-N 1 3 257.378 -0.197 20 0 CBADHO COCCN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053286 918344194 /nfs/dbraw/zinc/34/41/94/918344194.db2.gz XUURCQGFTDLOKY-NWDGAFQWSA-N 1 3 273.377 -0.959 20 0 CBADHO COCCN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053286 918344196 /nfs/dbraw/zinc/34/41/96/918344196.db2.gz XUURCQGFTDLOKY-NWDGAFQWSA-N 1 3 273.377 -0.959 20 0 CBADHO C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001486097263 918364198 /nfs/dbraw/zinc/36/41/98/918364198.db2.gz SVLQNFSXWYWLSL-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC001486131143 918370803 /nfs/dbraw/zinc/37/08/03/918370803.db2.gz UOSLIBGBTMZZBD-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001486131144 918371950 /nfs/dbraw/zinc/37/19/50/918371950.db2.gz UOSLIBGBTMZZBD-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001486220089 918384706 /nfs/dbraw/zinc/38/47/06/918384706.db2.gz XNQVLNPJGSACRK-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001488857917 918776146 /nfs/dbraw/zinc/77/61/46/918776146.db2.gz GKVNFDSWIVJUQP-CYDGBPFRSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CCO)C1CC1)N(C)C ZINC001490713709 918964403 /nfs/dbraw/zinc/96/44/03/918964403.db2.gz OLAHLUIYNVKVBO-RYUDHWBXSA-N 1 3 257.378 -0.197 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001491367744 919122555 /nfs/dbraw/zinc/12/25/55/919122555.db2.gz WEQITASNMPYIMQ-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491642001 919242784 /nfs/dbraw/zinc/24/27/84/919242784.db2.gz RZJIUKPJPFTQTP-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491684570 919250397 /nfs/dbraw/zinc/25/03/97/919250397.db2.gz WOCUVFKYZPVXLV-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491752160 919268248 /nfs/dbraw/zinc/26/82/48/919268248.db2.gz QZJIIGRAVXAQQN-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCC1 ZINC001492177143 919329113 /nfs/dbraw/zinc/32/91/13/919329113.db2.gz DGROQOGDFJGFKV-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCC1 ZINC001492177143 919329130 /nfs/dbraw/zinc/32/91/30/919329130.db2.gz DGROQOGDFJGFKV-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001492853133 919436224 /nfs/dbraw/zinc/43/62/24/919436224.db2.gz AJFZETOCBOGHAN-CQSZACIVSA-N 1 3 293.415 -0.038 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001492853133 919436231 /nfs/dbraw/zinc/43/62/31/919436231.db2.gz AJFZETOCBOGHAN-CQSZACIVSA-N 1 3 293.415 -0.038 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001493654286 919596540 /nfs/dbraw/zinc/59/65/40/919596540.db2.gz VHZDAADXNOCIDT-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CC[NH2+]CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001493708657 919608253 /nfs/dbraw/zinc/60/82/53/919608253.db2.gz JKKAQXIEYXZFQJ-UHFFFAOYSA-N 1 3 290.371 -0.024 20 0 CBADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CCO)C1 ZINC001494841451 919802056 /nfs/dbraw/zinc/80/20/56/919802056.db2.gz HTOWNNMLAMZBEI-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001495095929 919861219 /nfs/dbraw/zinc/86/12/19/919861219.db2.gz ZMQRFFKBSQYADH-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001495095929 919861228 /nfs/dbraw/zinc/86/12/28/919861228.db2.gz ZMQRFFKBSQYADH-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001495095926 919861397 /nfs/dbraw/zinc/86/13/97/919861397.db2.gz ZMQRFFKBSQYADH-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001495095926 919861413 /nfs/dbraw/zinc/86/14/13/919861413.db2.gz ZMQRFFKBSQYADH-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001495106053 919864830 /nfs/dbraw/zinc/86/48/30/919864830.db2.gz DXZGXGBIGYEOCL-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001495106053 919864840 /nfs/dbraw/zinc/86/48/40/919864840.db2.gz DXZGXGBIGYEOCL-QWRGUYRKSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001495106048 919866254 /nfs/dbraw/zinc/86/62/54/919866254.db2.gz DXZGXGBIGYEOCL-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001495106048 919866268 /nfs/dbraw/zinc/86/62/68/919866268.db2.gz DXZGXGBIGYEOCL-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC ZINC001495106055 919866800 /nfs/dbraw/zinc/86/68/00/919866800.db2.gz DXZGXGBIGYEOCL-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC ZINC001495106055 919866810 /nfs/dbraw/zinc/86/68/10/919866810.db2.gz DXZGXGBIGYEOCL-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496083253 920022136 /nfs/dbraw/zinc/02/21/36/920022136.db2.gz WEJAENAPYPDVLE-MNOVXSKESA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082247 920024469 /nfs/dbraw/zinc/02/44/69/920024469.db2.gz SHIVXQQZBMPSEN-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496145932 920034609 /nfs/dbraw/zinc/03/46/09/920034609.db2.gz VQQVUJAVHUOLTR-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001496208051 920043328 /nfs/dbraw/zinc/04/33/28/920043328.db2.gz BISSIHYEAJJOFG-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001496560853 920088286 /nfs/dbraw/zinc/08/82/86/920088286.db2.gz HGYDYPLDJKTQNV-QWHCGFSZSA-N 1 3 296.415 -0.456 20 0 CBADHO CC[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729711 920375969 /nfs/dbraw/zinc/37/59/69/920375969.db2.gz HVDJULYCJVBXAJ-DRHCNIFCSA-N 1 3 296.415 -0.146 20 0 CBADHO CC[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729711 920375984 /nfs/dbraw/zinc/37/59/84/920375984.db2.gz HVDJULYCJVBXAJ-DRHCNIFCSA-N 1 3 296.415 -0.146 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001497909883 920421070 /nfs/dbraw/zinc/42/10/70/920421070.db2.gz DZHRAOPEOOCYBV-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498041995 920458683 /nfs/dbraw/zinc/45/86/83/920458683.db2.gz JHSOMWHVAMGAEP-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498041995 920458697 /nfs/dbraw/zinc/45/86/97/920458697.db2.gz JHSOMWHVAMGAEP-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042786 920458769 /nfs/dbraw/zinc/45/87/69/920458769.db2.gz AMOBLWKLOZWIOQ-CMPLNLGQSA-N 1 3 282.388 -0.832 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001498053444 920463416 /nfs/dbraw/zinc/46/34/16/920463416.db2.gz NIJXKWLKXJYYIJ-JQWIXIFHSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498328008 920550350 /nfs/dbraw/zinc/55/03/50/920550350.db2.gz WHIOSTHCFXETIG-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001498561237 920608723 /nfs/dbraw/zinc/60/87/23/920608723.db2.gz XWMPAGOWOMUJDP-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817017 920642178 /nfs/dbraw/zinc/64/21/78/920642178.db2.gz JMXCQVQCNVTKNE-GWCFXTLKSA-N 1 3 296.415 -0.314 20 0 CBADHO CCOCCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500763240 920877577 /nfs/dbraw/zinc/87/75/77/920877577.db2.gz UCAIOBQLRONHEG-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO CCOCCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500763240 920877593 /nfs/dbraw/zinc/87/75/93/920877593.db2.gz UCAIOBQLRONHEG-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@H]1C ZINC001507335809 921811824 /nfs/dbraw/zinc/81/18/24/921811824.db2.gz ZBHGVYHXADQHCE-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@H]1C ZINC001507335809 921811834 /nfs/dbraw/zinc/81/18/34/921811834.db2.gz ZBHGVYHXADQHCE-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507726799 921892214 /nfs/dbraw/zinc/89/22/14/921892214.db2.gz NBVLFVUJPUEJTN-OLZOCXBDSA-N 1 3 287.404 -0.664 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507726799 921892221 /nfs/dbraw/zinc/89/22/21/921892221.db2.gz NBVLFVUJPUEJTN-OLZOCXBDSA-N 1 3 287.404 -0.664 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC001521439001 922357014 /nfs/dbraw/zinc/35/70/14/922357014.db2.gz JXZXCZWDGWTKCT-SNVBAGLBSA-N 1 3 259.350 -0.275 20 0 CBADHO C[NH+]1CCC(CCNC(=O)[C@@H](N)C(C)(C)O)CC1 ZINC001521464862 922358939 /nfs/dbraw/zinc/35/89/39/922358939.db2.gz WEFNEQSOCVUZOE-LLVKDONJSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H]1NCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001521526730 922364468 /nfs/dbraw/zinc/36/44/68/922364468.db2.gz HCVJNHDRJBJDLX-GVXVVHGQSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+]C[C@H](O)CNC(=O)c1cc2c(s1)CCNC2 ZINC001522028339 922395120 /nfs/dbraw/zinc/39/51/20/922395120.db2.gz JIBRAHXYYIHGBG-QMMMGPOBSA-N 1 3 255.343 -0.557 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740979 922377488 /nfs/dbraw/zinc/37/74/88/922377488.db2.gz RPQHWDYWYKQMBR-RYUDHWBXSA-N 1 3 266.389 -0.319 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001521974194 922395695 /nfs/dbraw/zinc/39/56/95/922395695.db2.gz NJURCUDKSVLKHW-QWRGUYRKSA-N 1 3 265.357 -0.377 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001522639262 922494596 /nfs/dbraw/zinc/49/45/96/922494596.db2.gz KZJUHXZOOQVUCI-LBPRGKRZSA-N 1 3 256.394 -0.101 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@H](N)CC[NH+](C)C ZINC001522823511 922527819 /nfs/dbraw/zinc/52/78/19/922527819.db2.gz CBGDADFNWLDHMJ-NNYUYHANSA-N 1 3 256.394 -0.137 20 0 CBADHO O=C(N1CCC2(CC1)CNCCO2)C12CC(C1)C[NH2+]2 ZINC001523168603 922573486 /nfs/dbraw/zinc/57/34/86/922573486.db2.gz GGFGRQPOTUDSGO-UHFFFAOYSA-N 1 3 265.357 -0.281 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001530649072 922955464 /nfs/dbraw/zinc/95/54/64/922955464.db2.gz QUPUJUZHDCTNHD-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001533585853 923111528 /nfs/dbraw/zinc/11/15/28/923111528.db2.gz KBIKUPMLNQZZJV-MUBLQREKSA-N 1 3 296.415 -0.179 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CNCCN1C)C(C)(C)C[NH+](C)C ZINC001548553206 923375492 /nfs/dbraw/zinc/37/54/92/923375492.db2.gz QBBGUGJJOWLWSK-NEPJUHHUSA-N 1 3 270.421 -0.018 20 0 CBADHO C[C@H](NC(=O)[C@@H]1CNCCN1C)C(C)(C)C[NH+](C)C ZINC001548553218 923376090 /nfs/dbraw/zinc/37/60/90/923376090.db2.gz QBBGUGJJOWLWSK-RYUDHWBXSA-N 1 3 270.421 -0.018 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001548557481 923379925 /nfs/dbraw/zinc/37/99/25/923379925.db2.gz WHSBSJDSCQXBIX-KBPBESRZSA-N 1 3 280.416 -0.262 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001548557486 923380128 /nfs/dbraw/zinc/38/01/28/923380128.db2.gz WHSBSJDSCQXBIX-UONOGXRCSA-N 1 3 280.416 -0.262 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001548554735 923380987 /nfs/dbraw/zinc/38/09/87/923380987.db2.gz JQISHXGXWYGWKV-VXGBXAGGSA-N 1 3 252.362 -0.757 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001548558318 923382067 /nfs/dbraw/zinc/38/20/67/923382067.db2.gz HSGKFPGGSGWTEP-MELADBBJSA-N 1 3 280.416 -0.262 20 0 CBADHO NC1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)Cc2ccccc2C1 ZINC001548569675 923391864 /nfs/dbraw/zinc/39/18/64/923391864.db2.gz QUYFUPNQJPIJNK-ZDUSSCGKSA-N 1 3 287.363 -0.270 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC001548575567 923399930 /nfs/dbraw/zinc/39/99/30/923399930.db2.gz FGSRVURNWHQEJL-ZDUSSCGKSA-N 1 3 277.368 -0.479 20 0 CBADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575580 923400200 /nfs/dbraw/zinc/40/02/00/923400200.db2.gz FTGCQZPEPSQHGS-WDEREUQCSA-N 1 3 285.388 -0.818 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2CCC[NH2+]2)CC2(CNC2)O1 ZINC001548575970 923400658 /nfs/dbraw/zinc/40/06/58/923400658.db2.gz NVJQIJXWJMZODV-SNVBAGLBSA-N 1 3 253.346 -0.282 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC2(CNC2)O1 ZINC001548575399 923400561 /nfs/dbraw/zinc/40/05/61/923400561.db2.gz DJYRSXCIICJGEC-GARJFASQSA-N 1 3 265.357 -0.426 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC2(CNC2)O1 ZINC001548580098 923404455 /nfs/dbraw/zinc/40/44/55/923404455.db2.gz VVCFETATWABOEC-FZMZJTMJSA-N 1 3 279.384 -0.035 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548578504 923404665 /nfs/dbraw/zinc/40/46/65/923404665.db2.gz MXDZDPHXFCRDMF-UWVGGRQHSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699355 923457074 /nfs/dbraw/zinc/45/70/74/923457074.db2.gz CCUOJHAZYRHCSV-STQMWFEESA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699355 923457077 /nfs/dbraw/zinc/45/70/77/923457077.db2.gz CCUOJHAZYRHCSV-STQMWFEESA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699345 923460286 /nfs/dbraw/zinc/46/02/86/923460286.db2.gz CCUOJHAZYRHCSV-CHWSQXEVSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C)C(C)(C)C1 ZINC001548699345 923460292 /nfs/dbraw/zinc/46/02/92/923460292.db2.gz CCUOJHAZYRHCSV-CHWSQXEVSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001548703594 923463735 /nfs/dbraw/zinc/46/37/35/923463735.db2.gz GAGZYRKEFUKYEG-MJBXVCDLSA-N 1 3 280.416 -0.073 20 0 CBADHO CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001548703594 923463744 /nfs/dbraw/zinc/46/37/44/923463744.db2.gz GAGZYRKEFUKYEG-MJBXVCDLSA-N 1 3 280.416 -0.073 20 0 CBADHO O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCNCC1 ZINC001549043472 923526320 /nfs/dbraw/zinc/52/63/20/923526320.db2.gz KBOOSDPFQJJBFL-KGLIPLIRSA-N 1 3 280.416 -0.118 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047268 923544836 /nfs/dbraw/zinc/54/48/36/923544836.db2.gz MYSIAAOLKGTHRT-MWLCHTKSSA-N 1 3 266.349 -0.362 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047676 923545726 /nfs/dbraw/zinc/54/57/26/923545726.db2.gz WIDZCVZHNYMIKM-DGCLKSJQSA-N 1 3 292.387 -0.100 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047812 923545996 /nfs/dbraw/zinc/54/59/96/923545996.db2.gz ZQUQVZPRVCAXJJ-JBLDHEPKSA-N 1 3 280.376 -0.116 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047675 923548364 /nfs/dbraw/zinc/54/83/64/923548364.db2.gz WIDZCVZHNYMIKM-AAEUAGOBSA-N 1 3 292.387 -0.100 20 0 CBADHO [NH3+]C[C@@]12CCC[C@@H]1CN(CC(=O)N1CCNCC1)C2 ZINC001549113689 923557674 /nfs/dbraw/zinc/55/76/74/923557674.db2.gz OUDNMIRXIWNZIL-TZMCWYRMSA-N 1 3 266.389 -0.521 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549130266 923561128 /nfs/dbraw/zinc/56/11/28/923561128.db2.gz YKBDYVHPUYLLMT-ZLDLUXBVSA-N 1 3 296.415 -0.327 20 0 CBADHO C[NH2+][C@H](C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549170217 923563066 /nfs/dbraw/zinc/56/30/66/923563066.db2.gz OBESZXKUOFHLPH-KOLCDFICSA-N 1 3 266.349 -0.492 20 0 CBADHO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549170219 923563704 /nfs/dbraw/zinc/56/37/04/923563704.db2.gz OBESZXKUOFHLPH-MWLCHTKSSA-N 1 3 266.349 -0.492 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549212448 923570456 /nfs/dbraw/zinc/57/04/56/923570456.db2.gz FUWSAQSJARAZLG-CBKZZEEASA-N 1 3 280.372 -0.801 20 0 CBADHO N[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@@H]1F ZINC001549212374 923570630 /nfs/dbraw/zinc/57/06/30/923570630.db2.gz CUBCPYKSXHBAEJ-QLWZBITOSA-N 1 3 256.325 -0.181 20 0 CBADHO N[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@H]1F ZINC001549212371 923570824 /nfs/dbraw/zinc/57/08/24/923570824.db2.gz CUBCPYKSXHBAEJ-OWNCLDLKSA-N 1 3 256.325 -0.181 20 0 CBADHO C[C@H](N)C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729203 923632517 /nfs/dbraw/zinc/63/25/17/923632517.db2.gz PPQNYYAWCPHVOG-GXSJLCMTSA-N 1 3 264.329 -0.214 20 0 CBADHO NCC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729023 923633358 /nfs/dbraw/zinc/63/33/58/923633358.db2.gz MNFHLNAXMWEWBU-SNVBAGLBSA-N 1 3 250.302 -0.603 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084684 923668866 /nfs/dbraw/zinc/66/88/66/923668866.db2.gz KCNRHIKJYZSBCF-VXGBXAGGSA-N 1 3 267.373 -0.129 20 0 CBADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001550077242 923670874 /nfs/dbraw/zinc/67/08/74/923670874.db2.gz XKYQKSRKFJGKEK-NEPJUHHUSA-N 1 3 277.324 -0.170 20 0 CBADHO CC[C@@H](N)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087461 923672171 /nfs/dbraw/zinc/67/21/71/923672171.db2.gz VDCVWGGISFVEHK-VHSXEESVSA-N 1 3 252.322 -0.834 20 0 CBADHO CC[C@@H](N)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087456 923672786 /nfs/dbraw/zinc/67/27/86/923672786.db2.gz VDCVWGGISFVEHK-NXEZZACHSA-N 1 3 252.322 -0.834 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096295 923677454 /nfs/dbraw/zinc/67/74/54/923677454.db2.gz JNJLNFSIAFXLIQ-AGIUHOORSA-N 1 3 292.387 -0.102 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001550094579 923677674 /nfs/dbraw/zinc/67/76/74/923677674.db2.gz RORQSRZUSKBKNT-LLVKDONJSA-N 1 3 264.333 -0.738 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550094959 923679640 /nfs/dbraw/zinc/67/96/40/923679640.db2.gz AVVDTJTZNWSVKO-CYZMBNFOSA-N 1 3 292.387 -0.102 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097264 923681245 /nfs/dbraw/zinc/68/12/45/923681245.db2.gz HZORMGIRLNSYKM-MNOVXSKESA-N 1 3 264.333 -0.738 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097506 923681737 /nfs/dbraw/zinc/68/17/37/923681737.db2.gz SFNBITCMRAUYMD-NWDGAFQWSA-N 1 3 278.360 -0.348 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096998 923681847 /nfs/dbraw/zinc/68/18/47/923681847.db2.gz WPQGRGZRACTPHA-YUSALJHKSA-N 1 3 278.360 -0.634 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C2)nn1 ZINC001550096982 923682056 /nfs/dbraw/zinc/68/20/56/923682056.db2.gz VZLXXMVGSCPLEF-IELRGYKMSA-N 1 3 276.344 -0.739 20 0 CBADHO C[C@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550097325 923682089 /nfs/dbraw/zinc/68/20/89/923682089.db2.gz KMWUUMXIAKKUTH-AAEUAGOBSA-N 1 3 278.360 -0.490 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550183989 923707078 /nfs/dbraw/zinc/70/70/78/923707078.db2.gz PPDNBOCCNCTHLW-JHJVBQTASA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001550186579 923708202 /nfs/dbraw/zinc/70/82/02/923708202.db2.gz IMMGPSFNZMWZFZ-QNWHQSFQSA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194981 923709631 /nfs/dbraw/zinc/70/96/31/923709631.db2.gz TXKJJKNDDSAJLU-MNOVXSKESA-N 1 3 271.361 -0.765 20 0 CBADHO C[NH2+][C@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550205771 923711119 /nfs/dbraw/zinc/71/11/19/923711119.db2.gz YEHBHXKURCEGCW-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CNCCO1 ZINC001550277459 923717886 /nfs/dbraw/zinc/71/78/86/923717886.db2.gz LRKLMJVQWPKVQS-PSEXLTFBSA-N 1 3 282.388 -0.195 20 0 CBADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCNC[C@H](O)C1 ZINC001550738829 923744279 /nfs/dbraw/zinc/74/42/79/923744279.db2.gz CSOMUCOZJDIMOT-MJBXVCDLSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCNC[C@H](O)C1 ZINC001550738829 923744287 /nfs/dbraw/zinc/74/42/87/923744287.db2.gz CSOMUCOZJDIMOT-MJBXVCDLSA-N 1 3 296.415 -0.021 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913295 923754149 /nfs/dbraw/zinc/75/41/49/923754149.db2.gz OOOXHNQIRSQGEE-WFASDCNBSA-N 1 3 296.415 -0.253 20 0 CBADHO CN1[C@H]2CN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]2C[C@H]1CO ZINC001551586208 923805615 /nfs/dbraw/zinc/80/56/15/923805615.db2.gz MPLVUXAXVFEYGO-PCKRFRQOSA-N 1 3 294.399 -0.427 20 0 CBADHO N[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC[C@H]1F ZINC001551572844 923806065 /nfs/dbraw/zinc/80/60/65/923806065.db2.gz DFYPQXUTYVXCDN-RRFNDXNDSA-N 1 3 256.325 -0.053 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CN1C1CC1 ZINC001552199977 923855401 /nfs/dbraw/zinc/85/54/01/923855401.db2.gz GAVLWSYINNVWLP-OXJKWZBOSA-N 1 3 279.384 -0.036 20 0 CBADHO O=C(NCCN1CCCC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201115 923858937 /nfs/dbraw/zinc/85/89/37/923858937.db2.gz WQVQHKXYXPGQCG-YPMHNXCESA-N 1 3 253.346 -0.566 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201915 923860220 /nfs/dbraw/zinc/86/02/20/923860220.db2.gz VDHBHXYCATYHIM-UMVBOHGHSA-N 1 3 297.399 -0.551 20 0 CBADHO O=C(Nc1cnc2c(c1)CNCC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202501 923861657 /nfs/dbraw/zinc/86/16/57/923861657.db2.gz HKZAHWPXMFEJLN-ABAIWWIYSA-N 1 3 288.351 -0.098 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212615 923867574 /nfs/dbraw/zinc/86/75/74/923867574.db2.gz AUYDNDDZMMMABN-IJLUTSLNSA-N 1 3 280.372 -0.854 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC001552212617 923868907 /nfs/dbraw/zinc/86/89/07/923868907.db2.gz AUYDNDDZMMMABN-SDDRHHMPSA-N 1 3 280.372 -0.854 20 0 CBADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC[C@H]1F ZINC001552218700 923871592 /nfs/dbraw/zinc/87/15/92/923871592.db2.gz WDBNYAOXEVIRAT-BFLSOPEQSA-N 1 3 257.309 -0.880 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[C@H]1F ZINC001552216310 923872066 /nfs/dbraw/zinc/87/20/66/923872066.db2.gz PVKNSCRXJPQFST-OPRDCNLKSA-N 1 3 282.323 -0.676 20 0 CBADHO N[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[C@@H]1F ZINC001552436041 923904927 /nfs/dbraw/zinc/90/49/27/923904927.db2.gz VJFJNZXNUWSULR-DVVUODLYSA-N 1 3 281.335 -0.002 20 0 CBADHO N[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@H]1F ZINC001552440462 923909006 /nfs/dbraw/zinc/90/90/06/923909006.db2.gz VJTNQYSNAMUDFR-MNOVXSKESA-N 1 3 296.350 -0.286 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)CCN2C1=O ZINC001552842651 923920807 /nfs/dbraw/zinc/92/08/07/923920807.db2.gz AIRMOCPDJIEHDC-BLTAXRJOSA-N 1 3 292.383 -0.711 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553414635 923989510 /nfs/dbraw/zinc/98/95/10/923989510.db2.gz RHEYGSXVOIJATK-XGFWRYKXSA-N 1 3 295.383 -0.515 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553414628 923990524 /nfs/dbraw/zinc/99/05/24/923990524.db2.gz RHEYGSXVOIJATK-DGTMBMJNSA-N 1 3 295.383 -0.515 20 0 CBADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]21 ZINC001553443742 924001588 /nfs/dbraw/zinc/00/15/88/924001588.db2.gz IVWICQNTKPSRFI-KSTCHIGDSA-N 1 3 294.399 -0.304 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553494290 924009698 /nfs/dbraw/zinc/00/96/98/924009698.db2.gz DXEOZTGXVKTVJD-FRRDWIJNSA-N 1 3 284.404 -0.178 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC1 ZINC001553494643 924009888 /nfs/dbraw/zinc/00/98/88/924009888.db2.gz CINZDDWPDGQSQR-BFHYXJOUSA-N 1 3 296.415 -0.036 20 0 CBADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553492824 924010780 /nfs/dbraw/zinc/01/07/80/924010780.db2.gz APLMOFXIZGWLCZ-MCIONIFRSA-N 1 3 296.415 -0.164 20 0 CBADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1CNCCO1)C2 ZINC001553499982 924012732 /nfs/dbraw/zinc/01/27/32/924012732.db2.gz AFDWUYIWLYCLGU-SCVCMEIPSA-N 1 3 254.334 -0.893 20 0 CBADHO O=C(NC[C@H]1CNCCO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553505216 924017740 /nfs/dbraw/zinc/01/77/40/924017740.db2.gz SLGWJHCNGQJKIC-GFCCVEGCSA-N 1 3 282.388 -0.194 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553501926 924017952 /nfs/dbraw/zinc/01/79/52/924017952.db2.gz IUTDGPVLTUJNCG-NEPJUHHUSA-N 1 3 298.387 -0.957 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420161293 282089235 /nfs/dbraw/zinc/08/92/35/282089235.db2.gz CARBRCGKMUCGHC-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514967 282135860 /nfs/dbraw/zinc/13/58/60/282135860.db2.gz BZAMHAMCSYIUDT-ZIAGYGMSSA-N 1 3 271.405 -0.437 20 0 CBADHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000113514967 282135862 /nfs/dbraw/zinc/13/58/62/282135862.db2.gz BZAMHAMCSYIUDT-ZIAGYGMSSA-N 1 3 271.405 -0.437 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562202 230293724 /nfs/dbraw/zinc/29/37/24/230293724.db2.gz JSAJXCMWNOKXLE-CHWSQXEVSA-N 1 3 298.456 -0.412 20 0 CBADHO CNCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000514857768 290638169 /nfs/dbraw/zinc/63/81/69/290638169.db2.gz HUJOCHLSDFZKAZ-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1[NH3+] ZINC000331515463 290673007 /nfs/dbraw/zinc/67/30/07/290673007.db2.gz BYBNPHBTVUOGFS-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO COC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343995316 293177423 /nfs/dbraw/zinc/17/74/23/293177423.db2.gz YPAAMQCFTRONAG-RBSFLKMASA-N 1 3 285.432 -0.049 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351517516 219113164 /nfs/dbraw/zinc/11/31/64/219113164.db2.gz ANKZBBJJYHTVMN-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000351516538 219112131 /nfs/dbraw/zinc/11/21/31/219112131.db2.gz GHDQHTHIOBVDHA-NWDGAFQWSA-N 1 3 280.372 -0.839 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000351517810 219112888 /nfs/dbraw/zinc/11/28/88/219112888.db2.gz AVZXKOVFPSDQPX-NSHDSACASA-N 1 3 268.361 -0.933 20 0 CBADHO CCN(CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000351555306 219124944 /nfs/dbraw/zinc/12/49/44/219124944.db2.gz LHKGBHSUMWETMS-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC000364133101 295724768 /nfs/dbraw/zinc/72/47/68/295724768.db2.gz XCMYJQNYAAJREL-SECBINFHSA-N 1 3 263.345 -0.073 20 0 CBADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000573813740 334968565 /nfs/dbraw/zinc/96/85/65/334968565.db2.gz YWHQDIBSKZDRSC-KBPBESRZSA-N 1 3 298.431 -0.806 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352004073 219284224 /nfs/dbraw/zinc/28/42/24/219284224.db2.gz NUDBPGVQZXTQPZ-CMPLNLGQSA-N 1 3 272.393 -0.280 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339580248 215255465 /nfs/dbraw/zinc/25/54/65/215255465.db2.gz IHRXFHLHGULPGY-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091549061 180188275 /nfs/dbraw/zinc/18/82/75/180188275.db2.gz VUWQCCQOASCCPT-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO CCCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352095854 219318997 /nfs/dbraw/zinc/31/89/97/219318997.db2.gz BQYQGGGAOCEKIN-ZDUSSCGKSA-N 1 3 286.420 -0.066 20 0 CBADHO CCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352095854 219318999 /nfs/dbraw/zinc/31/89/99/219318999.db2.gz BQYQGGGAOCEKIN-ZDUSSCGKSA-N 1 3 286.420 -0.066 20 0 CBADHO C[NH2+]CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000063166228 351579410 /nfs/dbraw/zinc/57/94/10/351579410.db2.gz HDFOTEMQVQJPPS-UHFFFAOYSA-N 1 3 280.372 -0.485 20 0 CBADHO Cn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000063178723 351580705 /nfs/dbraw/zinc/58/07/05/351580705.db2.gz CKWFPKDBUZVZQH-LBPRGKRZSA-N 1 3 265.361 -0.293 20 0 CBADHO COC(=O)CCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179786 351580773 /nfs/dbraw/zinc/58/07/73/351580773.db2.gz UQUBMIDJEJPCKM-LLVKDONJSA-N 1 3 271.361 -0.274 20 0 CBADHO Cn1c(CN2CCC(CC[NH3+])CC2)cc(=O)n(C)c1=O ZINC000070188517 351636479 /nfs/dbraw/zinc/63/64/79/351636479.db2.gz JUSFJAPOLRWLKK-UHFFFAOYSA-N 1 3 280.372 -0.355 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000091668373 351745885 /nfs/dbraw/zinc/74/58/85/351745885.db2.gz PGUDULZDOMHXST-IJLUTSLNSA-N 1 3 253.346 -0.425 20 0 CBADHO C[NH2+]CCCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126450481 351861073 /nfs/dbraw/zinc/86/10/73/351861073.db2.gz JMFNELSNNJGXCV-NSHDSACASA-N 1 3 258.366 -0.846 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000131665692 351887894 /nfs/dbraw/zinc/88/78/94/351887894.db2.gz QAKJSTFDQMJUGH-CQSZACIVSA-N 1 3 276.384 -0.422 20 0 CBADHO CN(C)CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000133718322 351901372 /nfs/dbraw/zinc/90/13/72/351901372.db2.gz LKFPIBSLRYHTCW-LBPRGKRZSA-N 1 3 299.419 -0.565 20 0 CBADHO CN(C)CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000133718322 351901377 /nfs/dbraw/zinc/90/13/77/351901377.db2.gz LKFPIBSLRYHTCW-LBPRGKRZSA-N 1 3 299.419 -0.565 20 0 CBADHO CC(C(=O)NCC[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000135228877 351912837 /nfs/dbraw/zinc/91/28/37/351912837.db2.gz YTCYQONZJCILPP-VHSXEESVSA-N 1 3 262.375 -0.075 20 0 CBADHO C[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000157556621 351956085 /nfs/dbraw/zinc/95/60/85/351956085.db2.gz GEPKTJBGXZSCEK-WDEREUQCSA-N 1 3 268.361 -0.901 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157780689 351957882 /nfs/dbraw/zinc/95/78/82/351957882.db2.gz XLLBQCFHNUCMPU-QWHCGFSZSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157780689 351957885 /nfs/dbraw/zinc/95/78/85/351957885.db2.gz XLLBQCFHNUCMPU-QWHCGFSZSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@H](O)CN2CCOCC2)CC[N@@H+]1C ZINC000158249691 351958919 /nfs/dbraw/zinc/95/89/19/351958919.db2.gz ZWPSUAYSIDXIRF-RDBSUJKOSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H]1C[C@@H](NC[C@H](O)CN2CCOCC2)CC[N@H+]1C ZINC000158249691 351958922 /nfs/dbraw/zinc/95/89/22/351958922.db2.gz ZWPSUAYSIDXIRF-RDBSUJKOSA-N 1 3 271.405 -0.248 20 0 CBADHO CN1CCN(C(=O)CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000162476068 351978340 /nfs/dbraw/zinc/97/83/40/351978340.db2.gz FZYNVDDLFGSDFV-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC1CC[NH+](C)CC1 ZINC000162757400 351979321 /nfs/dbraw/zinc/97/93/21/351979321.db2.gz ZDHZSFLUHASACI-AWEZNQCLSA-N 1 3 298.431 -0.066 20 0 CBADHO CN(C)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000163687547 351982852 /nfs/dbraw/zinc/98/28/52/351982852.db2.gz NPIOORPQAGHUND-CHWSQXEVSA-N 1 3 298.431 -0.242 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000165856295 351986894 /nfs/dbraw/zinc/98/68/94/351986894.db2.gz ATFJPBHTHIQAMR-CYBMUJFWSA-N 1 3 273.352 -0.085 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167405432 351989738 /nfs/dbraw/zinc/98/97/38/351989738.db2.gz IUTBOTPMOPPYDK-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000167407351 351989742 /nfs/dbraw/zinc/98/97/42/351989742.db2.gz FNQMGDULQFYYID-ZDUSSCGKSA-N 1 3 296.415 -0.392 20 0 CBADHO [NH3+]CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167412928 351989792 /nfs/dbraw/zinc/98/97/92/351989792.db2.gz BCSVDMBTJOYNIM-UHFFFAOYSA-N 1 3 268.361 -0.898 20 0 CBADHO CNC(=O)CCN(C)C/C=C/C[N@H+](C)CCC(=O)NC ZINC000170781937 352001662 /nfs/dbraw/zinc/00/16/62/352001662.db2.gz BMFXYVFZKQXJTP-AATRIKPKSA-N 1 3 284.404 -0.322 20 0 CBADHO CNC(=O)CCN(C)C/C=C/C[N@@H+](C)CCC(=O)NC ZINC000170781937 352001665 /nfs/dbraw/zinc/00/16/65/352001665.db2.gz BMFXYVFZKQXJTP-AATRIKPKSA-N 1 3 284.404 -0.322 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000186786073 352131297 /nfs/dbraw/zinc/13/12/97/352131297.db2.gz WLZCDHRLWZABJE-JHJVBQTASA-N 1 3 296.415 -0.489 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000178759130 352083771 /nfs/dbraw/zinc/08/37/71/352083771.db2.gz DNHAQCFRFNXXFG-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000178877591 352084450 /nfs/dbraw/zinc/08/44/50/352084450.db2.gz RQMNTPSSCKZQRK-KGLIPLIRSA-N 1 3 282.432 -0.014 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[NH2+]CCOC)CC1 ZINC000178874183 352084788 /nfs/dbraw/zinc/08/47/88/352084788.db2.gz XUXYJBWJAVEDQE-CYBMUJFWSA-N 1 3 286.420 -0.635 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796358 352159808 /nfs/dbraw/zinc/15/98/08/352159808.db2.gz CLCDCLLGXXRMDH-FRRDWIJNSA-N 1 3 286.395 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219036627 352236622 /nfs/dbraw/zinc/23/66/22/352236622.db2.gz MVVNNVWHWDWDTF-GWCFXTLKSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219036627 352236625 /nfs/dbraw/zinc/23/66/25/352236625.db2.gz MVVNNVWHWDWDTF-GWCFXTLKSA-N 1 3 284.404 -0.315 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000221101681 352240287 /nfs/dbraw/zinc/24/02/87/352240287.db2.gz OKFRROWKIOTOHO-GARJFASQSA-N 1 3 263.407 -0.146 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000227373496 352257566 /nfs/dbraw/zinc/25/75/66/352257566.db2.gz XFTWGCZRGYWHIY-CHWSQXEVSA-N 1 3 286.420 -0.652 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 ZINC000228477334 352262374 /nfs/dbraw/zinc/26/23/74/352262374.db2.gz KGDFGEQGPIRMFC-GMTAPVOTSA-N 1 3 266.345 -0.403 20 0 CBADHO CN(C)CCOCCNC(=O)c1csc(CC[NH3+])n1 ZINC000234239557 352281905 /nfs/dbraw/zinc/28/19/05/352281905.db2.gz JRYCOAJNFOQJTQ-UHFFFAOYSA-N 1 3 286.401 -0.048 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236592546 352290989 /nfs/dbraw/zinc/29/09/89/352290989.db2.gz PHODEMCPXAPTKI-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000236874614 352294884 /nfs/dbraw/zinc/29/48/84/352294884.db2.gz UCIMPANYHRMFTJ-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000236874697 352295039 /nfs/dbraw/zinc/29/50/39/352295039.db2.gz KGCQUUHVGOLQCU-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000237087092 352298475 /nfs/dbraw/zinc/29/84/75/352298475.db2.gz NTVGCZTXUQKSRJ-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)CC1=O ZINC000237160819 352300233 /nfs/dbraw/zinc/30/02/33/352300233.db2.gz IDWCOHFDXRMCAV-RYUDHWBXSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)C2CC[NH2+]CC2)CC1=O ZINC000237161509 352300239 /nfs/dbraw/zinc/30/02/39/352300239.db2.gz KBOIYNRJYBPJLD-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000237155502 352300523 /nfs/dbraw/zinc/30/05/23/352300523.db2.gz FUPPMMVLLYXQEO-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000237159834 352300811 /nfs/dbraw/zinc/30/08/11/352300811.db2.gz YEQUWOBBSUJEDX-NSHDSACASA-N 1 3 282.388 -0.654 20 0 CBADHO COCC[NH2+]CCNC(=O)CNC[C@H]1CCCO1 ZINC000237278374 352302209 /nfs/dbraw/zinc/30/22/09/352302209.db2.gz FPVZHJNTYMEIQI-LLVKDONJSA-N 1 3 259.350 -0.893 20 0 CBADHO COCC[NH2+]CCNC(=O)CNC[C@@H]1CCCO1 ZINC000237278336 352302273 /nfs/dbraw/zinc/30/22/73/352302273.db2.gz FPVZHJNTYMEIQI-NSHDSACASA-N 1 3 259.350 -0.893 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000237240380 352302495 /nfs/dbraw/zinc/30/24/95/352302495.db2.gz WIXWSRSRXBUCTD-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO [NH3+]CCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237902015 352311071 /nfs/dbraw/zinc/31/10/71/352311071.db2.gz KISCGXJZDDNXOG-UHFFFAOYSA-N 1 3 282.388 -0.508 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000261889876 352399661 /nfs/dbraw/zinc/39/96/61/352399661.db2.gz VFIPRVQYAMSXDE-AGIUHOORSA-N 1 3 296.415 -0.408 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)COC2CNC2)C[C@H]1c1ccccc1 ZINC000262151900 352408248 /nfs/dbraw/zinc/40/82/48/352408248.db2.gz GBTJNMGVGSFMKU-UONOGXRCSA-N 1 3 275.352 -0.072 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000133655276 187699501 /nfs/dbraw/zinc/69/95/01/187699501.db2.gz JJBRTDRSZWWBGG-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CNC(=O)C[NH2+]CC1CC1)CN1CCN(C)CC1 ZINC000262629338 352428386 /nfs/dbraw/zinc/42/83/86/352428386.db2.gz DDDHGKPYOVPIMQ-ZDUSSCGKSA-N 1 3 282.432 -0.014 20 0 CBADHO C[C@@H]1NCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1C ZINC000262764211 352433587 /nfs/dbraw/zinc/43/35/87/352433587.db2.gz IXHQXKSETNZYDY-AVGNSLFASA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000263243388 352440486 /nfs/dbraw/zinc/44/04/86/352440486.db2.gz MAPQJQSOTCQVHF-MJVIPROJSA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000263243388 352440488 /nfs/dbraw/zinc/44/04/88/352440488.db2.gz MAPQJQSOTCQVHF-MJVIPROJSA-N 1 3 296.415 -0.173 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262073052 352406402 /nfs/dbraw/zinc/40/64/02/352406402.db2.gz PLTMKMKGZWLDRM-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO [NH3+]C[C@@H]1CCCCN1CCC(=O)N1CCNCC1 ZINC000262097022 352406869 /nfs/dbraw/zinc/40/68/69/352406869.db2.gz LTESEGWOJCADSS-LBPRGKRZSA-N 1 3 254.378 -0.379 20 0 CBADHO CC(C(=O)N[C@H]1CC[NH2+]CC1(C)C)S(C)(=O)=O ZINC000302395128 352740067 /nfs/dbraw/zinc/74/00/67/352740067.db2.gz GKWOPULEJUXBNB-IUCAKERBSA-N 1 3 262.375 -0.076 20 0 CBADHO CNC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310828230 352762310 /nfs/dbraw/zinc/76/23/10/352762310.db2.gz INSXTGVODNIIEW-AOOOYVTPSA-N 1 3 254.334 -0.627 20 0 CBADHO C[N@H+](C[C@@H](O)CNCCN1CCC(O)CC1)C1CC1 ZINC000321279184 352782501 /nfs/dbraw/zinc/78/25/01/352782501.db2.gz HBYCQNSAHNBBKD-AWEZNQCLSA-N 1 3 271.405 -0.512 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCCN1CCC(O)CC1)C1CC1 ZINC000321279184 352782503 /nfs/dbraw/zinc/78/25/03/352782503.db2.gz HBYCQNSAHNBBKD-AWEZNQCLSA-N 1 3 271.405 -0.512 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000321279184 352782505 /nfs/dbraw/zinc/78/25/05/352782505.db2.gz HBYCQNSAHNBBKD-AWEZNQCLSA-N 1 3 271.405 -0.512 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)N1CCN2CCC[C@H]2C1 ZINC000331483443 352918360 /nfs/dbraw/zinc/91/83/60/352918360.db2.gz IUAUINICXCYPJN-AWEZNQCLSA-N 1 3 295.431 -0.229 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331589498 352926117 /nfs/dbraw/zinc/92/61/17/352926117.db2.gz GMPYTXSWRJYKFJ-NWDGAFQWSA-N 1 3 280.372 -0.839 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332638948 352971607 /nfs/dbraw/zinc/97/16/07/352971607.db2.gz KYLZXTYENVFJSF-QWHCGFSZSA-N 1 3 294.399 -0.497 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332184616 352939102 /nfs/dbraw/zinc/93/91/02/352939102.db2.gz AMATUQYZNLVPST-OLZOCXBDSA-N 1 3 294.399 -0.497 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332192150 352939352 /nfs/dbraw/zinc/93/93/52/352939352.db2.gz BAZGVWYZZPZZPD-VXGBXAGGSA-N 1 3 280.372 -0.887 20 0 CBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332229512 352940565 /nfs/dbraw/zinc/94/05/65/352940565.db2.gz LSTXPURSNWXAEZ-XQQFMLRXSA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332263763 352941428 /nfs/dbraw/zinc/94/14/28/352941428.db2.gz UCSLYROOHNFELN-VOAKCMCISA-N 1 3 294.399 -0.513 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332549180 352964647 /nfs/dbraw/zinc/96/46/47/352964647.db2.gz IKBBWAFGCNSWNR-FRRDWIJNSA-N 1 3 294.399 -0.321 20 0 CBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332577640 352968131 /nfs/dbraw/zinc/96/81/31/352968131.db2.gz ADLJBUVWWGIKGP-STQMWFEESA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CN1C1CC1 ZINC000333294655 352999972 /nfs/dbraw/zinc/99/99/72/352999972.db2.gz IDSAWHMVLODELS-NTZNESFSSA-N 1 3 282.388 -0.019 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H](C)CN1 ZINC000333481152 353001594 /nfs/dbraw/zinc/00/15/94/353001594.db2.gz CCRSSUPSXVWPIA-UTUOFQBUSA-N 1 3 270.377 -0.243 20 0 CBADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CNCCO2)CCC1 ZINC000333641488 353006584 /nfs/dbraw/zinc/00/65/84/353006584.db2.gz UKFXBZJXVYCCGF-LLVKDONJSA-N 1 3 270.377 -0.242 20 0 CBADHO CC[N@H+](CCNC(=O)N1CCOC2(CNC2)C1)C1CC1 ZINC000333820092 353011808 /nfs/dbraw/zinc/01/18/08/353011808.db2.gz QZHNTMNAYYRHNY-UHFFFAOYSA-N 1 3 282.388 -0.146 20 0 CBADHO CC[N@@H+](CCNC(=O)N1CCOC2(CNC2)C1)C1CC1 ZINC000333820092 353011811 /nfs/dbraw/zinc/01/18/11/353011811.db2.gz QZHNTMNAYYRHNY-UHFFFAOYSA-N 1 3 282.388 -0.146 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[N@H+](C)C(C)C ZINC000336804626 353055722 /nfs/dbraw/zinc/05/57/22/353055722.db2.gz GYTBEAICIOZXJE-GFCCVEGCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[N@@H+](C)C(C)C ZINC000336804626 353055725 /nfs/dbraw/zinc/05/57/25/353055725.db2.gz GYTBEAICIOZXJE-GFCCVEGCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C(=O)NCC[NH2+]C(C)(C)C)S(C)(=O)=O ZINC000153873220 188109036 /nfs/dbraw/zinc/10/90/36/188109036.db2.gz HFPASNPYNLOJTG-QMMMGPOBSA-N 1 3 250.364 -0.076 20 0 CBADHO C[C@@H]1C[C@@H](O)CN1CCOCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340922084 353193231 /nfs/dbraw/zinc/19/32/31/353193231.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@@H](O)CN1CCOCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340922084 353193235 /nfs/dbraw/zinc/19/32/35/353193235.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340922084 353193238 /nfs/dbraw/zinc/19/32/38/353193238.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000340922084 353193240 /nfs/dbraw/zinc/19/32/40/353193240.db2.gz XTDUTYLWJXQJEV-SYQHCUMBSA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C[NH+](C)C ZINC000341230066 353206186 /nfs/dbraw/zinc/20/61/86/353206186.db2.gz OZMQEJVBKGZJRN-QWHCGFSZSA-N 1 3 298.431 -0.290 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCC[NH+](C)C)C1 ZINC000342661370 353226013 /nfs/dbraw/zinc/22/60/13/353226013.db2.gz IWFMTFVREFQUJZ-LLVKDONJSA-N 1 3 258.366 -0.432 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000342699727 353228115 /nfs/dbraw/zinc/22/81/15/353228115.db2.gz AOJBLRXJZWYOAD-NWDGAFQWSA-N 1 3 282.388 -0.878 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342695929 353228361 /nfs/dbraw/zinc/22/83/61/353228361.db2.gz GXMHMZMXYLDZHK-GHMZBOCLSA-N 1 3 287.360 -0.896 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@H+](C)C1CC1 ZINC000343245343 353261643 /nfs/dbraw/zinc/26/16/43/353261643.db2.gz CCEPONGOZFKMCZ-TZMCWYRMSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@@H+](C)C1CC1 ZINC000343245343 353261646 /nfs/dbraw/zinc/26/16/46/353261646.db2.gz CCEPONGOZFKMCZ-TZMCWYRMSA-N 1 3 280.416 -0.025 20 0 CBADHO CN(CCNC(=O)C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000343287931 353264270 /nfs/dbraw/zinc/26/42/70/353264270.db2.gz PMEWIPHOPYTAAH-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000343287931 353264272 /nfs/dbraw/zinc/26/42/72/353264272.db2.gz PMEWIPHOPYTAAH-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H](C(=O)NC(N)=O)N(C)CCCN(C)CC[NH+](C)C ZINC000344031066 353303224 /nfs/dbraw/zinc/30/32/24/353303224.db2.gz OZNLNWWRJLXQNJ-NSHDSACASA-N 1 3 287.408 -0.615 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)NCCNc1ccncc1 ZINC000418561616 295862290 /nfs/dbraw/zinc/86/22/90/295862290.db2.gz QRCNUCCZYZNDIS-JTQLQIEISA-N 1 3 251.334 -0.048 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[NH+](C)C)CC1=O ZINC000346129178 353362656 /nfs/dbraw/zinc/36/26/56/353362656.db2.gz MGGDQOPRIJDYED-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157625 353364514 /nfs/dbraw/zinc/36/45/14/353364514.db2.gz CBZNCLAEZHLLSQ-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000346227796 353366749 /nfs/dbraw/zinc/36/67/49/353366749.db2.gz QSMCKZONDSNIDT-RYUDHWBXSA-N 1 3 254.378 -0.557 20 0 CBADHO O=C(CCOC1CNC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348998131 353444200 /nfs/dbraw/zinc/44/42/00/353444200.db2.gz KJBJWEQIORNWHB-LLVKDONJSA-N 1 3 253.346 -0.329 20 0 CBADHO O=C(CCOC1CNC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000348998131 353444203 /nfs/dbraw/zinc/44/42/03/353444203.db2.gz KJBJWEQIORNWHB-LLVKDONJSA-N 1 3 253.346 -0.329 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000349009550 353445009 /nfs/dbraw/zinc/44/50/09/353445009.db2.gz XGRWPSCRHLLNLZ-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000349009550 353445010 /nfs/dbraw/zinc/44/50/10/353445010.db2.gz XGRWPSCRHLLNLZ-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000349935835 353468327 /nfs/dbraw/zinc/46/83/27/353468327.db2.gz KLYRXRLUCHQPSM-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CS(=O)(=O)NC[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357067535 353601889 /nfs/dbraw/zinc/60/18/89/353601889.db2.gz FHEMPTMTPNQETM-LLVKDONJSA-N 1 3 279.406 -0.777 20 0 CBADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000358097968 353626005 /nfs/dbraw/zinc/62/60/05/353626005.db2.gz OCVSPERBLQYKOO-KBPBESRZSA-N 1 3 280.416 -0.214 20 0 CBADHO CCN1CCC(NC(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358114264 353627208 /nfs/dbraw/zinc/62/72/08/353627208.db2.gz DHGUKOWKBRZFIK-ZDUSSCGKSA-N 1 3 284.404 -0.754 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358679874 353650000 /nfs/dbraw/zinc/65/00/00/353650000.db2.gz AZDZMGHPRMVKBR-WCQYABFASA-N 1 3 272.393 -0.308 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCSC1 ZINC000357927635 353614944 /nfs/dbraw/zinc/61/49/44/353614944.db2.gz LPBAGFVWOHHGKF-NHCYSSNCSA-N 1 3 273.402 -0.737 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000361710737 353663446 /nfs/dbraw/zinc/66/34/46/353663446.db2.gz LYIKCFLSELIPDW-KGLIPLIRSA-N 1 3 280.416 -0.166 20 0 CBADHO CN([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC000363478489 353669987 /nfs/dbraw/zinc/66/99/87/353669987.db2.gz LUKNLUZCCZPGJB-ZIAGYGMSSA-N 1 3 280.416 -0.025 20 0 CBADHO O=C(N[C@H]1CCN(C2CCCC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329690 353673541 /nfs/dbraw/zinc/67/35/41/353673541.db2.gz WSZYDKIQQXMSQB-WCFLWFBJSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H](O)CN1 ZINC000365329690 353673543 /nfs/dbraw/zinc/67/35/43/353673543.db2.gz WSZYDKIQQXMSQB-WCFLWFBJSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H](O)CN1 ZINC000365329690 353673547 /nfs/dbraw/zinc/67/35/47/353673547.db2.gz WSZYDKIQQXMSQB-WCFLWFBJSA-N 1 3 267.373 -0.158 20 0 CBADHO CCC[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367994116 353684177 /nfs/dbraw/zinc/68/41/77/353684177.db2.gz PQTHXUJHJAQJCI-VXGBXAGGSA-N 1 3 254.378 -0.380 20 0 CBADHO COCC[NH2+]CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000371313784 353699785 /nfs/dbraw/zinc/69/97/85/353699785.db2.gz NRFCQSKLGJWUIO-UHFFFAOYSA-N 1 3 277.368 -0.165 20 0 CBADHO COCC1(CNC(=O)[C@H]2C[C@H](F)CN2)CC[NH2+]CC1 ZINC000375058820 353752797 /nfs/dbraw/zinc/75/27/97/353752797.db2.gz LGBJZGRSJOJTEU-WDEREUQCSA-N 1 3 273.352 -0.181 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000378207876 353780236 /nfs/dbraw/zinc/78/02/36/353780236.db2.gz SQEURUSZXQEPMA-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000378638238 353780920 /nfs/dbraw/zinc/78/09/20/353780920.db2.gz APNRJCZJASBFBV-ZDUSSCGKSA-N 1 3 266.389 -0.556 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000400212033 353800365 /nfs/dbraw/zinc/80/03/65/353800365.db2.gz VQPDBXNRAKVMNM-VWYCJHECSA-N 1 3 261.391 -0.120 20 0 CBADHO CCNC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389451706 353791494 /nfs/dbraw/zinc/79/14/94/353791494.db2.gz WLXMQUWFWXJTGF-PHIMTYICSA-N 1 3 268.361 -0.237 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417440847 353977328 /nfs/dbraw/zinc/97/73/28/353977328.db2.gz PDXPMNQJKULKRM-VXGBXAGGSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417443333 353978055 /nfs/dbraw/zinc/97/80/55/353978055.db2.gz XWYSYIQKVWDJEI-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN1CC[C@H](NC(=O)N2CCN[C@H](C)C2)C1 ZINC000417700707 353981320 /nfs/dbraw/zinc/98/13/20/353981320.db2.gz HGCZPNIXVZJROQ-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)C2)C1 ZINC000417700707 353981321 /nfs/dbraw/zinc/98/13/21/353981321.db2.gz HGCZPNIXVZJROQ-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)C2)C1 ZINC000417700707 353981322 /nfs/dbraw/zinc/98/13/22/353981322.db2.gz HGCZPNIXVZJROQ-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417837067 353983780 /nfs/dbraw/zinc/98/37/80/353983780.db2.gz PMHZNIATJFDRSW-AAEUAGOBSA-N 1 3 284.404 -0.280 20 0 CBADHO CC1(C)CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCN1 ZINC000417830221 353983812 /nfs/dbraw/zinc/98/38/12/353983812.db2.gz IYPBVQODCCEURA-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)[C@@H](C)CN1 ZINC000418066683 353987422 /nfs/dbraw/zinc/98/74/22/353987422.db2.gz LSVJHWZVRZLENR-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO CN(C)CCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000418061161 353987448 /nfs/dbraw/zinc/98/74/48/353987448.db2.gz DFCSLDQFKZZJOE-UHFFFAOYSA-N 1 3 258.366 -0.255 20 0 CBADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418114794 353987464 /nfs/dbraw/zinc/98/74/64/353987464.db2.gz MRPMUOVTETYWGP-CYBMUJFWSA-N 1 3 284.404 -0.034 20 0 CBADHO CN(C)CCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418068040 353987786 /nfs/dbraw/zinc/98/77/86/353987786.db2.gz NOMKRMNQGYNOAV-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOCCN(C)C ZINC000418067259 353987806 /nfs/dbraw/zinc/98/78/06/353987806.db2.gz MLONFPVPYKQCMM-NEPJUHHUSA-N 1 3 272.393 -0.138 20 0 CBADHO [NH3+]CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418292560 353991047 /nfs/dbraw/zinc/99/10/47/353991047.db2.gz CRKHSZVXGSJSAW-HNNXBMFYSA-N 1 3 292.383 -0.119 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418350040 353993776 /nfs/dbraw/zinc/99/37/76/353993776.db2.gz QOPPQRUOHUQONI-ZDUSSCGKSA-N 1 3 286.420 -0.011 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418351908 353993801 /nfs/dbraw/zinc/99/38/01/353993801.db2.gz BPCGQYQIEJCJBO-NSHDSACASA-N 1 3 260.382 -0.545 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418365193 353995218 /nfs/dbraw/zinc/99/52/18/353995218.db2.gz DVHSLPBZLRCMCL-QWHCGFSZSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(CCCO)C1 ZINC000418382606 353996012 /nfs/dbraw/zinc/99/60/12/353996012.db2.gz MLIYCJKAXLLPFV-OLZOCXBDSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(CCCO)C1 ZINC000418382610 353996072 /nfs/dbraw/zinc/99/60/72/353996072.db2.gz MLIYCJKAXLLPFV-STQMWFEESA-N 1 3 284.404 -0.116 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000418378005 353996251 /nfs/dbraw/zinc/99/62/51/353996251.db2.gz ZXZAAIVLIADBMZ-JHJVBQTASA-N 1 3 286.420 -0.062 20 0 CBADHO [NH3+]C[C@@H](NC(=O)NCCNc1ccncc1)C1CC1 ZINC000418400328 353996483 /nfs/dbraw/zinc/99/64/83/353996483.db2.gz MJFIGLBJDMWSCX-GFCCVEGCSA-N 1 3 263.345 -0.048 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418407486 353996571 /nfs/dbraw/zinc/99/65/71/353996571.db2.gz FQAIXFDOARVYTE-OBJOEFQTSA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+]CCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000414688648 353963345 /nfs/dbraw/zinc/96/33/45/353963345.db2.gz DMXFTYKYVQPTRC-UHFFFAOYSA-N 1 3 254.378 -0.425 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419226538 354039684 /nfs/dbraw/zinc/03/96/84/354039684.db2.gz JEMFQOPVMOWROA-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000418491451 353998874 /nfs/dbraw/zinc/99/88/74/353998874.db2.gz OGTLITDSDRBSAZ-JGVFFNPUSA-N 1 3 250.293 -0.122 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418495365 353998884 /nfs/dbraw/zinc/99/88/84/353998884.db2.gz UMKFIMOUBAPHFY-NEPJUHHUSA-N 1 3 272.393 -0.273 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)NCCNc1ccncc1 ZINC000418490100 353999509 /nfs/dbraw/zinc/99/95/09/353999509.db2.gz MTBMBNDYGRREJX-SNVBAGLBSA-N 1 3 251.334 -0.191 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418507586 353999988 /nfs/dbraw/zinc/99/99/88/353999988.db2.gz LCHKAVLAHWADBE-QWRGUYRKSA-N 1 3 258.366 -0.386 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418503554 354000460 /nfs/dbraw/zinc/00/04/60/354000460.db2.gz YETKYOKNHKYUDL-LBPRGKRZSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCNCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418512672 354001124 /nfs/dbraw/zinc/00/11/24/354001124.db2.gz UGYHIBUXGKVSCV-RWMBFGLXSA-N 1 3 284.404 -0.009 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418614689 354004375 /nfs/dbraw/zinc/00/43/75/354004375.db2.gz GIMGLLWQKOLZOQ-TZMCWYRMSA-N 1 3 284.404 -0.130 20 0 CBADHO CCN(CCO)CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418651117 354005204 /nfs/dbraw/zinc/00/52/04/354005204.db2.gz XZBREXHRHDIVKD-UHFFFAOYSA-N 1 3 284.404 -0.090 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418734392 354005732 /nfs/dbraw/zinc/00/57/32/354005732.db2.gz RYVUTCLEKYWUCU-VXGBXAGGSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CNCCO1 ZINC000418762172 354007359 /nfs/dbraw/zinc/00/73/59/354007359.db2.gz IQAHYMNGVHHJBI-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418759567 354007367 /nfs/dbraw/zinc/00/73/67/354007367.db2.gz GLUGRRBEUHZSQW-HBNTYKKESA-N 1 3 256.350 -0.633 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418955464 354017257 /nfs/dbraw/zinc/01/72/57/354017257.db2.gz YFHYKWBURCOJAQ-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018921 354023679 /nfs/dbraw/zinc/02/36/79/354023679.db2.gz CVUSIUXPAPZSSG-XQHKEYJVSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419030612 354025091 /nfs/dbraw/zinc/02/50/91/354025091.db2.gz UBYHNKDNTYHFID-FRRDWIJNSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419081215 354027066 /nfs/dbraw/zinc/02/70/66/354027066.db2.gz RHTSMVBRUXSKOQ-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(CCNC(=O)C(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000419110710 354028995 /nfs/dbraw/zinc/02/89/95/354028995.db2.gz SSQHEBCBONYGAL-UHFFFAOYSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCN)C(C)(C)C ZINC000419131206 354029304 /nfs/dbraw/zinc/02/93/04/354029304.db2.gz GJVLDTIHNRNYHN-SNVBAGLBSA-N 1 3 272.393 -0.456 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419120467 354029728 /nfs/dbraw/zinc/02/97/28/354029728.db2.gz LIFCMRHAYHSFLY-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419138170 354030383 /nfs/dbraw/zinc/03/03/83/354030383.db2.gz QKGIIIWZDOZYGN-XQQFMLRXSA-N 1 3 296.415 -0.171 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419222686 354038091 /nfs/dbraw/zinc/03/80/91/354038091.db2.gz BVXBVQMBIOJEKU-LBPRGKRZSA-N 1 3 282.388 -0.558 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419581934 354063273 /nfs/dbraw/zinc/06/32/73/354063273.db2.gz IUYNZAMZFCNHAP-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419577882 354063847 /nfs/dbraw/zinc/06/38/47/354063847.db2.gz DFUWSJGYTGNZLP-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419581003 354063862 /nfs/dbraw/zinc/06/38/62/354063862.db2.gz ICPIGZDVFBICCW-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419585817 354064264 /nfs/dbraw/zinc/06/42/64/354064264.db2.gz MKVDUSPFWOVKKS-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419595433 354064834 /nfs/dbraw/zinc/06/48/34/354064834.db2.gz WUIVINNZZOENTC-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N(C)C1CC1 ZINC000419587104 354064944 /nfs/dbraw/zinc/06/49/44/354064944.db2.gz NGEKBAIBLVYKIH-JTQLQIEISA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000419588510 354065262 /nfs/dbraw/zinc/06/52/62/354065262.db2.gz OJJJGSYZXKTNMD-NTZNESFSSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C1CC1 ZINC000419594766 354065561 /nfs/dbraw/zinc/06/55/61/354065561.db2.gz VGYBAVNELRRGGM-UTUOFQBUSA-N 1 3 294.399 -0.737 20 0 CBADHO C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCC1 ZINC000419692101 354069747 /nfs/dbraw/zinc/06/97/47/354069747.db2.gz FVDWXWXNKOLLBA-CYBMUJFWSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCC1 ZINC000419692101 354069750 /nfs/dbraw/zinc/06/97/50/354069750.db2.gz FVDWXWXNKOLLBA-CYBMUJFWSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419694425 354069837 /nfs/dbraw/zinc/06/98/37/354069837.db2.gz JEOCFSWWIFUSRR-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698022 354070308 /nfs/dbraw/zinc/07/03/08/354070308.db2.gz RRLPHQXQEUBVCM-MNOVXSKESA-N 1 3 282.388 -0.417 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000419873626 354088146 /nfs/dbraw/zinc/08/81/46/354088146.db2.gz MWLYZQJQZGDTFX-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419739257 354073685 /nfs/dbraw/zinc/07/36/85/354073685.db2.gz VYXQBCQGFYKAMI-STQMWFEESA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419736721 354073975 /nfs/dbraw/zinc/07/39/75/354073975.db2.gz RTVGYWDJUJKIES-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419741287 354074878 /nfs/dbraw/zinc/07/48/78/354074878.db2.gz YYNCYPVGVMHWJP-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419768227 354076559 /nfs/dbraw/zinc/07/65/59/354076559.db2.gz UBUCVAWAZOBXTI-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419780243 354077012 /nfs/dbraw/zinc/07/70/12/354077012.db2.gz QNOYFHMEDJRNOE-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419783816 354077216 /nfs/dbraw/zinc/07/72/16/354077216.db2.gz VQMLKNJBVDTBEX-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCCNCC1)C[NH+]1CCCC1 ZINC000419832553 354081912 /nfs/dbraw/zinc/08/19/12/354081912.db2.gz RPRZEPNKFPKJJA-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC1 ZINC000419837547 354082006 /nfs/dbraw/zinc/08/20/06/354082006.db2.gz DCVIHHMPNOTBCD-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[NH3+])N1CCC[C@@H](C)C1 ZINC000419839248 354083334 /nfs/dbraw/zinc/08/33/34/354083334.db2.gz QBUYNVNNTKWJDT-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419856602 354085613 /nfs/dbraw/zinc/08/56/13/354085613.db2.gz SNFYARAYGXDNOT-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860408 354086498 /nfs/dbraw/zinc/08/64/98/354086498.db2.gz KRPYOZMWDMVQRC-NEPJUHHUSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419289140 354044146 /nfs/dbraw/zinc/04/41/46/354044146.db2.gz SUZRSBHMCDRHKR-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419289139 354044738 /nfs/dbraw/zinc/04/47/38/354044738.db2.gz SUZRSBHMCDRHKR-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419405146 354050956 /nfs/dbraw/zinc/05/09/56/354050956.db2.gz HHUMVPQKRCSBEV-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419402630 354051678 /nfs/dbraw/zinc/05/16/78/354051678.db2.gz COUUKCLBNNUMLE-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419409621 354052803 /nfs/dbraw/zinc/05/28/03/354052803.db2.gz NFRYIYQMUVTYNY-CHWSQXEVSA-N 1 3 298.431 -0.194 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419419058 354053584 /nfs/dbraw/zinc/05/35/84/354053584.db2.gz YUKIQALSNYPOBH-CYBMUJFWSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419428033 354053684 /nfs/dbraw/zinc/05/36/84/354053684.db2.gz SLZCMVGFNFWEOP-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419417175 354053735 /nfs/dbraw/zinc/05/37/35/354053735.db2.gz WZGYEXWAIDQEFB-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419416537 354053785 /nfs/dbraw/zinc/05/37/85/354053785.db2.gz WHJSYLZLBIQXQJ-CYBMUJFWSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419417047 354053881 /nfs/dbraw/zinc/05/38/81/354053881.db2.gz HQPFIXQLSLDNBR-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000419432163 354054322 /nfs/dbraw/zinc/05/43/22/354054322.db2.gz XVSRSKATOVQIOP-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419428882 354054449 /nfs/dbraw/zinc/05/44/49/354054449.db2.gz UCCMAUIFCFXCQF-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419529438 354058396 /nfs/dbraw/zinc/05/83/96/354058396.db2.gz XTBIXCFVZGZPEH-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN(CC)C1CC1 ZINC000419526914 354058751 /nfs/dbraw/zinc/05/87/51/354058751.db2.gz UEJQZACZCHAHGL-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000419530287 354058820 /nfs/dbraw/zinc/05/88/20/354058820.db2.gz YUKSZGWZPOYHBW-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419537167 354059358 /nfs/dbraw/zinc/05/93/58/354059358.db2.gz CGMZFBLGEKOAAS-NXEZZACHSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419530422 354059703 /nfs/dbraw/zinc/05/97/03/354059703.db2.gz ZHUNOYIBVWGHDM-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419881364 354089161 /nfs/dbraw/zinc/08/91/61/354089161.db2.gz WDZPAEURSVEUNH-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000419936942 354094605 /nfs/dbraw/zinc/09/46/05/354094605.db2.gz MGWYUWKNUHQPNL-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944852 354095325 /nfs/dbraw/zinc/09/53/25/354095325.db2.gz BQLHYZHHQPNEJX-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419948667 354095534 /nfs/dbraw/zinc/09/55/34/354095534.db2.gz KLWYTKWGASYYNW-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000419981319 354098877 /nfs/dbraw/zinc/09/88/77/354098877.db2.gz RZYNBWMXIPIIMP-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419978145 354099273 /nfs/dbraw/zinc/09/92/73/354099273.db2.gz NSWUPPYWHMKUGO-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000419974539 354099463 /nfs/dbraw/zinc/09/94/63/354099463.db2.gz JPWBYUMABXRXNM-RWMBFGLXSA-N 1 3 298.431 -0.197 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000419981321 354099568 /nfs/dbraw/zinc/09/95/68/354099568.db2.gz RZYNBWMXIPIIMP-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420010451 354101971 /nfs/dbraw/zinc/10/19/71/354101971.db2.gz XLNMCZGMIVPBJJ-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CCN(C)C ZINC000420022210 354102845 /nfs/dbraw/zinc/10/28/45/354102845.db2.gz VLYBIOUXBFVQOL-JTQLQIEISA-N 1 3 258.366 -0.894 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420034778 354104026 /nfs/dbraw/zinc/10/40/26/354104026.db2.gz JPJYHUGPNAQKCR-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO COC(=O)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420313174 354122789 /nfs/dbraw/zinc/12/27/89/354122789.db2.gz PGSYUYGDGYHTHL-NSHDSACASA-N 1 3 271.361 -0.131 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC(=O)N1CCNCC1 ZINC000420366286 354125733 /nfs/dbraw/zinc/12/57/33/354125733.db2.gz LZZNXXVSDZIPSS-DYEKYZERSA-N 1 3 268.405 -0.216 20 0 CBADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000420366286 354125736 /nfs/dbraw/zinc/12/57/36/354125736.db2.gz LZZNXXVSDZIPSS-DYEKYZERSA-N 1 3 268.405 -0.216 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000423208390 354165914 /nfs/dbraw/zinc/16/59/14/354165914.db2.gz HUULRUNRWPFCED-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423422957 354175523 /nfs/dbraw/zinc/17/55/23/354175523.db2.gz LMDHKTMAUBYGSJ-AWEZNQCLSA-N 1 3 287.404 -0.303 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423422961 354175953 /nfs/dbraw/zinc/17/59/53/354175953.db2.gz LMDHKTMAUBYGSJ-CQSZACIVSA-N 1 3 287.404 -0.303 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422268777 354145174 /nfs/dbraw/zinc/14/51/74/354145174.db2.gz KTQAJJRYCYBTQE-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000422614461 354150530 /nfs/dbraw/zinc/15/05/30/354150530.db2.gz YREJKAHBMUDXRZ-WYUUTHIRSA-N 1 3 252.362 -0.060 20 0 CBADHO C[C@H]1CCNC[C@@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000422708319 354151136 /nfs/dbraw/zinc/15/11/36/354151136.db2.gz BOAHPLPKBFIMMW-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO CN1CCN(C(=O)CCN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422714153 354151283 /nfs/dbraw/zinc/15/12/83/354151283.db2.gz KSJCYBFJVSZBKM-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422714153 354151285 /nfs/dbraw/zinc/15/12/85/354151285.db2.gz KSJCYBFJVSZBKM-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CCC[C@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000422739202 354152160 /nfs/dbraw/zinc/15/21/60/354152160.db2.gz KSSASQFLIIXZLN-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CCC[C@@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000422739204 354152439 /nfs/dbraw/zinc/15/24/39/354152439.db2.gz KSSASQFLIIXZLN-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422967724 354158370 /nfs/dbraw/zinc/15/83/70/354158370.db2.gz CHNRPGCRAIEZDS-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000423065563 354161799 /nfs/dbraw/zinc/16/17/99/354161799.db2.gz UUMCNIKNYQWFQB-LBPRGKRZSA-N 1 3 286.420 -0.162 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC1 ZINC000423566899 354180576 /nfs/dbraw/zinc/18/05/76/354180576.db2.gz CLSUGWZWLZZARR-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000423589856 354181830 /nfs/dbraw/zinc/18/18/30/354181830.db2.gz IFQGEMAHCSHWQZ-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000423638369 354187796 /nfs/dbraw/zinc/18/77/96/354187796.db2.gz DPNMJFBCIWYNPY-GRYCIOLGSA-N 1 3 282.388 -0.655 20 0 CBADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000423670169 354190173 /nfs/dbraw/zinc/19/01/73/354190173.db2.gz LVXLGBYGNKWADQ-XQQFMLRXSA-N 1 3 269.389 -0.019 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423714755 354192837 /nfs/dbraw/zinc/19/28/37/354192837.db2.gz SODACNIQJLMNDK-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423750580 354197668 /nfs/dbraw/zinc/19/76/68/354197668.db2.gz UGPHHPGWSVTRAG-OLZOCXBDSA-N 1 3 287.404 -0.081 20 0 CBADHO CCN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424157071 354212469 /nfs/dbraw/zinc/21/24/69/354212469.db2.gz PBJQVSQDERVOMM-NSHDSACASA-N 1 3 280.376 -0.116 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)CN1CCN(C)CC1 ZINC000431016187 354251834 /nfs/dbraw/zinc/25/18/34/354251834.db2.gz YVUMLOZCEFMTFX-KBPBESRZSA-N 1 3 298.431 -0.635 20 0 CBADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)CN1 ZINC000432537903 354252299 /nfs/dbraw/zinc/25/22/99/354252299.db2.gz IKENJHYZPILXDX-NNYUYHANSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H](O)CN1 ZINC000432537903 354252303 /nfs/dbraw/zinc/25/23/03/354252303.db2.gz IKENJHYZPILXDX-NNYUYHANSA-N 1 3 253.346 -0.548 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000447438386 354298744 /nfs/dbraw/zinc/29/87/44/354298744.db2.gz FGPOFJMRZONWAG-CMPLNLGQSA-N 1 3 275.418 -0.096 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444268906 354267265 /nfs/dbraw/zinc/26/72/65/354267265.db2.gz OXMZVCIHAWMQCY-DZGCQCFKSA-N 1 3 280.416 -0.260 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444271826 354267518 /nfs/dbraw/zinc/26/75/18/354267518.db2.gz ZZTWACJCMKIYHL-UKRRQHHQSA-N 1 3 280.416 -0.260 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)CN1CCN(C)CC1 ZINC000444265400 354267852 /nfs/dbraw/zinc/26/78/52/354267852.db2.gz GWQYRPKTQHGXOK-VXGBXAGGSA-N 1 3 254.378 -0.652 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449325693 354319826 /nfs/dbraw/zinc/31/98/26/354319826.db2.gz OXDBLCQBUPCSJR-VXGBXAGGSA-N 1 3 257.378 -0.074 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@H](C)[NH3+] ZINC000449601671 354321025 /nfs/dbraw/zinc/32/10/25/354321025.db2.gz NNSPVJQFDGZYIK-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726358 354321710 /nfs/dbraw/zinc/32/17/10/354321710.db2.gz KLKXONUSYXEBQT-YNEHKIRRSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471640893 354401756 /nfs/dbraw/zinc/40/17/56/354401756.db2.gz CELWEEZEXVUHKJ-UHFFFAOYSA-N 1 3 272.393 -0.088 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000487237216 354412926 /nfs/dbraw/zinc/41/29/26/354412926.db2.gz XWPBJUCBFSYDTH-RYUDHWBXSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000487237216 354412928 /nfs/dbraw/zinc/41/29/28/354412928.db2.gz XWPBJUCBFSYDTH-RYUDHWBXSA-N 1 3 257.378 -0.122 20 0 CBADHO CN(C)C/C=C\C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491871514 354461039 /nfs/dbraw/zinc/46/10/39/354461039.db2.gz QSAXEMJBWMOODT-IRBQFCFKSA-N 1 3 296.415 -0.192 20 0 CBADHO CN(C)C/C=C\C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491871514 354461040 /nfs/dbraw/zinc/46/10/40/354461040.db2.gz QSAXEMJBWMOODT-IRBQFCFKSA-N 1 3 296.415 -0.192 20 0 CBADHO CN(C)CCN1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491884735 354461073 /nfs/dbraw/zinc/46/10/73/354461073.db2.gz NCYIPMZWILDTCC-WAYWQWQTSA-N 1 3 268.405 -0.190 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495147059 354498734 /nfs/dbraw/zinc/49/87/34/354498734.db2.gz NLCXNKLJFDYFDQ-IMRBUKKESA-N 1 3 266.389 -0.652 20 0 CBADHO CN[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000519611452 354565311 /nfs/dbraw/zinc/56/53/11/354565311.db2.gz LHFMFNJHVXPTGU-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CN[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000519611452 354565313 /nfs/dbraw/zinc/56/53/13/354565313.db2.gz LHFMFNJHVXPTGU-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000520565585 354568517 /nfs/dbraw/zinc/56/85/17/354568517.db2.gz OJMWGNUPJNOIQX-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265146 354685803 /nfs/dbraw/zinc/68/58/03/354685803.db2.gz AFDKLHAZIAWMLM-GRYCIOLGSA-N 1 3 296.415 -0.443 20 0 CBADHO CN(CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563055009 354693741 /nfs/dbraw/zinc/69/37/41/354693741.db2.gz JSENRXAWAAERHR-NSHDSACASA-N 1 3 292.387 -0.146 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000563100218 354696906 /nfs/dbraw/zinc/69/69/06/354696906.db2.gz XBOYOOSXFSLYHQ-NWDGAFQWSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000563109380 354697177 /nfs/dbraw/zinc/69/71/77/354697177.db2.gz ASOJLIRLTVWBPT-AAEUAGOBSA-N 1 3 296.415 -0.027 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000563143661 354699144 /nfs/dbraw/zinc/69/91/44/354699144.db2.gz QVYAAFNAANUZCV-QWHCGFSZSA-N 1 3 286.347 -0.127 20 0 CBADHO O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000563150063 354699979 /nfs/dbraw/zinc/69/99/79/354699979.db2.gz XUJKQVBOCLJHOU-CHWSQXEVSA-N 1 3 266.389 -0.650 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564456786 354712906 /nfs/dbraw/zinc/71/29/06/354712906.db2.gz ORYCOFVIUXDVGQ-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932845 354720813 /nfs/dbraw/zinc/72/08/13/354720813.db2.gz JRWASVHVKJXRAG-UONOGXRCSA-N 1 3 296.415 -0.739 20 0 CBADHO N[C@H]1C[C@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233710 354733798 /nfs/dbraw/zinc/73/37/98/354733798.db2.gz OXGCEKOEVFXQSS-RYUDHWBXSA-N 1 3 253.346 -0.343 20 0 CBADHO N[C@H]1C[C@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233710 354733800 /nfs/dbraw/zinc/73/38/00/354733800.db2.gz OXGCEKOEVFXQSS-RYUDHWBXSA-N 1 3 253.346 -0.343 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000565892326 354747908 /nfs/dbraw/zinc/74/79/08/354747908.db2.gz CKVJLMYYNUAYEP-JQWIXIFHSA-N 1 3 270.377 -0.718 20 0 CBADHO O=C(COC1CNC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000565950922 354749753 /nfs/dbraw/zinc/74/97/53/354749753.db2.gz ANOQWJRBBGVDGA-DGCLKSJQSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCCN(C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000566185537 354754885 /nfs/dbraw/zinc/75/48/85/354754885.db2.gz KAIIMVBXAXHMDJ-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000566212815 354757601 /nfs/dbraw/zinc/75/76/01/354757601.db2.gz WPVCXBBMJRTZMD-KBPBESRZSA-N 1 3 276.384 -0.251 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H](CN)c1ccccc1 ZINC000566212820 354757735 /nfs/dbraw/zinc/75/77/35/354757735.db2.gz WPVCXBBMJRTZMD-UONOGXRCSA-N 1 3 276.384 -0.251 20 0 CBADHO O=C(CCN1CCC[C@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC000566244876 354759169 /nfs/dbraw/zinc/75/91/69/354759169.db2.gz KDUOMYLLQBQETI-OAHLLOKOSA-N 1 3 280.416 -0.116 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566246864 354759767 /nfs/dbraw/zinc/75/97/67/354759767.db2.gz JBIJLWMCRFVFOR-SKDRFNHKSA-N 1 3 259.350 -0.244 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(CCCO)C1 ZINC000566510015 354769894 /nfs/dbraw/zinc/76/98/94/354769894.db2.gz ZIOKEEBWPUHPFM-NWDGAFQWSA-N 1 3 270.377 -0.506 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566512978 354770675 /nfs/dbraw/zinc/77/06/75/354770675.db2.gz RUUCOIJOHTVNJN-NWDGAFQWSA-N 1 3 282.388 -0.594 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000566618417 354772062 /nfs/dbraw/zinc/77/20/62/354772062.db2.gz KSOHRYQZUQZQMX-HZSPNIEDSA-N 1 3 298.431 -0.637 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000566797982 354775171 /nfs/dbraw/zinc/77/51/71/354775171.db2.gz UDYHHXROFUAJMS-ZIAGYGMSSA-N 1 3 268.357 -0.266 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000566858950 354776434 /nfs/dbraw/zinc/77/64/34/354776434.db2.gz JEXURISTIXVKFE-AEJSXWLSSA-N 1 3 257.334 -0.524 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566984602 354778723 /nfs/dbraw/zinc/77/87/23/354778723.db2.gz MYIJZEGZOZHICR-GARJFASQSA-N 1 3 280.372 -0.855 20 0 CBADHO CN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H](CN)C1 ZINC000567031381 354779628 /nfs/dbraw/zinc/77/96/28/354779628.db2.gz KDJSPWLUTZKZMY-STQMWFEESA-N 1 3 283.420 -0.212 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567168687 354782522 /nfs/dbraw/zinc/78/25/22/354782522.db2.gz TWZVHSLHNJAVJR-QXEWZRGKSA-N 1 3 258.366 -0.672 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000567262421 354784215 /nfs/dbraw/zinc/78/42/15/354784215.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000567262421 354784216 /nfs/dbraw/zinc/78/42/16/354784216.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000567262421 354784217 /nfs/dbraw/zinc/78/42/17/354784217.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 1 3 286.464 -0.085 20 0 CBADHO CCC[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+](C)C ZINC000567292424 354784895 /nfs/dbraw/zinc/78/48/95/354784895.db2.gz PROVWMXYNMIUDF-SDDRHHMPSA-N 1 3 282.388 -0.513 20 0 CBADHO CN1CCC[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567504151 354789493 /nfs/dbraw/zinc/78/94/93/354789493.db2.gz CWEKQRBXXVNBPU-NSHDSACASA-N 1 3 280.376 -0.302 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000565588830 354741297 /nfs/dbraw/zinc/74/12/97/354741297.db2.gz UEZSOEFYDAWHNW-LBPRGKRZSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000565588830 354741298 /nfs/dbraw/zinc/74/12/98/354741298.db2.gz UEZSOEFYDAWHNW-LBPRGKRZSA-N 1 3 296.415 -0.441 20 0 CBADHO CC1CCN(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000565727102 354744417 /nfs/dbraw/zinc/74/44/17/354744417.db2.gz CIVCFWNUCNHXJJ-QWHCGFSZSA-N 1 3 294.399 -0.511 20 0 CBADHO CC1CCN(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565727100 354744765 /nfs/dbraw/zinc/74/47/65/354744765.db2.gz CIVCFWNUCNHXJJ-CHWSQXEVSA-N 1 3 294.399 -0.511 20 0 CBADHO CN(C)CCN(C(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000567824721 354798958 /nfs/dbraw/zinc/79/89/58/354798958.db2.gz BHGFFEBHPTZPSM-UHFFFAOYSA-N 1 3 280.376 -0.207 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567822830 354799045 /nfs/dbraw/zinc/79/90/45/354799045.db2.gz YOKFHXYAAQLQTL-LLVKDONJSA-N 1 3 280.376 -0.207 20 0 CBADHO [NH3+]C[C@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000567834880 354799817 /nfs/dbraw/zinc/79/98/17/354799817.db2.gz OKQIWVWOZPTERC-VXGBXAGGSA-N 1 3 255.362 -0.048 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000567825368 354799937 /nfs/dbraw/zinc/79/99/37/354799937.db2.gz MJWJQXANDVUTJL-UHFFFAOYSA-N 1 3 280.376 -0.207 20 0 CBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1CCO)C1CC1 ZINC000567872826 354801612 /nfs/dbraw/zinc/80/16/12/354801612.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@@H](O)CNC[C@@H]1CCCCN1CCO)C1CC1 ZINC000567872826 354801614 /nfs/dbraw/zinc/80/16/14/354801614.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC[C@@H]1CCCCN1CCO)C1CC1 ZINC000567872826 354801617 /nfs/dbraw/zinc/80/16/17/354801617.db2.gz IBHAWZXRWAWCNR-GJZGRUSLSA-N 1 3 285.432 -0.122 20 0 CBADHO Cn1cc(C[C@@H](CO)CNC[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000567874708 354802404 /nfs/dbraw/zinc/80/24/04/354802404.db2.gz UKFPOTQQYDTIOQ-HIFRSBDPSA-N 1 3 296.415 -0.384 20 0 CBADHO Cn1cc(C[C@@H](CO)CNC[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000567874708 354802410 /nfs/dbraw/zinc/80/24/10/354802410.db2.gz UKFPOTQQYDTIOQ-HIFRSBDPSA-N 1 3 296.415 -0.384 20 0 CBADHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000567875426 354802716 /nfs/dbraw/zinc/80/27/16/354802716.db2.gz DQHRSUNOJGSADZ-HUUCEWRRSA-N 1 3 296.415 -0.074 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567975353 354806883 /nfs/dbraw/zinc/80/68/83/354806883.db2.gz RHFLVSKMGCRNRA-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@]2(O)CN3CCC2CC3)CC1 ZINC000568211622 354815395 /nfs/dbraw/zinc/81/53/95/354815395.db2.gz DIAHKMGSVWHYPI-HNNXBMFYSA-N 1 3 281.400 -0.099 20 0 CBADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568267882 354819267 /nfs/dbraw/zinc/81/92/67/354819267.db2.gz NWACLHHXCOHABE-VOAKCMCISA-N 1 3 294.399 -0.609 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568286791 354820743 /nfs/dbraw/zinc/82/07/43/354820743.db2.gz GQVGDFFVSJWNGM-RYUDHWBXSA-N 1 3 297.403 -0.718 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568296069 354821470 /nfs/dbraw/zinc/82/14/70/354821470.db2.gz YICVVANITBOGQS-UTUOFQBUSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568296069 354821475 /nfs/dbraw/zinc/82/14/75/354821475.db2.gz YICVVANITBOGQS-UTUOFQBUSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568296070 354821687 /nfs/dbraw/zinc/82/16/87/354821687.db2.gz YICVVANITBOGQS-WOPDTQHZSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568296070 354821692 /nfs/dbraw/zinc/82/16/92/354821692.db2.gz YICVVANITBOGQS-WOPDTQHZSA-N 1 3 295.387 -0.966 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000568877019 354833942 /nfs/dbraw/zinc/83/39/42/354833942.db2.gz MOLHPCAJKCFOTM-NEPJUHHUSA-N 1 3 283.372 -0.036 20 0 CBADHO COC[C@@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000568619426 354827693 /nfs/dbraw/zinc/82/76/93/354827693.db2.gz BWXZTYXXRJJXRS-IHRRRGAJSA-N 1 3 272.389 -0.039 20 0 CBADHO CCOC[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000567694057 354794628 /nfs/dbraw/zinc/79/46/28/354794628.db2.gz GWJABLXLBPPJDZ-AWEZNQCLSA-N 1 3 273.421 -0.001 20 0 CBADHO CC(C)(C(N)=O)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000570850324 354872062 /nfs/dbraw/zinc/87/20/62/354872062.db2.gz WEBSQPWUALCYFR-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569238673 354841024 /nfs/dbraw/zinc/84/10/24/354841024.db2.gz OBPBFJJNWPNHAL-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCN(CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000569720854 354845037 /nfs/dbraw/zinc/84/50/37/354845037.db2.gz JNJGUBXWWGRTCV-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000569967541 354851879 /nfs/dbraw/zinc/85/18/79/354851879.db2.gz UGPXHNUOUBKZGT-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000569967541 354851882 /nfs/dbraw/zinc/85/18/82/354851882.db2.gz UGPXHNUOUBKZGT-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000570426621 354861158 /nfs/dbraw/zinc/86/11/58/354861158.db2.gz KSEXKMZVRKPQNL-LLVKDONJSA-N 1 3 282.388 -0.689 20 0 CBADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)CN1CCOCC1 ZINC000570444898 354862000 /nfs/dbraw/zinc/86/20/00/354862000.db2.gz ZLFPSKFQGPUTPP-OAHLLOKOSA-N 1 3 283.416 -0.104 20 0 CBADHO CN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000570568702 354865111 /nfs/dbraw/zinc/86/51/11/354865111.db2.gz DWTTZWXEWQXIGO-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NCCNC(=O)c2ccn[nH]2)C1 ZINC000571895543 354883393 /nfs/dbraw/zinc/88/33/93/354883393.db2.gz RZBWIZUYYNMAKM-NXEZZACHSA-N 1 3 251.334 -0.001 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572134353 354887123 /nfs/dbraw/zinc/88/71/23/354887123.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 1 3 269.393 -0.635 20 0 CBADHO CCC[N@H+](CC)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000572235683 354889106 /nfs/dbraw/zinc/88/91/06/354889106.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO CCC[N@@H+](CC)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000572235683 354889110 /nfs/dbraw/zinc/88/91/10/354889110.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO CCCN(CC)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000572235683 354889112 /nfs/dbraw/zinc/88/91/12/354889112.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 1 3 286.464 -0.084 20 0 CBADHO CO[C@@H](CN)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000572241507 354889188 /nfs/dbraw/zinc/88/91/88/354889188.db2.gz YNORWINXSXNQPS-LBPRGKRZSA-N 1 3 266.345 -0.349 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000572494542 354891963 /nfs/dbraw/zinc/89/19/63/354891963.db2.gz YQLYEMSPDLFIGK-WOPDTQHZSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000572494542 354891965 /nfs/dbraw/zinc/89/19/65/354891965.db2.gz YQLYEMSPDLFIGK-WOPDTQHZSA-N 1 3 257.378 -0.067 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000572499102 354893010 /nfs/dbraw/zinc/89/30/10/354893010.db2.gz SMEQJMNXMYFEHD-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000572714588 354895332 /nfs/dbraw/zinc/89/53/32/354895332.db2.gz QHZTWIHKBQRCAS-LBPRGKRZSA-N 1 3 259.394 -0.391 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000572721825 354895925 /nfs/dbraw/zinc/89/59/25/354895925.db2.gz GSQIQPDQAWSFBC-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000572721826 354896244 /nfs/dbraw/zinc/89/62/44/354896244.db2.gz GSQIQPDQAWSFBC-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCOC3CNC3)C[C@H]21 ZINC000572991962 354902837 /nfs/dbraw/zinc/90/28/37/354902837.db2.gz IDDDHAWZEQDLMS-CYZMBNFOSA-N 1 3 267.373 -0.049 20 0 CBADHO C[C@@H](NC1CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241963 354908304 /nfs/dbraw/zinc/90/83/04/354908304.db2.gz WJBHHSXGTKWGGD-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](NC1CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000573241963 354908307 /nfs/dbraw/zinc/90/83/07/354908307.db2.gz WJBHHSXGTKWGGD-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573966392 354925460 /nfs/dbraw/zinc/92/54/60/354925460.db2.gz AUEYXKWCAKIXSE-MDZLAQPJSA-N 1 3 282.388 -0.561 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)CCN(C)C ZINC000574142148 354929221 /nfs/dbraw/zinc/92/92/21/354929221.db2.gz IIFFHXMXMFGFPC-CYBMUJFWSA-N 1 3 287.452 -0.023 20 0 CBADHO CC(C)(C)[NH2+]CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578668887 354953098 /nfs/dbraw/zinc/95/30/98/354953098.db2.gz SZQSHPZNNNGSRG-MNOVXSKESA-N 1 3 254.378 -0.382 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578889596 354957146 /nfs/dbraw/zinc/95/71/46/354957146.db2.gz RJONXGDTZNGZJA-DTWKUNHWSA-N 1 3 279.348 -0.849 20 0 CBADHO CC[C@@H]([NH3+])C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000578893980 354957472 /nfs/dbraw/zinc/95/74/72/354957472.db2.gz IPGDXLJCMXQKCP-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000573684882 354918340 /nfs/dbraw/zinc/91/83/40/354918340.db2.gz PXLZZELUGDCNOT-JOYOIKCWSA-N 1 3 257.334 -0.490 20 0 CBADHO O=C(CCOC1C[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000579005400 354960021 /nfs/dbraw/zinc/96/00/21/354960021.db2.gz ITNHMFLGVRHXIL-SECBINFHSA-N 1 3 263.288 -0.522 20 0 CBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000579828596 354979880 /nfs/dbraw/zinc/97/98/80/354979880.db2.gz GGSRFZOKNROJLM-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO CN1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1(C)C ZINC000580064585 354987321 /nfs/dbraw/zinc/98/73/21/354987321.db2.gz LGFZRIWKBGBNQX-CQSZACIVSA-N 1 3 295.431 -0.140 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580775401 354997547 /nfs/dbraw/zinc/99/75/47/354997547.db2.gz VECCSQXSUOERQQ-MDZLAQPJSA-N 1 3 282.388 -0.704 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000580823788 354999341 /nfs/dbraw/zinc/99/93/41/354999341.db2.gz YDJWFWGZSASZPJ-MELADBBJSA-N 1 3 295.431 -0.341 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000580942126 355001774 /nfs/dbraw/zinc/00/17/74/355001774.db2.gz LFNAFGHGZAABIT-GXSJLCMTSA-N 1 3 268.361 -0.937 20 0 CBADHO O=C(COC1CNC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584466947 355029680 /nfs/dbraw/zinc/02/96/80/355029680.db2.gz QWWDEAOMVFRCBJ-LLVKDONJSA-N 1 3 253.346 -0.329 20 0 CBADHO CC[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000584716285 355035627 /nfs/dbraw/zinc/03/56/27/355035627.db2.gz FYXDIQOJHGQDOH-VXGBXAGGSA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@@H](NC(=O)[C@H](C)N)C(=O)NCC[NH+]1CCCCC1 ZINC000582358536 355014823 /nfs/dbraw/zinc/01/48/23/355014823.db2.gz BZWZKONGTVGQEZ-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO COC[C@@](C)(O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000583495416 355018215 /nfs/dbraw/zinc/01/82/15/355018215.db2.gz DJLQNVDCKFJQKA-OLZOCXBDSA-N 1 3 260.378 -0.181 20 0 CBADHO COC[C@@](C)(O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583495416 355018216 /nfs/dbraw/zinc/01/82/16/355018216.db2.gz DJLQNVDCKFJQKA-OLZOCXBDSA-N 1 3 260.378 -0.181 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419417049 295895050 /nfs/dbraw/zinc/89/50/50/295895050.db2.gz HQPFIXQLSLDNBR-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419126182 295895136 /nfs/dbraw/zinc/89/51/36/295895136.db2.gz VQZZHEWKXDGLAI-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH+](C)CCNC(=O)c1cccc(CNCCC(N)=O)c1 ZINC000584048092 355028216 /nfs/dbraw/zinc/02/82/16/355028216.db2.gz CJHFASNHMPKCPH-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865374 355114001 /nfs/dbraw/zinc/11/40/01/355114001.db2.gz WWVLBYLFIVCNFN-GFCCVEGCSA-N 1 3 257.378 -0.025 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865374 355114004 /nfs/dbraw/zinc/11/40/04/355114004.db2.gz WWVLBYLFIVCNFN-GFCCVEGCSA-N 1 3 257.378 -0.025 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592307858 355147374 /nfs/dbraw/zinc/14/73/74/355147374.db2.gz JULJATJYIOAYPL-UTLUCORTSA-N 1 3 261.391 -0.359 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000592473457 355156108 /nfs/dbraw/zinc/15/61/08/355156108.db2.gz OWVGIVHUSPZHBK-SECBINFHSA-N 1 3 257.334 -0.523 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CCSC)C[C@H]1C[NH3+] ZINC000593914179 355229896 /nfs/dbraw/zinc/22/98/96/355229896.db2.gz AJXMCDOVKSXPEM-GMTAPVOTSA-N 1 3 275.418 -0.111 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000594186031 355237872 /nfs/dbraw/zinc/23/78/72/355237872.db2.gz IANHWVXDQHAVNQ-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000594186031 355237875 /nfs/dbraw/zinc/23/78/75/355237875.db2.gz IANHWVXDQHAVNQ-NEPJUHHUSA-N 1 3 255.362 -0.225 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873648 355266167 /nfs/dbraw/zinc/26/61/67/355266167.db2.gz GLRDXFBJCRULGD-NXEZZACHSA-N 1 3 266.345 -0.972 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594879648 355267757 /nfs/dbraw/zinc/26/77/57/355267757.db2.gz FMMXIXFFOGTEPZ-KXNHARMFSA-N 1 3 280.372 -0.855 20 0 CBADHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594880563 355267868 /nfs/dbraw/zinc/26/78/68/355267868.db2.gz UVVOHJPEBMCGKB-HBNTYKKESA-N 1 3 268.361 -0.870 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419421146 295902007 /nfs/dbraw/zinc/90/20/07/295902007.db2.gz LHFIRQKTEGPWDG-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900732 355315851 /nfs/dbraw/zinc/31/58/51/355315851.db2.gz JJAVWGSQFPCHMR-LLVKDONJSA-N 1 3 268.361 -0.107 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939178 355321646 /nfs/dbraw/zinc/32/16/46/355321646.db2.gz GJRYLFTZLYNESY-UWVGGRQHSA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000595979117 355333834 /nfs/dbraw/zinc/33/38/34/355333834.db2.gz RBJXSPMHPJMPER-OUAUKWLOSA-N 1 3 271.361 -0.147 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264545 355276153 /nfs/dbraw/zinc/27/61/53/355276153.db2.gz BNNJQJHDANKRKU-QJPTWQEYSA-N 1 3 295.387 -0.918 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595274629 355278117 /nfs/dbraw/zinc/27/81/17/355278117.db2.gz YLLATUAXQJXFLG-UTUOFQBUSA-N 1 3 297.403 -0.687 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598667490 355449305 /nfs/dbraw/zinc/44/93/05/355449305.db2.gz JBSLCOQDETVYSF-KWBADKCTSA-N 1 3 269.345 -0.393 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[NH2+]1 ZINC000599933397 355518835 /nfs/dbraw/zinc/51/88/35/355518835.db2.gz JECKMRUBDXVTBH-RHYQMDGZSA-N 1 3 295.387 -0.920 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000599933163 355518990 /nfs/dbraw/zinc/51/89/90/355518990.db2.gz CZRWUXZNPQQTRZ-FIQHERPVSA-N 1 3 295.387 -0.920 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000602532570 355658542 /nfs/dbraw/zinc/65/85/42/355658542.db2.gz YJPHNYJJARPEFA-WDEREUQCSA-N 1 3 271.361 -0.277 20 0 CBADHO C[N@@H+]1CC[C@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430695279 283113625 /nfs/dbraw/zinc/11/36/25/283113625.db2.gz MPAKNIYRVWKMMR-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CC[C@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430695279 283113628 /nfs/dbraw/zinc/11/36/28/283113628.db2.gz MPAKNIYRVWKMMR-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602875947 355679571 /nfs/dbraw/zinc/67/95/71/355679571.db2.gz CEYNMKQJMIHTHG-OLZOCXBDSA-N 1 3 274.361 -0.701 20 0 CBADHO COC(=O)[C@](C)(O)C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602875947 355679573 /nfs/dbraw/zinc/67/95/73/355679573.db2.gz CEYNMKQJMIHTHG-OLZOCXBDSA-N 1 3 274.361 -0.701 20 0 CBADHO C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000612887601 355854753 /nfs/dbraw/zinc/85/47/53/355854753.db2.gz QREZKGDAPIXEDN-ZFWWWQNUSA-N 1 3 297.447 -0.079 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993573 355859837 /nfs/dbraw/zinc/85/98/37/355859837.db2.gz OUNTUYVMCDSQLP-WDEREUQCSA-N 1 3 268.361 -0.584 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC(C[NH+](C)C)C2)CC1=O ZINC000615510395 356037006 /nfs/dbraw/zinc/03/70/06/356037006.db2.gz HVOGVQVIMHUQEV-CYBMUJFWSA-N 1 3 296.415 -0.584 20 0 CBADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000618194270 356179310 /nfs/dbraw/zinc/17/93/10/356179310.db2.gz XOCHZKUPHUPTGD-CYBMUJFWSA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(N)=O ZINC000617503732 356139124 /nfs/dbraw/zinc/13/91/24/356139124.db2.gz WOJYFFRVQBTMTB-QWRGUYRKSA-N 1 3 287.408 -0.569 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(N)=O ZINC000617503732 356139127 /nfs/dbraw/zinc/13/91/27/356139127.db2.gz WOJYFFRVQBTMTB-QWRGUYRKSA-N 1 3 287.408 -0.569 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(O)CCOC1 ZINC000617502372 356139388 /nfs/dbraw/zinc/13/93/88/356139388.db2.gz MYRKYCNFWZAIEO-JSGCOSHPSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(O)CCOC1 ZINC000617502372 356139390 /nfs/dbraw/zinc/13/93/90/356139390.db2.gz MYRKYCNFWZAIEO-JSGCOSHPSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCNC1=O ZINC000617502376 356139434 /nfs/dbraw/zinc/13/94/34/356139434.db2.gz NDDXLZLSOSWDMP-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCNC1=O ZINC000617502376 356139437 /nfs/dbraw/zinc/13/94/37/356139437.db2.gz NDDXLZLSOSWDMP-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncn(C)n1 ZINC000617508018 356139617 /nfs/dbraw/zinc/13/96/17/356139617.db2.gz RTWSUYUQPLRJIJ-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncn(C)n1 ZINC000617508018 356139620 /nfs/dbraw/zinc/13/96/20/356139620.db2.gz RTWSUYUQPLRJIJ-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(O)CCOC1 ZINC000617502371 356139743 /nfs/dbraw/zinc/13/97/43/356139743.db2.gz MYRKYCNFWZAIEO-GXTWGEPZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(O)CCOC1 ZINC000617502371 356139744 /nfs/dbraw/zinc/13/97/44/356139744.db2.gz MYRKYCNFWZAIEO-GXTWGEPZSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621698686 356281007 /nfs/dbraw/zinc/28/10/07/356281007.db2.gz CTUQWKXASNDDIG-JKOKRWQUSA-N 1 3 282.388 -0.574 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295292 356267435 /nfs/dbraw/zinc/26/74/35/356267435.db2.gz CYDDITNLXUKMQK-RYUDHWBXSA-N 1 3 257.378 -0.115 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295292 356267436 /nfs/dbraw/zinc/26/74/36/356267436.db2.gz CYDDITNLXUKMQK-RYUDHWBXSA-N 1 3 257.378 -0.115 20 0 CBADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CNCCO1 ZINC000621665119 356279607 /nfs/dbraw/zinc/27/96/07/356279607.db2.gz QVQRBGAZXBMAIW-VXGBXAGGSA-N 1 3 255.362 -0.129 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622025278 356300663 /nfs/dbraw/zinc/30/06/63/356300663.db2.gz NUSWKLGVTCTMLC-RISCZKNCSA-N 1 3 282.388 -0.654 20 0 CBADHO Nc1nc(NCCN2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623842089 356377770 /nfs/dbraw/zinc/37/77/70/356377770.db2.gz DQELGFMCPQCLKV-UHFFFAOYSA-N 1 3 285.355 -0.411 20 0 CBADHO C[NH+](C)[C@H]1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000624157999 356400045 /nfs/dbraw/zinc/40/00/45/356400045.db2.gz JCNZAPQFAMOOGE-QMMMGPOBSA-N 1 3 251.338 -0.383 20 0 CBADHO CC[N@@H+]1CC[C@H](N(C)c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623991416 356386860 /nfs/dbraw/zinc/38/68/60/356386860.db2.gz HCAOEBNALRBSSK-IUCAKERBSA-N 1 3 265.365 -0.137 20 0 CBADHO CC[N@H+]1CC[C@H](N(C)c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623991416 356386862 /nfs/dbraw/zinc/38/68/62/356386862.db2.gz HCAOEBNALRBSSK-IUCAKERBSA-N 1 3 265.365 -0.137 20 0 CBADHO C[N@@H+]1C[C@@H](CNc2nc(N)nc(N)n2)[C@H](c2ccccc2)C1 ZINC000624331339 356412456 /nfs/dbraw/zinc/41/24/56/356412456.db2.gz WYFNNBBKNNXPKO-NEPJUHHUSA-N 1 3 299.382 -0.124 20 0 CBADHO C[N@H+]1C[C@@H](CNc2nc(N)nc(N)n2)[C@H](c2ccccc2)C1 ZINC000624331339 356412461 /nfs/dbraw/zinc/41/24/61/356412461.db2.gz WYFNNBBKNNXPKO-NEPJUHHUSA-N 1 3 299.382 -0.124 20 0 CBADHO CC(C)(C)[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624384299 356415579 /nfs/dbraw/zinc/41/55/79/356415579.db2.gz MPMUYGXNIFRUCB-QMMMGPOBSA-N 1 3 265.365 -0.349 20 0 CBADHO CC(C)(C)[N@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624384299 356415583 /nfs/dbraw/zinc/41/55/83/356415583.db2.gz MPMUYGXNIFRUCB-QMMMGPOBSA-N 1 3 265.365 -0.349 20 0 CBADHO CN(c1nc(N)nc(N)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000624213428 356405164 /nfs/dbraw/zinc/40/51/64/356405164.db2.gz CMASECIEJKGFDS-JVHMLUBASA-N 1 3 263.349 -0.242 20 0 CBADHO CN(c1nc(N)nc(N)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000624213428 356405168 /nfs/dbraw/zinc/40/51/68/356405168.db2.gz CMASECIEJKGFDS-JVHMLUBASA-N 1 3 263.349 -0.242 20 0 CBADHO CN(C)CCn1cc(NC(=O)NCCOCCC[NH3+])cn1 ZINC000625865660 356495976 /nfs/dbraw/zinc/49/59/76/356495976.db2.gz XORDAUOKEUKKKP-UHFFFAOYSA-N 1 3 298.391 -0.068 20 0 CBADHO COCCN(C)CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626965694 356560836 /nfs/dbraw/zinc/56/08/36/356560836.db2.gz KVBJIGKCFFOZPI-UHFFFAOYSA-N 1 3 288.392 -0.628 20 0 CBADHO CN(CCOCC[NH3+])C(=O)NCCN(C)C1CC1 ZINC000626975728 356561625 /nfs/dbraw/zinc/56/16/25/356561625.db2.gz CEPMDYCJAUXJBN-UHFFFAOYSA-N 1 3 258.366 -0.303 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626982611 356563190 /nfs/dbraw/zinc/56/31/90/356563190.db2.gz NGCSDMCVRBJHNA-GFCCVEGCSA-N 1 3 288.392 -0.628 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627157969 356591032 /nfs/dbraw/zinc/59/10/32/356591032.db2.gz GAUKBMBFNOQHCQ-QNWHQSFQSA-N 1 3 282.388 -0.413 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627135063 356587629 /nfs/dbraw/zinc/58/76/29/356587629.db2.gz MJIROZUILFDCIQ-VXGBXAGGSA-N 1 3 270.377 -0.160 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627134870 356587681 /nfs/dbraw/zinc/58/76/81/356587681.db2.gz FHCTWZZUVXLIQV-MNOVXSKESA-N 1 3 256.350 -0.550 20 0 CBADHO CN(C)CC(C)(C)NC(=O)NCCOCCC[NH3+] ZINC000627219090 356608415 /nfs/dbraw/zinc/60/84/15/356608415.db2.gz PFMARRJYAFCNHS-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627226037 356609676 /nfs/dbraw/zinc/60/96/76/356609676.db2.gz FHCTWZZUVXLIQV-WDEREUQCSA-N 1 3 256.350 -0.550 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627226510 356609840 /nfs/dbraw/zinc/60/98/40/356609840.db2.gz MJIROZUILFDCIQ-RYUDHWBXSA-N 1 3 270.377 -0.160 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627248427 356612288 /nfs/dbraw/zinc/61/22/88/356612288.db2.gz GUFDGSSMRSPWOG-KGLIPLIRSA-N 1 3 295.431 -0.230 20 0 CBADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248774 356612357 /nfs/dbraw/zinc/61/23/57/356612357.db2.gz AYOJJKZIKSGDIJ-GFCCVEGCSA-N 1 3 271.409 -0.517 20 0 CBADHO COC1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249640 356612778 /nfs/dbraw/zinc/61/27/78/356612778.db2.gz WAKXKZGVKBCWSJ-LLVKDONJSA-N 1 3 270.377 -0.242 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627253042 356614753 /nfs/dbraw/zinc/61/47/53/356614753.db2.gz OFOPZCGNQUNBSV-LLVKDONJSA-N 1 3 285.392 -0.990 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)C[NH2+]1 ZINC000627208023 356605367 /nfs/dbraw/zinc/60/53/67/356605367.db2.gz VOSVOXPMYLJOAW-WOPDTQHZSA-N 1 3 269.393 -0.589 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210902 356606010 /nfs/dbraw/zinc/60/60/10/356606010.db2.gz XNEXIRVCYPSOJE-MROQNXINSA-N 1 3 282.388 -0.413 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000627349573 356631060 /nfs/dbraw/zinc/63/10/60/356631060.db2.gz SCPYJLAAXYTQPN-PWSUYJOCSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000627358039 356631499 /nfs/dbraw/zinc/63/14/99/356631499.db2.gz YSLOOLVJWUSISH-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627372144 356635156 /nfs/dbraw/zinc/63/51/56/356635156.db2.gz CZZPURQYMBXDSM-YNEHKIRRSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000627291585 356620970 /nfs/dbraw/zinc/62/09/70/356620970.db2.gz YCGXDJQTTCFBHU-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C[NH2+]1 ZINC000627304762 356622501 /nfs/dbraw/zinc/62/25/01/356622501.db2.gz DZEJIAVPZJILGW-NDBYEHHHSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000627305248 356623128 /nfs/dbraw/zinc/62/31/28/356623128.db2.gz RYLVCCKWHKDCNM-NNYUYHANSA-N 1 3 282.388 -0.548 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000627305247 356623502 /nfs/dbraw/zinc/62/35/02/356623502.db2.gz RYLVCCKWHKDCNM-FIQHERPVSA-N 1 3 282.388 -0.548 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000627308367 356623773 /nfs/dbraw/zinc/62/37/73/356623773.db2.gz NYRKLGJCFCQXOE-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000627308367 356623776 /nfs/dbraw/zinc/62/37/76/356623776.db2.gz NYRKLGJCFCQXOE-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000627309564 356624324 /nfs/dbraw/zinc/62/43/24/356624324.db2.gz UWIWHSGHGJLRFT-UHFFFAOYSA-N 1 3 284.404 -0.214 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000627423446 356643744 /nfs/dbraw/zinc/64/37/44/356643744.db2.gz NSMZCOBQAFJUND-UHFFFAOYSA-N 1 3 286.420 -0.112 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000627423446 356643750 /nfs/dbraw/zinc/64/37/50/356643750.db2.gz NSMZCOBQAFJUND-UHFFFAOYSA-N 1 3 286.420 -0.112 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627429002 356645546 /nfs/dbraw/zinc/64/55/46/356645546.db2.gz USFAKOWCTADMQI-QJPTWQEYSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000627457249 356649195 /nfs/dbraw/zinc/64/91/95/356649195.db2.gz PAGUQKBOGWHRTA-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000627395229 356638321 /nfs/dbraw/zinc/63/83/21/356638321.db2.gz DRBJXQUCJMCRQR-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505052 356660408 /nfs/dbraw/zinc/66/04/08/356660408.db2.gz UBLNXDRFEPPEFZ-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506979 356661703 /nfs/dbraw/zinc/66/17/03/356661703.db2.gz UOMKXYSAZLFTIG-SNVBAGLBSA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C[NH2+]1 ZINC000627476711 356653395 /nfs/dbraw/zinc/65/33/95/356653395.db2.gz JYVNWWKDGXMRCF-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)C[NH2+]1 ZINC000627477065 356653453 /nfs/dbraw/zinc/65/34/53/356653453.db2.gz QOBQURFBEUCBMM-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627498110 356657400 /nfs/dbraw/zinc/65/74/00/356657400.db2.gz IXURXYTUFGCIFR-RWMBFGLXSA-N 1 3 296.415 -0.206 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627500749 356658215 /nfs/dbraw/zinc/65/82/15/356658215.db2.gz LFQOSBBMXJSNJJ-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000627503877 356659722 /nfs/dbraw/zinc/65/97/22/356659722.db2.gz HICQLBWHNLMLKO-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000627504685 356659984 /nfs/dbraw/zinc/65/99/84/356659984.db2.gz BERGDUCHXMNPJL-NEPJUHHUSA-N 1 3 280.372 -0.839 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419026313 295933061 /nfs/dbraw/zinc/93/30/61/295933061.db2.gz NKSVOAXCQLZYFJ-UPJWGTAASA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629560859 356779242 /nfs/dbraw/zinc/77/92/42/356779242.db2.gz YHUCPEDSDUAFEK-ZIAGYGMSSA-N 1 3 271.405 -0.247 20 0 CBADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)CN1CCN(C)CC1 ZINC000629559563 356779326 /nfs/dbraw/zinc/77/93/26/356779326.db2.gz BGMANNXDTFKKEB-JKSUJKDBSA-N 1 3 298.475 -0.084 20 0 CBADHO C[C@@H]1COCCN1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629560853 356779634 /nfs/dbraw/zinc/77/96/34/356779634.db2.gz YHUCPEDSDUAFEK-KGLIPLIRSA-N 1 3 271.405 -0.247 20 0 CBADHO CCN(CC[NH3+])CC(=O)NC1CCN(CC)CC1 ZINC000629556695 356779982 /nfs/dbraw/zinc/77/99/82/356779982.db2.gz OKKAFDLACLPVGV-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO C[NH2+]CCOCCN(C)[C@@H](C)CN1CCOCC1 ZINC000629572543 356780385 /nfs/dbraw/zinc/78/03/85/356780385.db2.gz WMWOJJIQFUZZJF-ZDUSSCGKSA-N 1 3 259.394 -0.125 20 0 CBADHO C[NH2+]CCOCCN(C)CCC(=O)N1CCOCC1 ZINC000629571207 356780979 /nfs/dbraw/zinc/78/09/79/356780979.db2.gz JCCLAFWTXDDVJZ-UHFFFAOYSA-N 1 3 273.377 -0.597 20 0 CBADHO Nc1ncccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629513740 356776064 /nfs/dbraw/zinc/77/60/64/356776064.db2.gz VCHWAPDSQGEWKQ-LBPRGKRZSA-N 1 3 277.372 -0.049 20 0 CBADHO C[N@H+](C[C@H](O)CNCCN1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788239 /nfs/dbraw/zinc/78/82/39/356788239.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 1 3 257.378 -0.902 20 0 CBADHO C[N@@H+](C[C@H](O)CNCCN1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788241 /nfs/dbraw/zinc/78/82/41/356788241.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 1 3 257.378 -0.902 20 0 CBADHO CN(C[C@H](O)C[NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788247 /nfs/dbraw/zinc/78/82/47/356788247.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 1 3 257.378 -0.902 20 0 CBADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CN1 ZINC000629660333 356788768 /nfs/dbraw/zinc/78/87/68/356788768.db2.gz RWEATNOJVIGUJN-FRRDWIJNSA-N 1 3 268.405 -0.086 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000629653100 356789118 /nfs/dbraw/zinc/78/91/18/356789118.db2.gz NBKFQMJAETVFQE-SCZZXKLOSA-N 1 3 251.334 -0.272 20 0 CBADHO COC[C@@]1(C)CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000629673797 356789279 /nfs/dbraw/zinc/78/92/79/356789279.db2.gz IDOCZVHENYBSCU-UKRRQHHQSA-N 1 3 299.415 -0.079 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000629787786 356792537 /nfs/dbraw/zinc/79/25/37/356792537.db2.gz LCUNILTZRGANHG-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000629796416 356794218 /nfs/dbraw/zinc/79/42/18/356794218.db2.gz JMEXRPZOTHTHEM-UHFFFAOYSA-N 1 3 284.404 -0.262 20 0 CBADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC)CCN)C1 ZINC000629800659 356795583 /nfs/dbraw/zinc/79/55/83/356795583.db2.gz XZJGGCBCWXFZSD-ZDUSSCGKSA-N 1 3 298.431 -0.016 20 0 CBADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC)CCN)C1 ZINC000629800659 356795588 /nfs/dbraw/zinc/79/55/88/356795588.db2.gz XZJGGCBCWXFZSD-ZDUSSCGKSA-N 1 3 298.431 -0.016 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000629799843 356795685 /nfs/dbraw/zinc/79/56/85/356795685.db2.gz VHRZDQZDJMXXPI-CYBMUJFWSA-N 1 3 296.415 -0.262 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000629810475 356797114 /nfs/dbraw/zinc/79/71/14/356797114.db2.gz ZMLCLDMRSCKSRF-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCCC2)O1 ZINC000629575231 356781721 /nfs/dbraw/zinc/78/17/21/356781721.db2.gz NYSHGOUDFKOHRE-RDBSUJKOSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CN2CCCC2)O1 ZINC000629575228 356781866 /nfs/dbraw/zinc/78/18/66/356781866.db2.gz NYSHGOUDFKOHRE-IHRRRGAJSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(CCOCC[NH3+])CCC(=O)N1CCN(C)CC1 ZINC000629581296 356783139 /nfs/dbraw/zinc/78/31/39/356783139.db2.gz VBJNMNCTOHLYAW-UHFFFAOYSA-N 1 3 272.393 -0.942 20 0 CBADHO OCCCN1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583881 356783687 /nfs/dbraw/zinc/78/36/87/356783687.db2.gz JWDBIXKBPHEVSM-LSDHHAIUSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584410 356783898 /nfs/dbraw/zinc/78/38/98/356783898.db2.gz QJERRWPHOFJNQC-GJZGRUSLSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629584410 356783899 /nfs/dbraw/zinc/78/38/99/356783899.db2.gz QJERRWPHOFJNQC-GJZGRUSLSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584411 356784291 /nfs/dbraw/zinc/78/42/91/356784291.db2.gz QJERRWPHOFJNQC-HUUCEWRRSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629584411 356784293 /nfs/dbraw/zinc/78/42/93/356784293.db2.gz QJERRWPHOFJNQC-HUUCEWRRSA-N 1 3 285.432 -0.121 20 0 CBADHO CC[C@H](C(=O)NCCCN1CC[NH2+]CC1)N(C)C ZINC000629610969 356787304 /nfs/dbraw/zinc/78/73/04/356787304.db2.gz KNWXQTGUKRFPBO-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000629615191 356787748 /nfs/dbraw/zinc/78/77/48/356787748.db2.gz SGAFKGJNEJHBAV-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CNCCO1 ZINC000630616682 356855927 /nfs/dbraw/zinc/85/59/27/356855927.db2.gz MRFIXAIRZBWAGH-MNOVXSKESA-N 1 3 251.334 -0.267 20 0 CBADHO c1c(CCN2CC[NH2+]CC2)nnn1CCN1CCCC1 ZINC000630617696 356856347 /nfs/dbraw/zinc/85/63/47/356856347.db2.gz FLWPEAIOQJSIHC-UHFFFAOYSA-N 1 3 278.404 -0.178 20 0 CBADHO CC(C)[C@@H]([NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631905938 356921151 /nfs/dbraw/zinc/92/11/51/356921151.db2.gz YRRZGTAYOJIFAK-JTQLQIEISA-N 1 3 251.396 -0.159 20 0 CBADHO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631931583 356924962 /nfs/dbraw/zinc/92/49/62/356924962.db2.gz LIEUWGRRJNESPZ-WDEREUQCSA-N 1 3 263.407 -0.063 20 0 CBADHO C[NH2+][C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631933754 356926899 /nfs/dbraw/zinc/92/68/99/356926899.db2.gz JCSNMVPTLRNSAP-NSHDSACASA-N 1 3 263.407 -0.048 20 0 CBADHO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CCCN(C)C ZINC000631934962 356926971 /nfs/dbraw/zinc/92/69/71/356926971.db2.gz OGQPVEKKTYMKCE-WDEREUQCSA-N 1 3 263.407 -0.145 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCCN(C)C ZINC000631934959 356927086 /nfs/dbraw/zinc/92/70/86/356927086.db2.gz OGQPVEKKTYMKCE-MNOVXSKESA-N 1 3 263.407 -0.145 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CCCN(C)C ZINC000631935088 356927280 /nfs/dbraw/zinc/92/72/80/356927280.db2.gz PNSFWGSUDNQXCW-MNOVXSKESA-N 1 3 263.407 -0.145 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000631936058 356927982 /nfs/dbraw/zinc/92/79/82/356927982.db2.gz RKZPKKMNMRYGOI-LLVKDONJSA-N 1 3 263.407 -0.061 20 0 CBADHO O=S(=O)(CCCN1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938914 356929014 /nfs/dbraw/zinc/92/90/14/356929014.db2.gz PCCINNNYKRFRPP-GDNZZTSVSA-N 1 3 273.402 -0.391 20 0 CBADHO CC1(OCC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)CNC1 ZINC000632862682 357028728 /nfs/dbraw/zinc/02/87/28/357028728.db2.gz UOLRNTYMBIRZDT-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860115 357029069 /nfs/dbraw/zinc/02/90/69/357029069.db2.gz FBRHUDCIPSWYCL-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095626 357044684 /nfs/dbraw/zinc/04/46/84/357044684.db2.gz XLGHTZLCOAMJGT-VOAKCMCISA-N 1 3 294.399 -0.642 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000633115907 357049394 /nfs/dbraw/zinc/04/93/94/357049394.db2.gz NCKUYPGNWNFTKC-RYUDHWBXSA-N 1 3 282.388 -0.511 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000633150317 357052831 /nfs/dbraw/zinc/05/28/31/357052831.db2.gz DTMDAVAFWBVQBI-RNJOBUHISA-N 1 3 269.389 -0.150 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000633150317 357052834 /nfs/dbraw/zinc/05/28/34/357052834.db2.gz DTMDAVAFWBVQBI-RNJOBUHISA-N 1 3 269.389 -0.150 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744157 357132809 /nfs/dbraw/zinc/13/28/09/357132809.db2.gz PDPFJHMHXGAOHJ-AEGPPILISA-N 1 3 296.415 -0.456 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000634765429 357134133 /nfs/dbraw/zinc/13/41/33/357134133.db2.gz SHLJSHQBDVRPIO-GARJFASQSA-N 1 3 255.362 -0.003 20 0 CBADHO CC(C)[C@@H](C[NH3+])CN(C)CC(=O)N1CCNCC1 ZINC000634991134 357141550 /nfs/dbraw/zinc/14/15/50/357141550.db2.gz RAHFUUDBOHHCPU-LBPRGKRZSA-N 1 3 256.394 -0.419 20 0 CBADHO CS(=O)(=O)N1CC[C@@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000634995853 357142088 /nfs/dbraw/zinc/14/20/88/357142088.db2.gz QXQZQTCRASAZOE-UNXYVOJBSA-N 1 3 273.402 -0.391 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992933 357142261 /nfs/dbraw/zinc/14/22/61/357142261.db2.gz GFBAUTKLEHKBTL-BBBYJDLNSA-N 1 3 292.427 -0.023 20 0 CBADHO CNS(=O)(=O)CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000635003664 357142288 /nfs/dbraw/zinc/14/22/88/357142288.db2.gz APSVRCSPMISJNS-QWRGUYRKSA-N 1 3 263.407 -0.097 20 0 CBADHO CNS(=O)(=O)CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000635003664 357142292 /nfs/dbraw/zinc/14/22/92/357142292.db2.gz APSVRCSPMISJNS-QWRGUYRKSA-N 1 3 263.407 -0.097 20 0 CBADHO C[C@]12CN(C[C@@]3(C)CC[NH2+]C3)C[C@]1(C)C(=O)NC2=O ZINC000634999459 357142539 /nfs/dbraw/zinc/14/25/39/357142539.db2.gz UYSXVDRIGIXKQP-BFHYXJOUSA-N 1 3 265.357 -0.029 20 0 CBADHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000634718840 357129067 /nfs/dbraw/zinc/12/90/67/357129067.db2.gz JZKVKZXJAWMHIE-KFWWJZLASA-N 1 3 286.416 -0.055 20 0 CBADHO C[C@](O)(C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1)C1CC1 ZINC000634718841 357129263 /nfs/dbraw/zinc/12/92/63/357129263.db2.gz JZKVKZXJAWMHIE-KKUMJFAQSA-N 1 3 286.416 -0.055 20 0 CBADHO NCC(=O)N1CCC[C@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634733898 357130553 /nfs/dbraw/zinc/13/05/53/357130553.db2.gz QSXXSZQSYGFLJZ-NFAWXSAZSA-N 1 3 280.416 -0.085 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 ZINC000635928438 357235253 /nfs/dbraw/zinc/23/52/53/357235253.db2.gz GKHVCKKXIWMIMT-STQMWFEESA-N 1 3 281.400 -0.004 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1O ZINC000635948468 357237906 /nfs/dbraw/zinc/23/79/06/357237906.db2.gz NJRIQAVLLHFEQI-STQMWFEESA-N 1 3 281.400 -0.004 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516401 357287722 /nfs/dbraw/zinc/28/77/22/357287722.db2.gz BLIBLHOMVSNEEF-AWEZNQCLSA-N 1 3 296.415 -0.021 20 0 CBADHO COC[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCCN1 ZINC000637822900 357371501 /nfs/dbraw/zinc/37/15/01/357371501.db2.gz OCKITUUFQMBBSW-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637002673 357316342 /nfs/dbraw/zinc/31/63/42/357316342.db2.gz UGIANRQUVQGDLQ-LBPRGKRZSA-N 1 3 272.393 -0.258 20 0 CBADHO COC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CCCCN1 ZINC000637799002 357365717 /nfs/dbraw/zinc/36/57/17/357365717.db2.gz SKWVVHHEUPYBGC-OAHLLOKOSA-N 1 3 298.431 -0.443 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cn1 ZINC000637806248 357367684 /nfs/dbraw/zinc/36/76/84/357367684.db2.gz VOQJZNWUQKCYEA-GFCCVEGCSA-N 1 3 265.361 -0.074 20 0 CBADHO CCN[C@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638236953 357440980 /nfs/dbraw/zinc/44/09/80/357440980.db2.gz MMVXMERAPIZRGL-NEPJUHHUSA-N 1 3 254.378 -0.510 20 0 CBADHO [NH3+]C[C@@]1(C(=O)NCCN2CCCC2)CCCOC1 ZINC000638054593 357406450 /nfs/dbraw/zinc/40/64/50/357406450.db2.gz GDBSHNYBVAFDGO-ZDUSSCGKSA-N 1 3 255.362 -0.046 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638072084 357410786 /nfs/dbraw/zinc/41/07/86/357410786.db2.gz PUEUUELDRNRNOP-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638072084 357410790 /nfs/dbraw/zinc/41/07/90/357410790.db2.gz PUEUUELDRNRNOP-SDDRHHMPSA-N 1 3 255.362 -0.097 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638075340 357411168 /nfs/dbraw/zinc/41/11/68/357411168.db2.gz DZVQYMCNSKBVST-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638078934 357412636 /nfs/dbraw/zinc/41/26/36/357412636.db2.gz OMYCIEXETRJAKB-GRYCIOLGSA-N 1 3 255.362 -0.051 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638078934 357412637 /nfs/dbraw/zinc/41/26/37/357412637.db2.gz OMYCIEXETRJAKB-GRYCIOLGSA-N 1 3 255.362 -0.051 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCN(C)C2CC2)C1 ZINC000638081632 357412819 /nfs/dbraw/zinc/41/28/19/357412819.db2.gz BAKIKJAWVDGFBC-AAEUAGOBSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)C1CC[NH+](C)CC1 ZINC000638092125 357414911 /nfs/dbraw/zinc/41/49/11/357414911.db2.gz UMXBYDKLFYDDBG-ZMLRMANQSA-N 1 3 255.362 -0.051 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638101826 357417340 /nfs/dbraw/zinc/41/73/40/357417340.db2.gz RETJVVIQMZDXJQ-NEPJUHHUSA-N 1 3 253.346 -0.129 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638101828 357417532 /nfs/dbraw/zinc/41/75/32/357417532.db2.gz RETJVVIQMZDXJQ-NWDGAFQWSA-N 1 3 253.346 -0.129 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102069 357418374 /nfs/dbraw/zinc/41/83/74/357418374.db2.gz XJVZOWRBISDELL-ZFWWWQNUSA-N 1 3 299.415 -0.031 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638102085 357418500 /nfs/dbraw/zinc/41/85/00/357418500.db2.gz RQFDALCZBZGGJH-UTUOFQBUSA-N 1 3 253.346 -0.297 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102085 357418502 /nfs/dbraw/zinc/41/85/02/357418502.db2.gz RQFDALCZBZGGJH-UTUOFQBUSA-N 1 3 253.346 -0.297 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135917 357424323 /nfs/dbraw/zinc/42/43/23/357424323.db2.gz VSVXWQXGJRKUQN-DGCLKSJQSA-N 1 3 266.389 -0.510 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638141431 357424928 /nfs/dbraw/zinc/42/49/28/357424928.db2.gz UKCFQNLKAZEZFE-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO [NH3+][C@@H]1CCc2ncc(NC(=O)CN3CCNCC3)cc2C1 ZINC000638151828 357426395 /nfs/dbraw/zinc/42/63/95/357426395.db2.gz BHLBYIIRPKQKJB-GFCCVEGCSA-N 1 3 289.383 -0.259 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638146591 357426599 /nfs/dbraw/zinc/42/65/99/357426599.db2.gz UUDABNVGWZPKHC-UONOGXRCSA-N 1 3 280.416 -0.118 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCCN1 ZINC000638152010 357426996 /nfs/dbraw/zinc/42/69/96/357426996.db2.gz CFZSBIRHVNOEKD-AAEUAGOBSA-N 1 3 255.362 -0.001 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638164889 357429635 /nfs/dbraw/zinc/42/96/35/357429635.db2.gz MVCIVVOBECIEOX-OOCWMUITSA-N 1 3 253.346 -0.312 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN1CCNCC1 ZINC000638231521 357440004 /nfs/dbraw/zinc/44/00/04/357440004.db2.gz QCDCWJKGVFRMGL-NTZNESFSSA-N 1 3 254.378 -0.606 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(CCN(C)C)c2)CCO1 ZINC000637865460 357379484 /nfs/dbraw/zinc/37/94/84/357379484.db2.gz FNTXYYGJOBIDRO-AAEUAGOBSA-N 1 3 295.387 -0.367 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCCNC(=O)C2)C1 ZINC000638571385 357495344 /nfs/dbraw/zinc/49/53/44/357495344.db2.gz PQRSZMWJFKLSGD-CHWSQXEVSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCCNC(=O)C2)C1 ZINC000638571385 357495348 /nfs/dbraw/zinc/49/53/48/357495348.db2.gz PQRSZMWJFKLSGD-CHWSQXEVSA-N 1 3 296.415 -0.168 20 0 CBADHO CO[C@]1(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571635 357495490 /nfs/dbraw/zinc/49/54/90/357495490.db2.gz NQDBEFVAQUYFAN-ZFWWWQNUSA-N 1 3 299.415 -0.031 20 0 CBADHO CO[C@]1(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000638571635 357495495 /nfs/dbraw/zinc/49/54/95/357495495.db2.gz NQDBEFVAQUYFAN-ZFWWWQNUSA-N 1 3 299.415 -0.031 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000638571617 357495849 /nfs/dbraw/zinc/49/58/49/357495849.db2.gz NCBWTDMMGGKGKG-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C(N)C(F)(F)F ZINC000638591035 357499494 /nfs/dbraw/zinc/49/94/94/357499494.db2.gz AIUCNZIZZUGDEZ-SSDOTTSWSA-N 1 3 257.256 -0.430 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262799 357445162 /nfs/dbraw/zinc/44/51/62/357445162.db2.gz NTSGAVKHVCLAKV-UONOGXRCSA-N 1 3 280.416 -0.260 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)cn1 ZINC000638267904 357446173 /nfs/dbraw/zinc/44/61/73/357446173.db2.gz WHKYZDXZLLPUEX-CYBMUJFWSA-N 1 3 295.387 -0.447 20 0 CBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN1CC[NH2+]CC1 ZINC000638277162 357449527 /nfs/dbraw/zinc/44/95/27/357449527.db2.gz RWTNBGKXSYXGSV-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)CN2CCNCC2)CC1 ZINC000638286262 357452089 /nfs/dbraw/zinc/45/20/89/357452089.db2.gz OSSBNJVBFNXIEH-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CNCCO2)CC[N@@H+]1C ZINC000638337641 357459228 /nfs/dbraw/zinc/45/92/28/357459228.db2.gz JDUUFXWJELRLBG-GRYCIOLGSA-N 1 3 255.362 -0.179 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CNCCO2)CC[N@H+]1C ZINC000638337641 357459232 /nfs/dbraw/zinc/45/92/32/357459232.db2.gz JDUUFXWJELRLBG-GRYCIOLGSA-N 1 3 255.362 -0.179 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCNCC1)C2 ZINC000638384755 357464385 /nfs/dbraw/zinc/46/43/85/357464385.db2.gz YRODIBFSACSZKJ-JSGCOSHPSA-N 1 3 266.389 -0.521 20 0 CBADHO CC(C)N1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638377994 357464569 /nfs/dbraw/zinc/46/45/69/357464569.db2.gz UKDYNPIARZXFLQ-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO [NH3+]CC12CCC(CC1)CN2C(=O)CN1CCNCC1 ZINC000638379841 357464682 /nfs/dbraw/zinc/46/46/82/357464682.db2.gz PDQIJMDHHRRHBC-UHFFFAOYSA-N 1 3 266.389 -0.379 20 0 CBADHO N[C@H]1CCO[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638385238 357464691 /nfs/dbraw/zinc/46/46/91/357464691.db2.gz SLLZTFMJYPSQQZ-KQXIARHKSA-N 1 3 253.346 -0.310 20 0 CBADHO C[C@@H]1CCN(C(=O)CN2CCNCC2)[C@H](C[NH3+])C1 ZINC000638423460 357473067 /nfs/dbraw/zinc/47/30/67/357473067.db2.gz VWTJGGCZWQXCEQ-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638432594 357475813 /nfs/dbraw/zinc/47/58/13/357475813.db2.gz YSLMVDRMZBCNKX-DNRKLUKYSA-N 1 3 259.325 -0.349 20 0 CBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)CN1CCNCC1)C2 ZINC000638442313 357477526 /nfs/dbraw/zinc/47/75/26/357477526.db2.gz RQZKSKMWHQUBOV-AAEUAGOBSA-N 1 3 252.362 -0.769 20 0 CBADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000638492375 357484522 /nfs/dbraw/zinc/48/45/22/357484522.db2.gz OREPZTPZYNXJSM-RYUDHWBXSA-N 1 3 256.394 -0.278 20 0 CBADHO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CN)cc1 ZINC000638524833 357493529 /nfs/dbraw/zinc/49/35/29/357493529.db2.gz STYDNPQQBGMUNK-UHFFFAOYSA-N 1 3 264.329 -0.125 20 0 CBADHO CCN1CCN(CCC(=O)N(C)CCOCC[NH3+])CC1 ZINC000638675807 357519849 /nfs/dbraw/zinc/51/98/49/357519849.db2.gz KCHZDJZQGPUMQN-UHFFFAOYSA-N 1 3 286.420 -0.552 20 0 CBADHO CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000638854835 357538577 /nfs/dbraw/zinc/53/85/77/357538577.db2.gz USCGFSNKOFEVRT-ZDUSSCGKSA-N 1 3 267.373 -0.083 20 0 CBADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CN2CCC1CC2 ZINC000638853499 357538686 /nfs/dbraw/zinc/53/86/86/357538686.db2.gz HPGCYWFKLNODHV-STQMWFEESA-N 1 3 294.399 -0.593 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638865926 357539176 /nfs/dbraw/zinc/53/91/76/357539176.db2.gz LRVQRCPPYIIELW-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO [NH3+][C@@H](CCNC(=O)CN1CCNCC1)Cc1ccccc1 ZINC000638881928 357539982 /nfs/dbraw/zinc/53/99/82/357539982.db2.gz YVJYXLCRUGOQGK-HNNXBMFYSA-N 1 3 290.411 -0.032 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC000638905093 357541774 /nfs/dbraw/zinc/54/17/74/357541774.db2.gz AKSFFADJKMBQNS-WXHSDQCUSA-N 1 3 292.387 -0.102 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933710 357544979 /nfs/dbraw/zinc/54/49/79/357544979.db2.gz ZDMZJLCCVQMHEX-OLZOCXBDSA-N 1 3 287.404 -0.081 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000638934287 357546155 /nfs/dbraw/zinc/54/61/55/357546155.db2.gz GMBRUKDSDXTGGC-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO C[N@@H+]1CC[C@@](O)(CNCC(C)(C)N2CCOCC2)C1 ZINC000639049275 357556353 /nfs/dbraw/zinc/55/63/53/357556353.db2.gz MNVDOQSWJPTVOU-CQSZACIVSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@H+]1CC[C@@](O)(CNCC(C)(C)N2CCOCC2)C1 ZINC000639049275 357556358 /nfs/dbraw/zinc/55/63/58/357556358.db2.gz MNVDOQSWJPTVOU-CQSZACIVSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841663 357603373 /nfs/dbraw/zinc/60/33/73/357603373.db2.gz XLWXCELRGYFZDL-IJLUTSLNSA-N 1 3 282.388 -0.621 20 0 CBADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841663 357603376 /nfs/dbraw/zinc/60/33/76/357603376.db2.gz XLWXCELRGYFZDL-IJLUTSLNSA-N 1 3 282.388 -0.621 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574038777 334986958 /nfs/dbraw/zinc/98/69/58/334986958.db2.gz NYWYTONQDCMNEL-TUAOUCFPSA-N 1 3 253.346 -0.567 20 0 CBADHO COCCN(C)C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641224896 357683153 /nfs/dbraw/zinc/68/31/53/357683153.db2.gz YVBRZOVLABKRKX-JSGCOSHPSA-N 1 3 297.403 -0.631 20 0 CBADHO NS(=O)(=O)CCCN1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000641798644 357742838 /nfs/dbraw/zinc/74/28/38/357742838.db2.gz PAMNNRPTOWNENK-OUAUKWLOSA-N 1 3 261.391 -0.276 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000642439384 357754556 /nfs/dbraw/zinc/75/45/56/357754556.db2.gz DJIZJGFLFCOHAK-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642439834 357755043 /nfs/dbraw/zinc/75/50/43/357755043.db2.gz OVGAGTIEZKZDPE-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000642439401 357755105 /nfs/dbraw/zinc/75/51/05/357755105.db2.gz FTKWEIPOKSRMRO-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000642439494 357755157 /nfs/dbraw/zinc/75/51/57/357755157.db2.gz JHMIPPFBRWMXND-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[NH2+]C ZINC000642439732 357755177 /nfs/dbraw/zinc/75/51/77/357755177.db2.gz OBMQVRZSHAMQIX-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642440046 357755272 /nfs/dbraw/zinc/75/52/72/357755272.db2.gz WGQAIRUNCBSQAI-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000642439709 357755281 /nfs/dbraw/zinc/75/52/81/357755281.db2.gz NRZATDYCVAHVHY-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000642440136 357755672 /nfs/dbraw/zinc/75/56/72/357755672.db2.gz XANHMTGTWCNZEM-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642439939 357755745 /nfs/dbraw/zinc/75/57/45/357755745.db2.gz SIBRXZKRYVRAPY-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000642644467 357758165 /nfs/dbraw/zinc/75/81/65/357758165.db2.gz MRULRRHKUMCCRA-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642733287 357760401 /nfs/dbraw/zinc/76/04/01/357760401.db2.gz CJDUIBKVRISUSF-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000642756038 357761286 /nfs/dbraw/zinc/76/12/86/357761286.db2.gz JPORNQDUYJIYKH-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000642773330 357761414 /nfs/dbraw/zinc/76/14/14/357761414.db2.gz QXISLXNUXZYIDN-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642786015 357761867 /nfs/dbraw/zinc/76/18/67/357761867.db2.gz XFOIRNLKUPPLSV-CHWSQXEVSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785718 357762533 /nfs/dbraw/zinc/76/25/33/357762533.db2.gz FBZGZOXSBGVREV-GFCCVEGCSA-N 1 3 282.388 -0.687 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902728 357765478 /nfs/dbraw/zinc/76/54/78/357765478.db2.gz YSYNODDTCNHAIR-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000642909824 357767401 /nfs/dbraw/zinc/76/74/01/357767401.db2.gz VAKOPOAKDWGCJP-LLVKDONJSA-N 1 3 296.371 -0.367 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642909255 357767568 /nfs/dbraw/zinc/76/75/68/357767568.db2.gz JJNZGWQGQDQQFB-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642909256 357767878 /nfs/dbraw/zinc/76/78/78/357767878.db2.gz JJNZGWQGQDQQFB-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642909931 357768903 /nfs/dbraw/zinc/76/89/03/357768903.db2.gz XPUIQYSMCODDLE-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919110 357770423 /nfs/dbraw/zinc/77/04/23/357770423.db2.gz OMLCRHRVYPXTEM-ZDUSSCGKSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926348 357771018 /nfs/dbraw/zinc/77/10/18/357771018.db2.gz NYPOEEJIFLFNRX-UHFFFAOYSA-N 1 3 270.377 -0.879 20 0 CBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000642960480 357773378 /nfs/dbraw/zinc/77/33/78/357773378.db2.gz WTCBRJPZPKZPOS-NWDGAFQWSA-N 1 3 280.372 -0.854 20 0 CBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000642960483 357773412 /nfs/dbraw/zinc/77/34/12/357773412.db2.gz WTCBRJPZPKZPOS-RYUDHWBXSA-N 1 3 280.372 -0.854 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000643471958 357784232 /nfs/dbraw/zinc/78/42/32/357784232.db2.gz XTZREIBCBOVNME-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1N(C)C ZINC000643520726 357786856 /nfs/dbraw/zinc/78/68/56/357786856.db2.gz GPRPATQBMCTRAH-WUHRBBMRSA-N 1 3 294.399 -0.927 20 0 CBADHO C[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000333136889 291135186 /nfs/dbraw/zinc/13/51/86/291135186.db2.gz CMBWOBWILPHKJS-UKJIMTQDSA-N 1 3 282.388 -0.414 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423677490 296023059 /nfs/dbraw/zinc/02/30/59/296023059.db2.gz KFGDKRCLMLUGDX-NEPJUHHUSA-N 1 3 284.404 -0.265 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342687161 216474770 /nfs/dbraw/zinc/47/47/70/216474770.db2.gz AUULDHMKOQCFMY-WDEREUQCSA-N 1 3 271.361 -0.277 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192109249 189614143 /nfs/dbraw/zinc/61/41/43/189614143.db2.gz PMMGSIIXIBVVDX-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@]1(CNC(=O)N2CCOC3(CNC3)C2)CCC[NH2+]C1 ZINC000333859714 291383732 /nfs/dbraw/zinc/38/37/32/291383732.db2.gz RUFOZODBHSWPQI-ZDUSSCGKSA-N 1 3 282.388 -0.240 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331922952 204299664 /nfs/dbraw/zinc/29/96/64/204299664.db2.gz CIYIIHHZRLXDPD-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000344048789 217028506 /nfs/dbraw/zinc/02/85/06/217028506.db2.gz NWGZVYKFYGBKJW-STQMWFEESA-N 1 3 296.415 -0.536 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048789 217028509 /nfs/dbraw/zinc/02/85/09/217028509.db2.gz NWGZVYKFYGBKJW-STQMWFEESA-N 1 3 296.415 -0.536 20 0 CBADHO COCCN1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000344215632 217103186 /nfs/dbraw/zinc/10/31/86/217103186.db2.gz SSADHTNVSJSKAR-ZDUSSCGKSA-N 1 3 271.405 -0.247 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132203 205056562 /nfs/dbraw/zinc/05/65/62/205056562.db2.gz BWKQDYMDSGSMQF-GXTWGEPZSA-N 1 3 295.431 -0.327 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000132959233 372798853 /nfs/dbraw/zinc/79/88/53/372798853.db2.gz WGXFCODOPYFEJK-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CNCCO2)CC[N@H+]1C ZINC000132959233 372798862 /nfs/dbraw/zinc/79/88/62/372798862.db2.gz WGXFCODOPYFEJK-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC1=O ZINC000158175423 372808817 /nfs/dbraw/zinc/80/88/17/372808817.db2.gz YAOMPFKKGNVBIW-NWDGAFQWSA-N 1 3 282.388 -0.654 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353446498 220088895 /nfs/dbraw/zinc/08/88/95/220088895.db2.gz JWPRCAGFIIARHT-RYUDHWBXSA-N 1 3 255.362 -0.096 20 0 CBADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000173894929 284353428 /nfs/dbraw/zinc/35/34/28/284353428.db2.gz CQTKNXDNIGMCPN-SNVBAGLBSA-N 1 3 256.350 -0.155 20 0 CBADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000173894929 284353431 /nfs/dbraw/zinc/35/34/31/284353431.db2.gz CQTKNXDNIGMCPN-SNVBAGLBSA-N 1 3 256.350 -0.155 20 0 CBADHO CC[N@H+](CCNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000226397970 372876458 /nfs/dbraw/zinc/87/64/58/372876458.db2.gz PTTQQPIGXTWLAT-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+](CCNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000226397970 372876467 /nfs/dbraw/zinc/87/64/67/372876467.db2.gz PTTQQPIGXTWLAT-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000251929871 372897914 /nfs/dbraw/zinc/89/79/14/372897914.db2.gz YQOCELAMSDVQCB-WISYIIOYSA-N 1 3 253.346 -0.596 20 0 CBADHO CO[C@@H](CN)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353505405 220123306 /nfs/dbraw/zinc/12/33/06/220123306.db2.gz DHZLVZVXXBMJJZ-LBPRGKRZSA-N 1 3 285.388 -0.279 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370972 205263503 /nfs/dbraw/zinc/26/35/03/205263503.db2.gz MJWWUERTUUNDJR-BQSNPHCVSA-N 1 3 264.373 -0.014 20 0 CBADHO CN(C)CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000285972033 372949253 /nfs/dbraw/zinc/94/92/53/372949253.db2.gz HIADZHGVDNUEFB-VIFPVBQESA-N 1 3 251.334 -0.222 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333399266 205287126 /nfs/dbraw/zinc/28/71/26/205287126.db2.gz PSXLHODEYUNWFB-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331403073 372996195 /nfs/dbraw/zinc/99/61/95/372996195.db2.gz DNUGPNFIYZOMEB-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H](C)CN1 ZINC000333481151 373011495 /nfs/dbraw/zinc/01/14/95/373011495.db2.gz CCRSSUPSXVWPIA-IJLUTSLNSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430224 373009699 /nfs/dbraw/zinc/00/96/99/373009699.db2.gz UKYMFWUVUNNATP-XEZLXBQYSA-N 1 3 282.388 -0.557 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333933080 373013963 /nfs/dbraw/zinc/01/39/63/373013963.db2.gz HLMQVDRPMIDCTD-KBPBESRZSA-N 1 3 295.431 -0.230 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000344665812 373060792 /nfs/dbraw/zinc/06/07/92/373060792.db2.gz MMDFSURWQWSXBA-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)NCCN(C)C ZINC000342662378 373046828 /nfs/dbraw/zinc/04/68/28/373046828.db2.gz JAIKNVUKQLFTJC-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)NCCN(C)C ZINC000342662378 373046836 /nfs/dbraw/zinc/04/68/36/373046836.db2.gz JAIKNVUKQLFTJC-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO O=C(CCOC1CNC1)NCCC[NH+]1CCCC1 ZINC000348953882 373085117 /nfs/dbraw/zinc/08/51/17/373085117.db2.gz CAHQHCKPMUTCMR-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO C[N@H+](C[C@@H](O)CN1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357427 373102785 /nfs/dbraw/zinc/10/27/85/373102785.db2.gz MZOCZSGHJUPFEW-YPMHNXCESA-N 1 3 255.362 -0.361 20 0 CBADHO C[N@@H+](C[C@@H](O)CN1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000352357427 373102789 /nfs/dbraw/zinc/10/27/89/373102789.db2.gz MZOCZSGHJUPFEW-YPMHNXCESA-N 1 3 255.362 -0.361 20 0 CBADHO CC(C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1)S(C)(=O)=O ZINC000361107206 373262807 /nfs/dbraw/zinc/26/28/07/373262807.db2.gz JSIDOENSWVMNAB-IEBDPFPHSA-N 1 3 274.386 -0.076 20 0 CBADHO COCCNCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361710985 373327556 /nfs/dbraw/zinc/32/75/56/373327556.db2.gz ONGAZPAERMPWJA-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO COCCNCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000361710985 373327563 /nfs/dbraw/zinc/32/75/63/373327563.db2.gz ONGAZPAERMPWJA-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)[C@]1(F)CCNC1 ZINC000361710346 373328129 /nfs/dbraw/zinc/32/81/29/373328129.db2.gz IMQWSYLLCCPCDI-LBPRGKRZSA-N 1 3 261.341 -0.228 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(F)CCNC1 ZINC000361710346 373328135 /nfs/dbraw/zinc/32/81/35/373328135.db2.gz IMQWSYLLCCPCDI-LBPRGKRZSA-N 1 3 261.341 -0.228 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448786 373413363 /nfs/dbraw/zinc/41/33/63/373413363.db2.gz SHHKOBDHBUFJHK-ZIAGYGMSSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000362448786 373413370 /nfs/dbraw/zinc/41/33/70/373413370.db2.gz SHHKOBDHBUFJHK-ZIAGYGMSSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388241 373400447 /nfs/dbraw/zinc/40/04/47/373400447.db2.gz FVBXYCUYRCTSFR-ZIAGYGMSSA-N 1 3 282.432 -0.110 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388241 373400457 /nfs/dbraw/zinc/40/04/57/373400457.db2.gz FVBXYCUYRCTSFR-ZIAGYGMSSA-N 1 3 282.432 -0.110 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868558 373457817 /nfs/dbraw/zinc/45/78/17/373457817.db2.gz QFRRDAWNTQQXIM-RYUDHWBXSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868558 373457822 /nfs/dbraw/zinc/45/78/22/373457822.db2.gz QFRRDAWNTQQXIM-RYUDHWBXSA-N 1 3 269.389 -0.243 20 0 CBADHO O=C(C1C[NH2+]C1)N1CCCN(C2CCOCC2)CC1 ZINC000367809381 373539067 /nfs/dbraw/zinc/53/90/67/373539067.db2.gz FPWPGZZZXTWNBC-UHFFFAOYSA-N 1 3 267.373 -0.081 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417440845 373628078 /nfs/dbraw/zinc/62/80/78/373628078.db2.gz PDXPMNQJKULKRM-NWDGAFQWSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417439995 373628274 /nfs/dbraw/zinc/62/82/74/373628274.db2.gz NHENESGDAQYCGW-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417442537 373629138 /nfs/dbraw/zinc/62/91/38/373629138.db2.gz VAMXFOBKNDYTIY-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417442537 373629143 /nfs/dbraw/zinc/62/91/43/373629143.db2.gz VAMXFOBKNDYTIY-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417439020 373629778 /nfs/dbraw/zinc/62/97/78/373629778.db2.gz KOSQHDHZVVTGHX-LLVKDONJSA-N 1 3 260.382 -0.153 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417099429 373630058 /nfs/dbraw/zinc/63/00/58/373630058.db2.gz ZXLVDEAEGYJKCX-NSHDSACASA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCN1C ZINC000418002224 373632300 /nfs/dbraw/zinc/63/23/00/373632300.db2.gz MCMWVOVQRZRUAQ-GCHJQGSQSA-N 1 3 252.362 -0.014 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028415 373636505 /nfs/dbraw/zinc/63/65/05/373636505.db2.gz QHIRWTZKKBZAIB-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419419937 373638874 /nfs/dbraw/zinc/63/88/74/373638874.db2.gz JJHUZCKUYZGBAR-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419844648 373640605 /nfs/dbraw/zinc/64/06/05/373640605.db2.gz ZXTDIFHUTSZKJZ-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419957445 373643261 /nfs/dbraw/zinc/64/32/61/373643261.db2.gz PJQCDAQRLCUCQO-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419993823 373647208 /nfs/dbraw/zinc/64/72/08/373647208.db2.gz KRVIEHDFDSFJNZ-UPJWGTAASA-N 1 3 296.415 -0.075 20 0 CBADHO CNC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336595 373649343 /nfs/dbraw/zinc/64/93/43/373649343.db2.gz IXVYHFDFMLNHRN-MNOVXSKESA-N 1 3 268.361 -0.237 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422971382 373656510 /nfs/dbraw/zinc/65/65/10/373656510.db2.gz IOAYHBUHGHRFJQ-VXGBXAGGSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423677492 373660791 /nfs/dbraw/zinc/66/07/91/373660791.db2.gz KFGDKRCLMLUGDX-NWDGAFQWSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])CN1CCN(C)CC1 ZINC000424159123 373664735 /nfs/dbraw/zinc/66/47/35/373664735.db2.gz UVNIRQYWFNBHLU-TUAOUCFPSA-N 1 3 254.378 -0.667 20 0 CBADHO CC(C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000435245746 373677928 /nfs/dbraw/zinc/67/79/28/373677928.db2.gz DEQFGNNECUACKZ-SCZZXKLOSA-N 1 3 260.359 -0.228 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000515165016 373775913 /nfs/dbraw/zinc/77/59/13/373775913.db2.gz LFSWYICCZGOZMH-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CCCN(CCN(C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000514606003 373758232 /nfs/dbraw/zinc/75/82/32/373758232.db2.gz UPWNUJDWHDUXAO-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCCN(C)C ZINC000516490629 373813658 /nfs/dbraw/zinc/81/36/58/373813658.db2.gz LHHOZJJIKJQYID-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCCN(C)C ZINC000516490629 373813665 /nfs/dbraw/zinc/81/36/65/373813665.db2.gz LHHOZJJIKJQYID-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000520231879 373829604 /nfs/dbraw/zinc/82/96/04/373829604.db2.gz GOHYXWMUZZGHHK-GUBZILKMSA-N 1 3 257.334 -0.524 20 0 CBADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1C[NH2+]CCCO1 ZINC000520228438 373830234 /nfs/dbraw/zinc/83/02/34/373830234.db2.gz MAFLZMOEZAVCRE-QWRGUYRKSA-N 1 3 273.402 -0.424 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000520231877 373830769 /nfs/dbraw/zinc/83/07/69/373830769.db2.gz GOHYXWMUZZGHHK-AEJSXWLSSA-N 1 3 257.334 -0.524 20 0 CBADHO [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CNCCO1 ZINC000515308034 373781907 /nfs/dbraw/zinc/78/19/07/373781907.db2.gz QRLJAAOUCDQPCS-LBPRGKRZSA-N 1 3 263.341 -0.094 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000515520882 373791521 /nfs/dbraw/zinc/79/15/21/373791521.db2.gz BEUBQULZEVTXJI-VXGBXAGGSA-N 1 3 271.409 -0.389 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000515847944 373798102 /nfs/dbraw/zinc/79/81/02/373798102.db2.gz VGHAVYJVXOAPSE-GHMZBOCLSA-N 1 3 271.361 -0.003 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000515840051 373798148 /nfs/dbraw/zinc/79/81/48/373798148.db2.gz CKJCLFVSEKAWOX-VXGBXAGGSA-N 1 3 255.362 -0.192 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)N(C)C ZINC000521269467 373841256 /nfs/dbraw/zinc/84/12/56/373841256.db2.gz ARHPMUZDSNHLBC-VXGBXAGGSA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000522266324 373867610 /nfs/dbraw/zinc/86/76/10/373867610.db2.gz IFDRUVDGVGODSF-KGLIPLIRSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000522266324 373867621 /nfs/dbraw/zinc/86/76/21/373867621.db2.gz IFDRUVDGVGODSF-KGLIPLIRSA-N 1 3 282.432 -0.062 20 0 CBADHO CCC[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000527833015 373936387 /nfs/dbraw/zinc/93/63/87/373936387.db2.gz PKEOTBJKCUDKOZ-UHFFFAOYSA-N 1 3 251.338 -0.595 20 0 CBADHO CC(C)[C@H]1CNCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000529346331 374008314 /nfs/dbraw/zinc/00/83/14/374008314.db2.gz ZGMGWKRLIUAWKO-VXGBXAGGSA-N 1 3 270.377 -0.386 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529343576 374009108 /nfs/dbraw/zinc/00/91/08/374009108.db2.gz QFFWQPHQOXIBAJ-GHMZBOCLSA-N 1 3 268.361 -0.441 20 0 CBADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000529346330 374009378 /nfs/dbraw/zinc/00/93/78/374009378.db2.gz ZGMGWKRLIUAWKO-RYUDHWBXSA-N 1 3 270.377 -0.386 20 0 CBADHO CC(=O)N1CC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530680593 374093649 /nfs/dbraw/zinc/09/36/49/374093649.db2.gz NMNRCGZJCXMRQJ-CQSZACIVSA-N 1 3 298.431 -0.193 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)o1 ZINC000532637243 374170732 /nfs/dbraw/zinc/17/07/32/374170732.db2.gz SWZBGBIWMDGLMF-UHFFFAOYSA-N 1 3 296.371 -0.056 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CC1 ZINC000548819377 374217502 /nfs/dbraw/zinc/21/75/02/374217502.db2.gz VLPWEURWIQIYBJ-UHFFFAOYSA-N 1 3 284.404 -0.536 20 0 CBADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)NC(N)=O)C1 ZINC000548832088 374218281 /nfs/dbraw/zinc/21/82/81/374218281.db2.gz BHWMFBVAGLAMDN-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)NC(N)=O)C1 ZINC000548832088 374218288 /nfs/dbraw/zinc/21/82/88/374218288.db2.gz BHWMFBVAGLAMDN-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000580706221 374355395 /nfs/dbraw/zinc/35/53/95/374355395.db2.gz LFBIUGWGXGHXER-LBPRGKRZSA-N 1 3 294.399 -0.735 20 0 CBADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000580706221 374355403 /nfs/dbraw/zinc/35/54/03/374355403.db2.gz LFBIUGWGXGHXER-LBPRGKRZSA-N 1 3 294.399 -0.735 20 0 CBADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000580706210 374355498 /nfs/dbraw/zinc/35/54/98/374355498.db2.gz LFBIUGWGXGHXER-GFCCVEGCSA-N 1 3 294.399 -0.735 20 0 CBADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000580706210 374355506 /nfs/dbraw/zinc/35/55/06/374355506.db2.gz LFBIUGWGXGHXER-GFCCVEGCSA-N 1 3 294.399 -0.735 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H](CN)C1 ZINC000583311916 374360573 /nfs/dbraw/zinc/36/05/73/374360573.db2.gz HPZSDJCLNMAQGJ-JHJVBQTASA-N 1 3 283.420 -0.212 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](CN)C1 ZINC000583311915 374361795 /nfs/dbraw/zinc/36/17/95/374361795.db2.gz HPZSDJCLNMAQGJ-FRRDWIJNSA-N 1 3 283.420 -0.212 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000643794221 374421886 /nfs/dbraw/zinc/42/18/86/374421886.db2.gz LXTKIYZONQWVEL-AGIUHOORSA-N 1 3 267.373 -0.225 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](C)NC[C@H](O)CN1CCN(C)CC1 ZINC000574513598 335025166 /nfs/dbraw/zinc/02/51/66/335025166.db2.gz YKSZYNAJWKVIEP-GJZGRUSLSA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)[N@H+](C)C[C@H](C)NC[C@H](O)CN1CCN(C)CC1 ZINC000574513598 335025167 /nfs/dbraw/zinc/02/51/67/335025167.db2.gz YKSZYNAJWKVIEP-GJZGRUSLSA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)N(C)C[C@H](C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000574513598 335025169 /nfs/dbraw/zinc/02/51/69/335025169.db2.gz YKSZYNAJWKVIEP-GJZGRUSLSA-N 1 3 286.464 -0.087 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644161137 374496962 /nfs/dbraw/zinc/49/69/62/374496962.db2.gz QKVQTTMSLMYOFK-IUCAKERBSA-N 1 3 263.288 -0.664 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@H]1C[NH2+]CCC1(F)F ZINC000644161138 374497027 /nfs/dbraw/zinc/49/70/27/374497027.db2.gz QKVQTTMSLMYOFK-RKDXNWHRSA-N 1 3 263.288 -0.664 20 0 CBADHO COCCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000644554025 374592587 /nfs/dbraw/zinc/59/25/87/374592587.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554025 374592593 /nfs/dbraw/zinc/59/25/93/374592593.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554025 374592597 /nfs/dbraw/zinc/59/25/97/374592597.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@@H](CCN(C)C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000644562838 374595198 /nfs/dbraw/zinc/59/51/98/374595198.db2.gz BOGFFKRTFVLIAN-UONOGXRCSA-N 1 3 272.437 -0.476 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000644562838 374595202 /nfs/dbraw/zinc/59/52/02/374595202.db2.gz BOGFFKRTFVLIAN-UONOGXRCSA-N 1 3 272.437 -0.476 20 0 CBADHO CN(C)CCn1cc(NC(=O)CCOC2C[NH2+]C2)cn1 ZINC000645803283 374700729 /nfs/dbraw/zinc/70/07/29/374700729.db2.gz NDFDXBXDEPYPCD-UHFFFAOYSA-N 1 3 281.360 -0.238 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000645891280 374711345 /nfs/dbraw/zinc/71/13/45/374711345.db2.gz NQMJKTSVAPLPNZ-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953155 374717059 /nfs/dbraw/zinc/71/70/59/374717059.db2.gz FLMKBXLPNXJMSQ-OLZOCXBDSA-N 1 3 294.399 -0.545 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(CC2CC2)C1 ZINC000645953156 374717220 /nfs/dbraw/zinc/71/72/20/374717220.db2.gz FLMKBXLPNXJMSQ-QWHCGFSZSA-N 1 3 294.399 -0.545 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953213 374717892 /nfs/dbraw/zinc/71/78/92/374717892.db2.gz IVGKYPYKEBIEEY-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953213 374717897 /nfs/dbraw/zinc/71/78/97/374717897.db2.gz IVGKYPYKEBIEEY-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CNCCO3)C2)CC1 ZINC000645978193 374723128 /nfs/dbraw/zinc/72/31/28/374723128.db2.gz WPNSKPBMYLMKKS-TZMCWYRMSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CNCCO3)C2)CC1 ZINC000645978193 374723133 /nfs/dbraw/zinc/72/31/33/374723133.db2.gz WPNSKPBMYLMKKS-TZMCWYRMSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CNCCO3)C2)CC1 ZINC000645978193 374723136 /nfs/dbraw/zinc/72/31/36/374723136.db2.gz WPNSKPBMYLMKKS-TZMCWYRMSA-N 1 3 296.415 -0.741 20 0 CBADHO [NH3+]CC1(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)CC1 ZINC000646801478 374815733 /nfs/dbraw/zinc/81/57/33/374815733.db2.gz JFXDHEWDQMGJMN-UHFFFAOYSA-N 1 3 279.348 -0.718 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000646833188 374821747 /nfs/dbraw/zinc/82/17/47/374821747.db2.gz NIYBDIZYCRIQMU-MELADBBJSA-N 1 3 280.416 -0.277 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](CN)C1 ZINC000646833247 374822557 /nfs/dbraw/zinc/82/25/57/374822557.db2.gz XSAHSPCFHDRGCZ-GMXVVIOVSA-N 1 3 252.362 -0.913 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](CN)C1 ZINC000646833249 374822642 /nfs/dbraw/zinc/82/26/42/374822642.db2.gz XSAHSPCFHDRGCZ-GVXVVHGQSA-N 1 3 252.362 -0.913 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000646843026 374825660 /nfs/dbraw/zinc/82/56/60/374825660.db2.gz GPOZNNVYPWZADM-DCAQKATOSA-N 1 3 273.402 -0.344 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)N2CCNCC2)CCO1 ZINC000646844028 374825903 /nfs/dbraw/zinc/82/59/03/374825903.db2.gz NXIAOELINUFKFR-NWDGAFQWSA-N 1 3 284.404 -0.755 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000646851353 374827487 /nfs/dbraw/zinc/82/74/87/374827487.db2.gz UAFNUGBOISXXPP-RRKCRQDMSA-N 1 3 255.240 -0.549 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336214 374771292 /nfs/dbraw/zinc/77/12/92/374771292.db2.gz LGVDKLZUZDGLOM-CMPLNLGQSA-N 1 3 253.346 -0.425 20 0 CBADHO CC(C)(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCNCC1 ZINC000646336001 374771338 /nfs/dbraw/zinc/77/13/38/374771338.db2.gz FLTDEBXLWRVIIF-QWHCGFSZSA-N 1 3 280.416 -0.119 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000646350129 374772166 /nfs/dbraw/zinc/77/21/66/374772166.db2.gz BSBBTACPADXCCZ-OLZOCXBDSA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000646408242 374776195 /nfs/dbraw/zinc/77/61/95/374776195.db2.gz VSVOZVMSNPQVGT-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N(C)C ZINC000646427273 374777343 /nfs/dbraw/zinc/77/73/43/374777343.db2.gz XLCJCPFFEPYMSG-MNOVXSKESA-N 1 3 280.376 -0.290 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575424 374790538 /nfs/dbraw/zinc/79/05/38/374790538.db2.gz FLEULVWJRCRVGD-OAHLLOKOSA-N 1 3 290.411 -0.032 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647086677 374884624 /nfs/dbraw/zinc/88/46/24/374884624.db2.gz VPRNOZYJGDJOOJ-RWMBFGLXSA-N 1 3 267.373 -0.273 20 0 CBADHO COCCNCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646906016 374836960 /nfs/dbraw/zinc/83/69/60/374836960.db2.gz OUZNZVFPZMTPLO-ZDUSSCGKSA-N 1 3 295.387 -0.227 20 0 CBADHO C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000574569214 335030017 /nfs/dbraw/zinc/03/00/17/335030017.db2.gz LFEMCNSJFHCQMS-MXWKQRLJSA-N 1 3 268.361 -0.937 20 0 CBADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NC1CC1 ZINC000312660446 248168147 /nfs/dbraw/zinc/16/81/47/248168147.db2.gz GWROFMINXWDCPS-PHIMTYICSA-N 1 3 280.372 -0.094 20 0 CBADHO C[C@@H]1CN(CCOCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000357082079 248319054 /nfs/dbraw/zinc/31/90/54/248319054.db2.gz OOCJJNKGPYKNPE-OLZOCXBDSA-N 1 3 257.378 -0.386 20 0 CBADHO C[C@@H]1CN(CCOCC[NH3+])C[C@H]1N1CCOCC1 ZINC000357082076 248319145 /nfs/dbraw/zinc/31/91/45/248319145.db2.gz OOCJJNKGPYKNPE-CHWSQXEVSA-N 1 3 257.378 -0.386 20 0 CBADHO CS(=O)(=O)NCC[C@@H]1CCCCN1CCOCC[NH3+] ZINC000357100417 248322957 /nfs/dbraw/zinc/32/29/57/248322957.db2.gz FILAHZPYLDKELR-LBPRGKRZSA-N 1 3 293.433 -0.245 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574680993 335039014 /nfs/dbraw/zinc/03/90/14/335039014.db2.gz WPKQHVCGTASUHM-CHWSQXEVSA-N 1 3 283.420 -0.374 20 0 CBADHO COCCNCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127642 412885252 /nfs/dbraw/zinc/88/52/52/412885252.db2.gz QLCRIMUAMGCACB-RYUDHWBXSA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574692563 335040262 /nfs/dbraw/zinc/04/02/62/335040262.db2.gz ZKYKHBANYDQVLX-ZFWWWQNUSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H]1CC2(CN1C(=O)COC1CNC1)CC[NH2+]CC2 ZINC000424226346 296293857 /nfs/dbraw/zinc/29/38/57/296293857.db2.gz RNIZUGMSUFIEOU-LLVKDONJSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000347643200 218304864 /nfs/dbraw/zinc/30/48/64/218304864.db2.gz CGPMCEPSLCNVGE-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CNCCC1(F)F ZINC000418491452 207588638 /nfs/dbraw/zinc/58/86/38/207588638.db2.gz OGTLITDSDRBSAZ-SFYZADRCSA-N 1 3 250.293 -0.122 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419422240 207689605 /nfs/dbraw/zinc/68/96/05/207689605.db2.gz MJBLARSBJVNACN-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419865580 207749980 /nfs/dbraw/zinc/74/99/80/207749980.db2.gz AMQOAIWPWBZWNB-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000167264391 285031977 /nfs/dbraw/zinc/03/19/77/285031977.db2.gz NYUJJKBTINFXNY-ZDUSSCGKSA-N 1 3 299.415 -0.018 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423746757 207935078 /nfs/dbraw/zinc/93/50/78/207935078.db2.gz ROWXSEDOBNYZCE-NEPJUHHUSA-N 1 3 273.377 -0.471 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1C(=O)CNC1=O ZINC000427854458 208072281 /nfs/dbraw/zinc/07/22/81/208072281.db2.gz AVXBAKIMWCOKGH-ZJUUUORDSA-N 1 3 254.334 -0.532 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1C(=O)CNC1=O ZINC000427854458 208072284 /nfs/dbraw/zinc/07/22/84/208072284.db2.gz AVXBAKIMWCOKGH-ZJUUUORDSA-N 1 3 254.334 -0.532 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)CC1=O ZINC000428532396 208090876 /nfs/dbraw/zinc/09/08/76/208090876.db2.gz LWDYNDYCKYMMHJ-STQMWFEESA-N 1 3 296.415 -0.406 20 0 CBADHO COCCNCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430900715 285073951 /nfs/dbraw/zinc/07/39/51/285073951.db2.gz QSHQNGHXIGOYRY-LBPRGKRZSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCNCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430900715 285073954 /nfs/dbraw/zinc/07/39/54/285073954.db2.gz QSHQNGHXIGOYRY-LBPRGKRZSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430729638 208175661 /nfs/dbraw/zinc/17/56/61/208175661.db2.gz HBETUTMURFCMCY-VXGBXAGGSA-N 1 3 271.361 -0.798 20 0 CBADHO C[NH+](C)C1(CNC(=O)COC2CNC2)CCOCC1 ZINC000430701394 208172435 /nfs/dbraw/zinc/17/24/35/208172435.db2.gz VMCNSRHFSFRLHQ-UHFFFAOYSA-N 1 3 271.361 -0.798 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430718312 208174356 /nfs/dbraw/zinc/17/43/56/208174356.db2.gz BVVFDUBYIZOBMN-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)(C[NH3+])C(=O)NCCCN1CCC(O)CC1 ZINC000430748982 208179722 /nfs/dbraw/zinc/17/97/22/208179722.db2.gz HCGVLHPMAKRNEU-UHFFFAOYSA-N 1 3 257.378 -0.066 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)COC2CNC2)CC[N@@H+]1C ZINC000430785682 208182412 /nfs/dbraw/zinc/18/24/12/208182412.db2.gz YHLFSTOBZJFYON-GHMZBOCLSA-N 1 3 255.362 -0.084 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)COC2CNC2)CC[N@H+]1C ZINC000430785682 208182417 /nfs/dbraw/zinc/18/24/17/208182417.db2.gz YHLFSTOBZJFYON-GHMZBOCLSA-N 1 3 255.362 -0.084 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000430816993 208183752 /nfs/dbraw/zinc/18/37/52/208183752.db2.gz OXKUITDEILPVCQ-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000430816993 208183756 /nfs/dbraw/zinc/18/37/56/208183756.db2.gz OXKUITDEILPVCQ-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)C[C@H]1CNCCO1 ZINC000430816994 208185446 /nfs/dbraw/zinc/18/54/46/208185446.db2.gz OXKUITDEILPVCQ-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)C[C@H]1CNCCO1 ZINC000430816994 208185452 /nfs/dbraw/zinc/18/54/52/208185452.db2.gz OXKUITDEILPVCQ-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000430920821 208191692 /nfs/dbraw/zinc/19/16/92/208191692.db2.gz QGWFEUAXUHVMNZ-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO CNS(=O)(=O)CCCN1CCC([C@H](C)[NH3+])CC1 ZINC000430926587 208192402 /nfs/dbraw/zinc/19/24/02/208192402.db2.gz ONMSYUUFGDMFOW-JTQLQIEISA-N 1 3 263.407 -0.015 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000431002867 208195625 /nfs/dbraw/zinc/19/56/25/208195625.db2.gz CCLUYUCCHWPYCH-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431002323 208196507 /nfs/dbraw/zinc/19/65/07/208196507.db2.gz MNUIBDMHESEDOY-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431010808 208197804 /nfs/dbraw/zinc/19/78/04/208197804.db2.gz RQNQCNZLUVIDOU-CYBMUJFWSA-N 1 3 284.404 -0.881 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)CCC[NH3+])CC1 ZINC000431029625 208202551 /nfs/dbraw/zinc/20/25/51/208202551.db2.gz FVGDPXXWLUSPLY-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO COCCNCC(=O)NC1CC[NH+](CCOC)CC1 ZINC000431054845 208203032 /nfs/dbraw/zinc/20/30/32/208203032.db2.gz FNRYABDPIVXHFT-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO C[NH+](C)C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCC1 ZINC000438538795 208311072 /nfs/dbraw/zinc/31/10/72/208311072.db2.gz WKHSLEIZLKXTRC-CYBMUJFWSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000449608056 208500585 /nfs/dbraw/zinc/50/05/85/208500585.db2.gz DQPYNCWADZEJTD-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(N)=O ZINC000345221388 285242981 /nfs/dbraw/zinc/24/29/81/285242981.db2.gz LOZSEEKYLXUYOF-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(N)=O ZINC000345221388 285242982 /nfs/dbraw/zinc/24/29/82/285242982.db2.gz LOZSEEKYLXUYOF-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044788 335056241 /nfs/dbraw/zinc/05/62/41/335056241.db2.gz YOBUOYUAIKPGFQ-SFYZADRCSA-N 1 3 268.283 -0.714 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000342719824 533447182 /nfs/dbraw/zinc/44/71/82/533447182.db2.gz XUWODMSEYFOFMZ-LLVKDONJSA-N 1 3 271.361 -0.131 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339640092 533569118 /nfs/dbraw/zinc/56/91/18/533569118.db2.gz VCRCGCIHSMYLDX-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444168770 289020403 /nfs/dbraw/zinc/02/04/03/289020403.db2.gz JBIMCQATFQDNKX-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420066185 289368506 /nfs/dbraw/zinc/36/85/06/289368506.db2.gz QSKCUMCUJXPVHR-RYUDHWBXSA-N 1 3 282.388 -0.608 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417755673 292337065 /nfs/dbraw/zinc/33/70/65/292337065.db2.gz QYNNMGPXBHPKLL-LLVKDONJSA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631294 411623803 /nfs/dbraw/zinc/62/38/03/411623803.db2.gz UQNSPAMKNYPKEC-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO COCC[NH2+]CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418514765 292561993 /nfs/dbraw/zinc/56/19/93/292561993.db2.gz XNOZFQFDJIYQBI-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662747178 413990822 /nfs/dbraw/zinc/99/08/22/413990822.db2.gz UMGFQEZKQDMJQG-WOPDTQHZSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419412064 287348818 /nfs/dbraw/zinc/34/88/18/287348818.db2.gz QLCZTSSZKDZJTP-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000575178432 335076149 /nfs/dbraw/zinc/07/61/49/335076149.db2.gz ZKAGOEPEYUJBGU-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH+](C)C[C@H]1CCCCN1C(=O)COC1CNC1 ZINC000575178431 335076159 /nfs/dbraw/zinc/07/61/59/335076159.db2.gz ZKAGOEPEYUJBGU-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO [NH3+]CCn1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)nn1 ZINC000089699767 544436389 /nfs/dbraw/zinc/43/63/89/544436389.db2.gz QURXFMXTYZNHBJ-GFCCVEGCSA-N 1 3 292.387 -0.063 20 0 CBADHO C[C@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1C ZINC000098061765 544447221 /nfs/dbraw/zinc/44/72/21/544447221.db2.gz CIMVPKGJBVRQDZ-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@H+]1C ZINC000098061765 544447224 /nfs/dbraw/zinc/44/72/24/544447224.db2.gz CIMVPKGJBVRQDZ-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO CN(C)C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000333522054 544544262 /nfs/dbraw/zinc/54/42/62/544544262.db2.gz GTBXWCQUTSTNGN-URLYPYJESA-N 1 3 252.362 -0.012 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000238028329 544509187 /nfs/dbraw/zinc/50/91/87/544509187.db2.gz FTSADQXOSFKOEW-GFCCVEGCSA-N 1 3 254.378 -0.460 20 0 CBADHO CCCN(CCN(C)C)C(=O)CN1CC[NH2+]CC1 ZINC000041680280 419419832 /nfs/dbraw/zinc/41/98/32/419419832.db2.gz BCKQEYILQJGOKX-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000660926875 419458296 /nfs/dbraw/zinc/45/82/96/419458296.db2.gz SNOXPZMXDXSRJG-BFHYXJOUSA-N 1 3 271.405 -0.562 20 0 CBADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000660926875 419458303 /nfs/dbraw/zinc/45/83/03/419458303.db2.gz SNOXPZMXDXSRJG-BFHYXJOUSA-N 1 3 271.405 -0.562 20 0 CBADHO O=C([C@H]1CCC[N@H+](C[C@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243512 419557570 /nfs/dbraw/zinc/55/75/70/419557570.db2.gz MKUZDCKRDNITRL-UONOGXRCSA-N 1 3 296.415 -0.881 20 0 CBADHO O=C([C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243512 419557574 /nfs/dbraw/zinc/55/75/74/419557574.db2.gz MKUZDCKRDNITRL-UONOGXRCSA-N 1 3 296.415 -0.881 20 0 CBADHO O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256803 419561837 /nfs/dbraw/zinc/56/18/37/419561837.db2.gz KSXNYBZKYMQUKN-GRYCIOLGSA-N 1 3 265.357 -0.140 20 0 CBADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256740 419564299 /nfs/dbraw/zinc/56/42/99/419564299.db2.gz YKIMSOXGUQRYRV-VXGBXAGGSA-N 1 3 267.373 -0.035 20 0 CBADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256740 419564304 /nfs/dbraw/zinc/56/43/04/419564304.db2.gz YKIMSOXGUQRYRV-VXGBXAGGSA-N 1 3 267.373 -0.035 20 0 CBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662272210 419566051 /nfs/dbraw/zinc/56/60/51/419566051.db2.gz MDEAPXBSDGFWBV-QWHCGFSZSA-N 1 3 284.404 -0.706 20 0 CBADHO O[C@@H](CNCCCn1ccnn1)C[NH+]1CCCC1 ZINC000126901524 419495536 /nfs/dbraw/zinc/49/55/36/419495536.db2.gz LLUQRHVFNSGSEE-LBPRGKRZSA-N 1 3 253.350 -0.286 20 0 CBADHO COC[C@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])OC ZINC000662271686 419569568 /nfs/dbraw/zinc/56/95/68/419569568.db2.gz IKQFALGCOHASSY-STQMWFEESA-N 1 3 287.404 -0.033 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662274302 419569860 /nfs/dbraw/zinc/56/98/60/419569860.db2.gz UPMPNHAJVSQHCI-STQMWFEESA-N 1 3 291.399 -0.113 20 0 CBADHO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000662273279 419570207 /nfs/dbraw/zinc/57/02/07/419570207.db2.gz NHSJWIPJVZJCRO-NWDGAFQWSA-N 1 3 265.361 -0.645 20 0 CBADHO [NH3+]C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CCCO1 ZINC000662283031 419572896 /nfs/dbraw/zinc/57/28/96/419572896.db2.gz ZQCINTITQDDMLL-VXGBXAGGSA-N 1 3 255.362 -0.443 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237018263 419579461 /nfs/dbraw/zinc/57/94/61/419579461.db2.gz GPMNSBZPRSMNHM-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058023 419590578 /nfs/dbraw/zinc/59/05/78/419590578.db2.gz IYJRZEHTUCMYIM-GARJFASQSA-N 1 3 286.351 -0.939 20 0 CBADHO CS(=O)(=O)NC1CCN(CC2CC[NH2+]CC2)CC1 ZINC000647513580 419598859 /nfs/dbraw/zinc/59/88/59/419598859.db2.gz LDWPBFMAWFAEMC-UHFFFAOYSA-N 1 3 275.418 0.000 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647727192 419640031 /nfs/dbraw/zinc/64/00/31/419640031.db2.gz QGOKITXKZJSYFC-WDEREUQCSA-N 1 3 284.404 -0.327 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647727191 419640060 /nfs/dbraw/zinc/64/00/60/419640060.db2.gz QGOKITXKZJSYFC-GHMZBOCLSA-N 1 3 284.404 -0.327 20 0 CBADHO COCCN(C)CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662439976 419604993 /nfs/dbraw/zinc/60/49/93/419604993.db2.gz UMEIJVKUMGCODP-NSHDSACASA-N 1 3 295.387 -0.205 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000662445078 419606790 /nfs/dbraw/zinc/60/67/90/419606790.db2.gz NMUKGJFSPWVCEG-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000662445075 419607453 /nfs/dbraw/zinc/60/74/53/419607453.db2.gz NMUKGJFSPWVCEG-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO COC[C@]1(C(=O)NC2CCN(C)CC2)CC[NH2+]C1 ZINC000310846015 419617531 /nfs/dbraw/zinc/61/75/31/419617531.db2.gz NIYBGFKIYJJDJC-ZDUSSCGKSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)[NH2+]CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000662480366 419619013 /nfs/dbraw/zinc/61/90/13/419619013.db2.gz RQPDFIALLKUBCV-ZDUSSCGKSA-N 1 3 270.421 -0.016 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000647594962 419619826 /nfs/dbraw/zinc/61/98/26/419619826.db2.gz BFNXUASTMRCRFD-AXFHLTTASA-N 1 3 284.404 -0.173 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000647595064 419620224 /nfs/dbraw/zinc/62/02/24/419620224.db2.gz LMNMSXAWJUUUCC-SRVKXCTJSA-N 1 3 296.415 -0.005 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497458 419622805 /nfs/dbraw/zinc/62/28/05/419622805.db2.gz JNOQLNWOBVLWOE-ONGXEEELSA-N 1 3 278.360 -0.551 20 0 CBADHO C[C@H]1CCCN(C(=O)COC2(C)CNC2)[C@@H]1C[NH3+] ZINC000647820902 419662450 /nfs/dbraw/zinc/66/24/50/419662450.db2.gz LEFNQLKLLFYPBI-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]1CCCN(C(=O)COC2(C)CNC2)[C@H]1C[NH3+] ZINC000647820901 419663029 /nfs/dbraw/zinc/66/30/29/419663029.db2.gz LEFNQLKLLFYPBI-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCN1CC[NH2+]CC1)Cc1ccn(C)c(=O)c1 ZINC000647835787 419665741 /nfs/dbraw/zinc/66/57/41/419665741.db2.gz OKIQWNVZENOMNH-UHFFFAOYSA-N 1 3 264.373 -0.278 20 0 CBADHO C[C@H](CN1CCOCC1)N(C)CCN1CC[NH2+]CC1 ZINC000647836139 419665830 /nfs/dbraw/zinc/66/58/30/419665830.db2.gz AOHJEGTZMNQDAF-CQSZACIVSA-N 1 3 270.421 -0.456 20 0 CBADHO CCS(=O)(=O)NCCCN(C)CCN1CC[NH2+]CC1 ZINC000647836236 419669228 /nfs/dbraw/zinc/66/92/28/419669228.db2.gz SDSXKJNPEJOGPL-UHFFFAOYSA-N 1 3 292.449 -0.847 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000662668076 419672948 /nfs/dbraw/zinc/67/29/48/419672948.db2.gz ADPBBLWYRWXAQV-RYUDHWBXSA-N 1 3 255.362 -0.048 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CCN1 ZINC000662770235 419714859 /nfs/dbraw/zinc/71/48/59/419714859.db2.gz NGJHSKCOYTUOSC-TUAOUCFPSA-N 1 3 255.362 -0.193 20 0 CBADHO CO[C@H]1CCN(CCC(=O)N2CCNCC2)[C@@H](C[NH3+])C1 ZINC000647907027 419687449 /nfs/dbraw/zinc/68/74/49/419687449.db2.gz ZSEPPLBSIDYLLF-OLZOCXBDSA-N 1 3 284.404 -0.754 20 0 CBADHO CCCN1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662703213 419692567 /nfs/dbraw/zinc/69/25/67/419692567.db2.gz GWIIYLCXHRHSSU-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CC1(C(=O)NC2CCN([C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000662707458 419692927 /nfs/dbraw/zinc/69/29/27/419692927.db2.gz FKBXJVHDVULUOY-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])n1 ZINC000662704941 419693839 /nfs/dbraw/zinc/69/38/39/419693839.db2.gz MGMQIXMVXQYFCN-MNOVXSKESA-N 1 3 281.360 -0.253 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662702998 419694976 /nfs/dbraw/zinc/69/49/76/419694976.db2.gz GCLZKQZCAAEKSI-QWRGUYRKSA-N 1 3 259.350 -0.955 20 0 CBADHO C[NH2+]CCN(C)C(=O)NC[C@H]1CCCN1CCOC ZINC000417559919 544591292 /nfs/dbraw/zinc/59/12/92/544591292.db2.gz ATEFFDYISHJRSK-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])N(C)C1CC1 ZINC000662711853 419697081 /nfs/dbraw/zinc/69/70/81/419697081.db2.gz FEXZBKNTZVKHLN-YUSALJHKSA-N 1 3 255.362 -0.051 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662714814 419697791 /nfs/dbraw/zinc/69/77/91/419697791.db2.gz CINAIFAEVFUWNI-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(C)S(C)(=O)=O ZINC000662726580 419704516 /nfs/dbraw/zinc/70/45/16/419704516.db2.gz FAWQAPQDMZHAJU-RKDXNWHRSA-N 1 3 250.364 -0.091 20 0 CBADHO COCCCN(C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662743283 419706266 /nfs/dbraw/zinc/70/62/66/419706266.db2.gz NFZDEYYYIAVILY-RYUDHWBXSA-N 1 3 273.377 -0.565 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662758213 419709193 /nfs/dbraw/zinc/70/91/93/419709193.db2.gz OJPMWOZJPBIIOZ-HZSPNIEDSA-N 1 3 298.431 -0.508 20 0 CBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000647994340 419710053 /nfs/dbraw/zinc/71/00/53/419710053.db2.gz YXNGYJBDAGOUIY-KBPBESRZSA-N 1 3 296.415 -0.071 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC000662760507 419711797 /nfs/dbraw/zinc/71/17/97/419711797.db2.gz WROHEQWDCHBRRL-IHRRRGAJSA-N 1 3 280.416 -0.038 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)CNC[C@H]1CCCO1 ZINC000647770004 419652006 /nfs/dbraw/zinc/65/20/06/419652006.db2.gz SZBCXBXUZSSZHE-CYBMUJFWSA-N 1 3 284.404 -0.881 20 0 CBADHO NC1(C(=O)N2CCO[C@H](C[NH3+])C2)CC2(CCC2)C1 ZINC000662766223 419713797 /nfs/dbraw/zinc/71/37/97/419713797.db2.gz HEGQOZULNUQDLK-SNVBAGLBSA-N 1 3 253.346 -0.166 20 0 CBADHO C[NH2+]CC1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000647780174 419653304 /nfs/dbraw/zinc/65/33/04/419653304.db2.gz JBTYNHGULYZKGE-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662619457 419654093 /nfs/dbraw/zinc/65/40/93/419654093.db2.gz LTUZGSZXHZDVCT-JTQLQIEISA-N 1 3 280.376 -0.161 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CSCCN1 ZINC000647777173 419654246 /nfs/dbraw/zinc/65/42/46/419654246.db2.gz CJWVDIOKPYGKDH-GFCCVEGCSA-N 1 3 286.445 -0.555 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)CNC1CC1 ZINC000662633246 419658164 /nfs/dbraw/zinc/65/81/64/419658164.db2.gz JOJCUUBVLVDDOZ-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)C2(NC3CC3)CCC2)CCO1 ZINC000662765885 419714173 /nfs/dbraw/zinc/71/41/73/419714173.db2.gz DWZPFCXJWCIEII-NSHDSACASA-N 1 3 253.346 -0.153 20 0 CBADHO CC1(OCC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CNC1 ZINC000648103414 419727487 /nfs/dbraw/zinc/72/74/87/419727487.db2.gz REYBJRHNMOTNCD-NSHDSACASA-N 1 3 253.346 -0.282 20 0 CBADHO CCC[C@@H]1CNCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000648108440 419730828 /nfs/dbraw/zinc/73/08/28/419730828.db2.gz VDSFQKMTLUNKEP-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662796094 419731061 /nfs/dbraw/zinc/73/10/61/419731061.db2.gz IGJVWOROLKKCLQ-MNOVXSKESA-N 1 3 259.350 -0.955 20 0 CBADHO CC1(OCC(=O)NC[C@@]2(C)CCC[NH2+]C2)CNC1 ZINC000648109031 419732319 /nfs/dbraw/zinc/73/23/19/419732319.db2.gz OJURJLHSFZZYIC-LBPRGKRZSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C([C@@H]1CNCCOC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648124105 419740176 /nfs/dbraw/zinc/74/01/76/419740176.db2.gz QZGUJBNRQLIALT-IJLUTSLNSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662858632 419751405 /nfs/dbraw/zinc/75/14/05/419751405.db2.gz HAVSNBLTFKOMGY-PWSUYJOCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662858631 419753179 /nfs/dbraw/zinc/75/31/79/419753179.db2.gz HAVSNBLTFKOMGY-JQWIXIFHSA-N 1 3 272.393 -0.458 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000662872263 419760324 /nfs/dbraw/zinc/76/03/24/419760324.db2.gz AGNLPKUXKIVONE-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000662872744 419760688 /nfs/dbraw/zinc/76/06/88/419760688.db2.gz CGXCBAXBVFCYHQ-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662874051 419760740 /nfs/dbraw/zinc/76/07/40/419760740.db2.gz LUWCEIURYHYLDH-PHIMTYICSA-N 1 3 270.377 -0.798 20 0 CBADHO C[C@H]1CCN(C(=O)COC2(C)CNC2)C[C@@H]1C[NH3+] ZINC000648177704 419770951 /nfs/dbraw/zinc/77/09/51/419770951.db2.gz OXEIJUPNEABWIQ-QWRGUYRKSA-N 1 3 255.362 -0.192 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662913646 419772838 /nfs/dbraw/zinc/77/28/38/419772838.db2.gz RXGHKTAJYRMPJG-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662920994 419776272 /nfs/dbraw/zinc/77/62/72/419776272.db2.gz CHZNIJJDNJBWMK-UHFFFAOYSA-N 1 3 258.366 -0.798 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000662972985 419801244 /nfs/dbraw/zinc/80/12/44/419801244.db2.gz NMSAFKJNOBEJKR-ZDUSSCGKSA-N 1 3 299.415 -0.066 20 0 CBADHO NCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013950 419809666 /nfs/dbraw/zinc/80/96/66/419809666.db2.gz HUMYNJABUWUHES-NSHDSACASA-N 1 3 292.387 -0.516 20 0 CBADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663217067 419827660 /nfs/dbraw/zinc/82/76/60/419827660.db2.gz BKYQKDQMEXIENQ-JTQLQIEISA-N 1 3 271.386 -0.718 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCOC3(CNC3)C2)CC[N@@H+]1C ZINC000663218017 419829196 /nfs/dbraw/zinc/82/91/96/419829196.db2.gz VYYXBWYSHHPMDK-GHMZBOCLSA-N 1 3 253.346 -0.473 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCOC3(CNC3)C2)CC[N@H+]1C ZINC000663218017 419829203 /nfs/dbraw/zinc/82/92/03/419829203.db2.gz VYYXBWYSHHPMDK-GHMZBOCLSA-N 1 3 253.346 -0.473 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC[N@@H+]1C ZINC000649069670 419833270 /nfs/dbraw/zinc/83/32/70/419833270.db2.gz XNBUCAWOIIMEQN-FRRDWIJNSA-N 1 3 296.415 -0.095 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC[N@H+]1C ZINC000649069670 419833272 /nfs/dbraw/zinc/83/32/72/419833272.db2.gz XNBUCAWOIIMEQN-FRRDWIJNSA-N 1 3 296.415 -0.095 20 0 CBADHO CN1CCN(Cc2nc3c(s2)CNCC3)[C@@H](C[NH3+])C1 ZINC000663493775 419841497 /nfs/dbraw/zinc/84/14/97/419841497.db2.gz JVPAHDZTASRULC-JTQLQIEISA-N 1 3 281.429 -0.137 20 0 CBADHO CN(CC(=O)N1CCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663499144 419842333 /nfs/dbraw/zinc/84/23/33/419842333.db2.gz AYWCSICXHARQSL-CYBMUJFWSA-N 1 3 296.415 -0.262 20 0 CBADHO CN(CC(=O)N1CCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663499145 419842368 /nfs/dbraw/zinc/84/23/68/419842368.db2.gz AYWCSICXHARQSL-ZDUSSCGKSA-N 1 3 296.415 -0.262 20 0 CBADHO O=C(CCC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000663492713 419843282 /nfs/dbraw/zinc/84/32/82/419843282.db2.gz WNPLUUJOEYOEMN-UHFFFAOYSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC(N)=O ZINC000663568254 419845819 /nfs/dbraw/zinc/84/58/19/419845819.db2.gz MNRMFGMHJHWUIV-NSHDSACASA-N 1 3 287.408 -0.567 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC(N)=O ZINC000663568254 419845826 /nfs/dbraw/zinc/84/58/26/419845826.db2.gz MNRMFGMHJHWUIV-NSHDSACASA-N 1 3 287.408 -0.567 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662946726 419789158 /nfs/dbraw/zinc/78/91/58/419789158.db2.gz YMDVTWOICYDNPN-GFCCVEGCSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000662946294 419789361 /nfs/dbraw/zinc/78/93/61/419789361.db2.gz QTFYUNHYHGXTJI-SCZZXKLOSA-N 1 3 279.344 -0.355 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000662961715 419794864 /nfs/dbraw/zinc/79/48/64/419794864.db2.gz HHIXGIYOTYWDIT-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO COCCN(C)CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298821 419870008 /nfs/dbraw/zinc/87/00/08/419870008.db2.gz ALLQVGRBDMKYBE-GDNZZTSVSA-N 1 3 255.362 -0.464 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2NCC2(C)C)n1 ZINC000649313258 419877132 /nfs/dbraw/zinc/87/71/32/419877132.db2.gz UYKRUHNYZXPRSZ-NSHDSACASA-N 1 3 265.361 0.381 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000649313262 419880638 /nfs/dbraw/zinc/88/06/38/419880638.db2.gz VDHCNNWZLJISDV-IAZYJMLFSA-N 1 3 263.345 -0.151 20 0 CBADHO [NH3+]CCOCCN1CCC(Nc2cccnn2)CC1 ZINC000357075327 419883955 /nfs/dbraw/zinc/88/39/55/419883955.db2.gz GWMWZMWSYYPUPB-UHFFFAOYSA-N 1 3 265.361 0.328 20 0 CBADHO COC1CCN(CCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649343207 419898827 /nfs/dbraw/zinc/89/88/27/419898827.db2.gz NZRPUUHCIVJDSN-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649349795 419899350 /nfs/dbraw/zinc/89/93/50/419899350.db2.gz WTZCAUFEBWRQFW-UPJWGTAASA-N 1 3 266.389 -0.510 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350583 419899461 /nfs/dbraw/zinc/89/94/61/419899461.db2.gz QOCYPSOOOSCADH-SYQHCUMBSA-N 1 3 280.416 -0.121 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811783 544674254 /nfs/dbraw/zinc/67/42/54/544674254.db2.gz WDVWJBIAPDZRIM-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000667811783 544674256 /nfs/dbraw/zinc/67/42/56/544674256.db2.gz WDVWJBIAPDZRIM-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CO[C@H](C[NH3+])C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000649351767 419902736 /nfs/dbraw/zinc/90/27/36/419902736.db2.gz QIPWQZQSJDEJCI-CYBMUJFWSA-N 1 3 293.371 -0.254 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000649351768 419903529 /nfs/dbraw/zinc/90/35/29/419903529.db2.gz QIPWQZQSJDEJCI-ZDUSSCGKSA-N 1 3 293.371 -0.254 20 0 CBADHO CN(C)C(=O)CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000649411151 419908795 /nfs/dbraw/zinc/90/87/95/419908795.db2.gz XCLVREOBQZVUCP-CYBMUJFWSA-N 1 3 268.405 -0.308 20 0 CBADHO CCN1CCC(NC(=O)CN2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410846 419909260 /nfs/dbraw/zinc/90/92/60/419909260.db2.gz YIJXFNLNDHOOJR-JSGCOSHPSA-N 1 3 298.431 -0.365 20 0 CBADHO [NH3+]CCOCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649412459 419910489 /nfs/dbraw/zinc/91/04/89/419910489.db2.gz NINSSIGCKURCEL-CHWSQXEVSA-N 1 3 257.378 -0.507 20 0 CBADHO C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000664630153 419911459 /nfs/dbraw/zinc/91/14/59/419911459.db2.gz QFVSAYOAWQBAEU-UBHSHLNASA-N 1 3 296.415 -0.047 20 0 CBADHO C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000664630153 419911466 /nfs/dbraw/zinc/91/14/66/419911466.db2.gz QFVSAYOAWQBAEU-UBHSHLNASA-N 1 3 296.415 -0.047 20 0 CBADHO COC[C@@H](OC)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000668302392 544692090 /nfs/dbraw/zinc/69/20/90/544692090.db2.gz GICUQUJKGFVULG-GFCCVEGCSA-N 1 3 275.393 -0.400 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358674583 419912303 /nfs/dbraw/zinc/91/23/03/419912303.db2.gz BNRJJRQEHGOQMH-NFAWXSAZSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358674583 419912307 /nfs/dbraw/zinc/91/23/07/419912307.db2.gz BNRJJRQEHGOQMH-NFAWXSAZSA-N 1 3 296.415 -0.021 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CCO1 ZINC000669403284 544749276 /nfs/dbraw/zinc/74/92/76/544749276.db2.gz RHVSDZIJFZFPIS-SRVKXCTJSA-N 1 3 270.377 -0.162 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCN1 ZINC000669514868 544752156 /nfs/dbraw/zinc/75/21/56/544752156.db2.gz NVCGKKOQTOLTOH-NWDGAFQWSA-N 1 3 255.362 -0.179 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CCN2)CCO1 ZINC000669512837 544752715 /nfs/dbraw/zinc/75/27/15/544752715.db2.gz ZRGQXQUYUCMWTJ-WISYIIOYSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])CN1C1CC1 ZINC000669524699 544753115 /nfs/dbraw/zinc/75/31/15/544753115.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 1 3 295.431 -0.104 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651269607 419994614 /nfs/dbraw/zinc/99/46/14/419994614.db2.gz GTVUYQRONZBILD-TXEJJXNPSA-N 1 3 299.419 -0.615 20 0 CBADHO C[C@H](N)C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230650 419937438 /nfs/dbraw/zinc/93/74/38/419937438.db2.gz SVLRCSUDHZKNCO-UWVGGRQHSA-N 1 3 251.396 -0.017 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NCCCN(C)S(C)(=O)=O ZINC000665230650 419937442 /nfs/dbraw/zinc/93/74/42/419937442.db2.gz SVLRCSUDHZKNCO-UWVGGRQHSA-N 1 3 251.396 -0.017 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665295018 419937524 /nfs/dbraw/zinc/93/75/24/419937524.db2.gz ZRNZEDWNKYYWBZ-PSASIEDQSA-N 1 3 251.334 -0.142 20 0 CBADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230649 419937797 /nfs/dbraw/zinc/93/77/97/419937797.db2.gz SVLRCSUDHZKNCO-NXEZZACHSA-N 1 3 251.396 -0.017 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NCCCN(C)S(C)(=O)=O ZINC000665230649 419937802 /nfs/dbraw/zinc/93/78/02/419937802.db2.gz SVLRCSUDHZKNCO-NXEZZACHSA-N 1 3 251.396 -0.017 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294668 419938337 /nfs/dbraw/zinc/93/83/37/419938337.db2.gz TZFMNQPEUCBGBZ-WPRPVWTQSA-N 1 3 251.334 -0.272 20 0 CBADHO CCN1CCC(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359306552 419956624 /nfs/dbraw/zinc/95/66/24/419956624.db2.gz MMXWEXRUDFFRBD-CHWSQXEVSA-N 1 3 280.416 -0.262 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCCO ZINC000665636792 419959815 /nfs/dbraw/zinc/95/98/15/419959815.db2.gz JVPVLEGYJOUCNZ-LBPRGKRZSA-N 1 3 274.409 -0.060 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCCO ZINC000665636792 419959819 /nfs/dbraw/zinc/95/98/19/419959819.db2.gz JVPVLEGYJOUCNZ-LBPRGKRZSA-N 1 3 274.409 -0.060 20 0 CBADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[NH+](C)C ZINC000361713490 420021971 /nfs/dbraw/zinc/02/19/71/420021971.db2.gz HFVOAXBFJKCFCV-NSHDSACASA-N 1 3 282.392 0.516 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364193437 420031600 /nfs/dbraw/zinc/03/16/00/420031600.db2.gz MVWXVFNKKPKGQX-STQMWFEESA-N 1 3 263.341 -0.258 20 0 CBADHO CN1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](CN)C1 ZINC000652231899 420053933 /nfs/dbraw/zinc/05/39/33/420053933.db2.gz JVKXIVKXOSXRRL-NSHDSACASA-N 1 3 269.393 -0.600 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652237082 420054626 /nfs/dbraw/zinc/05/46/26/420054626.db2.gz GFWNTUAUSWQHMI-CYBMUJFWSA-N 1 3 270.377 -0.519 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000652612316 420070498 /nfs/dbraw/zinc/07/04/98/420070498.db2.gz OZGQMGZQKOEDKC-SECBINFHSA-N 1 3 254.338 -0.087 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105692 420055192 /nfs/dbraw/zinc/05/51/92/420055192.db2.gz QKMZOZNJYHMRAW-HJQYOEGKSA-N 1 3 253.346 -0.692 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652315760 420056486 /nfs/dbraw/zinc/05/64/86/420056486.db2.gz CTDJYHMNAGSGQR-CQSZACIVSA-N 1 3 286.420 -0.012 20 0 CBADHO CCO[C@@H]1CN(CCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000652356414 420058326 /nfs/dbraw/zinc/05/83/26/420058326.db2.gz INCFGRAFADBXAG-CHWSQXEVSA-N 1 3 284.404 -0.896 20 0 CBADHO COCC1(CNC(=O)[C@]2(F)CCNC2)CC[NH2+]CC1 ZINC000367375802 420102868 /nfs/dbraw/zinc/10/28/68/420102868.db2.gz WXSWRQMHKAETNI-ZDUSSCGKSA-N 1 3 273.352 -0.180 20 0 CBADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N(C)C ZINC000367376876 420103650 /nfs/dbraw/zinc/10/36/50/420103650.db2.gz DQBUZQQJPCKBRA-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CCCC1 ZINC000653347592 420142122 /nfs/dbraw/zinc/14/21/22/420142122.db2.gz HBQGAHWQCNVBPF-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000653054163 420111062 /nfs/dbraw/zinc/11/10/62/420111062.db2.gz AJPVXHBTXIXYJN-VHSXEESVSA-N 1 3 293.375 -0.330 20 0 CBADHO CN1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](CN)C1 ZINC000653055206 420111088 /nfs/dbraw/zinc/11/10/88/420111088.db2.gz VMXXNIVBMMNXBO-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](CN)C1 ZINC000653054970 420111774 /nfs/dbraw/zinc/11/17/74/420111774.db2.gz DJIMHQULLKMTSG-SDDRHHMPSA-N 1 3 254.378 -0.395 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](CN)C1 ZINC000653055204 420111973 /nfs/dbraw/zinc/11/19/73/420111973.db2.gz VMXXNIVBMMNXBO-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]1CN(C(=O)C2C[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000367824990 420117471 /nfs/dbraw/zinc/11/74/71/420117471.db2.gz QRDOREMOHZRZCH-LBPRGKRZSA-N 1 3 280.416 -0.167 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653116843 420118971 /nfs/dbraw/zinc/11/89/71/420118971.db2.gz WENLMTXJZQXSRT-STQMWFEESA-N 1 3 286.420 -0.508 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000653117923 420119553 /nfs/dbraw/zinc/11/95/53/420119553.db2.gz ZPPBFKHMJXYPAB-CHWSQXEVSA-N 1 3 268.405 -0.134 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000653115200 420120100 /nfs/dbraw/zinc/12/01/00/420120100.db2.gz GNVFCOTVUKYMLQ-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000653117926 420120200 /nfs/dbraw/zinc/12/02/00/420120200.db2.gz ZPPBFKHMJXYPAB-STQMWFEESA-N 1 3 268.405 -0.134 20 0 CBADHO COC1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653122266 420120700 /nfs/dbraw/zinc/12/07/00/420120700.db2.gz RQLLDVWHFHYYRB-WFASDCNBSA-N 1 3 297.399 -0.551 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@H](N)CC[NH+](C)C ZINC000653149902 420122747 /nfs/dbraw/zinc/12/27/47/420122747.db2.gz KYERABQVODRHJA-GFCCVEGCSA-N 1 3 274.409 -0.698 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653148750 420123632 /nfs/dbraw/zinc/12/36/32/420123632.db2.gz KCRMUSQGZAYHIP-NEPJUHHUSA-N 1 3 256.394 -0.182 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653163230 420124600 /nfs/dbraw/zinc/12/46/00/420124600.db2.gz MUDRJLPTVMQGFJ-TUAOUCFPSA-N 1 3 253.346 -0.378 20 0 CBADHO CCO[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000653243997 420129468 /nfs/dbraw/zinc/12/94/68/420129468.db2.gz UHAOGIOFBWVFOZ-GRYCIOLGSA-N 1 3 271.361 -0.813 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](C)C1 ZINC000368433488 420132837 /nfs/dbraw/zinc/13/28/37/420132837.db2.gz MPFABAJCRQHCAK-QNWHQSFQSA-N 1 3 269.389 -0.054 20 0 CBADHO O=C(CCOC1CNC1)NCCC1CC[NH2+]CC1 ZINC000653272489 420133506 /nfs/dbraw/zinc/13/35/06/420133506.db2.gz QHIBHZAJOJYELQ-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO CN(CCN1CCCCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000653275010 420134581 /nfs/dbraw/zinc/13/45/81/420134581.db2.gz UNZJSEGGDGRBDS-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H](O)CN[C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653283256 420136176 /nfs/dbraw/zinc/13/61/76/420136176.db2.gz WQWYOMIOAFUJOJ-NXEZZACHSA-N 1 3 257.334 -0.964 20 0 CBADHO C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CCCC1 ZINC000653347594 420140950 /nfs/dbraw/zinc/14/09/50/420140950.db2.gz HBQGAHWQCNVBPF-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CN(C)CCn1cc(NC(=O)N(C)CC[NH3+])cn1 ZINC000652612578 420071020 /nfs/dbraw/zinc/07/10/20/420071020.db2.gz WOCCSPRVWMHUTC-UHFFFAOYSA-N 1 3 254.338 -0.133 20 0 CBADHO C[C@H]([NH3+])CNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000652612317 420071205 /nfs/dbraw/zinc/07/12/05/420071205.db2.gz OZGQMGZQKOEDKC-VIFPVBQESA-N 1 3 254.338 -0.087 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N(C)C1CC1 ZINC000652686581 420072024 /nfs/dbraw/zinc/07/20/24/420072024.db2.gz KPXCRBWQXSLSNV-NSHDSACASA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652696554 420073317 /nfs/dbraw/zinc/07/33/17/420073317.db2.gz MRBRASAESYUZPU-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000652700388 420076307 /nfs/dbraw/zinc/07/63/07/420076307.db2.gz QKGQPDLMOMZBHT-CYBMUJFWSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000652700388 420076311 /nfs/dbraw/zinc/07/63/11/420076311.db2.gz QKGQPDLMOMZBHT-CYBMUJFWSA-N 1 3 298.431 -0.066 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714855 420077767 /nfs/dbraw/zinc/07/77/67/420077767.db2.gz TWQHNROESVLJCN-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000652733691 420078919 /nfs/dbraw/zinc/07/89/19/420078919.db2.gz NVECRENPFHULOK-GFCCVEGCSA-N 1 3 282.388 -0.830 20 0 CBADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000652733691 420078922 /nfs/dbraw/zinc/07/89/22/420078922.db2.gz NVECRENPFHULOK-GFCCVEGCSA-N 1 3 282.388 -0.830 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652731310 420078933 /nfs/dbraw/zinc/07/89/33/420078933.db2.gz HITPNZFYOBCBSA-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[N@@H+]1CC[C@]2(CCN(CCCC(=O)NC(N)=O)C2)C1 ZINC000366481137 420086554 /nfs/dbraw/zinc/08/65/54/420086554.db2.gz KQOJKYXBCDYPBZ-ZDUSSCGKSA-N 1 3 268.361 -0.011 20 0 CBADHO C[N@H+]1CC[C@]2(CCN(CCCC(=O)NC(N)=O)C2)C1 ZINC000366481137 420086558 /nfs/dbraw/zinc/08/65/58/420086558.db2.gz KQOJKYXBCDYPBZ-ZDUSSCGKSA-N 1 3 268.361 -0.011 20 0 CBADHO COC(=O)CNC(=O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366485465 420087576 /nfs/dbraw/zinc/08/75/76/420087576.db2.gz WIAXEDWSVHVBMY-AWEZNQCLSA-N 1 3 283.372 -0.307 20 0 CBADHO COC(=O)CNC(=O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485465 420087579 /nfs/dbraw/zinc/08/75/79/420087579.db2.gz WIAXEDWSVHVBMY-AWEZNQCLSA-N 1 3 283.372 -0.307 20 0 CBADHO COCCN(C)CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000370766944 420185795 /nfs/dbraw/zinc/18/57/95/420185795.db2.gz QMRPXQJSQPTGLI-AWEZNQCLSA-N 1 3 287.404 -0.303 20 0 CBADHO C[C@@H]1C[C@H](C)N(CCC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397377729 420216461 /nfs/dbraw/zinc/21/64/61/420216461.db2.gz JDBYACBHKJIUNH-UTLUCORTSA-N 1 3 256.350 -0.123 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654662450 420190036 /nfs/dbraw/zinc/19/00/36/420190036.db2.gz OVPOERDDPUQQGQ-MBNYWOFBSA-N 1 3 284.404 -0.308 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)n1 ZINC000375252757 420193023 /nfs/dbraw/zinc/19/30/23/420193023.db2.gz MGOXHRDZQIKFPH-FZMZJTMJSA-N 1 3 277.372 0.383 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000388501590 420204435 /nfs/dbraw/zinc/20/44/35/420204435.db2.gz HJSNPUOXEOKBIH-RYUDHWBXSA-N 1 3 291.417 -0.669 20 0 CBADHO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000388501590 420204438 /nfs/dbraw/zinc/20/44/38/420204438.db2.gz HJSNPUOXEOKBIH-RYUDHWBXSA-N 1 3 291.417 -0.669 20 0 CBADHO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000388501588 420206079 /nfs/dbraw/zinc/20/60/79/420206079.db2.gz HJSNPUOXEOKBIH-NEPJUHHUSA-N 1 3 291.417 -0.669 20 0 CBADHO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000388501588 420206084 /nfs/dbraw/zinc/20/60/84/420206084.db2.gz HJSNPUOXEOKBIH-NEPJUHHUSA-N 1 3 291.417 -0.669 20 0 CBADHO C[N@H+](C[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653829763 420166637 /nfs/dbraw/zinc/16/66/37/420166637.db2.gz WAAFUINGBCNGQC-BFHYXJOUSA-N 1 3 269.389 -0.808 20 0 CBADHO C[N@@H+](C[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653829763 420166642 /nfs/dbraw/zinc/16/66/42/420166642.db2.gz WAAFUINGBCNGQC-BFHYXJOUSA-N 1 3 269.389 -0.808 20 0 CBADHO COCCN(C)C[C@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404622154 420224593 /nfs/dbraw/zinc/22/45/93/420224593.db2.gz OVSRXGYHSYIFAR-ZDUSSCGKSA-N 1 3 297.403 -0.316 20 0 CBADHO COCCN(C)C[C@@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404622153 420224966 /nfs/dbraw/zinc/22/49/66/420224966.db2.gz OVSRXGYHSYIFAR-CYBMUJFWSA-N 1 3 297.403 -0.316 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405375851 420225453 /nfs/dbraw/zinc/22/54/53/420225453.db2.gz BGVOXVNXFLKJJL-XQQFMLRXSA-N 1 3 257.378 -0.950 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405375851 420225456 /nfs/dbraw/zinc/22/54/56/420225456.db2.gz BGVOXVNXFLKJJL-XQQFMLRXSA-N 1 3 257.378 -0.950 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000655245222 420232939 /nfs/dbraw/zinc/23/29/39/420232939.db2.gz FVPAMFDUFDDXRH-MJBXVCDLSA-N 1 3 280.416 -0.167 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000411028042 420235911 /nfs/dbraw/zinc/23/59/11/420235911.db2.gz PBOFVZZFFVBLNE-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000411028042 420235916 /nfs/dbraw/zinc/23/59/16/420235916.db2.gz PBOFVZZFFVBLNE-ZDUSSCGKSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000655294373 420238459 /nfs/dbraw/zinc/23/84/59/420238459.db2.gz VUQQZDSSKKEUDB-YVECIDJPSA-N 1 3 267.373 -0.396 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000655294373 420238463 /nfs/dbraw/zinc/23/84/63/420238463.db2.gz VUQQZDSSKKEUDB-YVECIDJPSA-N 1 3 267.373 -0.396 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418568861 420242174 /nfs/dbraw/zinc/24/21/74/420242174.db2.gz BPCRKPRQINCVOS-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000418948752 420243960 /nfs/dbraw/zinc/24/39/60/420243960.db2.gz QQOOMSKRIPYTJY-WDEREUQCSA-N 1 3 272.393 -0.314 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419415109 420245507 /nfs/dbraw/zinc/24/55/07/420245507.db2.gz UQTXLHHMLUVXMV-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419524954 420245866 /nfs/dbraw/zinc/24/58/66/420245866.db2.gz QQYCJGJBNZFBST-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419581935 420246175 /nfs/dbraw/zinc/24/61/75/420246175.db2.gz IUYNZAMZFCNHAP-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419575159 420246506 /nfs/dbraw/zinc/24/65/06/420246506.db2.gz AAZBLIFTNFWAFC-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](CN)C1 ZINC000655418513 420247374 /nfs/dbraw/zinc/24/73/74/420247374.db2.gz ACYKPRYTHYRHGW-OBJOEFQTSA-N 1 3 266.389 -0.523 20 0 CBADHO COCCNCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655451055 420249294 /nfs/dbraw/zinc/24/92/94/420249294.db2.gz AEBAZCBOOZDQJL-YPMHNXCESA-N 1 3 255.362 -0.272 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423270316 420255777 /nfs/dbraw/zinc/25/57/77/420255777.db2.gz HSIXAKZFWSCGIZ-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423583710 420257513 /nfs/dbraw/zinc/25/75/13/420257513.db2.gz ZMVKVONCVUGTLC-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1=O ZINC000655518625 420261366 /nfs/dbraw/zinc/26/13/66/420261366.db2.gz IMXGGKSCRVCNDJ-SFYZADRCSA-N 1 3 296.293 -0.668 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916742 420276721 /nfs/dbraw/zinc/27/67/21/420276721.db2.gz HMLFQJBUNWXJHH-RKDXNWHRSA-N 1 3 298.309 -0.104 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963263 420282540 /nfs/dbraw/zinc/28/25/40/420282540.db2.gz MWJIDQIKMUYCJE-OUAUKWLOSA-N 1 3 256.350 -0.958 20 0 CBADHO C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000655962062 420282557 /nfs/dbraw/zinc/28/25/57/420282557.db2.gz HTEWWMNSZYINCM-RFQIPJPRSA-N 1 3 296.415 -0.165 20 0 CBADHO CCC[NH2+]CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963254 420283479 /nfs/dbraw/zinc/28/34/79/420283479.db2.gz MNJSIQALALZDNI-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655970713 420284226 /nfs/dbraw/zinc/28/42/26/420284226.db2.gz XABCYBOPSRSMNE-WHOHXGKFSA-N 1 3 270.377 -0.427 20 0 CBADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655964517 420285001 /nfs/dbraw/zinc/28/50/01/420285001.db2.gz WLXNWCGODWTMQM-RWMBFGLXSA-N 1 3 282.388 -0.554 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965509 420285122 /nfs/dbraw/zinc/28/51/22/420285122.db2.gz FJYJPHAEHHDART-XQHKEYJVSA-N 1 3 282.388 -0.555 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967163 420285531 /nfs/dbraw/zinc/28/55/31/420285531.db2.gz OAIMSQMMJFOUNK-YVECIDJPSA-N 1 3 282.388 -0.555 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@@]3(C)C2)C1=O ZINC000656477940 420311107 /nfs/dbraw/zinc/31/11/07/420311107.db2.gz ODRYBYAFCNFPMM-TYNCELHUSA-N 1 3 295.383 -0.356 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@@]3(C)C2)C1=O ZINC000656477940 420311113 /nfs/dbraw/zinc/31/11/13/420311113.db2.gz ODRYBYAFCNFPMM-TYNCELHUSA-N 1 3 295.383 -0.356 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516787070 420364283 /nfs/dbraw/zinc/36/42/83/420364283.db2.gz LDSLLELSIJQIGI-WDEREUQCSA-N 1 3 268.361 -0.983 20 0 CBADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022156 420293598 /nfs/dbraw/zinc/29/35/98/420293598.db2.gz CKZPBWTWRJZTCY-UPJWGTAASA-N 1 3 298.431 -0.068 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028502 420294844 /nfs/dbraw/zinc/29/48/44/420294844.db2.gz LXEKPCQESZATBP-FRRDWIJNSA-N 1 3 294.399 -0.321 20 0 CBADHO CC[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)N(C)C ZINC000519765082 420387411 /nfs/dbraw/zinc/38/74/11/420387411.db2.gz DCRLKWXKAHPJBG-OCCSQVGLSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCCCN(C)CCOC ZINC000659437789 420418736 /nfs/dbraw/zinc/41/87/36/420418736.db2.gz HVEGHNLDMGLXPN-LLVKDONJSA-N 1 3 260.382 -0.138 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000659491240 420422916 /nfs/dbraw/zinc/42/29/16/420422916.db2.gz QBAIFLCZJHEMAV-GFCCVEGCSA-N 1 3 285.436 -0.081 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357586 420415171 /nfs/dbraw/zinc/41/51/71/420415171.db2.gz KIADLZAMMSYDMC-LLVKDONJSA-N 1 3 272.393 -0.680 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659358657 420416050 /nfs/dbraw/zinc/41/60/50/420416050.db2.gz SKCNPHKYDPORET-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659358659 420416139 /nfs/dbraw/zinc/41/61/39/420416139.db2.gz SKCNPHKYDPORET-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H]1CCN(C(=O)COC2(C)CNC2)[C@H](C[NH3+])C1 ZINC000659378633 420416931 /nfs/dbraw/zinc/41/69/31/420416931.db2.gz NAUPGWQGIGIGGR-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCN(C(=O)NCC2([NH3+])CCCC2)[C@H](CN)C1 ZINC000659575544 420434328 /nfs/dbraw/zinc/43/43/28/420434328.db2.gz PLQIOLYLFLTCKS-LLVKDONJSA-N 1 3 269.393 -0.458 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659514911 420426649 /nfs/dbraw/zinc/42/66/49/420426649.db2.gz AAUYKNDWZKKKFI-SECBINFHSA-N 1 3 282.348 -0.577 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659527915 420429054 /nfs/dbraw/zinc/42/90/54/420429054.db2.gz YAUMLOJDBYHMOP-NSHDSACASA-N 1 3 287.408 -0.757 20 0 CBADHO N[C@@H]1CN(C(=O)NCC2=CC[NH2+]CC2)CC[C@H]1F ZINC000659532268 420429422 /nfs/dbraw/zinc/42/94/22/420429422.db2.gz KDXOWQXRCBBOLJ-GHMZBOCLSA-N 1 3 256.325 -0.013 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659534344 420430528 /nfs/dbraw/zinc/43/05/28/420430528.db2.gz SFEMQCGKBSBXTF-PSASIEDQSA-N 1 3 294.359 -0.562 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CNCCO1 ZINC000659556549 420433611 /nfs/dbraw/zinc/43/36/11/420433611.db2.gz ZAXSPJRGODCPTH-WDEREUQCSA-N 1 3 258.366 -0.353 20 0 CBADHO Nc1nccc([C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1 ZINC000578893094 420467533 /nfs/dbraw/zinc/46/75/33/420467533.db2.gz ZSTGXEXBWDSQGT-CYBMUJFWSA-N 1 3 290.415 0.143 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000659753648 420468184 /nfs/dbraw/zinc/46/81/84/420468184.db2.gz QZWVHYBDHVLOSO-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000659752637 420468269 /nfs/dbraw/zinc/46/82/69/420468269.db2.gz KVKFOPUXLQRXRC-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000659755222 420469153 /nfs/dbraw/zinc/46/91/53/420469153.db2.gz JLJWJVWYAVGLAZ-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623255 420438320 /nfs/dbraw/zinc/43/83/20/420438320.db2.gz XYLOQXPTPRZPDE-GFCCVEGCSA-N 1 3 274.409 -0.027 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCOC2(CNC2)C1 ZINC000659619698 420439285 /nfs/dbraw/zinc/43/92/85/420439285.db2.gz RVJCSXRJHUWIMW-LLVKDONJSA-N 1 3 270.377 -0.256 20 0 CBADHO CN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659672940 420446261 /nfs/dbraw/zinc/44/62/61/420446261.db2.gz DERYMDADWDQGQK-UHFFFAOYSA-N 1 3 282.388 -0.416 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659675386 420446301 /nfs/dbraw/zinc/44/63/01/420446301.db2.gz TXUYQZJOEKJREF-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659684224 420449353 /nfs/dbraw/zinc/44/93/53/420449353.db2.gz GMROQNQHJWLFCZ-UHFFFAOYSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N(C)C1CC1 ZINC000659701901 420453042 /nfs/dbraw/zinc/45/30/42/420453042.db2.gz JNNDGUNJMLHPLN-JTQLQIEISA-N 1 3 284.404 -0.219 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659703296 420453209 /nfs/dbraw/zinc/45/32/09/420453209.db2.gz YEAMTFHOYXOERZ-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N(C)C1CC1 ZINC000659703213 420453402 /nfs/dbraw/zinc/45/34/02/420453402.db2.gz XRZTVSXUBBSINH-NLTNOIMHSA-N 1 3 294.399 -0.547 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659710512 420454907 /nfs/dbraw/zinc/45/49/07/420454907.db2.gz ROZYIDPMKDTNNG-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711601 420455107 /nfs/dbraw/zinc/45/51/07/420455107.db2.gz BCESOCBWTNXUBY-GFCCVEGCSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711719 420455425 /nfs/dbraw/zinc/45/54/25/420455425.db2.gz CQCZFNUCKQCHMI-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659711769 420455454 /nfs/dbraw/zinc/45/54/54/420455454.db2.gz ASJLCKVFPKCBEU-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000659712118 420455592 /nfs/dbraw/zinc/45/55/92/420455592.db2.gz IAVZUCZCYZPFAP-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659712815 420455633 /nfs/dbraw/zinc/45/56/33/420455633.db2.gz MFDQWWMGQUTPPL-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[NH2+]CC)C1 ZINC000659714800 420457163 /nfs/dbraw/zinc/45/71/63/420457163.db2.gz WBCYKJVCSNKVMC-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659715537 420457336 /nfs/dbraw/zinc/45/73/36/420457336.db2.gz PTMXBUJDMUQOJJ-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659718357 420457733 /nfs/dbraw/zinc/45/77/33/420457733.db2.gz PRVREBXYMASPTD-NEPJUHHUSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659716136 420457762 /nfs/dbraw/zinc/45/77/62/420457762.db2.gz WIEVZNSGQZQBLC-RYUDHWBXSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000659722123 420458815 /nfs/dbraw/zinc/45/88/15/420458815.db2.gz MQSKRJJUHFAKIM-AVGNSLFASA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659720272 420459327 /nfs/dbraw/zinc/45/93/27/420459327.db2.gz RXRZQZUPIIPKMH-VXGBXAGGSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659719506 420459594 /nfs/dbraw/zinc/45/95/94/420459594.db2.gz YMOCJJIVWCTECW-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659726596 420459798 /nfs/dbraw/zinc/45/97/98/420459798.db2.gz FESHZBKACXNQHL-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000659731468 420460761 /nfs/dbraw/zinc/46/07/61/420460761.db2.gz HICQLBWHNLMLKO-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731424 420460772 /nfs/dbraw/zinc/46/07/72/420460772.db2.gz CYHBSAKMVMQFSM-NSHDSACASA-N 1 3 268.361 -0.981 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659735306 420462189 /nfs/dbraw/zinc/46/21/89/420462189.db2.gz RGEFEMNVBQKVKI-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735269 420462206 /nfs/dbraw/zinc/46/22/06/420462206.db2.gz QVXAQYSLAQAMDA-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734312 420462277 /nfs/dbraw/zinc/46/22/77/420462277.db2.gz MLLJRCJBNDVBTB-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659738867 420463083 /nfs/dbraw/zinc/46/30/83/420463083.db2.gz JKAJTEPEGWLAKB-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659738540 420463231 /nfs/dbraw/zinc/46/32/31/420463231.db2.gz FWTAQEUIFCPSFP-GFCCVEGCSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000659750297 420467011 /nfs/dbraw/zinc/46/70/11/420467011.db2.gz BJTXVGBPNNJOND-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO [NH3+][C@@H]1C[C@@H]2CN(CC[C@@H]3CCOC3)CCN2C1=O ZINC000521646510 260198572 /nfs/dbraw/zinc/19/85/72/260198572.db2.gz VYAKQBQTBKGTLG-IJLUTSLNSA-N 1 3 253.346 -0.343 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@@H]([NH3+])C2)CC1 ZINC000430609300 269590537 /nfs/dbraw/zinc/59/05/37/269590537.db2.gz HGLZKZXBMKOPJV-LLVKDONJSA-N 1 3 254.378 -0.380 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC2(C[NH3+])CCCC2)CC1=O ZINC000237160223 276761894 /nfs/dbraw/zinc/76/18/94/276761894.db2.gz UNBXIFVFSDTFGL-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419585265 277032006 /nfs/dbraw/zinc/03/20/06/277032006.db2.gz LWBCQIWODZHVKK-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377566837 277248574 /nfs/dbraw/zinc/24/85/74/277248574.db2.gz YEOVYIWODULRMC-NWDGAFQWSA-N 1 3 268.405 -0.134 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659025 277286711 /nfs/dbraw/zinc/28/67/11/277286711.db2.gz ANWUAZPBJGUNHI-AAEUAGOBSA-N 1 3 257.378 -0.066 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000515659025 277286713 /nfs/dbraw/zinc/28/67/13/277286713.db2.gz ANWUAZPBJGUNHI-AAEUAGOBSA-N 1 3 257.378 -0.066 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419432157 277295617 /nfs/dbraw/zinc/29/56/17/277295617.db2.gz XVSRSKATOVQIOP-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037001340 277479093 /nfs/dbraw/zinc/47/90/93/277479093.db2.gz VHMRMAVFDGKQLB-WOPDTQHZSA-N 1 3 257.378 -0.198 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]1 ZINC000370093029 278024896 /nfs/dbraw/zinc/02/48/96/278024896.db2.gz HOLUFFMEUJQSGB-RKDXNWHRSA-N 1 3 263.345 -0.074 20 0 CBADHO C[C@H](CC(N)=O)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442888616 278165103 /nfs/dbraw/zinc/16/51/03/278165103.db2.gz GTJNMHQFJQRIBS-LLVKDONJSA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@H](CC(N)=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061042 278165148 /nfs/dbraw/zinc/16/51/48/278165148.db2.gz FHVFQVZAONJTNA-MNOVXSKESA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@H](CC(N)=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061042 278165150 /nfs/dbraw/zinc/16/51/50/278165150.db2.gz FHVFQVZAONJTNA-MNOVXSKESA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000351518591 278197813 /nfs/dbraw/zinc/19/78/13/278197813.db2.gz CRBGHLVSYSMVDF-ZYHUDNBSSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000487168357 288096513 /nfs/dbraw/zinc/09/65/13/288096513.db2.gz ZWBMIZHGCQGYDR-WZRBSPASSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000487168357 288096515 /nfs/dbraw/zinc/09/65/15/288096515.db2.gz ZWBMIZHGCQGYDR-WZRBSPASSA-N 1 3 255.362 -0.633 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCCC[NH2+]C ZINC000418920800 279114583 /nfs/dbraw/zinc/11/45/83/279114583.db2.gz BZMCPBMHLUNCIJ-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418952172 279127019 /nfs/dbraw/zinc/12/70/19/279127019.db2.gz VGZPDLHLXYDHPT-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376072255 279176829 /nfs/dbraw/zinc/17/68/29/279176829.db2.gz ZOBUBXORAIMQDY-STQMWFEESA-N 1 3 268.405 -0.134 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419522646 279190206 /nfs/dbraw/zinc/19/02/06/279190206.db2.gz MYQUMERBLSMCBD-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[N@H+](CCNC(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000358727730 279199792 /nfs/dbraw/zinc/19/97/92/279199792.db2.gz WNZBCLJOFVNXRQ-CQSZACIVSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[N@@H+](CCNC(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000358727730 279199794 /nfs/dbraw/zinc/19/97/94/279199794.db2.gz WNZBCLJOFVNXRQ-CQSZACIVSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698020 279294565 /nfs/dbraw/zinc/29/45/65/279294565.db2.gz RRLPHQXQEUBVCM-GHMZBOCLSA-N 1 3 282.388 -0.417 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262075543 279351862 /nfs/dbraw/zinc/35/18/62/279351862.db2.gz PUSNVNIOZVZZNK-ZDUSSCGKSA-N 1 3 268.405 -0.167 20 0 CBADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424157421 279356298 /nfs/dbraw/zinc/35/62/98/279356298.db2.gz QYMMIIRADHWRFJ-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357226279 279365885 /nfs/dbraw/zinc/36/58/85/279365885.db2.gz OFNUTNJFHJEEOF-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349009562 279369951 /nfs/dbraw/zinc/36/99/51/279369951.db2.gz XJHQECBKMODNFP-CYBMUJFWSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351561544 288126951 /nfs/dbraw/zinc/12/69/51/288126951.db2.gz YYMLBDXWDKHBEI-KGYLQXTDSA-N 1 3 294.399 -0.547 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419836517 279626498 /nfs/dbraw/zinc/62/64/98/279626498.db2.gz XXHRFDPRDAIZAG-LBPRGKRZSA-N 1 3 282.388 -0.462 20 0 CBADHO CC[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)N(C)C ZINC000338966535 280075129 /nfs/dbraw/zinc/07/51/29/280075129.db2.gz NHRSRPVEUWRCSV-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H](C)[NH3+])N1CCN(C)CC1 ZINC000040770534 280249223 /nfs/dbraw/zinc/24/92/23/280249223.db2.gz GKNDJSKGRRQDLR-NEPJUHHUSA-N 1 3 256.394 -0.278 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000262210380 280273866 /nfs/dbraw/zinc/27/38/66/280273866.db2.gz SYWDEELWKYJZMW-GVXVVHGQSA-N 1 3 284.404 -0.328 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262041244 280274123 /nfs/dbraw/zinc/27/41/23/280274123.db2.gz HQDHMZXNPGVPQU-GVXVVHGQSA-N 1 3 284.404 -0.280 20 0 CBADHO O=C1NCC[C@@H]1[NH+]1CCC(CN2CCOCC2)CC1 ZINC000178191008 280290462 /nfs/dbraw/zinc/29/04/62/280290462.db2.gz CKGRASZAZKTRGG-ZDUSSCGKSA-N 1 3 267.373 -0.081 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000332187914 288300762 /nfs/dbraw/zinc/30/07/62/288300762.db2.gz TXXZLXDVFMRLKY-GRYCIOLGSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000365334677 288325167 /nfs/dbraw/zinc/32/51/67/288325167.db2.gz RQEHBQOXBRMMRV-PSASIEDQSA-N 1 3 263.345 -0.217 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419819714 289042594 /nfs/dbraw/zinc/04/25/94/289042594.db2.gz NKIJXFPPEYWKKY-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000446616098 289051332 /nfs/dbraw/zinc/05/13/32/289051332.db2.gz VGILQYOHSIADSR-CQSZACIVSA-N 1 3 284.404 -0.164 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420161292 289127074 /nfs/dbraw/zinc/12/70/74/289127074.db2.gz CARBRCGKMUCGHC-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)C[C@H]1CN(CCN2CCCOCC2)CCO1 ZINC000361291304 289218184 /nfs/dbraw/zinc/21/81/84/289218184.db2.gz WZXGDIGUHMRKAK-AWEZNQCLSA-N 1 3 271.405 -0.029 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000331910035 289290611 /nfs/dbraw/zinc/29/06/11/289290611.db2.gz SPLWBHWWRWYPHX-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COC2CNC2)C1 ZINC000430775746 289298234 /nfs/dbraw/zinc/29/82/34/289298234.db2.gz MDKDHWAWHQWTKC-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000165607836 289353430 /nfs/dbraw/zinc/35/34/30/289353430.db2.gz MKSDRAKMPOJQMT-VXGBXAGGSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423235469 289367823 /nfs/dbraw/zinc/36/78/23/289367823.db2.gz NBWJNCJOOYGQMM-RYUDHWBXSA-N 1 3 282.388 -0.511 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419966381 289530699 /nfs/dbraw/zinc/53/06/99/289530699.db2.gz ZQZXQYWRXDMJHP-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CN)CC1 ZINC000420286126 290010720 /nfs/dbraw/zinc/01/07/20/290010720.db2.gz FPVZACVQQBJVEA-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CN)CC1 ZINC000420286126 290010724 /nfs/dbraw/zinc/01/07/24/290010724.db2.gz FPVZACVQQBJVEA-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO COC[C@]1(C(=O)N2CCNC(C)(C)C2)CC[NH2+]C1 ZINC000417841725 293266965 /nfs/dbraw/zinc/26/69/65/293266965.db2.gz TWKVNBAQYCLSFE-ZDUSSCGKSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH+](C)CCOCCNC(=O)[C@@H](N)CC(F)F ZINC000379818102 335091197 /nfs/dbraw/zinc/09/11/97/335091197.db2.gz ROWIIPNIKMXBNF-QMMMGPOBSA-N 1 3 253.293 -0.337 20 0 CBADHO CO[C@H](CN)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353441989 294408167 /nfs/dbraw/zinc/40/81/67/294408167.db2.gz GBTNOXLAWNUNQE-WCQYABFASA-N 1 3 287.404 -0.489 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000063180303 295234714 /nfs/dbraw/zinc/23/47/14/295234714.db2.gz OOIADNXEABPUSA-ZDUSSCGKSA-N 1 3 284.404 -0.895 20 0 CBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424153888 295324737 /nfs/dbraw/zinc/32/47/37/295324737.db2.gz LVNVBJHSLNZIED-RVMXOQNASA-N 1 3 294.399 -0.560 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332196348 295339378 /nfs/dbraw/zinc/33/93/78/295339378.db2.gz QNMGWJLAUOPVJH-STQMWFEESA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000332187917 297092483 /nfs/dbraw/zinc/09/24/83/297092483.db2.gz TXXZLXDVFMRLKY-IJLUTSLNSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000418759565 297547302 /nfs/dbraw/zinc/54/73/02/297547302.db2.gz GLUGRRBEUHZSQW-DCAQKATOSA-N 1 3 256.350 -0.633 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000261557952 298133000 /nfs/dbraw/zinc/13/30/00/298133000.db2.gz CXJBDBXQQGKYEB-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO CC(C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000261545130 298181212 /nfs/dbraw/zinc/18/12/12/298181212.db2.gz FPNOOVXAYDBWEX-ZYUZMQFOSA-N 1 3 262.375 -0.078 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423715849 298530276 /nfs/dbraw/zinc/53/02/76/298530276.db2.gz HUQGSMAHEUFHOW-GHMZBOCLSA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419429045 298557030 /nfs/dbraw/zinc/55/70/30/298557030.db2.gz UKVUQCZSIVXCKA-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419423371 298557123 /nfs/dbraw/zinc/55/71/23/298557123.db2.gz NGVUXQKNABBEHZ-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H]1N(C)C ZINC000331520275 300101937 /nfs/dbraw/zinc/10/19/37/300101937.db2.gz CMZGZYFGEWKSFR-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419841926 303381583 /nfs/dbraw/zinc/38/15/83/303381583.db2.gz VCGUIAHSHNLMPF-LBPRGKRZSA-N 1 3 282.388 -0.462 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCOC1CNC1 ZINC000349025590 303397019 /nfs/dbraw/zinc/39/70/19/303397019.db2.gz ICVFLKWFBYZILV-JQWIXIFHSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@H](N2CC=CC2)C1 ZINC000418666937 303926187 /nfs/dbraw/zinc/92/61/87/303926187.db2.gz FRPCMZNLKPDCSX-WUHRBBMRSA-N 1 3 262.357 -0.140 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)CCOC2CNC2)CC1 ZINC000582120062 327879836 /nfs/dbraw/zinc/87/98/36/327879836.db2.gz CFLYKEFHPICSIV-CYBMUJFWSA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@H]1C[C@@H](C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC[NH2+]1 ZINC000563102210 327924673 /nfs/dbraw/zinc/92/46/73/327924673.db2.gz NVQBNUNKAWVRJS-UWVGGRQHSA-N 1 3 293.375 -0.459 20 0 CBADHO C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000563116865 327925925 /nfs/dbraw/zinc/92/59/25/327925925.db2.gz OCGSPMKKASSAMZ-IJLUTSLNSA-N 1 3 255.362 -0.192 20 0 CBADHO Cc1nccn1CCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563444003 328067142 /nfs/dbraw/zinc/06/71/42/328067142.db2.gz ZYLIKEGNSQOBAZ-QWHCGFSZSA-N 1 3 277.372 -0.175 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000563618881 328077435 /nfs/dbraw/zinc/07/74/35/328077435.db2.gz QMRYDYIQFDLYIT-NSHDSACASA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000563618881 328077437 /nfs/dbraw/zinc/07/74/37/328077437.db2.gz QMRYDYIQFDLYIT-NSHDSACASA-N 1 3 282.388 -0.689 20 0 CBADHO CCN(CCO)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000571102799 328086635 /nfs/dbraw/zinc/08/66/35/328086635.db2.gz VACYEDVFZSFFCR-UHFFFAOYSA-N 1 3 297.403 -0.511 20 0 CBADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)COC2CNC2)CC1 ZINC000571164673 328089873 /nfs/dbraw/zinc/08/98/73/328089873.db2.gz VDJQRNYSRZRGHN-DZGCQCFKSA-N 1 3 297.399 -0.280 20 0 CBADHO CC(C)(CNC(=O)C(=O)NC1C[NH2+]C1)N1CCCCC1 ZINC000571303597 328101154 /nfs/dbraw/zinc/10/11/54/328101154.db2.gz CYFMMGUTQYVUDY-UHFFFAOYSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1NCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H]1C ZINC000571288024 328098314 /nfs/dbraw/zinc/09/83/14/328098314.db2.gz YQNWBHUYRQVJBM-SRVKXCTJSA-N 1 3 292.387 -0.148 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)C[C@@H]1CNCCO1)C(F)F ZINC000571325946 328107417 /nfs/dbraw/zinc/10/74/17/328107417.db2.gz XZKQLCRCLGMGDV-HTQZYQBOSA-N 1 3 251.277 -0.536 20 0 CBADHO [NH3+]CCOCCN1CC[C@@H](Nc2ncccn2)C1 ZINC000571521952 328131135 /nfs/dbraw/zinc/13/11/35/328131135.db2.gz IQVJRURJMGMILP-LLVKDONJSA-N 1 3 251.334 -0.062 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000571522577 328131615 /nfs/dbraw/zinc/13/16/15/328131615.db2.gz DOFJQWCUUKIOHV-APPZFPTMSA-N 1 3 280.319 -0.815 20 0 CBADHO C[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)CN1 ZINC000563704915 328483265 /nfs/dbraw/zinc/48/32/65/328483265.db2.gz BEKUYXBKNHWFRS-UWVGGRQHSA-N 1 3 266.349 -0.551 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)[C@H](C)CN1 ZINC000563704878 328483273 /nfs/dbraw/zinc/48/32/73/328483273.db2.gz BEKUYXBKNHWFRS-NXEZZACHSA-N 1 3 266.349 -0.551 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000557310417 327001377 /nfs/dbraw/zinc/00/13/77/327001377.db2.gz DFGHRGAOWWRLDJ-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584112045 327009550 /nfs/dbraw/zinc/00/95/50/327009550.db2.gz JUMFUYJZJPWOOP-RNCFNFMXSA-N 1 3 291.359 -0.848 20 0 CBADHO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000565833628 327031069 /nfs/dbraw/zinc/03/10/69/327031069.db2.gz MIEMMYRUVMLBOO-YNEHKIRRSA-N 1 3 268.405 -0.134 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](COCCOC)C1 ZINC000573126261 327100793 /nfs/dbraw/zinc/10/07/93/327100793.db2.gz MOMTZZWQKLPUKI-QWHCGFSZSA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](COCCOC)C1 ZINC000573126261 327100795 /nfs/dbraw/zinc/10/07/95/327100795.db2.gz MOMTZZWQKLPUKI-QWHCGFSZSA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](COCCOC)C1 ZINC000573126261 327100797 /nfs/dbraw/zinc/10/07/97/327100797.db2.gz MOMTZZWQKLPUKI-QWHCGFSZSA-N 1 3 260.378 -0.058 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)[C@H](C)CN1 ZINC000564931322 327160511 /nfs/dbraw/zinc/16/05/11/327160511.db2.gz GAYBFRAGGQZHEB-GHMZBOCLSA-N 1 3 280.376 -0.161 20 0 CBADHO O=C(CCN1CC[C@@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC000569455942 327180109 /nfs/dbraw/zinc/18/01/09/327180109.db2.gz FDJHOVOXPQTLCG-CQSZACIVSA-N 1 3 266.389 -0.506 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617731 327196550 /nfs/dbraw/zinc/19/65/50/327196550.db2.gz GDWISRMOSZQLHV-MNOVXSKESA-N 1 3 280.372 -0.582 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000566214100 327197383 /nfs/dbraw/zinc/19/73/83/327197383.db2.gz SHEPWRQQNLOLIT-DMIRSCGOSA-N 1 3 267.373 -0.147 20 0 CBADHO CN1CCN(C(=O)[C@H](N)CC(F)F)[C@H](C[NH3+])C1 ZINC000569577035 327200783 /nfs/dbraw/zinc/20/07/83/327200783.db2.gz WPRHEALGMRCZRT-HTQZYQBOSA-N 1 3 250.293 -0.930 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000569606199 327209832 /nfs/dbraw/zinc/20/98/32/327209832.db2.gz AMHLXGBODLIFPT-WDEREUQCSA-N 1 3 280.376 -0.161 20 0 CBADHO C[C@H]1NCCN(C(=O)COC2CC[NH2+]CC2)[C@@H]1C ZINC000584293023 327224015 /nfs/dbraw/zinc/22/40/15/327224015.db2.gz SZLPDMDGDGPPSK-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@H](CN)C1 ZINC000564944432 327247392 /nfs/dbraw/zinc/24/73/92/327247392.db2.gz PXKIWVSFLWGTNU-GHMZBOCLSA-N 1 3 292.387 -0.799 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000566236536 327253814 /nfs/dbraw/zinc/25/38/14/327253814.db2.gz FQMOCRNOJHFAIQ-TUAOUCFPSA-N 1 3 284.404 -0.219 20 0 CBADHO COCCNCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000583380398 327334468 /nfs/dbraw/zinc/33/44/68/327334468.db2.gz GPFPMNWJKNVQJO-JTQLQIEISA-N 1 3 281.360 -0.548 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000564991756 327343766 /nfs/dbraw/zinc/34/37/66/327343766.db2.gz ZMJDHTIJEFJWRQ-AAEUAGOBSA-N 1 3 270.377 -0.671 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000564994688 327347598 /nfs/dbraw/zinc/34/75/98/327347598.db2.gz SQYBSIJNCJBUIH-AAEUAGOBSA-N 1 3 284.404 -0.184 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000564994694 327347611 /nfs/dbraw/zinc/34/76/11/327347611.db2.gz SQYBSIJNCJBUIH-YPMHNXCESA-N 1 3 284.404 -0.184 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000578988911 327354102 /nfs/dbraw/zinc/35/41/02/327354102.db2.gz REWDJEXUWMNMFG-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+](C)C ZINC000566497119 327399645 /nfs/dbraw/zinc/39/96/45/327399645.db2.gz XBTOBGWYDVHWFG-UTUOFQBUSA-N 1 3 282.388 -0.657 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000570214235 327576429 /nfs/dbraw/zinc/57/64/29/327576429.db2.gz IBDBTAZYULNMDX-KOLCDFICSA-N 1 3 272.393 -0.425 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCOC1CNC1 ZINC000582959421 329289805 /nfs/dbraw/zinc/28/98/05/329289805.db2.gz ZNBGHJONOUPJLM-LLVKDONJSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000582965804 329294870 /nfs/dbraw/zinc/29/48/70/329294870.db2.gz ZQCIKIIIZLIQCA-SECBINFHSA-N 1 3 257.334 -0.393 20 0 CBADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)C1CC1 ZINC000583132924 329318938 /nfs/dbraw/zinc/31/89/38/329318938.db2.gz KJPUDSQMWAAMSG-YPMHNXCESA-N 1 3 283.420 -0.328 20 0 CBADHO CN1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000397488698 329356564 /nfs/dbraw/zinc/35/65/64/329356564.db2.gz GCPITMWKDAPRJH-LLVKDONJSA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000397488698 329356566 /nfs/dbraw/zinc/35/65/66/329356566.db2.gz GCPITMWKDAPRJH-LLVKDONJSA-N 1 3 255.362 -0.489 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000583198176 329360222 /nfs/dbraw/zinc/36/02/22/329360222.db2.gz NKOQZNIXUSDPET-RWMBFGLXSA-N 1 3 294.399 -0.641 20 0 CBADHO CN(CCC(=O)N1CCNCC1)[C@H](C[NH3+])C1CC1 ZINC000583204464 329363784 /nfs/dbraw/zinc/36/37/84/329363784.db2.gz WFDYIYCUOYPZPU-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)[C@H](CN)C1CC1 ZINC000583204464 329363785 /nfs/dbraw/zinc/36/37/85/329363785.db2.gz WFDYIYCUOYPZPU-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)[C@H](CN)C1CC1 ZINC000583204464 329363786 /nfs/dbraw/zinc/36/37/86/329363786.db2.gz WFDYIYCUOYPZPU-GFCCVEGCSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]1C[N@H+](CCCNCCC(=O)NC(N)=O)CCCO1 ZINC000572357111 330001088 /nfs/dbraw/zinc/00/10/88/330001088.db2.gz DIPPBCURNVICML-LLVKDONJSA-N 1 3 286.376 -0.338 20 0 CBADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)NC(N)=O)CCCO1 ZINC000572357111 330001089 /nfs/dbraw/zinc/00/10/89/330001089.db2.gz DIPPBCURNVICML-LLVKDONJSA-N 1 3 286.376 -0.338 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574990084 330123367 /nfs/dbraw/zinc/12/33/67/330123367.db2.gz FMTAOUDGAKPBRQ-WDEREUQCSA-N 1 3 269.345 -0.380 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000566249861 334638853 /nfs/dbraw/zinc/63/88/53/334638853.db2.gz PQKQUAKAIQBVAW-SCDSUCTJSA-N 1 3 284.404 -0.471 20 0 CBADHO [NH3+][C@H]1CCc2ncc(NC(=O)COC3CNC3)cc2C1 ZINC000575869654 335126559 /nfs/dbraw/zinc/12/65/59/335126559.db2.gz GHZFZFJKAQZXPZ-JTQLQIEISA-N 1 3 276.340 -0.176 20 0 CBADHO O=C(CCOC1CNC1)NCC[C@H]1CCC[NH2+]C1 ZINC000564321095 334089549 /nfs/dbraw/zinc/08/95/49/334089549.db2.gz NVWUIMSIMLMDSG-LLVKDONJSA-N 1 3 255.362 -0.129 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000576220068 335172493 /nfs/dbraw/zinc/17/24/93/335172493.db2.gz BRYZDSNVPWBRIL-LSDHHAIUSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000576220068 335172494 /nfs/dbraw/zinc/17/24/94/335172494.db2.gz BRYZDSNVPWBRIL-LSDHHAIUSA-N 1 3 286.464 -0.085 20 0 CBADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000251595702 334365092 /nfs/dbraw/zinc/36/50/92/334365092.db2.gz FQQLVIBPVKWVSW-QWRGUYRKSA-N 1 3 263.407 -0.145 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000564992806 334533164 /nfs/dbraw/zinc/53/31/64/334533164.db2.gz UKHSQKCWBWRAQF-MNOVXSKESA-N 1 3 271.361 -0.099 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCOCCN(C)C ZINC000565420712 334561832 /nfs/dbraw/zinc/56/18/32/334561832.db2.gz NIMHGMJDACMPNZ-QWRGUYRKSA-N 1 3 260.382 -0.010 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H](CN)c1ccccc1 ZINC000566212822 334636130 /nfs/dbraw/zinc/63/61/30/334636130.db2.gz WPVCXBBMJRTZMD-ZIAGYGMSSA-N 1 3 276.384 -0.251 20 0 CBADHO [NH3+]CC[C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000567109383 334681614 /nfs/dbraw/zinc/68/16/14/334681614.db2.gz CIUMMZPRQDWFHF-VXGBXAGGSA-N 1 3 255.362 -0.048 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567168685 334686744 /nfs/dbraw/zinc/68/67/44/334686744.db2.gz TWZVHSLHNJAVJR-KKZNHRDASA-N 1 3 258.366 -0.672 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@@]2(O)CN3CCC2CC3)CC1 ZINC000568211623 334804512 /nfs/dbraw/zinc/80/45/12/334804512.db2.gz DIAHKMGSVWHYPI-OAHLLOKOSA-N 1 3 281.400 -0.099 20 0 CBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CNC1 ZINC000568732243 334837961 /nfs/dbraw/zinc/83/79/61/334837961.db2.gz JDZGPYOVOSPTND-UHFFFAOYSA-N 1 3 268.361 -0.981 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000568766024 334840000 /nfs/dbraw/zinc/84/00/00/334840000.db2.gz GHWJXQPCIWMUBK-WCQYABFASA-N 1 3 270.377 -0.717 20 0 CBADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000573105026 334908529 /nfs/dbraw/zinc/90/85/29/334908529.db2.gz SCEJCOINGHISCL-JTQLQIEISA-N 1 3 266.349 -0.072 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000576574362 335220284 /nfs/dbraw/zinc/22/02/84/335220284.db2.gz CMNPOKWMINEIMY-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000576574362 335220285 /nfs/dbraw/zinc/22/02/85/335220285.db2.gz CMNPOKWMINEIMY-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1N(C)C ZINC000576744120 335241986 /nfs/dbraw/zinc/24/19/86/335241986.db2.gz XTSQKKIOBZUUII-QNWHQSFQSA-N 1 3 294.399 -0.785 20 0 CBADHO C[NH2+]CCC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000576819475 335251219 /nfs/dbraw/zinc/25/12/19/335251219.db2.gz HLEUMPZTSGNJRW-GFCCVEGCSA-N 1 3 257.378 -0.195 20 0 CBADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000576863372 335256944 /nfs/dbraw/zinc/25/69/44/335256944.db2.gz LISJBFFPUMEUML-MRVPVSSYSA-N 1 3 280.294 -0.570 20 0 CBADHO C[C@@]1(CNC(=O)C[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000577176436 335316170 /nfs/dbraw/zinc/31/61/70/335316170.db2.gz PRHYWXUWLYGJFJ-DGCLKSJQSA-N 1 3 255.362 -0.129 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CSCCN2)[C@H](C[NH3+])C1 ZINC000577371420 335342134 /nfs/dbraw/zinc/34/21/34/335342134.db2.gz BAJSVWQMNDXRLF-WDEREUQCSA-N 1 3 272.418 -0.817 20 0 CBADHO CN1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](CN)C1 ZINC000577726521 335392753 /nfs/dbraw/zinc/39/27/53/335392753.db2.gz NTYLCHALMVNEOJ-JTQLQIEISA-N 1 3 255.366 -0.848 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000577953202 335437039 /nfs/dbraw/zinc/43/70/39/335437039.db2.gz UTQLVOUHWQAALH-MFKMUULPSA-N 1 3 284.404 -0.328 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000578511524 335643089 /nfs/dbraw/zinc/64/30/89/335643089.db2.gz VEPVXRXKCPVQAF-OCCSQVGLSA-N 1 3 266.389 -0.508 20 0 CBADHO CC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000579025978 335702376 /nfs/dbraw/zinc/70/23/76/335702376.db2.gz OOTQWHAXLCTXDH-COPLHBTASA-N 1 3 280.372 -0.711 20 0 CBADHO COC[C@@]1(C(=O)NCCCN2CCC(O)CC2)CC[NH2+]C1 ZINC000581129909 336012429 /nfs/dbraw/zinc/01/24/29/336012429.db2.gz KDRNRAOOAJXWMJ-OAHLLOKOSA-N 1 3 299.415 -0.425 20 0 CBADHO CN1CCN(C(=O)NC[C@@H](N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300014 336041627 /nfs/dbraw/zinc/04/16/27/336041627.db2.gz FBEQERHLQFBRKD-ZIAGYGMSSA-N 1 3 291.399 -0.029 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000581479061 336086320 /nfs/dbraw/zinc/08/63/20/336086320.db2.gz URMMPGRJGQZBJH-VXGBXAGGSA-N 1 3 294.399 -0.321 20 0 CBADHO N[C@@H]1C[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499885 336090688 /nfs/dbraw/zinc/09/06/88/336090688.db2.gz VWJWBZFHNZQZFX-GRYCIOLGSA-N 1 3 252.362 -0.770 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000581546942 336099872 /nfs/dbraw/zinc/09/98/72/336099872.db2.gz PKVWJPWLTAEYCI-MNOVXSKESA-N 1 3 260.382 -0.274 20 0 CBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC2CNC2)([NH+](C)C)C1 ZINC000581874595 336156389 /nfs/dbraw/zinc/15/63/89/336156389.db2.gz TYDVZTAPFXVEBB-ABAIWWIYSA-N 1 3 296.415 -0.299 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000581955469 336179019 /nfs/dbraw/zinc/17/90/19/336179019.db2.gz LVAULISYTBEONA-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H](CC[NH+](C)C)NS(=O)(=O)N1CCNCC1 ZINC000049560541 524476056 /nfs/dbraw/zinc/47/60/56/524476056.db2.gz PWCQSRZERLOMFU-JTQLQIEISA-N 1 3 264.395 -0.934 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCO ZINC000829749129 582897580 /nfs/dbraw/zinc/89/75/80/582897580.db2.gz DAWCYJZIXUKABF-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCO ZINC000829749129 582897582 /nfs/dbraw/zinc/89/75/82/582897582.db2.gz DAWCYJZIXUKABF-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357252287 536505310 /nfs/dbraw/zinc/50/53/10/536505310.db2.gz WFTCOHDGKGSKMZ-NSHDSACASA-N 1 3 257.378 -0.074 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236881602 535701154 /nfs/dbraw/zinc/70/11/54/535701154.db2.gz GSXCYHIJWZYAJU-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370191622 535701128 /nfs/dbraw/zinc/70/11/28/535701128.db2.gz DMTIYZBTTOVLKY-ZDUSSCGKSA-N 1 3 272.368 -0.558 20 0 CBADHO CN(C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000357244447 535890868 /nfs/dbraw/zinc/89/08/68/535890868.db2.gz SBMMDBLZLIOFNK-JTQLQIEISA-N 1 3 266.349 -0.506 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000131958311 582123656 /nfs/dbraw/zinc/12/36/56/582123656.db2.gz XTEIRYQVBRXICV-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO COCCN(C)CCNC(=S)NCC[NH+](C)C ZINC000726907953 582139375 /nfs/dbraw/zinc/13/93/75/582139375.db2.gz RLVJUABIOMYLRE-UHFFFAOYSA-N 1 3 262.423 -0.410 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000783919017 582373135 /nfs/dbraw/zinc/37/31/35/582373135.db2.gz WSHLJMNXNLEOMV-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000783919017 582373136 /nfs/dbraw/zinc/37/31/36/582373136.db2.gz WSHLJMNXNLEOMV-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@]1(C(N)=O)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796581449 582412026 /nfs/dbraw/zinc/41/20/26/582412026.db2.gz QGSCYFFHHIPUPY-WCQYABFASA-N 1 3 255.362 -0.360 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnnn1C ZINC000807612552 582440081 /nfs/dbraw/zinc/44/00/81/582440081.db2.gz LIHXJLVCEJLLNF-UHFFFAOYSA-N 1 3 297.407 -0.550 20 0 CBADHO C[NH+]1CCC(OCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000824298060 582692633 /nfs/dbraw/zinc/69/26/33/582692633.db2.gz PMINQMUFUMWUKM-QWHCGFSZSA-N 1 3 297.399 -0.625 20 0 CBADHO [NH3+]CCCCCCNC(=O)N1CCOC2(CNC2)C1 ZINC000831299359 582975056 /nfs/dbraw/zinc/97/50/56/582975056.db2.gz RAOACFGKNOKIDG-UHFFFAOYSA-N 1 3 270.377 -0.111 20 0 CBADHO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@]1(F)CCNC1 ZINC000831683654 582993629 /nfs/dbraw/zinc/99/36/29/582993629.db2.gz XUBQQBRMAVYYPQ-AAEUAGOBSA-N 1 3 270.352 -0.806 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831822811 583004045 /nfs/dbraw/zinc/00/40/45/583004045.db2.gz OSNVGPQHQCHQKF-CYBMUJFWSA-N 1 3 273.352 -0.349 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000831971420 583009461 /nfs/dbraw/zinc/00/94/61/583009461.db2.gz XGJZNRSARQGUSJ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000832770666 583046735 /nfs/dbraw/zinc/04/67/35/583046735.db2.gz ZWQXSMZMDQCLCQ-SECBINFHSA-N 1 3 251.334 -0.232 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000842015194 583177797 /nfs/dbraw/zinc/17/77/97/583177797.db2.gz HOEDOAXLLQGMFR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016916 583178012 /nfs/dbraw/zinc/17/80/12/583178012.db2.gz ZNZLGMSLSUUCQB-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016012 583178037 /nfs/dbraw/zinc/17/80/37/583178037.db2.gz QJPBRJLJKXQPBY-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015838 583178182 /nfs/dbraw/zinc/17/81/82/583178182.db2.gz ONBSZXGPHHFXFX-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016919 583178270 /nfs/dbraw/zinc/17/82/70/583178270.db2.gz ZNZLGMSLSUUCQB-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842097796 583179238 /nfs/dbraw/zinc/17/92/38/583179238.db2.gz NRZATDYCVAHVHY-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000842260944 583182408 /nfs/dbraw/zinc/18/24/08/583182408.db2.gz XEAAMRGSJVRXLW-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512200 583184668 /nfs/dbraw/zinc/18/46/68/583184668.db2.gz IGFJMCHTQALCKA-YPMHNXCESA-N 1 3 253.346 -0.281 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000843504884 583231877 /nfs/dbraw/zinc/23/18/77/583231877.db2.gz CXVYXOXOAGBSLJ-YUMQZZPRSA-N 1 3 251.334 -0.089 20 0 CBADHO COCCCN(C)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844185003 583259314 /nfs/dbraw/zinc/25/93/14/583259314.db2.gz BVWMBLROPBIFQK-ZDUSSCGKSA-N 1 3 287.404 -0.161 20 0 CBADHO CC[NH2+]CC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000844190824 583259846 /nfs/dbraw/zinc/25/98/46/583259846.db2.gz BLPSRSYASWSMNN-ZDUSSCGKSA-N 1 3 270.421 -0.014 20 0 CBADHO CN(C)C(=O)[C@@H]1CN(CCCCCC[NH3+])CCN1 ZINC000846220307 583355997 /nfs/dbraw/zinc/35/59/97/583355997.db2.gz FLKNDXFHEWJVAT-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO [NH3+]CC1(CCNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000846692157 583383945 /nfs/dbraw/zinc/38/39/45/583383945.db2.gz QDRDWOKCHPVMRN-UHFFFAOYSA-N 1 3 263.345 -0.086 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846716616 583386116 /nfs/dbraw/zinc/38/61/16/583386116.db2.gz DFCVWIHDOANTRO-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO CS(=O)(=O)CCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000848717649 583456398 /nfs/dbraw/zinc/45/63/98/583456398.db2.gz CNLKPSZVUOALPA-WDEREUQCSA-N 1 3 264.391 -0.093 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017443 583468498 /nfs/dbraw/zinc/46/84/98/583468498.db2.gz HMNKRGUFZKRUHS-NSHDSACASA-N 1 3 265.365 -0.087 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017442 583468669 /nfs/dbraw/zinc/46/86/69/583468669.db2.gz HMNKRGUFZKRUHS-LLVKDONJSA-N 1 3 265.365 -0.087 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655927 583517967 /nfs/dbraw/zinc/51/79/67/583517967.db2.gz CRAMTENYEWFRCZ-SRVKXCTJSA-N 1 3 268.361 -0.489 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851657141 583518175 /nfs/dbraw/zinc/51/81/75/583518175.db2.gz VJHOURZQFBZDAG-SBEAFCBVSA-N 1 3 294.399 -0.018 20 0 CBADHO CN(CCC[NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851657290 583518226 /nfs/dbraw/zinc/51/82/26/583518226.db2.gz WOQGUCJMNWNSRM-NWDGAFQWSA-N 1 3 270.377 -0.160 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CNCCC1(F)F ZINC000851668164 583519657 /nfs/dbraw/zinc/51/96/57/583519657.db2.gz RYOOYVPOSAXODH-YUMQZZPRSA-N 1 3 250.293 -0.109 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852791746 583552769 /nfs/dbraw/zinc/55/27/69/583552769.db2.gz LQJLIELXIDEJLQ-GXSJLCMTSA-N 1 3 292.339 -0.085 20 0 CBADHO C[NH2+]CC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852796011 583552926 /nfs/dbraw/zinc/55/29/26/583552926.db2.gz OMLLXXCRFNCJGQ-JTQLQIEISA-N 1 3 254.334 -0.452 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1NCC12CCOCC2 ZINC000852825569 583556993 /nfs/dbraw/zinc/55/69/93/583556993.db2.gz RXXUIKBDSXUWOX-GHMZBOCLSA-N 1 3 253.346 -0.377 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852860372 583562532 /nfs/dbraw/zinc/56/25/32/583562532.db2.gz DBSFIXQWGFJVBR-GXSJLCMTSA-N 1 3 254.334 -0.454 20 0 CBADHO C[NH+]1CCC(CCNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852863311 583563159 /nfs/dbraw/zinc/56/31/59/583563159.db2.gz SZTLKCHIMSRQOT-LLVKDONJSA-N 1 3 268.361 -0.062 20 0 CBADHO C[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852864138 583563713 /nfs/dbraw/zinc/56/37/13/583563713.db2.gz XHBQVCFUPJGIET-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO C[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852864138 583563715 /nfs/dbraw/zinc/56/37/15/583563715.db2.gz XHBQVCFUPJGIET-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)=NO1 ZINC000852864322 583563772 /nfs/dbraw/zinc/56/37/72/583563772.db2.gz SAGGFTDLMNKIMD-VWYCJHECSA-N 1 3 282.344 -0.931 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](CN)C2)CC[N@@H+]1C ZINC000852868820 583564912 /nfs/dbraw/zinc/56/49/12/583564912.db2.gz VKXHEEYWWGLGEI-UTLUCORTSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](CN)C2)CC[N@H+]1C ZINC000852868820 583564913 /nfs/dbraw/zinc/56/49/13/583564913.db2.gz VKXHEEYWWGLGEI-UTLUCORTSA-N 1 3 254.334 -0.311 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872393 583565544 /nfs/dbraw/zinc/56/55/44/583565544.db2.gz FVBWRNMLGXEZJL-NEPJUHHUSA-N 1 3 297.403 -0.768 20 0 CBADHO C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC000852873124 583565580 /nfs/dbraw/zinc/56/55/80/583565580.db2.gz PNFNGXIJWBWYBA-RYUDHWBXSA-N 1 3 297.403 -0.910 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC000852873126 583565660 /nfs/dbraw/zinc/56/56/60/583565660.db2.gz PNFNGXIJWBWYBA-VXGBXAGGSA-N 1 3 297.403 -0.910 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875938 583566186 /nfs/dbraw/zinc/56/61/86/583566186.db2.gz UCLAXHLHXXJKFK-SKDRFNHKSA-N 1 3 252.318 -0.698 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCN1 ZINC000852879109 583566369 /nfs/dbraw/zinc/56/63/69/583566369.db2.gz QLWDCIQGVUZMJN-MWLCHTKSSA-N 1 3 254.334 -0.454 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852881228 583566798 /nfs/dbraw/zinc/56/67/98/583566798.db2.gz SZWCXSIZIJMRMY-CDLYGTGVSA-N 1 3 254.334 -0.407 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852881231 583566870 /nfs/dbraw/zinc/56/68/70/583566870.db2.gz SZWCXSIZIJMRMY-TURQNECASA-N 1 3 254.334 -0.407 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)=NO1 ZINC000852881994 583567004 /nfs/dbraw/zinc/56/70/04/583567004.db2.gz VBJBOAHPOUAYIP-GUBZILKMSA-N 1 3 252.318 -0.700 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC23CC[NH2+]CC3)=NO1 ZINC000852881723 583567037 /nfs/dbraw/zinc/56/70/37/583567037.db2.gz OLXMTQQSJFDKHG-WCBMZHEXSA-N 1 3 252.318 -0.652 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCCC[C@@H]2CC[NH3+])=NO1 ZINC000852881687 583567085 /nfs/dbraw/zinc/56/70/85/583567085.db2.gz ZOOQMARDQBJXJB-NXEZZACHSA-N 1 3 254.334 -0.180 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCCC[C@@H]2CC[NH3+])=NO1 ZINC000852881690 583567161 /nfs/dbraw/zinc/56/71/61/583567161.db2.gz ZOOQMARDQBJXJB-ZJUUUORDSA-N 1 3 254.334 -0.180 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852886354 583568660 /nfs/dbraw/zinc/56/86/60/583568660.db2.gz KHRMBSVUZPLXKW-SNVBAGLBSA-N 1 3 256.350 -0.110 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852886177 583568680 /nfs/dbraw/zinc/56/86/80/583568680.db2.gz YTYPYVJCMWWFSE-VHSXEESVSA-N 1 3 254.334 -0.357 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892318 583570230 /nfs/dbraw/zinc/57/02/30/583570230.db2.gz DKRFBTXVDOKPEH-NXEZZACHSA-N 1 3 266.345 -0.119 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852893996 583570970 /nfs/dbraw/zinc/57/09/70/583570970.db2.gz LOPFYZSPMPAWII-NSHDSACASA-N 1 3 268.361 -0.110 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C=C1CC[NH2+]CC1 ZINC000852907012 583573242 /nfs/dbraw/zinc/57/32/42/583573242.db2.gz BDEWWBFYWFMHGK-UHFFFAOYSA-N 1 3 296.415 -0.225 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000857102649 583664471 /nfs/dbraw/zinc/66/44/71/583664471.db2.gz ITNAMNFNJNQMGO-QJPTWQEYSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000857102650 583664483 /nfs/dbraw/zinc/66/44/83/583664483.db2.gz ITNAMNFNJNQMGO-SDDRHHMPSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000857110296 583665514 /nfs/dbraw/zinc/66/55/14/583665514.db2.gz ROFCAQCDCVRHCT-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CC[NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861572685 583771066 /nfs/dbraw/zinc/77/10/66/583771066.db2.gz WOSYGROAOWBZCK-RYUDHWBXSA-N 1 3 270.377 -0.160 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CNCCC1(F)F ZINC000861644897 583774945 /nfs/dbraw/zinc/77/49/45/583774945.db2.gz BCNJDSOEZRGAKC-SFYZADRCSA-N 1 3 250.293 -0.028 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000861645792 583775262 /nfs/dbraw/zinc/77/52/62/583775262.db2.gz JJIJWBOXTVBILP-SNVBAGLBSA-N 1 3 294.346 -0.139 20 0 CBADHO CN(CCOCC[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000861646224 583775304 /nfs/dbraw/zinc/77/53/04/583775304.db2.gz OVZIBFULXBRJAZ-SECBINFHSA-N 1 3 280.319 -0.400 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861744211 583783293 /nfs/dbraw/zinc/78/32/93/583783293.db2.gz USKBGKQPECFBSC-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744721 583783354 /nfs/dbraw/zinc/78/33/54/583783354.db2.gz ODCRIKAPOCVNPL-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000861757176 583784623 /nfs/dbraw/zinc/78/46/23/583784623.db2.gz OHQRNDUWCBVMHM-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1CC1 ZINC000861760080 583784811 /nfs/dbraw/zinc/78/48/11/583784811.db2.gz SUKJWDABDBGMMR-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000861763220 583785124 /nfs/dbraw/zinc/78/51/24/583785124.db2.gz MGEKIAYFUYGOKH-UWVGGRQHSA-N 1 3 270.377 -0.609 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861786717 583786642 /nfs/dbraw/zinc/78/66/42/583786642.db2.gz OSRARINWWITZBA-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCOC(=O)[C@H]1NCC[C@@H]1NCCOCC[NH2+]C ZINC000863543890 583845850 /nfs/dbraw/zinc/84/58/50/583845850.db2.gz FREJPFDADYDECB-QWRGUYRKSA-N 1 3 259.350 -0.894 20 0 CBADHO CS(=O)(=O)CCOCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863551509 583846407 /nfs/dbraw/zinc/84/64/07/583846407.db2.gz GKCLAVVFJWNQMT-GFCCVEGCSA-N 1 3 294.417 -0.906 20 0 CBADHO CCN1CCC(NC(=O)CN(C)C[C@@H](C)[NH3+])CC1 ZINC000863568335 583847158 /nfs/dbraw/zinc/84/71/58/583847158.db2.gz KAWVGLTXPOOWND-LLVKDONJSA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000863749887 583852330 /nfs/dbraw/zinc/85/23/30/583852330.db2.gz DYGHQFKCLRVPNJ-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000863752393 583852783 /nfs/dbraw/zinc/85/27/83/583852783.db2.gz DLOWPLWOFBLQCE-QWHCGFSZSA-N 1 3 296.415 -0.121 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863767490 583855262 /nfs/dbraw/zinc/85/52/62/583855262.db2.gz QKYLSDTXRNSOQR-XQQFMLRXSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000863767099 583855270 /nfs/dbraw/zinc/85/52/70/583855270.db2.gz JMGSOSICHOVFAJ-JTQLQIEISA-N 1 3 270.377 -0.655 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769080 583855471 /nfs/dbraw/zinc/85/54/71/583855471.db2.gz JBVMOYFVDVWIQH-NWDGAFQWSA-N 1 3 284.404 -0.267 20 0 CBADHO CN(C)CCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000864624280 583885244 /nfs/dbraw/zinc/88/52/44/583885244.db2.gz XBSSHRPZFVTXIU-UHFFFAOYSA-N 1 3 252.366 -0.713 20 0 CBADHO CN(C)CCNC(=S)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865242918 583901179 /nfs/dbraw/zinc/90/11/79/583901179.db2.gz HTKKQTGURALFAP-NSHDSACASA-N 1 3 288.461 -0.143 20 0 CBADHO CN(C)CCNC(=S)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865242918 583901182 /nfs/dbraw/zinc/90/11/82/583901182.db2.gz HTKKQTGURALFAP-NSHDSACASA-N 1 3 288.461 -0.143 20 0 CBADHO CC[NH+]1CCC(NC[C@]23COCCN2C(=O)COC3)CC1 ZINC000866557127 583924220 /nfs/dbraw/zinc/92/42/20/583924220.db2.gz YUJAYUADEVJUHA-OAHLLOKOSA-N 1 3 297.399 -0.312 20 0 CBADHO Cn1nnnc1CCN1CCC2(CC[NH2+]C2)CC1 ZINC000866666628 583926525 /nfs/dbraw/zinc/92/65/25/583926525.db2.gz VOXULKGUZDBEBX-UHFFFAOYSA-N 1 3 250.350 -0.172 20 0 CBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCn2cccn2)C1 ZINC000866714394 583928360 /nfs/dbraw/zinc/92/83/60/583928360.db2.gz NTHCLWFHBBUMGI-RWMBFGLXSA-N 1 3 291.355 -0.250 20 0 CBADHO O=C1NCCO[C@@H]2CCCN(CC3CC[NH2+]CC3)[C@@H]12 ZINC000866717461 583928643 /nfs/dbraw/zinc/92/86/43/583928643.db2.gz GFDSAXLPKUVQQE-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867743682 583962044 /nfs/dbraw/zinc/96/20/44/583962044.db2.gz GMDSEDAWGHNGRZ-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390991 583977134 /nfs/dbraw/zinc/97/71/34/583977134.db2.gz RLNWYNRRZCWTOR-GRYCIOLGSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390991 583977136 /nfs/dbraw/zinc/97/71/36/583977136.db2.gz RLNWYNRRZCWTOR-GRYCIOLGSA-N 1 3 282.388 -0.655 20 0 CBADHO CN(CCN)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868391855 583977143 /nfs/dbraw/zinc/97/71/43/583977143.db2.gz YLVFDJAJSWEQSB-UHFFFAOYSA-N 1 3 296.415 -0.262 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000869777563 584004033 /nfs/dbraw/zinc/00/40/33/584004033.db2.gz QITWVELIRUMFAC-RYUDHWBXSA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000869777563 584004035 /nfs/dbraw/zinc/00/40/35/584004035.db2.gz QITWVELIRUMFAC-RYUDHWBXSA-N 1 3 269.389 -0.101 20 0 CBADHO CN1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@@H](CN)C1 ZINC000870938023 584022026 /nfs/dbraw/zinc/02/20/26/584022026.db2.gz DQXDVGMVLKHBJO-LXVYMNJGSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](CN)C1 ZINC000870938874 584022277 /nfs/dbraw/zinc/02/22/77/584022277.db2.gz VQJYVTOIMHROAT-SRVKXCTJSA-N 1 3 254.378 -0.395 20 0 CBADHO CN1CCN(C(=O)CC[NH2+]CC2CC2)[C@@H](CN)C1 ZINC000870938914 584022328 /nfs/dbraw/zinc/02/23/28/584022328.db2.gz WHGLBWNZJQOXTO-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980908 584023804 /nfs/dbraw/zinc/02/38/04/584023804.db2.gz DSHGDHRCOLVZLF-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980908 584023805 /nfs/dbraw/zinc/02/38/05/584023805.db2.gz DSHGDHRCOLVZLF-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)CC[C@H]21 ZINC000870981245 584024024 /nfs/dbraw/zinc/02/40/24/584024024.db2.gz GTMYURWLSKUALF-JHJVBQTASA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)CC[C@H]21 ZINC000870981245 584024025 /nfs/dbraw/zinc/02/40/25/584024025.db2.gz GTMYURWLSKUALF-JHJVBQTASA-N 1 3 267.373 -0.083 20 0 CBADHO C[C@H](NC(=O)C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000870986080 584024400 /nfs/dbraw/zinc/02/44/00/584024400.db2.gz DWHFBDFEWSDMMA-CMPLNLGQSA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)(O)C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000872213636 584050540 /nfs/dbraw/zinc/05/05/40/584050540.db2.gz VFKUWCQKAPOJCA-RYUDHWBXSA-N 1 3 260.378 -0.445 20 0 CBADHO CC1(C)CCNCCN1C(=O)CN1CC[NH2+]CC1 ZINC000872301395 584055066 /nfs/dbraw/zinc/05/50/66/584055066.db2.gz UKUABVPQIDMBBM-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO Nc1cnc(CNCCCN2CC[NH2+]CC2)cn1 ZINC000873210406 584068809 /nfs/dbraw/zinc/06/88/09/584068809.db2.gz FFWFFPIXAGFRCJ-UHFFFAOYSA-N 1 3 250.350 -0.556 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC[C@]12COCCN1C(=O)COC2 ZINC000873265981 584069539 /nfs/dbraw/zinc/06/95/39/584069539.db2.gz KVWAYZGOGVLGFS-GMXVVIOVSA-N 1 3 271.361 -0.670 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507766 584130155 /nfs/dbraw/zinc/13/01/55/584130155.db2.gz MSSZJCFJCKZVDS-LBPRGKRZSA-N 1 3 254.378 -0.382 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876515318 584130655 /nfs/dbraw/zinc/13/06/55/584130655.db2.gz OOUQYVJMQLNLSB-JTQLQIEISA-N 1 3 251.334 -0.249 20 0 CBADHO C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@@H](C)N1 ZINC000876531203 584131803 /nfs/dbraw/zinc/13/18/03/584131803.db2.gz YPQVGPKAKFEPIT-RKDXNWHRSA-N 1 3 251.334 -0.299 20 0 CBADHO C[C@@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@H](C)N1 ZINC000876531201 584131825 /nfs/dbraw/zinc/13/18/25/584131825.db2.gz YPQVGPKAKFEPIT-DTORHVGOSA-N 1 3 251.334 -0.299 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532994 584131838 /nfs/dbraw/zinc/13/18/38/584131838.db2.gz NLOCHDMAZNQLIL-NWDGAFQWSA-N 1 3 256.394 -0.101 20 0 CBADHO CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000876542067 584132345 /nfs/dbraw/zinc/13/23/45/584132345.db2.gz LAMZSFPQDWFQBU-OUAUKWLOSA-N 1 3 258.341 -0.965 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](CN)C1 ZINC000876542322 584132356 /nfs/dbraw/zinc/13/23/56/584132356.db2.gz NXRUHLOOTKARMA-OUAUKWLOSA-N 1 3 254.378 -0.539 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876730424 584141332 /nfs/dbraw/zinc/14/13/32/584141332.db2.gz GELHDSFNSAZGTL-LLVKDONJSA-N 1 3 265.361 -0.051 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000876772701 584143609 /nfs/dbraw/zinc/14/36/09/584143609.db2.gz RAOXUJABDSDGCN-WOPDTQHZSA-N 1 3 256.394 -0.184 20 0 CBADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000876772701 584143611 /nfs/dbraw/zinc/14/36/11/584143611.db2.gz RAOXUJABDSDGCN-WOPDTQHZSA-N 1 3 256.394 -0.184 20 0 CBADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCNCC1 ZINC000876784778 584144625 /nfs/dbraw/zinc/14/46/25/584144625.db2.gz PHQBWFYRTLUYCV-YHWZYXNKSA-N 1 3 266.389 -0.238 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000876795401 584145190 /nfs/dbraw/zinc/14/51/90/584145190.db2.gz PAPHDHFSZPNHAW-LBPRGKRZSA-N 1 3 266.345 -0.149 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000876799607 584145527 /nfs/dbraw/zinc/14/55/27/584145527.db2.gz IHIPEHKBYDMRSL-BJDJZHNGSA-N 1 3 254.378 -0.539 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000876806872 584147276 /nfs/dbraw/zinc/14/72/76/584147276.db2.gz UTFXPAIHMUCZOZ-ZDUSSCGKSA-N 1 3 264.373 -0.137 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000876850307 584149720 /nfs/dbraw/zinc/14/97/20/584149720.db2.gz NXAMNWVSESDKHS-YUMQZZPRSA-N 1 3 283.401 -0.214 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000876863405 584150724 /nfs/dbraw/zinc/15/07/24/584150724.db2.gz BOSDGCSNEDDYFA-ATZCPNFKSA-N 1 3 277.315 -0.133 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000876863410 584150744 /nfs/dbraw/zinc/15/07/44/584150744.db2.gz BOSDGCSNEDDYFA-QXEWZRGKSA-N 1 3 277.315 -0.133 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000876863408 584150761 /nfs/dbraw/zinc/15/07/61/584150761.db2.gz BOSDGCSNEDDYFA-NGZCFLSTSA-N 1 3 277.315 -0.133 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000876868452 584151283 /nfs/dbraw/zinc/15/12/83/584151283.db2.gz DEVUNDIKAJCRKX-AVGNSLFASA-N 1 3 268.405 -0.277 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000876868454 584151326 /nfs/dbraw/zinc/15/13/26/584151326.db2.gz DEVUNDIKAJCRKX-XQQFMLRXSA-N 1 3 268.405 -0.277 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000876885256 584153348 /nfs/dbraw/zinc/15/33/48/584153348.db2.gz KNAFNLSOYJOJIO-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000876885256 584153351 /nfs/dbraw/zinc/15/33/51/584153351.db2.gz KNAFNLSOYJOJIO-RWMBFGLXSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)CCOCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876890388 584153703 /nfs/dbraw/zinc/15/37/03/584153703.db2.gz XVKSYEWBBZZIIE-GHMZBOCLSA-N 1 3 261.341 -0.372 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000876913877 584154917 /nfs/dbraw/zinc/15/49/17/584154917.db2.gz VKVCJSGOZRIUTK-AVGNSLFASA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876934842 584156764 /nfs/dbraw/zinc/15/67/64/584156764.db2.gz JZGUZSURJFHWAN-MNOVXSKESA-N 1 3 254.378 -0.334 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947566 584157606 /nfs/dbraw/zinc/15/76/06/584157606.db2.gz IVYBTJMLWYHDEC-LBPRGKRZSA-N 1 3 268.336 -0.211 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877016685 584161706 /nfs/dbraw/zinc/16/17/06/584161706.db2.gz BSPZSSNNXYZNQQ-GUBZILKMSA-N 1 3 296.337 -0.139 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000877102758 584166033 /nfs/dbraw/zinc/16/60/33/584166033.db2.gz DBQZZBCVRVLNPY-MNOVXSKESA-N 1 3 270.377 -0.798 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCCCC[C@@H]([NH3+])C2)=NO1 ZINC000877126198 584167535 /nfs/dbraw/zinc/16/75/35/584167535.db2.gz ZCGGRHSCQOIDBQ-ZJUUUORDSA-N 1 3 254.334 -0.180 20 0 CBADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000877146632 584168105 /nfs/dbraw/zinc/16/81/05/584168105.db2.gz WTVKLEFJZDDMPL-PWSUYJOCSA-N 1 3 266.345 -0.357 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153667 584168290 /nfs/dbraw/zinc/16/82/90/584168290.db2.gz XOYCFFWZRAVNHH-AAEUAGOBSA-N 1 3 298.431 -0.020 20 0 CBADHO CC[NH2+]CC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207782 584170598 /nfs/dbraw/zinc/17/05/98/584170598.db2.gz JDVIYOIPENBKRO-UHFFFAOYSA-N 1 3 288.355 -0.048 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000877243356 584172032 /nfs/dbraw/zinc/17/20/32/584172032.db2.gz OWEMCMIQEXTRNK-SDDRHHMPSA-N 1 3 282.388 -0.750 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CC[C@H]21 ZINC000877251115 584172892 /nfs/dbraw/zinc/17/28/92/584172892.db2.gz YOSYHDGZOOWJQG-NNYUYHANSA-N 1 3 253.346 -0.345 20 0 CBADHO C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CC[C@H]21 ZINC000877251115 584172894 /nfs/dbraw/zinc/17/28/94/584172894.db2.gz YOSYHDGZOOWJQG-NNYUYHANSA-N 1 3 253.346 -0.345 20 0 CBADHO COCCC1(NC(=O)C[C@@H]2CNCCO2)CC[NH2+]CC1 ZINC000877266161 584173928 /nfs/dbraw/zinc/17/39/28/584173928.db2.gz AHYAUQAUGLHAPU-GFCCVEGCSA-N 1 3 285.388 -0.360 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877267272 584173975 /nfs/dbraw/zinc/17/39/75/584173975.db2.gz WOMJWMGHMAIRQV-SDDRHHMPSA-N 1 3 254.378 -0.524 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877273257 584175150 /nfs/dbraw/zinc/17/51/50/584175150.db2.gz NKPGJZSBZZWAMO-VXGBXAGGSA-N 1 3 252.362 -0.756 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331952 584178771 /nfs/dbraw/zinc/17/87/71/584178771.db2.gz TVTAXFRTNDAFFN-GHMZBOCLSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]CCOCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346612 584179342 /nfs/dbraw/zinc/17/93/42/584179342.db2.gz FNLHHPMMWFCEDX-ZDUSSCGKSA-N 1 3 263.341 -0.208 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877358110 584179526 /nfs/dbraw/zinc/17/95/26/584179526.db2.gz ZZYOMFBMGYEHIA-CIUDSAMLSA-N 1 3 282.310 -0.529 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877358114 584179564 /nfs/dbraw/zinc/17/95/64/584179564.db2.gz ZZYOMFBMGYEHIA-YIZRAAEISA-N 1 3 282.310 -0.529 20 0 CBADHO COCCNCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371842 584179676 /nfs/dbraw/zinc/17/96/76/584179676.db2.gz WQBMHDCTRUJAMW-DTWKUNHWSA-N 1 3 283.294 -0.182 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373889 584180158 /nfs/dbraw/zinc/18/01/58/584180158.db2.gz NUUBAMQODHMWNO-OUJBWJOFSA-N 1 3 269.345 -0.665 20 0 CBADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450823 584182397 /nfs/dbraw/zinc/18/23/97/584182397.db2.gz GDUALWWLFOFSFZ-XFMPKHEZSA-N 1 3 279.384 -0.083 20 0 CBADHO CNC(=O)[C@@]1(C)CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878548656 584207965 /nfs/dbraw/zinc/20/79/65/584207965.db2.gz ZVJOVVNPTNIENA-HNNXBMFYSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCNC1=O ZINC000878968754 584221660 /nfs/dbraw/zinc/22/16/60/584221660.db2.gz ADOZXUXUMBGPGQ-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO C[C@]12CN(C[C@@H](O)C[NH+]3CCCC3)C[C@@]1(C)C(=O)NC2=O ZINC000879158778 584228839 /nfs/dbraw/zinc/22/88/39/584228839.db2.gz XYMIGOJLEQIXIK-TUKIKUTGSA-N 1 3 295.383 -0.572 20 0 CBADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880073133 584261370 /nfs/dbraw/zinc/26/13/70/584261370.db2.gz SYKFLKFHQVJHSS-RRFJBIMHSA-N 1 3 285.432 -0.172 20 0 CBADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880073133 584261372 /nfs/dbraw/zinc/26/13/72/584261372.db2.gz SYKFLKFHQVJHSS-RRFJBIMHSA-N 1 3 285.432 -0.172 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CCN(C)CCOCCO)CCN1C ZINC000883349572 584340319 /nfs/dbraw/zinc/34/03/19/584340319.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@@H]1C[C@H](NCCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349572 584340322 /nfs/dbraw/zinc/34/03/22/584340322.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@@H]1C[C@H](NCCN(C)CCOCCO)CC[N@H+]1C ZINC000883349572 584340324 /nfs/dbraw/zinc/34/03/24/584340324.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 1 3 273.421 -0.001 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCn3cnnn3)C2)C1 ZINC000883434725 584342334 /nfs/dbraw/zinc/34/23/34/584342334.db2.gz ZMFCTHUOAMFCOY-UPJWGTAASA-N 1 3 280.376 -0.109 20 0 CBADHO c1nnnn1CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000883437852 584342495 /nfs/dbraw/zinc/34/24/95/584342495.db2.gz CMFXUYATCROIDI-CYBMUJFWSA-N 1 3 280.376 -0.236 20 0 CBADHO N[C@@H](CC1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000884006501 584355391 /nfs/dbraw/zinc/35/53/91/584355391.db2.gz SUYPOEVXRQGSGO-LBPRGKRZSA-N 1 3 254.378 -0.475 20 0 CBADHO C[NH2+]CCCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884012815 584355632 /nfs/dbraw/zinc/35/56/32/584355632.db2.gz VRLSSHZZJCHIFL-UHFFFAOYSA-N 1 3 277.372 -0.170 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)c1ccnc(N2CCNCC2)c1 ZINC000884012027 584355692 /nfs/dbraw/zinc/35/56/92/584355692.db2.gz XIWRZKQPWAYQEC-CYBMUJFWSA-N 1 3 289.383 -0.027 20 0 CBADHO C[NH2+]CCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884023267 584356205 /nfs/dbraw/zinc/35/62/05/584356205.db2.gz HGNSJEIODXGEGJ-UHFFFAOYSA-N 1 3 263.345 -0.560 20 0 CBADHO CN(C(=O)c1ccnc(N2CCNCC2)c1)[C@H]1CC[NH2+]C1 ZINC000884028416 584356436 /nfs/dbraw/zinc/35/64/36/584356436.db2.gz GHGKWBHOROMMLE-ZDUSSCGKSA-N 1 3 289.383 -0.075 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](CN)C1 ZINC000884042057 584357413 /nfs/dbraw/zinc/35/74/13/584357413.db2.gz PACLUCAXMMAICB-QWRGUYRKSA-N 1 3 254.378 -0.667 20 0 CBADHO COCC[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000884192224 584365178 /nfs/dbraw/zinc/36/51/78/584365178.db2.gz ZRTSZPRAXKZCRK-CMPLNLGQSA-N 1 3 275.418 -0.096 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884243753 584369483 /nfs/dbraw/zinc/36/94/83/584369483.db2.gz OIQRPSOMHDVLQL-NSHDSACASA-N 1 3 277.372 -0.042 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000884383061 584377888 /nfs/dbraw/zinc/37/78/88/584377888.db2.gz ZEXWUIRHWUHBTE-GVXVVHGQSA-N 1 3 255.362 -0.062 20 0 CBADHO C[C@]1(NC(=O)c2ccnc(N3CCNCC3)c2)CC[NH2+]C1 ZINC000884422479 584380704 /nfs/dbraw/zinc/38/07/04/584380704.db2.gz XVFKQFWLNGQVCH-HNNXBMFYSA-N 1 3 289.383 -0.027 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884469654 584383473 /nfs/dbraw/zinc/38/34/73/584383473.db2.gz QPBXQALAZXYPMP-AULYBMBSSA-N 1 3 289.383 -0.042 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000884491124 584384795 /nfs/dbraw/zinc/38/47/95/584384795.db2.gz OAQVQAZRJZXJQB-RWMBFGLXSA-N 1 3 296.415 -0.075 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884545487 584387288 /nfs/dbraw/zinc/38/72/88/584387288.db2.gz JCPORPKGBJSIPH-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884545489 584387378 /nfs/dbraw/zinc/38/73/78/584387378.db2.gz JCPORPKGBJSIPH-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000884577191 584388756 /nfs/dbraw/zinc/38/87/56/584388756.db2.gz ZHVOOZYHUPBKCV-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC000884601590 584389643 /nfs/dbraw/zinc/38/96/43/584389643.db2.gz QALQGLGVGNMGDI-UHFFFAOYSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000884601529 584389699 /nfs/dbraw/zinc/38/96/99/584389699.db2.gz NYNHXTGTZMNQIR-WDEREUQCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)N(C)C1CC1 ZINC000884616902 584391067 /nfs/dbraw/zinc/39/10/67/584391067.db2.gz DTVJRCJEWNCXGV-OUAUKWLOSA-N 1 3 282.388 -0.467 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N(C)C1CC1 ZINC000884617521 584391227 /nfs/dbraw/zinc/39/12/27/584391227.db2.gz NKSUEWPVQLEXRL-IJLUTSLNSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1=CCN(C)CC1 ZINC000884623800 584391412 /nfs/dbraw/zinc/39/14/12/584391412.db2.gz PACYOCKNHNFHIT-DGCLKSJQSA-N 1 3 294.399 -0.297 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631560 584392335 /nfs/dbraw/zinc/39/23/35/584392335.db2.gz OFOGQMHFXNIJRJ-RTXFEEFZSA-N 1 3 294.399 -0.465 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884650436 584392505 /nfs/dbraw/zinc/39/25/05/584392505.db2.gz JHWVOCQTIPYLDW-SWLSCSKDSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884697886 584398417 /nfs/dbraw/zinc/39/84/17/584398417.db2.gz GIIKVHRNXUYBNE-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000884704721 584399248 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C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000889754860 584535485 /nfs/dbraw/zinc/53/54/85/584535485.db2.gz GQKSZMVKNXMDJU-IHRRRGAJSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000889754863 584535605 /nfs/dbraw/zinc/53/56/05/584535605.db2.gz GQKSZMVKNXMDJU-MELADBBJSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000889754863 584535606 /nfs/dbraw/zinc/53/56/06/584535606.db2.gz GQKSZMVKNXMDJU-MELADBBJSA-N 1 3 281.400 -0.004 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891492077 584582518 /nfs/dbraw/zinc/58/25/18/584582518.db2.gz DOMPQSMIZXFWSQ-XYPYZODXSA-N 1 3 258.366 -0.399 20 0 CBADHO COCCN(C)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891493225 584582606 /nfs/dbraw/zinc/58/26/06/584582606.db2.gz OPCOJKVDCKDTCS-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513945 584583529 /nfs/dbraw/zinc/58/35/29/584583529.db2.gz 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CN(C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892574637 584619436 /nfs/dbraw/zinc/61/94/36/584619436.db2.gz WCIBOQGQUXHAQO-NHCYSSNCSA-N 1 3 258.366 -0.665 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892686876 584622737 /nfs/dbraw/zinc/62/27/37/584622737.db2.gz DZBMVKSPOUIUFX-QWHCGFSZSA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892686876 584622738 /nfs/dbraw/zinc/62/27/38/584622738.db2.gz DZBMVKSPOUIUFX-QWHCGFSZSA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892686877 584622826 /nfs/dbraw/zinc/62/28/26/584622826.db2.gz DZBMVKSPOUIUFX-STQMWFEESA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892686877 584622827 /nfs/dbraw/zinc/62/28/27/584622827.db2.gz DZBMVKSPOUIUFX-STQMWFEESA-N 1 3 284.404 -0.090 20 0 CBADHO CN1C[C@H]2CCN(C(=O)NCCOCC[NH+](C)C)[C@@H]2C1 ZINC000894366648 584656693 /nfs/dbraw/zinc/65/66/93/584656693.db2.gz MVQCWXXZNLCBRK-CHWSQXEVSA-N 1 3 284.404 -0.090 20 0 CBADHO CN(C)S(=O)(=O)N1CC(NCC2CC[NH+](C)CC2)C1 ZINC000895660866 584683808 /nfs/dbraw/zinc/68/38/08/584683808.db2.gz YVQNQSFHIYECRY-UHFFFAOYSA-N 1 3 290.433 -0.592 20 0 CBADHO CN(CCO)CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000899737546 584777849 /nfs/dbraw/zinc/77/78/49/584777849.db2.gz LJRXUIBNSKJWNN-UHFFFAOYSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CCO)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899741899 584780162 /nfs/dbraw/zinc/78/01/62/584780162.db2.gz VSUSLZARAWBVIM-UHFFFAOYSA-N 1 3 285.388 -0.863 20 0 CBADHO COCCN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900519646 584809794 /nfs/dbraw/zinc/80/97/94/584809794.db2.gz ZTJLTFVGPNHUMI-UHFFFAOYSA-N 1 3 255.362 -0.223 20 0 CBADHO CN1CCC(O)(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900901899 584832415 /nfs/dbraw/zinc/83/24/15/584832415.db2.gz WHWUIORUNBMLAV-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO CN1CCC(O)(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900901899 584832416 /nfs/dbraw/zinc/83/24/16/584832416.db2.gz WHWUIORUNBMLAV-HNNXBMFYSA-N 1 3 299.415 -0.594 20 0 CBADHO CN(C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC000901340804 584862045 /nfs/dbraw/zinc/86/20/45/584862045.db2.gz HRIFTXBQYNPCQF-UHFFFAOYSA-N 1 3 255.362 -0.223 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NCC(=O)N2CCNCC2)C1 ZINC000902391111 584876273 /nfs/dbraw/zinc/87/62/73/584876273.db2.gz UIOIRFNRDVXUHF-GFCCVEGCSA-N 1 3 268.405 -0.214 20 0 CBADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]21 ZINC000903463715 584890866 /nfs/dbraw/zinc/89/08/66/584890866.db2.gz JXONVVPLKFEOCD-SJHCENCUSA-N 1 3 288.413 -0.142 20 0 CBADHO CC[C@@H](C(N)=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493401 584891785 /nfs/dbraw/zinc/89/17/85/584891785.db2.gz RKMNSZLJGNIAJZ-WJZNIJOASA-N 1 3 269.345 -0.537 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)N(C)C)C2 ZINC000903493168 584891849 /nfs/dbraw/zinc/89/18/49/584891849.db2.gz NIFXRHIPSROWTC-DYNIEEOBSA-N 1 3 283.372 -0.325 20 0 CBADHO CC(C)(C[NH3+])C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000903523276 584892347 /nfs/dbraw/zinc/89/23/47/584892347.db2.gz RHYBGXNFOMNZFT-UHFFFAOYSA-N 1 3 275.418 -0.015 20 0 CBADHO CC(=O)NCCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764707 584898013 /nfs/dbraw/zinc/89/80/13/584898013.db2.gz VGVZYFUMRZTRPG-OLZOCXBDSA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH2+]CCN(C(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(C)C ZINC000903809053 584900376 /nfs/dbraw/zinc/90/03/76/584900376.db2.gz NJOIFPYADWVEPG-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@](Cn1cccn1)(NC[C@@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC000903829609 584901138 /nfs/dbraw/zinc/90/11/38/584901138.db2.gz IHQSTMAZMLENSB-WCQYABFASA-N 1 3 293.371 -0.762 20 0 CBADHO C[C@@](Cn1cccn1)(NCC[C@H]1CC[NH2+]C1)C(N)=O ZINC000903829582 584901174 /nfs/dbraw/zinc/90/11/74/584901174.db2.gz HYVDHLHKLFFEFE-YPMHNXCESA-N 1 3 265.361 -0.284 20 0 CBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CCCO)C1 ZINC000970746393 617185431 /nfs/dbraw/zinc/18/54/31/617185431.db2.gz 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ZINC000970799469 615110663 /nfs/dbraw/zinc/11/06/63/615110663.db2.gz DSSSJUXUEHRUHE-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000969985909 615375000 /nfs/dbraw/zinc/37/50/00/615375000.db2.gz ODLZMICSSPVUSO-OLZOCXBDSA-N 1 3 294.403 -0.191 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000968904372 615537400 /nfs/dbraw/zinc/53/74/00/615537400.db2.gz QXWZDSXWUSRETF-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)N(C)C ZINC000971780470 615603577 /nfs/dbraw/zinc/60/35/77/615603577.db2.gz ZTVNOVHTVAJSBS-NWDGAFQWSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)N(C)C ZINC000971780470 615603578 /nfs/dbraw/zinc/60/35/78/615603578.db2.gz ZTVNOVHTVAJSBS-NWDGAFQWSA-N 1 3 257.378 -0.148 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000969595022 616192041 /nfs/dbraw/zinc/19/20/41/616192041.db2.gz JRZATZYEZZHPTA-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000982150672 616356942 /nfs/dbraw/zinc/35/69/42/616356942.db2.gz PLUKJKYCOWDOLS-ZDUSSCGKSA-N 1 3 281.400 -0.145 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000982150672 616356945 /nfs/dbraw/zinc/35/69/45/616356945.db2.gz PLUKJKYCOWDOLS-ZDUSSCGKSA-N 1 3 281.400 -0.145 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1CC[NH3+] ZINC000923674205 658394589 /nfs/dbraw/zinc/39/45/89/658394589.db2.gz OOMNWELWYCAGAI-GHMZBOCLSA-N 1 3 276.406 -0.947 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)O[C@H]1CNOC1 ZINC000923201087 658169619 /nfs/dbraw/zinc/16/96/19/658169619.db2.gz JMOUJBXKGJLMJZ-RYUDHWBXSA-N 1 3 288.392 -0.112 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)O[C@H]1CNOC1 ZINC000923201087 658169630 /nfs/dbraw/zinc/16/96/30/658169630.db2.gz JMOUJBXKGJLMJZ-RYUDHWBXSA-N 1 3 288.392 -0.112 20 0 CBADHO CC[C@H](O)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378254 658247268 /nfs/dbraw/zinc/24/72/68/658247268.db2.gz TVHSRMOIEJOWSL-IHRRRGAJSA-N 1 3 296.415 -0.023 20 0 CBADHO COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923487223 658304194 /nfs/dbraw/zinc/30/41/94/658304194.db2.gz BCYDHZMWPPVDIR-WDEREUQCSA-N 1 3 286.376 -0.482 20 0 CBADHO [NH3+]CCc1ccc(CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923565333 658328923 /nfs/dbraw/zinc/32/89/23/658328923.db2.gz HDBYIKOSGCDNRY-UHFFFAOYSA-N 1 3 298.412 -0.573 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923572761 658334417 /nfs/dbraw/zinc/33/44/17/658334417.db2.gz LGTUTPINDDNLCW-WDEREUQCSA-N 1 3 276.406 -0.804 20 0 CBADHO O=S(=O)(C1CNC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000923617888 658354555 /nfs/dbraw/zinc/35/45/55/658354555.db2.gz PZBIKBCRTPAHJH-NSHDSACASA-N 1 3 273.402 -0.294 20 0 CBADHO O=S(=O)(C1CNC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000923617886 658354870 /nfs/dbraw/zinc/35/48/70/658354870.db2.gz PZBIKBCRTPAHJH-LLVKDONJSA-N 1 3 273.402 -0.294 20 0 CBADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C1CNC1 ZINC000923622399 658358664 /nfs/dbraw/zinc/35/86/64/658358664.db2.gz XOWFGOBFVVEDFQ-MNOVXSKESA-N 1 3 273.402 -0.153 20 0 CBADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C1CNC1 ZINC000923622399 658358677 /nfs/dbraw/zinc/35/86/77/658358677.db2.gz XOWFGOBFVVEDFQ-MNOVXSKESA-N 1 3 273.402 -0.153 20 0 CBADHO C[C@H](CCCC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923640780 658371431 /nfs/dbraw/zinc/37/14/31/658371431.db2.gz MPLBOBDRSMTGFL-SNVBAGLBSA-N 1 3 264.395 -0.757 20 0 CBADHO CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923655709 658381633 /nfs/dbraw/zinc/38/16/33/658381633.db2.gz MLRCYKCUKHCZCF-SNVBAGLBSA-N 1 3 261.391 -0.248 20 0 CBADHO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CNC1 ZINC000923665441 658387155 /nfs/dbraw/zinc/38/71/55/658387155.db2.gz DOXPQJFFNLERJW-ILWJIGKKSA-N 1 3 259.375 -0.592 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@H]21 ZINC000923665123 658387741 /nfs/dbraw/zinc/38/77/41/658387741.db2.gz BUOKGLLELMQOSY-VXGBXAGGSA-N 1 3 288.417 -0.838 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@H]21 ZINC000923665123 658387753 /nfs/dbraw/zinc/38/77/53/658387753.db2.gz BUOKGLLELMQOSY-VXGBXAGGSA-N 1 3 288.417 -0.838 20 0 CBADHO COC(=O)c1cn(CCN[C@H]2C[C@H]([NH3+])C23CCC3)nn1 ZINC000925667357 658864641 /nfs/dbraw/zinc/86/46/41/658864641.db2.gz QNHMYPAKPYFNEX-QWRGUYRKSA-N 1 3 279.344 -0.076 20 0 CBADHO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H]1CCCCN1 ZINC000925788002 658871786 /nfs/dbraw/zinc/87/17/86/658871786.db2.gz FGXWARPAEWGDJS-YNEHKIRRSA-N 1 3 289.445 -0.117 20 0 CBADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788394 658872217 /nfs/dbraw/zinc/87/22/17/658872217.db2.gz IFYWKJJFLGTVKR-AVGNSLFASA-N 1 3 289.445 -0.130 20 0 CBADHO CCCN1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040860457 656006237 /nfs/dbraw/zinc/00/62/37/656006237.db2.gz YKVBHPZDPLSKEW-UHFFFAOYSA-N 1 3 290.433 -0.400 20 0 CBADHO COCCNC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000066246630 656036380 /nfs/dbraw/zinc/03/63/80/656036380.db2.gz JORNZZASDCAXFO-GFCCVEGCSA-N 1 3 299.419 -0.520 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000068890080 656038468 /nfs/dbraw/zinc/03/84/68/656038468.db2.gz AIJARCWTQUZDEO-IUCAKERBSA-N 1 3 283.294 -0.304 20 0 CBADHO CCNC(=O)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070171073 656039653 /nfs/dbraw/zinc/03/96/53/656039653.db2.gz QVSKHJVRYFKSDT-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668490 656058824 /nfs/dbraw/zinc/05/88/24/656058824.db2.gz JYVIMTXHBCVCQM-UPJWGTAASA-N 1 3 283.372 -0.656 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091667900 656058979 /nfs/dbraw/zinc/05/89/79/656058979.db2.gz OJVFDJVHCRVYOU-OCCSQVGLSA-N 1 3 297.399 -0.266 20 0 CBADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000091668055 656059230 /nfs/dbraw/zinc/05/92/30/656059230.db2.gz YGXYLVYDNANMPE-AVGNSLFASA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[NH2+]C1CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668838 656059278 /nfs/dbraw/zinc/05/92/78/656059278.db2.gz YNUIWWWBAQKRCL-NEPJUHHUSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000091668348 656059289 /nfs/dbraw/zinc/05/92/89/656059289.db2.gz PZKHANZTGZKQJC-GRYCIOLGSA-N 1 3 253.346 -0.282 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC1=O ZINC000178555537 656089252 /nfs/dbraw/zinc/08/92/52/656089252.db2.gz GYFRXJZFLBUDGZ-NWDGAFQWSA-N 1 3 282.388 -0.796 20 0 CBADHO COCCNCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250180548 656122040 /nfs/dbraw/zinc/12/20/40/656122040.db2.gz VBKNHXZWDMCLJG-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCNCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250180548 656122042 /nfs/dbraw/zinc/12/20/42/656122042.db2.gz VBKNHXZWDMCLJG-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252600330 656122934 /nfs/dbraw/zinc/12/29/34/656122934.db2.gz LMIDITYHLLQYSN-RVMXOQNASA-N 1 3 267.373 -0.036 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252552054 656122977 /nfs/dbraw/zinc/12/29/77/656122977.db2.gz PZKHANZTGZKQJC-QJPTWQEYSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@]1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000252539986 656123433 /nfs/dbraw/zinc/12/34/33/656123433.db2.gz CBQORJXYPGISQS-OBJOEFQTSA-N 1 3 267.373 -0.035 20 0 CBADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252554297 656123400 /nfs/dbraw/zinc/12/34/00/656123400.db2.gz ROVZDHFQGUTCGL-NWDGAFQWSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262041245 656128781 /nfs/dbraw/zinc/12/87/81/656128781.db2.gz HQDHMZXNPGVPQU-LOWVWBTDSA-N 1 3 284.404 -0.280 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702427200 656181314 /nfs/dbraw/zinc/18/13/14/656181314.db2.gz FHEWPSFFLIYPNF-NEPJUHHUSA-N 1 3 256.394 -0.182 20 0 CBADHO CC(C)C[C@H](CNC(=O)[C@@H](N)CN(C)C)[NH+](C)C ZINC000702431432 656181513 /nfs/dbraw/zinc/18/15/13/656181513.db2.gz TVKNSXJQUNWOMW-NEPJUHHUSA-N 1 3 258.410 -0.032 20 0 CBADHO CS(=O)(=O)N[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702951265 656182591 /nfs/dbraw/zinc/18/25/91/656182591.db2.gz BATYYCMSZAVHOJ-OUAUKWLOSA-N 1 3 261.391 -0.263 20 0 CBADHO CN1CCN(C(=O)c2cn(CC[NH3+])nn2)CCC1(C)C ZINC000712691085 656211111 /nfs/dbraw/zinc/21/11/11/656211111.db2.gz RPMBOFWNJJVFOH-UHFFFAOYSA-N 1 3 280.376 -0.207 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1(F)F ZINC000715094851 656218833 /nfs/dbraw/zinc/21/88/33/656218833.db2.gz PFLNIGNLIJXKGM-LNFKQOIKSA-N 1 3 289.326 -0.194 20 0 CBADHO CC(C)[N@H+](C)CCNC(=O)c1c(CN)cnn1C ZINC000719258317 656234897 /nfs/dbraw/zinc/23/48/97/656234897.db2.gz YEDVWOHTNWAWPD-UHFFFAOYSA-N 1 3 253.350 -0.051 20 0 CBADHO CC(C)[N@@H+](C)CCNC(=O)c1c(CN)cnn1C ZINC000719258317 656234903 /nfs/dbraw/zinc/23/49/03/656234903.db2.gz YEDVWOHTNWAWPD-UHFFFAOYSA-N 1 3 253.350 -0.051 20 0 CBADHO C[C@@H](CCNC(=O)c1c(CN)cnn1C)[NH+](C)C ZINC000719265798 656235165 /nfs/dbraw/zinc/23/51/65/656235165.db2.gz PBSXSBTWSTXGPN-VIFPVBQESA-N 1 3 253.350 -0.051 20 0 CBADHO Cc1nccn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900813479 656312650 /nfs/dbraw/zinc/31/26/50/656312650.db2.gz ZLLBAKPEMDAIKD-YPMHNXCESA-N 1 3 279.388 -0.058 20 0 CBADHO Cc1nccn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900813479 656312652 /nfs/dbraw/zinc/31/26/52/656312652.db2.gz ZLLBAKPEMDAIKD-YPMHNXCESA-N 1 3 279.388 -0.058 20 0 CBADHO C[C@@H]1C[C@@H](CN2CCN3[C@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433923 656327618 /nfs/dbraw/zinc/32/76/18/656327618.db2.gz QWNTYEZOHNTVMV-GRYCIOLGSA-N 1 3 288.417 -0.791 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904972555 656331525 /nfs/dbraw/zinc/33/15/25/656331525.db2.gz LNIFAGJNQNZCQC-WFASDCNBSA-N 1 3 296.415 -0.264 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905016351 656334127 /nfs/dbraw/zinc/33/41/27/656334127.db2.gz ZLVBZBRQOSUKJX-CQSZACIVSA-N 1 3 282.388 -0.639 20 0 CBADHO COCC[N@H+](C)CCCNC[C@H](O)C1(O)CCC1 ZINC000905036307 656335790 /nfs/dbraw/zinc/33/57/90/656335790.db2.gz QYQSQBYWJJKUGV-LBPRGKRZSA-N 1 3 260.378 -0.180 20 0 CBADHO COCC[N@@H+](C)CCCNC[C@H](O)C1(O)CCC1 ZINC000905036307 656335793 /nfs/dbraw/zinc/33/57/93/656335793.db2.gz QYQSQBYWJJKUGV-LBPRGKRZSA-N 1 3 260.378 -0.180 20 0 CBADHO O[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)CN1CCCC1 ZINC000905344596 656351151 /nfs/dbraw/zinc/35/11/51/656351151.db2.gz KHDGRHYWYJRUGL-VXGBXAGGSA-N 1 3 258.362 -0.691 20 0 CBADHO C[NH+](C)C[C@@H](O)CNC[C@H](O)CC1(CO)CCCC1 ZINC000905345532 656351519 /nfs/dbraw/zinc/35/15/19/656351519.db2.gz NLSQVERHYSUXKD-OLZOCXBDSA-N 1 3 274.405 -0.198 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000905494591 656360291 /nfs/dbraw/zinc/36/02/91/656360291.db2.gz YPXPUKVHZDQWTJ-YUSALJHKSA-N 1 3 256.346 -0.160 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905494591 656360293 /nfs/dbraw/zinc/36/02/93/656360293.db2.gz YPXPUKVHZDQWTJ-YUSALJHKSA-N 1 3 256.346 -0.160 20 0 CBADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996300193 656407078 /nfs/dbraw/zinc/40/70/78/656407078.db2.gz KDLDJBBHLFQFHG-RYUDHWBXSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517077 656417646 /nfs/dbraw/zinc/41/76/46/656417646.db2.gz DEFOMPVJKWXMER-NEPJUHHUSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517077 656417649 /nfs/dbraw/zinc/41/76/49/656417649.db2.gz DEFOMPVJKWXMER-NEPJUHHUSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614398 656446730 /nfs/dbraw/zinc/44/67/30/656446730.db2.gz NCBVPEOCHISPKC-MNOVXSKESA-N 1 3 282.388 -0.750 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614398 656446733 /nfs/dbraw/zinc/44/67/33/656446733.db2.gz NCBVPEOCHISPKC-MNOVXSKESA-N 1 3 282.388 -0.750 20 0 CBADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619010 656447020 /nfs/dbraw/zinc/44/70/20/656447020.db2.gz JCUPSFNNIBPOKO-KGLIPLIRSA-N 1 3 297.399 -0.578 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)C1CC1 ZINC000996680721 656452196 /nfs/dbraw/zinc/45/21/96/656452196.db2.gz UOSNBNJKNCYEMO-CYBMUJFWSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997042571 656464424 /nfs/dbraw/zinc/46/44/24/656464424.db2.gz RATYKKQIJCTGEO-JTQLQIEISA-N 1 3 266.345 -0.086 20 0 CBADHO CN(C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000907389614 656499985 /nfs/dbraw/zinc/49/99/85/656499985.db2.gz RSYDEHJAGKGNIF-CQSZACIVSA-N 1 3 295.387 -0.759 20 0 CBADHO CN(C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000907389614 656499991 /nfs/dbraw/zinc/49/99/91/656499991.db2.gz RSYDEHJAGKGNIF-CQSZACIVSA-N 1 3 295.387 -0.759 20 0 CBADHO CN1CC2(C1)CCN(C(=O)C1CN(C)CC[N@H+](C)C1)C2 ZINC000907762585 656572189 /nfs/dbraw/zinc/57/21/89/656572189.db2.gz GVMRGTBKZXSBSU-UHFFFAOYSA-N 1 3 280.416 -0.356 20 0 CBADHO CN1CC2(C1)CCN(C(=O)C1CN(C)CC[N@@H+](C)C1)C2 ZINC000907762585 656572197 /nfs/dbraw/zinc/57/21/97/656572197.db2.gz GVMRGTBKZXSBSU-UHFFFAOYSA-N 1 3 280.416 -0.356 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998724016 656572587 /nfs/dbraw/zinc/57/25/87/656572587.db2.gz UAOCSDXPIWJZLT-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999146467 656612949 /nfs/dbraw/zinc/61/29/49/656612949.db2.gz WJGGGTFIWSTEDC-QWHCGFSZSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999146467 656612952 /nfs/dbraw/zinc/61/29/52/656612952.db2.gz WJGGGTFIWSTEDC-QWHCGFSZSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000999374758 656626149 /nfs/dbraw/zinc/62/61/49/656626149.db2.gz RYQIAVVEORKDSI-QWHCGFSZSA-N 1 3 269.389 -0.101 20 0 CBADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999403052 656628094 /nfs/dbraw/zinc/62/80/94/656628094.db2.gz MHOHIUGVRCJWPP-UHFFFAOYSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999404449 656628360 /nfs/dbraw/zinc/62/83/60/656628360.db2.gz WROLMDSUMVKQAB-UNXYVOJBSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000198854 656702811 /nfs/dbraw/zinc/70/28/11/656702811.db2.gz LMPNWRUUTBKYSX-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)N(C)C ZINC001000224020 656704034 /nfs/dbraw/zinc/70/40/34/656704034.db2.gz HFPKIEYKGWMCDI-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000687713 656759155 /nfs/dbraw/zinc/75/91/55/656759155.db2.gz HMPKOMLQPDHLNQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000687713 656759158 /nfs/dbraw/zinc/75/91/58/656759158.db2.gz HMPKOMLQPDHLNQ-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001000937184 656777411 /nfs/dbraw/zinc/77/74/11/656777411.db2.gz SKZXPVJZVXXISL-NSHDSACASA-N 1 3 268.361 -0.852 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001151137 656801249 /nfs/dbraw/zinc/80/12/49/656801249.db2.gz LCWZJFCRQMWWHM-TZMCWYRMSA-N 1 3 281.400 -0.075 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001151137 656801251 /nfs/dbraw/zinc/80/12/51/656801251.db2.gz LCWZJFCRQMWWHM-TZMCWYRMSA-N 1 3 281.400 -0.075 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000911061421 656938300 /nfs/dbraw/zinc/93/83/00/656938300.db2.gz REZZJYXUWMWFQF-ABAIWWIYSA-N 1 3 294.399 -0.463 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(CCO)CC1 ZINC001006300064 656942414 /nfs/dbraw/zinc/94/24/14/656942414.db2.gz QXHYFZONEDXIJH-UHFFFAOYSA-N 1 3 281.400 -0.003 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCO)CC1 ZINC001006401367 656946120 /nfs/dbraw/zinc/94/61/20/656946120.db2.gz 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ZINC001019044809 657859917 /nfs/dbraw/zinc/85/99/17/657859917.db2.gz ZDMSREYFUUCWSS-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019241578 657876008 /nfs/dbraw/zinc/87/60/08/657876008.db2.gz KVAPRZWVTHZNEK-SDDRHHMPSA-N 1 3 280.372 -0.840 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001019774857 657939476 /nfs/dbraw/zinc/93/94/76/657939476.db2.gz LHZNRTFRYKGYSU-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774968 657939557 /nfs/dbraw/zinc/93/95/57/657939557.db2.gz PPQUMLCZJOTTDX-QWHCGFSZSA-N 1 3 294.399 -0.497 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812450 657946280 /nfs/dbraw/zinc/94/62/80/657946280.db2.gz PTBUVYAGIXLHSN-LBPRGKRZSA-N 1 3 282.388 -0.462 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000922161169 658010494 /nfs/dbraw/zinc/01/04/94/658010494.db2.gz UFHFQDHOFRYGHK-MDZLAQPJSA-N 1 3 255.362 -0.348 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000922161169 658010508 /nfs/dbraw/zinc/01/05/08/658010508.db2.gz UFHFQDHOFRYGHK-MDZLAQPJSA-N 1 3 255.362 -0.348 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000922161170 658010974 /nfs/dbraw/zinc/01/09/74/658010974.db2.gz UFHFQDHOFRYGHK-NQBHXWOUSA-N 1 3 255.362 -0.348 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000922161170 658010983 /nfs/dbraw/zinc/01/09/83/658010983.db2.gz UFHFQDHOFRYGHK-NQBHXWOUSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)C(N)=O ZINC001020586406 658075158 /nfs/dbraw/zinc/07/51/58/658075158.db2.gz NNWHXSVFUYXVPQ-DDHJBXDOSA-N 1 3 282.388 -0.419 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)C(N)=O ZINC001020586405 658075951 /nfs/dbraw/zinc/07/59/51/658075951.db2.gz NNWHXSVFUYXVPQ-BJDJZHNGSA-N 1 3 282.388 -0.419 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020586790 658076446 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CBADHO CCOC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413162 658269221 /nfs/dbraw/zinc/26/92/21/658269221.db2.gz DVOSFYXTXAXWDU-LPWJVIDDSA-N 1 3 299.371 -0.749 20 0 CBADHO COC(=O)N[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923428969 658274305 /nfs/dbraw/zinc/27/43/05/658274305.db2.gz UXPNXABLDZEFEL-QWRGUYRKSA-N 1 3 269.345 -0.205 20 0 CBADHO CN1CC(=O)N(CC[NH2+][C@H]2C[C@@H](N)C2(C)C)C1=O ZINC000923423044 658274385 /nfs/dbraw/zinc/27/43/85/658274385.db2.gz UVICJEKGIFXQBQ-BDAKNGLRSA-N 1 3 254.334 -0.404 20 0 CBADHO COC[C@H](C)OC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515831 658310157 /nfs/dbraw/zinc/31/01/57/658310157.db2.gz NZXJDVSKTGEGLA-FQUUOJAGSA-N 1 3 272.389 -0.060 20 0 CBADHO COC[C@@H](C)OC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515834 658310885 /nfs/dbraw/zinc/31/08/85/658310885.db2.gz NZXJDVSKTGEGLA-XJFOESAGSA-N 1 3 272.389 -0.060 20 0 CBADHO COC(=O)CCNC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500593 658311222 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C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@H]1C[NH3+] ZINC000923573798 658336971 /nfs/dbraw/zinc/33/69/71/658336971.db2.gz RQTXLLUIDGXRJS-MNOVXSKESA-N 1 3 276.406 -0.804 20 0 CBADHO C[NH+](C)CC1CCC(NS(=O)(=O)C2CNC2)CC1 ZINC000923630165 658362986 /nfs/dbraw/zinc/36/29/86/658362986.db2.gz SXFBWQNCOMTLGT-UHFFFAOYSA-N 1 3 275.418 -0.002 20 0 CBADHO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923634864 658365692 /nfs/dbraw/zinc/36/56/92/658365692.db2.gz GUXAQNVXIIAYOD-NEPJUHHUSA-N 1 3 290.433 -0.366 20 0 CBADHO C[NH2+]CCC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923635752 658366608 /nfs/dbraw/zinc/36/66/08/658366608.db2.gz GCGIOXYDCXSRHG-UHFFFAOYSA-N 1 3 290.433 -0.542 20 0 CBADHO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)N1CCNCC1 ZINC000923645637 658374001 /nfs/dbraw/zinc/37/40/01/658374001.db2.gz NAJLUKJOKNYJOM-LLVKDONJSA-N 1 3 276.406 -0.742 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923645958 658374333 /nfs/dbraw/zinc/37/43/33/658374333.db2.gz QEERPDUEZITKJT-RYUDHWBXSA-N 1 3 287.429 0.000 20 0 CBADHO C[C@@H]1C[C@H](C)N(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923649217 658377042 /nfs/dbraw/zinc/37/70/42/658377042.db2.gz NHRKLUIXQDGENU-GRYCIOLGSA-N 1 3 290.433 -0.558 20 0 CBADHO N[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000923659367 658385747 /nfs/dbraw/zinc/38/57/47/658385747.db2.gz NJFPMGAGQWIYGD-OPRDCNLKSA-N 1 3 265.354 -0.561 20 0 CBADHO [NH3+]CC1(NS(=O)(=O)N2CCNCC2)CCCCC1 ZINC000923668713 658390096 /nfs/dbraw/zinc/39/00/96/658390096.db2.gz YNECZJGYUVPTIE-UHFFFAOYSA-N 1 3 276.406 -0.612 20 0 CBADHO C[C@H](NS(=O)(=O)N1CCNCC1)C1CC[NH2+]CC1 ZINC000923668424 658390995 /nfs/dbraw/zinc/39/09/95/658390995.db2.gz GEBTXWWSTYYMHM-JTQLQIEISA-N 1 3 276.406 -0.886 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923693961 658400871 /nfs/dbraw/zinc/40/08/71/658400871.db2.gz CKRLHFSCDCMEMT-NSHDSACASA-N 1 3 279.406 -0.947 20 0 CBADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1C[NH3+] ZINC000923704366 658404968 /nfs/dbraw/zinc/40/49/68/658404968.db2.gz RXGRQXODFXOJEF-WDEREUQCSA-N 1 3 276.406 -0.947 20 0 CBADHO O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214927 658592412 /nfs/dbraw/zinc/59/24/12/658592412.db2.gz OSSVGURRCJMOGM-OLZOCXBDSA-N 1 3 297.399 -0.984 20 0 CBADHO C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[N@H+](C)C1CC1 ZINC000924582186 658614243 /nfs/dbraw/zinc/61/42/43/658614243.db2.gz JBUVLFYQRNHPEN-GXSJLCMTSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[N@@H+](C)C1CC1 ZINC000924582186 658614263 /nfs/dbraw/zinc/61/42/63/658614263.db2.gz JBUVLFYQRNHPEN-GXSJLCMTSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)CC[N@@H+]1C ZINC000924628513 658624661 /nfs/dbraw/zinc/62/46/61/658624661.db2.gz JPCFTXMBLWUVCS-VWYCJHECSA-N 1 3 268.361 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)CC[N@H+]1C ZINC000924628513 658624670 /nfs/dbraw/zinc/62/46/70/658624670.db2.gz JPCFTXMBLWUVCS-VWYCJHECSA-N 1 3 268.361 -0.049 20 0 CBADHO CN1C[C@@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990496 658703179 /nfs/dbraw/zinc/70/31/79/658703179.db2.gz GVTKARSVFGUOBK-OBJOEFQTSA-N 1 3 285.388 -0.986 20 0 CBADHO CN1C[C@@H](O)C[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990496 658703191 /nfs/dbraw/zinc/70/31/91/658703191.db2.gz GVTKARSVFGUOBK-OBJOEFQTSA-N 1 3 285.388 -0.986 20 0 CBADHO C[C@H]1[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341778 658831702 /nfs/dbraw/zinc/83/17/02/658831702.db2.gz JPFLLQRZCGKEOZ-WUHRBBMRSA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@H]1[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341778 658831705 /nfs/dbraw/zinc/83/17/05/658831705.db2.gz JPFLLQRZCGKEOZ-WUHRBBMRSA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@H]1[C@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346772 658832488 /nfs/dbraw/zinc/83/24/88/658832488.db2.gz VTQBGVDFIAZQQN-SDDRHHMPSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@H]1[C@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346772 658832493 /nfs/dbraw/zinc/83/24/93/658832493.db2.gz VTQBGVDFIAZQQN-SDDRHHMPSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961773569 658833706 /nfs/dbraw/zinc/83/37/06/658833706.db2.gz PCJYTIFQTNZGNP-CXTNEJHOSA-N 1 3 281.400 -0.101 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961773569 658833707 /nfs/dbraw/zinc/83/37/07/658833707.db2.gz PCJYTIFQTNZGNP-CXTNEJHOSA-N 1 3 281.400 -0.101 20 0 CBADHO CN1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925408050 658839527 /nfs/dbraw/zinc/83/95/27/658839527.db2.gz NXXDHTFCCVREIX-MCIONIFRSA-N 1 3 296.415 -0.069 20 0 CBADHO COCCN1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925477740 658855885 /nfs/dbraw/zinc/85/58/85/658855885.db2.gz LTEGOIMFODSLIJ-STQMWFEESA-N 1 3 257.378 -0.325 20 0 CBADHO C[C@H]1NCCC[C@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000925492337 658856977 /nfs/dbraw/zinc/85/69/77/658856977.db2.gz SRVYXUCTLYIXSJ-CHWSQXEVSA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@@H](CN[C@H]1C[NH2+]CCOC1)CN1CCOCC1 ZINC000925508979 658857025 /nfs/dbraw/zinc/85/70/25/658857025.db2.gz KSJRMZPAPFLMEP-STQMWFEESA-N 1 3 257.378 -0.467 20 0 CBADHO CN(C)C(=O)CN1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925568523 658859923 /nfs/dbraw/zinc/85/99/23/658859923.db2.gz VUYBGPBKFQJYCT-ZDUSSCGKSA-N 1 3 284.404 -0.883 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000925715223 658867185 /nfs/dbraw/zinc/86/71/85/658867185.db2.gz AYXRANZOMUSCGA-PSASIEDQSA-N 1 3 251.334 -0.129 20 0 CBADHO N[C@@H]1C[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727980 658869188 /nfs/dbraw/zinc/86/91/88/658869188.db2.gz RRYLOMWXDUHHJN-MBNYWOFBSA-N 1 3 295.383 -0.526 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926293413 658890083 /nfs/dbraw/zinc/89/00/83/658890083.db2.gz MDUQQZOIVPFFEK-OAHLLOKOSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926293475 658890182 /nfs/dbraw/zinc/89/01/82/658890182.db2.gz NLZMEZLNPOZTSG-LLVKDONJSA-N 1 3 270.377 -0.796 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926295080 658890754 /nfs/dbraw/zinc/89/07/54/658890754.db2.gz YOBHYPCNJNFGPN-VXGBXAGGSA-N 1 3 284.404 -0.550 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1[NH3+] ZINC000926327754 658892697 /nfs/dbraw/zinc/89/26/97/658892697.db2.gz ZJUQOOHZFRCTEJ-JHJVBQTASA-N 1 3 294.399 -0.511 20 0 CBADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000926335102 658893379 /nfs/dbraw/zinc/89/33/79/658893379.db2.gz PVSWWGCJFRTEQX-OLZOCXBDSA-N 1 3 294.399 -0.510 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000968922344 658944760 /nfs/dbraw/zinc/94/47/60/658944760.db2.gz YKEVJMFWOZWUTC-GHMZBOCLSA-N 1 3 282.388 -0.465 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969066291 658952454 /nfs/dbraw/zinc/95/24/54/658952454.db2.gz QHCGYMQEPRQSBO-GFCCVEGCSA-N 1 3 294.399 -0.462 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)C(N)=O ZINC000969627009 659009353 /nfs/dbraw/zinc/00/93/53/659009353.db2.gz MDACAZGGPPBLMV-UTUOFQBUSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969814128 659020200 /nfs/dbraw/zinc/02/02/00/659020200.db2.gz ISECFXUIYHYAEU-CMPLNLGQSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969956493 659024962 /nfs/dbraw/zinc/02/49/62/659024962.db2.gz XDYBAMQRSBJMQL-VXGBXAGGSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970103981 659034124 /nfs/dbraw/zinc/03/41/24/659034124.db2.gz WOLMSPXKUPVWDA-VHSXEESVSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970489876 659060165 /nfs/dbraw/zinc/06/01/65/659060165.db2.gz HQNCMHWALFYHFK-GHMZBOCLSA-N 1 3 280.372 -0.854 20 0 CBADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC000970712319 659067854 /nfs/dbraw/zinc/06/78/54/659067854.db2.gz MFVFTVGYIQZDAF-NWDGAFQWSA-N 1 3 292.387 -0.245 20 0 CBADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC000970712319 659067859 /nfs/dbraw/zinc/06/78/59/659067859.db2.gz MFVFTVGYIQZDAF-NWDGAFQWSA-N 1 3 292.387 -0.245 20 0 CBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)N1CCC1 ZINC000970719863 659069189 /nfs/dbraw/zinc/06/91/89/659069189.db2.gz MELKBZOOYMODPD-CYBMUJFWSA-N 1 3 294.399 -0.495 20 0 CBADHO C[C@H](O)[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930136964 659217284 /nfs/dbraw/zinc/21/72/84/659217284.db2.gz PXFASIQTHJUFAS-ZQDZILKHSA-N 1 3 285.432 -0.314 20 0 CBADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333115 659380807 /nfs/dbraw/zinc/38/08/07/659380807.db2.gz XRQRAZPYGFDRCC-DGCLKSJQSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333115 659380819 /nfs/dbraw/zinc/38/08/19/659380819.db2.gz XRQRAZPYGFDRCC-DGCLKSJQSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(N)=O)CC2)C1 ZINC000985653188 659395600 /nfs/dbraw/zinc/39/56/00/659395600.db2.gz JCUBWGCYRMQFRR-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)CC(N)=O)CC2)C1 ZINC000985653188 659395609 /nfs/dbraw/zinc/39/56/09/659395609.db2.gz JCUBWGCYRMQFRR-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H](O)[C@@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286602 659428406 /nfs/dbraw/zinc/42/84/06/659428406.db2.gz VENNWTDNHWMKCJ-JSGCOSHPSA-N 1 3 272.389 -0.085 20 0 CBADHO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986352339 659447505 /nfs/dbraw/zinc/44/75/05/659447505.db2.gz GKTQQMBSSUWIHX-CMPLNLGQSA-N 1 3 282.388 -0.465 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000989665277 659606715 /nfs/dbraw/zinc/60/67/15/659606715.db2.gz CUOWYKIQTZURMD-CYBMUJFWSA-N 1 3 269.389 -0.145 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000989665277 659606720 /nfs/dbraw/zinc/60/67/20/659606720.db2.gz CUOWYKIQTZURMD-CYBMUJFWSA-N 1 3 269.389 -0.145 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CN1CCCC1 ZINC000989798841 659615664 /nfs/dbraw/zinc/61/56/64/659615664.db2.gz GQBCWFTWVQGIDY-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CN1CCCC1 ZINC000989796663 659615745 /nfs/dbraw/zinc/61/57/45/659615745.db2.gz PCXKAQPIYKPMID-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829707 659616841 /nfs/dbraw/zinc/61/68/41/659616841.db2.gz VGSWWFXJDQEHCO-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000990275945 659711060 /nfs/dbraw/zinc/71/10/60/659711060.db2.gz FNYUMRKERIDVJK-QWHCGFSZSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990276319 659711128 /nfs/dbraw/zinc/71/11/28/659711128.db2.gz GYUMYSKJVDRYJN-LBPRGKRZSA-N 1 3 255.362 -0.347 20 0 CBADHO CN1CCN(C)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000933998572 659756720 /nfs/dbraw/zinc/75/67/20/659756720.db2.gz JXVFXNCYBHFMLL-OAHLLOKOSA-N 1 3 284.448 -0.378 20 0 CBADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000991708334 659841544 /nfs/dbraw/zinc/84/15/44/659841544.db2.gz FKTBXKVVSDLFHE-YPMHNXCESA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000991708334 659841546 /nfs/dbraw/zinc/84/15/46/659841546.db2.gz FKTBXKVVSDLFHE-YPMHNXCESA-N 1 3 296.415 -0.395 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991710299 659841559 /nfs/dbraw/zinc/84/15/59/659841559.db2.gz MNGJDSXYCDLZFU-AAEUAGOBSA-N 1 3 294.399 -0.641 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991710299 659841560 /nfs/dbraw/zinc/84/15/60/659841560.db2.gz MNGJDSXYCDLZFU-AAEUAGOBSA-N 1 3 294.399 -0.641 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000995836034 659910293 /nfs/dbraw/zinc/91/02/93/659910293.db2.gz YZIYJIGRAKDACN-UTUOFQBUSA-N 1 3 296.415 -0.362 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995836034 659910292 /nfs/dbraw/zinc/91/02/92/659910292.db2.gz YZIYJIGRAKDACN-UTUOFQBUSA-N 1 3 296.415 -0.362 20 0 CBADHO [NH3+]C[C@@H]1CCCCN(C[C@H](O)CN2CCOCC2)C1 ZINC000382181657 790523108 /nfs/dbraw/zinc/52/31/08/790523108.db2.gz UCOLQCYBYNPGSS-UONOGXRCSA-N 1 3 271.405 -0.260 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690669414 790672061 /nfs/dbraw/zinc/67/20/61/790672061.db2.gz UAJPZOBQTNDGPI-SDDRHHMPSA-N 1 3 275.418 -0.002 20 0 CBADHO CNC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000705788670 790726793 /nfs/dbraw/zinc/72/67/93/790726793.db2.gz PIFRZHNKNVMPNX-HNNXBMFYSA-N 1 3 277.368 -0.041 20 0 CBADHO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000720514012 790766034 /nfs/dbraw/zinc/76/60/34/790766034.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000720514012 790766050 /nfs/dbraw/zinc/76/60/50/790766050.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720896740 790772599 /nfs/dbraw/zinc/77/25/99/790772599.db2.gz DJTAGSOKGNHCDT-NNYUYHANSA-N 1 3 253.346 -0.202 20 0 CBADHO CCCNC(=O)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000723672139 790802207 /nfs/dbraw/zinc/80/22/07/790802207.db2.gz JNPKLYRVFBVJLK-SNVBAGLBSA-N 1 3 256.350 -0.107 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724575821 790808390 /nfs/dbraw/zinc/80/83/90/790808390.db2.gz CRROBYUNIWRMEE-HZSPNIEDSA-N 1 3 269.389 -0.373 20 0 CBADHO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001021895241 790965607 /nfs/dbraw/zinc/96/56/07/790965607.db2.gz JOBLXINGKZYVOS-LOWVWBTDSA-N 1 3 292.387 -0.354 20 0 CBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001022119757 790991276 /nfs/dbraw/zinc/99/12/76/790991276.db2.gz HQMVDZHXBSNZFF-YVECIDJPSA-N 1 3 283.372 -0.921 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)C(N)=O ZINC001022712255 791041472 /nfs/dbraw/zinc/04/14/72/791041472.db2.gz NNWHXSVFUYXVPQ-WHOHXGKFSA-N 1 3 282.388 -0.419 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077024498 805674248 /nfs/dbraw/zinc/67/42/48/805674248.db2.gz AEMCODHOWBZWSY-FDYHWXHSSA-N 1 3 269.389 -0.102 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077024498 805674255 /nfs/dbraw/zinc/67/42/55/805674255.db2.gz AEMCODHOWBZWSY-FDYHWXHSSA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886325 814924679 /nfs/dbraw/zinc/92/46/79/814924679.db2.gz UIQJVRIOJGYVRI-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886325 814924684 /nfs/dbraw/zinc/92/46/84/814924684.db2.gz UIQJVRIOJGYVRI-CYBMUJFWSA-N 1 3 298.431 -0.194 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 ZINC001077618238 805755775 /nfs/dbraw/zinc/75/57/75/805755775.db2.gz CLZYNYNUYNXIAO-ZIAGYGMSSA-N 1 3 281.400 -0.101 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001078229307 805861069 /nfs/dbraw/zinc/86/10/69/805861069.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001078229307 805861078 /nfs/dbraw/zinc/86/10/78/805861078.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078229307 805861088 /nfs/dbraw/zinc/86/10/88/805861088.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078229307 805861097 /nfs/dbraw/zinc/86/10/97/805861097.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 1 3 299.415 -0.596 20 0 CBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)N1CCCC1 ZINC001147970210 814927418 /nfs/dbraw/zinc/92/74/18/814927418.db2.gz BONHOWXLBVNLBO-UHFFFAOYSA-N 1 3 294.399 -0.590 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147994543 814928080 /nfs/dbraw/zinc/92/80/80/814928080.db2.gz JASRUUAKWPUKSD-LLVKDONJSA-N 1 3 280.372 -0.981 20 0 CBADHO COCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082369967 806170536 /nfs/dbraw/zinc/17/05/36/806170536.db2.gz LYBWAFPMRUIBSG-CHWSQXEVSA-N 1 3 285.388 -0.456 20 0 CBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(N)=O ZINC001082741305 806193350 /nfs/dbraw/zinc/19/33/50/806193350.db2.gz WRCHTQJKZUXJDE-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082862087 806196542 /nfs/dbraw/zinc/19/65/42/806196542.db2.gz YDEFGDFZCQMPFH-IJLUTSLNSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082862087 806196546 /nfs/dbraw/zinc/19/65/46/806196546.db2.gz YDEFGDFZCQMPFH-IJLUTSLNSA-N 1 3 282.388 -0.750 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082943367 806198666 /nfs/dbraw/zinc/19/86/66/806198666.db2.gz GKAUTVIEXYBNRJ-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472177 806335781 /nfs/dbraw/zinc/33/57/81/806335781.db2.gz JZENJJJLFGOBMH-LPWJVIDDSA-N 1 3 269.389 -0.104 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472177 806335789 /nfs/dbraw/zinc/33/57/89/806335789.db2.gz JZENJJJLFGOBMH-LPWJVIDDSA-N 1 3 269.389 -0.104 20 0 CBADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084054151 806480868 /nfs/dbraw/zinc/48/08/68/806480868.db2.gz YLVXEMLSZOUZOZ-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084054151 806480871 /nfs/dbraw/zinc/48/08/71/806480871.db2.gz YLVXEMLSZOUZOZ-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084433 798879693 /nfs/dbraw/zinc/87/96/93/798879693.db2.gz OXUSBRVINFWDQI-SDDRHHMPSA-N 1 3 292.387 -0.496 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084433 798879700 /nfs/dbraw/zinc/87/97/00/798879700.db2.gz OXUSBRVINFWDQI-SDDRHHMPSA-N 1 3 292.387 -0.496 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084434 798879794 /nfs/dbraw/zinc/87/97/94/798879794.db2.gz OXUSBRVINFWDQI-UTUOFQBUSA-N 1 3 292.387 -0.496 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084434 798879798 /nfs/dbraw/zinc/87/97/98/798879798.db2.gz OXUSBRVINFWDQI-UTUOFQBUSA-N 1 3 292.387 -0.496 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023128669 798885313 /nfs/dbraw/zinc/88/53/13/798885313.db2.gz OBEZOPXPIHQYGN-FVCCEPFGSA-N 1 3 296.415 -0.029 20 0 CBADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799044 798976657 /nfs/dbraw/zinc/97/66/57/798976657.db2.gz QLHFHQFOPFVXOK-ODXJTPSBSA-N 1 3 279.384 -0.084 20 0 CBADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799044 798976660 /nfs/dbraw/zinc/97/66/60/798976660.db2.gz QLHFHQFOPFVXOK-ODXJTPSBSA-N 1 3 279.384 -0.084 20 0 CBADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040910 798987885 /nfs/dbraw/zinc/98/78/85/798987885.db2.gz ZGTPSHQKUONGTE-GGAZOKNXSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040910 798987886 /nfs/dbraw/zinc/98/78/86/798987886.db2.gz ZGTPSHQKUONGTE-GGAZOKNXSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026561314 799009720 /nfs/dbraw/zinc/00/97/20/799009720.db2.gz VOCYYHSOGQOHFW-PNESKVBLSA-N 1 3 296.415 -0.170 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027218083 799033401 /nfs/dbraw/zinc/03/34/01/799033401.db2.gz XJHDMYMKTMFJMO-QWHCGFSZSA-N 1 3 294.399 -0.591 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675866 799531970 /nfs/dbraw/zinc/53/19/70/799531970.db2.gz UQTWRYICDXQRPP-SMDDNHRTSA-N 1 3 281.400 -0.243 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031977170 799568540 /nfs/dbraw/zinc/56/85/40/799568540.db2.gz XSYBWLUACGOJAI-WCQYABFASA-N 1 3 269.389 -0.386 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031977170 799568544 /nfs/dbraw/zinc/56/85/44/799568544.db2.gz XSYBWLUACGOJAI-WCQYABFASA-N 1 3 269.389 -0.386 20 0 CBADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCO)C1 ZINC001033083123 799716210 /nfs/dbraw/zinc/71/62/10/799716210.db2.gz VUAOCKAVBKKHAM-ZIAGYGMSSA-N 1 3 281.400 -0.147 20 0 CBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035126242 799870101 /nfs/dbraw/zinc/87/01/01/799870101.db2.gz WBETXARWMODFDP-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037933014 800025214 /nfs/dbraw/zinc/02/52/14/800025214.db2.gz KEDWSCOPZVAMER-JQWIXIFHSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753740 801666966 /nfs/dbraw/zinc/66/69/66/801666966.db2.gz FHEREYFOAJOGAA-WDEREUQCSA-N 1 3 266.345 -0.086 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046838127 801795602 /nfs/dbraw/zinc/79/56/02/801795602.db2.gz FITKYEZFIWRJBD-YPMHNXCESA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046838127 801795606 /nfs/dbraw/zinc/79/56/06/801795606.db2.gz FITKYEZFIWRJBD-YPMHNXCESA-N 1 3 255.362 -0.489 20 0 CBADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598277 801909390 /nfs/dbraw/zinc/90/93/90/801909390.db2.gz DHTIVDQFLUBURP-STQMWFEESA-N 1 3 281.400 -0.004 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)N(C)C ZINC001049067312 801994760 /nfs/dbraw/zinc/99/47/60/801994760.db2.gz VMIGUOFMNFOMMA-XQQFMLRXSA-N 1 3 269.389 -0.291 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N(C)C ZINC001049067312 801994772 /nfs/dbraw/zinc/99/47/72/801994772.db2.gz VMIGUOFMNFOMMA-XQQFMLRXSA-N 1 3 269.389 -0.291 20 0 CBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049083298 801997347 /nfs/dbraw/zinc/99/73/47/801997347.db2.gz XLPKSGQRODEQQS-TXEJJXNPSA-N 1 3 278.356 -0.275 20 0 CBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049083298 801997353 /nfs/dbraw/zinc/99/73/53/801997353.db2.gz XLPKSGQRODEQQS-TXEJJXNPSA-N 1 3 278.356 -0.275 20 0 CBADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049083894 801998603 /nfs/dbraw/zinc/99/86/03/801998603.db2.gz YHVZXEHEWKDOEA-SDDRHHMPSA-N 1 3 278.356 -0.277 20 0 CBADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049083894 801998607 /nfs/dbraw/zinc/99/86/07/801998607.db2.gz YHVZXEHEWKDOEA-SDDRHHMPSA-N 1 3 278.356 -0.277 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001054296433 802330193 /nfs/dbraw/zinc/33/01/93/802330193.db2.gz FKHMPERYHUUPLC-QJPTWQEYSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001054296794 802330262 /nfs/dbraw/zinc/33/02/62/802330262.db2.gz MPFQBBZGMMSYSE-QJPTWQEYSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001054296793 802330838 /nfs/dbraw/zinc/33/08/38/802330838.db2.gz MPFQBBZGMMSYSE-IJLUTSLNSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054736542 802366640 /nfs/dbraw/zinc/36/66/40/802366640.db2.gz KJMURTVEGBWHCL-PWSUYJOCSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001122021757 813105569 /nfs/dbraw/zinc/10/55/69/813105569.db2.gz OAXGUKOAMDSOHT-IJLUTSLNSA-N 1 3 252.362 -0.900 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122101011 813117609 /nfs/dbraw/zinc/11/76/09/813117609.db2.gz UXPWGYWYTIVYIT-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426508 813163847 /nfs/dbraw/zinc/16/38/47/813163847.db2.gz IIOPMJNTNNFQHS-NXEZZACHSA-N 1 3 263.345 -0.122 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426509 813164077 /nfs/dbraw/zinc/16/40/77/813164077.db2.gz IIOPMJNTNNFQHS-UWVGGRQHSA-N 1 3 263.345 -0.122 20 0 CBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001133291013 814237188 /nfs/dbraw/zinc/23/71/88/814237188.db2.gz HSQVTYHJKPGWBV-SNVBAGLBSA-N 1 3 258.366 -0.879 20 0 CBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001133290954 814237276 /nfs/dbraw/zinc/23/72/76/814237276.db2.gz GCFVETOBYJNGGG-LLVKDONJSA-N 1 3 286.420 -0.053 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291193 814237292 /nfs/dbraw/zinc/23/72/92/814237292.db2.gz KZSBVCAKPZVGGM-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(C(N)=O)CC1 ZINC001143171553 814761854 /nfs/dbraw/zinc/76/18/54/814761854.db2.gz ROXPNOAGVKXDIS-UHFFFAOYSA-N 1 3 269.349 -0.684 20 0 CBADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)N(C)C ZINC001148365191 814941271 /nfs/dbraw/zinc/94/12/71/814941271.db2.gz KQUQYRHLOULLQR-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001148360651 814941447 /nfs/dbraw/zinc/94/14/47/814941447.db2.gz ZECZHNLUWBMVRH-NSHDSACASA-N 1 3 298.387 -0.771 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC ZINC001148570790 814951281 /nfs/dbraw/zinc/95/12/81/814951281.db2.gz MCHQGHHQZJJLRA-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC ZINC001148570790 814951286 /nfs/dbraw/zinc/95/12/86/814951286.db2.gz MCHQGHHQZJJLRA-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001148577852 814950471 /nfs/dbraw/zinc/95/04/71/814950471.db2.gz GQYKNCOUIKEANM-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001148577852 814950474 /nfs/dbraw/zinc/95/04/74/814950474.db2.gz GQYKNCOUIKEANM-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC ZINC001148577851 814950840 /nfs/dbraw/zinc/95/08/40/814950840.db2.gz GQYKNCOUIKEANM-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC ZINC001148577851 814950846 /nfs/dbraw/zinc/95/08/46/814950846.db2.gz GQYKNCOUIKEANM-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001148638099 814954639 /nfs/dbraw/zinc/95/46/39/814954639.db2.gz CCSHQPKOHXHAJY-NSHDSACASA-N 1 3 261.366 -0.959 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001148642929 814954939 /nfs/dbraw/zinc/95/49/39/814954939.db2.gz QSTPJZXKCHYAJW-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001321652967 803796883 /nfs/dbraw/zinc/79/68/83/803796883.db2.gz SKSVYGFALMYFNZ-VWYCJHECSA-N 1 3 298.387 -0.774 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001321710592 803805505 /nfs/dbraw/zinc/80/55/05/803805505.db2.gz QZEQXQOGXNHASD-VXGBXAGGSA-N 1 3 299.419 -0.554 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001321710495 803806437 /nfs/dbraw/zinc/80/64/37/803806437.db2.gz OXRLRQNHLVTZSA-NXEZZACHSA-N 1 3 258.366 -0.833 20 0 CBADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321740314 803808679 /nfs/dbraw/zinc/80/86/79/803808679.db2.gz VZYOVSYPXAZQTQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321740314 803808688 /nfs/dbraw/zinc/80/86/88/803808688.db2.gz VZYOVSYPXAZQTQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)CN1CCCC1 ZINC001322834517 803946701 /nfs/dbraw/zinc/94/67/01/803946701.db2.gz DWUQPEMVORJRBG-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001325414258 804285387 /nfs/dbraw/zinc/28/53/87/804285387.db2.gz UEYUUMIAMDXOAF-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001150598355 815036594 /nfs/dbraw/zinc/03/65/94/815036594.db2.gz ZTHDVMBIZMLJOB-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001150598355 815036599 /nfs/dbraw/zinc/03/65/99/815036599.db2.gz ZTHDVMBIZMLJOB-ZIAGYGMSSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001151048670 815052557 /nfs/dbraw/zinc/05/25/57/815052557.db2.gz CXBYADWRLLLXSQ-LBPRGKRZSA-N 1 3 282.388 -0.830 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001151048670 815052561 /nfs/dbraw/zinc/05/25/61/815052561.db2.gz CXBYADWRLLLXSQ-LBPRGKRZSA-N 1 3 282.388 -0.830 20 0 CBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049033 815053430 /nfs/dbraw/zinc/05/34/30/815053430.db2.gz HVGQUMNFQQEQDF-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049033 815053435 /nfs/dbraw/zinc/05/34/35/815053435.db2.gz HVGQUMNFQQEQDF-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151049688 815054289 /nfs/dbraw/zinc/05/42/89/815054289.db2.gz WBYDZZNODGABAN-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151049688 815054295 /nfs/dbraw/zinc/05/42/95/815054295.db2.gz WBYDZZNODGABAN-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049391 815055581 /nfs/dbraw/zinc/05/55/81/815055581.db2.gz NAHKKPCDXMBXOC-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049391 815055587 /nfs/dbraw/zinc/05/55/87/815055587.db2.gz NAHKKPCDXMBXOC-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073055 815056531 /nfs/dbraw/zinc/05/65/31/815056531.db2.gz FLOXZFMYCDHRLO-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073055 815056538 /nfs/dbraw/zinc/05/65/38/815056538.db2.gz FLOXZFMYCDHRLO-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074061 815058383 /nfs/dbraw/zinc/05/83/83/815058383.db2.gz UPBDTOKNANHQHB-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074061 815058388 /nfs/dbraw/zinc/05/83/88/815058388.db2.gz UPBDTOKNANHQHB-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890997 805422034 /nfs/dbraw/zinc/42/20/34/805422034.db2.gz KONUZPITDFCUSK-UONOGXRCSA-N 1 3 299.415 -0.208 20 0 CBADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890997 805422039 /nfs/dbraw/zinc/42/20/39/805422039.db2.gz KONUZPITDFCUSK-UONOGXRCSA-N 1 3 299.415 -0.208 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687093 805465829 /nfs/dbraw/zinc/46/58/29/805465829.db2.gz VYSIFSPHSOAMMN-GVXVVHGQSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074695289 805465883 /nfs/dbraw/zinc/46/58/83/805465883.db2.gz RXOXBXSLZJFMTJ-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074695289 805465887 /nfs/dbraw/zinc/46/58/87/805465887.db2.gz RXOXBXSLZJFMTJ-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(N)=O ZINC001075108837 805482943 /nfs/dbraw/zinc/48/29/43/805482943.db2.gz QLFQHTRSHIMTFC-WOPDTQHZSA-N 1 3 282.388 -0.465 20 0 CBADHO CNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152138134 815106657 /nfs/dbraw/zinc/10/66/57/815106657.db2.gz SGJUTCVHSLKHDP-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152146393 815107520 /nfs/dbraw/zinc/10/75/20/815107520.db2.gz JICOLVZJSCPFDH-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001152149553 815107978 /nfs/dbraw/zinc/10/79/78/815107978.db2.gz YOABEYZGMDOMOZ-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222650 815110422 /nfs/dbraw/zinc/11/04/22/815110422.db2.gz AKDHNICAUYKVHF-UHFFFAOYSA-N 1 3 256.350 -0.947 20 0 CBADHO C[NH+](C)Cc1cccc(C(=O)NCCNCC(N)=O)c1 ZINC001152237767 815112592 /nfs/dbraw/zinc/11/25/92/815112592.db2.gz UFCQZDDGABFTFN-UHFFFAOYSA-N 1 3 278.356 -0.447 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NCCN[C@H]1CCNC1=O ZINC001152339834 815116192 /nfs/dbraw/zinc/11/61/92/815116192.db2.gz CHOWPHVLPPMTDR-LBPRGKRZSA-N 1 3 282.388 -0.543 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)N1CCC1 ZINC001152340032 815116670 /nfs/dbraw/zinc/11/66/70/815116670.db2.gz FCNBFRNFBJWPPK-UHFFFAOYSA-N 1 3 296.415 -0.200 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152349192 815117104 /nfs/dbraw/zinc/11/71/04/815117104.db2.gz WHZGUSJGCZLOCX-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001152432107 815121395 /nfs/dbraw/zinc/12/13/95/815121395.db2.gz FUOMBRVIQCDICZ-NSHDSACASA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001152427194 815121410 /nfs/dbraw/zinc/12/14/10/815121410.db2.gz UMLJPRNNBTUTNF-UHFFFAOYSA-N 1 3 285.392 -0.942 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445873 815122268 /nfs/dbraw/zinc/12/22/68/815122268.db2.gz QAPXITCDBREOEE-GFCCVEGCSA-N 1 3 286.420 -0.053 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001152470704 815124145 /nfs/dbraw/zinc/12/41/45/815124145.db2.gz FOOCPSNRPPSBDD-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152458170 815124216 /nfs/dbraw/zinc/12/42/16/815124216.db2.gz MBQZGDMAJKKKTE-ZDUSSCGKSA-N 1 3 294.403 -0.142 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471557 815124307 /nfs/dbraw/zinc/12/43/07/815124307.db2.gz MCNKPEDXJRRQEW-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001152458760 815124315 /nfs/dbraw/zinc/12/43/15/815124315.db2.gz SNXKCTGYWKPUFM-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO O=C(CCCC[NH+]1CCCC1)NCCN[C@H]1CCNC1=O ZINC001153314277 815157050 /nfs/dbraw/zinc/15/70/50/815157050.db2.gz HHYHZLUYQXSOLV-ZDUSSCGKSA-N 1 3 296.415 -0.153 20 0 CBADHO COC(=O)[C@@H](N)C1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001155153329 815267272 /nfs/dbraw/zinc/26/72/72/815267272.db2.gz PQLIRJPMLUCAHZ-LBPRGKRZSA-N 1 3 291.355 -0.204 20 0 CBADHO c1nc(NC[C@]23C[NH2+]C[C@H]2COC3)nc2c1CNCC2 ZINC001155509414 815289325 /nfs/dbraw/zinc/28/93/25/815289325.db2.gz CVSIHEYHFOUZPZ-FZMZJTMJSA-N 1 3 275.356 -0.230 20 0 CBADHO N[C@H](C(=O)N1CCN(CCF)CC1)C1CC[NH2+]CC1 ZINC001160628811 815645560 /nfs/dbraw/zinc/64/55/60/815645560.db2.gz FPQVDHAWWFAHRG-LBPRGKRZSA-N 1 3 272.368 -0.573 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)CCNC3)N1 ZINC001155570632 815294328 /nfs/dbraw/zinc/29/43/28/815294328.db2.gz NWIGYJXOODKBSE-GXFFZTMASA-N 1 3 274.328 -0.888 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3c(nn2)CCNC3)N1 ZINC001155574247 815296394 /nfs/dbraw/zinc/29/63/94/815296394.db2.gz FVTYRWHIKSKYEQ-MFKMUULPSA-N 1 3 274.328 -0.888 20 0 CBADHO c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nnc2c1CNCC2 ZINC001155638121 815302822 /nfs/dbraw/zinc/30/28/22/815302822.db2.gz CCMBQMHGEKQZGQ-MDZLAQPJSA-N 1 3 261.329 -0.337 20 0 CBADHO NCc1cc(N(c2ncccn2)C2C[NH2+]C2)ncn1 ZINC001155870468 815318721 /nfs/dbraw/zinc/31/87/21/815318721.db2.gz XHUVJHQQRCZFID-UHFFFAOYSA-N 1 3 257.301 -0.165 20 0 CBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001087261905 810290636 /nfs/dbraw/zinc/29/06/36/810290636.db2.gz GDLGGFRXELLFKX-SNVBAGLBSA-N 1 3 293.371 -0.140 20 0 CBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001087261905 810290640 /nfs/dbraw/zinc/29/06/40/810290640.db2.gz GDLGGFRXELLFKX-SNVBAGLBSA-N 1 3 293.371 -0.140 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001090539503 810520948 /nfs/dbraw/zinc/52/09/48/810520948.db2.gz YKLARNPZTKUAKN-KGLIPLIRSA-N 1 3 299.415 -0.738 20 0 CBADHO [NH3+]CCc1nnn(-c2nc(Cl)nc3c2CNCC3)n1 ZINC001156985652 815395743 /nfs/dbraw/zinc/39/57/43/815395743.db2.gz INUBKGWNLRJMFC-UHFFFAOYSA-N 1 3 280.723 -0.747 20 0 CBADHO [NH3+]CCc1nnn(-c2nc(Cl)nc3c2CCNC3)n1 ZINC001156985630 815396177 /nfs/dbraw/zinc/39/61/77/815396177.db2.gz HFPLVHWYOXFHCM-UHFFFAOYSA-N 1 3 280.723 -0.747 20 0 CBADHO CCNC(=O)c1ccc(NC(=N)NCCCC[NH3+])nn1 ZINC001157100067 815405132 /nfs/dbraw/zinc/40/51/32/815405132.db2.gz YTUDBALRMUSXPI-UHFFFAOYSA-N 1 3 279.348 -0.099 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971859 810979316 /nfs/dbraw/zinc/97/93/16/810979316.db2.gz NLHSUZXFDCNPNT-CHWSQXEVSA-N 1 3 299.415 -0.474 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001099971414 810980641 /nfs/dbraw/zinc/98/06/41/810980641.db2.gz HJXKKYGRLFSAHD-STQMWFEESA-N 1 3 299.415 -0.738 20 0 CBADHO CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973344 810981426 /nfs/dbraw/zinc/98/14/26/810981426.db2.gz BIYJNKXTLONVPX-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO COCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974666 810982259 /nfs/dbraw/zinc/98/22/59/810982259.db2.gz SWPZEHSYOKTJCH-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973342 810982490 /nfs/dbraw/zinc/98/24/90/810982490.db2.gz BIYJNKXTLONVPX-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCOCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988246 810986506 /nfs/dbraw/zinc/98/65/06/810986506.db2.gz FTHDRPVOIAXHII-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@H]1O ZINC001100082435 811018970 /nfs/dbraw/zinc/01/89/70/811018970.db2.gz BQPXPGREPCRVAY-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@H]1O ZINC001100082435 811018975 /nfs/dbraw/zinc/01/89/75/811018975.db2.gz BQPXPGREPCRVAY-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100131256 811026471 /nfs/dbraw/zinc/02/64/71/811026471.db2.gz AIFFOUGBJLFVPU-OLZOCXBDSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100131256 811026474 /nfs/dbraw/zinc/02/64/74/811026474.db2.gz AIFFOUGBJLFVPU-OLZOCXBDSA-N 1 3 287.404 -0.740 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100423704 811056455 /nfs/dbraw/zinc/05/64/55/811056455.db2.gz VEISWJQXXIEXOE-YIZWMMSDSA-N 1 3 298.431 -0.197 20 0 CBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)C1CC1 ZINC001100407953 811057190 /nfs/dbraw/zinc/05/71/90/811057190.db2.gz PEKMMZFUZWLTQH-QEIKUCIBSA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100678769 811071094 /nfs/dbraw/zinc/07/10/94/811071094.db2.gz WBIZXHLRGAQSLO-VOMCLLRMSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100676860 811071201 /nfs/dbraw/zinc/07/12/01/811071201.db2.gz UNYRYNOAFCUSJS-UNXYVOJBSA-N 1 3 282.388 -0.560 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100769474 811077745 /nfs/dbraw/zinc/07/77/45/811077745.db2.gz LQAXHIJLJXMSLL-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC1CCC1 ZINC001157335808 815424066 /nfs/dbraw/zinc/42/40/66/815424066.db2.gz KFBVFJGDZITIGM-RYUDHWBXSA-N 1 3 284.404 -0.136 20 0 CBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292517 811149095 /nfs/dbraw/zinc/14/90/95/811149095.db2.gz RAIXEGDTASHROG-FRRDWIJNSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320484 811152219 /nfs/dbraw/zinc/15/22/19/811152219.db2.gz DXPDUMBOJFUZSF-UPJWGTAASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102496360 811158501 /nfs/dbraw/zinc/15/85/01/811158501.db2.gz RJDXGFHIHGOGJX-FRRDWIJNSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102496360 811158507 /nfs/dbraw/zinc/15/85/07/811158507.db2.gz RJDXGFHIHGOGJX-FRRDWIJNSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104000062 811192032 /nfs/dbraw/zinc/19/20/32/811192032.db2.gz UWELACVRCBGTHV-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104809611 811211229 /nfs/dbraw/zinc/21/12/29/811211229.db2.gz LUOUPQKLTZFYAN-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H]1CCCO1 ZINC001157423228 815432557 /nfs/dbraw/zinc/43/25/57/815432557.db2.gz LQDVBOGCWXIVAU-KZVDOYCCSA-N 1 3 267.373 -0.131 20 0 CBADHO CN1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001157451071 815435328 /nfs/dbraw/zinc/43/53/28/815435328.db2.gz KFJKFSYRWYBICU-LBPRGKRZSA-N 1 3 256.394 -0.180 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704850 811315604 /nfs/dbraw/zinc/31/56/04/811315604.db2.gz FSKLVKUBACYRBR-GHMZBOCLSA-N 1 3 293.371 -0.618 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106779740 811316548 /nfs/dbraw/zinc/31/65/48/811316548.db2.gz UZKWIHWHSKISLM-VXGBXAGGSA-N 1 3 284.404 -0.502 20 0 CBADHO CCCN(CCOC)C(=O)[C@@H](N)CSCC[NH3+] ZINC001157486586 815439097 /nfs/dbraw/zinc/43/90/97/815439097.db2.gz ZAQCBXRIRIFHRW-JTQLQIEISA-N 1 3 263.407 -0.109 20 0 CBADHO CNC(=O)C1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157496513 815439731 /nfs/dbraw/zinc/43/97/31/815439731.db2.gz VXRZKMJVHDOCTQ-NSHDSACASA-N 1 3 270.377 -0.573 20 0 CBADHO O=C(N1CC(N2CC(F)C2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157528505 815442372 /nfs/dbraw/zinc/44/23/72/815442372.db2.gz UYSSHGPLAODAMJ-QMTHXVAHSA-N 1 3 282.363 -0.950 20 0 CBADHO N[C@H]1CN(C(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)C[C@H]1F ZINC001157537139 815443604 /nfs/dbraw/zinc/44/36/04/815443604.db2.gz YUXLMOHOPNGPEL-LSCVPOLPSA-N 1 3 271.336 -0.347 20 0 CBADHO CCOC(=O)CN(CCC[NH3+])c1ncc2c(n1)CCNC2 ZINC001157545178 815444007 /nfs/dbraw/zinc/44/40/07/815444007.db2.gz ZODIGMZXXYQTCU-UHFFFAOYSA-N 1 3 293.371 -0.159 20 0 CBADHO N[C@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[C@H]1F ZINC001157548006 815445110 /nfs/dbraw/zinc/44/51/10/815445110.db2.gz FRXJIAUYHXDTOL-ZJUUUORDSA-N 1 3 294.334 -0.993 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2cnccc2C1 ZINC001157566699 815446367 /nfs/dbraw/zinc/44/63/67/815446367.db2.gz DNMNDWSTSGGNFK-CYBMUJFWSA-N 1 3 272.352 -0.225 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCOCC(F)(F)C1 ZINC001157708535 815455435 /nfs/dbraw/zinc/45/54/35/815455435.db2.gz VCFLHWUVQNUOTG-SECBINFHSA-N 1 3 275.299 -0.711 20 0 CBADHO CN(Cc1ncccn1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001157681063 815452871 /nfs/dbraw/zinc/45/28/71/815452871.db2.gz CONKMHHBOQSFGO-VIFPVBQESA-N 1 3 269.374 -0.546 20 0 CBADHO O=C(N1Cc2cncnc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157707930 815454618 /nfs/dbraw/zinc/45/46/18/815454618.db2.gz ARRQKUHPSMCBSW-BXUZGUMPSA-N 1 3 273.340 -0.482 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCCO1 ZINC001157702866 815454749 /nfs/dbraw/zinc/45/47/49/815454749.db2.gz FDHLKYUYHJSCMI-QWRGUYRKSA-N 1 3 253.346 -0.567 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708520 815455355 /nfs/dbraw/zinc/45/53/55/815455355.db2.gz UGMOIFFDLCWLRP-QMMMGPOBSA-N 1 3 283.344 -0.500 20 0 CBADHO O=C(N1CCOCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157708765 815455425 /nfs/dbraw/zinc/45/54/25/815455425.db2.gz ZSGOXTSLVKMVIB-ZYHUDNBSSA-N 1 3 289.326 -0.320 20 0 CBADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277367 811543511 /nfs/dbraw/zinc/54/35/11/811543511.db2.gz OFDRQHNCMSIRQO-SYQHCUMBSA-N 1 3 299.415 -0.333 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157716808 815456688 /nfs/dbraw/zinc/45/66/88/815456688.db2.gz SYGSQHOVPIQVCD-QNWHQSFQSA-N 1 3 283.372 -0.800 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001157717165 815456700 /nfs/dbraw/zinc/45/67/00/815456700.db2.gz XMPOLQKADONZLZ-NEPJUHHUSA-N 1 3 287.404 -0.034 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112159230 811561240 /nfs/dbraw/zinc/56/12/40/811561240.db2.gz XLZZMIOJKXUBDX-NXEZZACHSA-N 1 3 297.321 -0.091 20 0 CBADHO N[C@@H](C(=O)N1CC(F)(F)CC[C@@H]1CO)C1CC[NH2+]CC1 ZINC001157730026 815458047 /nfs/dbraw/zinc/45/80/47/815458047.db2.gz GXSDIOAOENRDAG-GHMZBOCLSA-N 1 3 291.342 -0.068 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157731402 815459182 /nfs/dbraw/zinc/45/91/82/815459182.db2.gz UPJZPZVCGYYVCN-AXFHLTTASA-N 1 3 261.341 -0.378 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@](O)(CF)CC1 ZINC001157782273 815465789 /nfs/dbraw/zinc/46/57/89/815465789.db2.gz XZYKFPLANCKVED-RISCZKNCSA-N 1 3 285.363 -0.492 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157755086 815463037 /nfs/dbraw/zinc/46/30/37/815463037.db2.gz NMUWFOGZOIDJEO-OUJBWJOFSA-N 1 3 288.367 -0.482 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157844301 815470357 /nfs/dbraw/zinc/47/03/57/815470357.db2.gz VWXOMMRBBJAHRM-FOGDFJRCSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157844301 815470361 /nfs/dbraw/zinc/47/03/61/815470361.db2.gz VWXOMMRBBJAHRM-FOGDFJRCSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CC[S@](C)=O ZINC001157843797 815470590 /nfs/dbraw/zinc/47/05/90/815470590.db2.gz SWSJSBGTVCSZQC-UYLUIQCMSA-N 1 3 275.418 -0.332 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157855629 815472918 /nfs/dbraw/zinc/47/29/18/815472918.db2.gz OLBHRDCAFYIWFZ-MXWKQRLJSA-N 1 3 259.325 -0.755 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157878292 815476414 /nfs/dbraw/zinc/47/64/14/815476414.db2.gz YUCFKRRLGKBRMN-VGMNWLOBSA-N 1 3 283.294 -0.318 20 0 CBADHO N[C@H](C(=O)N1C[C@H](CO)CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157900899 815479507 /nfs/dbraw/zinc/47/95/07/815479507.db2.gz UYDJBSLXKHEJGL-KOLCDFICSA-N 1 3 291.342 -0.211 20 0 CBADHO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157916055 815482115 /nfs/dbraw/zinc/48/21/15/815482115.db2.gz XVOGXMAFDNHKSI-DCAQKATOSA-N 1 3 253.346 -0.833 20 0 CBADHO COC[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157922446 815483352 /nfs/dbraw/zinc/48/33/52/815483352.db2.gz ODGUJKNOXMPJTK-VXGBXAGGSA-N 1 3 267.373 -0.177 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935282 815487011 /nfs/dbraw/zinc/48/70/11/815487011.db2.gz SXVAHPYJRWEITE-JQWIXIFHSA-N 1 3 261.341 -0.234 20 0 CBADHO O=C(N1CCC[C@](F)(CO)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157935041 815487678 /nfs/dbraw/zinc/48/76/78/815487678.db2.gz QLLVIXVPKIHWOS-BPLDGKMQSA-N 1 3 299.390 -0.101 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157937366 815488422 /nfs/dbraw/zinc/48/84/22/815488422.db2.gz SONKMCURKKBJTB-QMMMGPOBSA-N 1 3 250.293 -0.880 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2n[nH]cc2C1 ZINC001157988543 815495745 /nfs/dbraw/zinc/49/57/45/815495745.db2.gz FVFZFQGVUMIOSM-SNVBAGLBSA-N 1 3 261.329 -0.897 20 0 CBADHO N[C@@H](C(=O)N1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001157989753 815495940 /nfs/dbraw/zinc/49/59/40/815495940.db2.gz SBJWATZSIOMJGA-GFCCVEGCSA-N 1 3 263.345 -0.379 20 0 CBADHO C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1O ZINC001157998314 815497083 /nfs/dbraw/zinc/49/70/83/815497083.db2.gz WCQCPTATFJONSL-TUAOUCFPSA-N 1 3 267.373 -0.300 20 0 CBADHO C[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1O ZINC001157998314 815497087 /nfs/dbraw/zinc/49/70/87/815497087.db2.gz WCQCPTATFJONSL-TUAOUCFPSA-N 1 3 267.373 -0.300 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158013017 815497997 /nfs/dbraw/zinc/49/79/97/815497997.db2.gz BCHDCRMYUKQCIG-GUBZILKMSA-N 1 3 275.324 -0.445 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102119 815503776 /nfs/dbraw/zinc/50/37/76/815503776.db2.gz OKJBOXGPFXNORY-SMDDNHRTSA-N 1 3 280.372 -0.806 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161852 815507460 /nfs/dbraw/zinc/50/74/60/815507460.db2.gz RKNJYBZABKNJKI-CENXUZMRSA-N 1 3 287.429 -0.173 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115074783 812177317 /nfs/dbraw/zinc/17/73/17/812177317.db2.gz SGVQKLIPNRZMLD-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115074783 812177323 /nfs/dbraw/zinc/17/73/23/812177323.db2.gz SGVQKLIPNRZMLD-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001115161862 812183048 /nfs/dbraw/zinc/18/30/48/812183048.db2.gz OGQIUSRAWYDVJT-NMKXLXIOSA-N 1 3 269.389 -0.245 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001115161862 812183054 /nfs/dbraw/zinc/18/30/54/812183054.db2.gz OGQIUSRAWYDVJT-NMKXLXIOSA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115303722 812191031 /nfs/dbraw/zinc/19/10/31/812191031.db2.gz IRAQJQICNYOHDG-CZXHOFHRSA-N 1 3 294.399 -0.739 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115303722 812191039 /nfs/dbraw/zinc/19/10/39/812191039.db2.gz IRAQJQICNYOHDG-CZXHOFHRSA-N 1 3 294.399 -0.739 20 0 CBADHO O=C(N1CCC2(COC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158169626 815508541 /nfs/dbraw/zinc/50/85/41/815508541.db2.gz VHEKDNZLJQXWGU-BXUZGUMPSA-N 1 3 265.357 -0.566 20 0 CBADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166613 815508551 /nfs/dbraw/zinc/50/85/51/815508551.db2.gz ALNRWNBZKSCUTJ-NOOOWODRSA-N 1 3 271.336 -0.477 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001158235492 815515029 /nfs/dbraw/zinc/51/50/29/815515029.db2.gz MOYZHRACMJTODL-MJVIPROJSA-N 1 3 299.371 -0.909 20 0 CBADHO N[C@H](C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C1CCC(O)CC1 ZINC001158305051 815518621 /nfs/dbraw/zinc/51/86/21/815518621.db2.gz BCLGNWHLOFMPSM-TXTTUAKNSA-N 1 3 267.373 -0.315 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158414266 815526696 /nfs/dbraw/zinc/52/66/96/815526696.db2.gz FFIQJUOCQSIZSK-SRVKXCTJSA-N 1 3 263.345 -0.747 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158327466 815520835 /nfs/dbraw/zinc/52/08/35/815520835.db2.gz IWMZHQNUHFJPHH-XKNYDFJKSA-N 1 3 261.366 -0.178 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001158339367 815522015 /nfs/dbraw/zinc/52/20/15/815522015.db2.gz OWDAVPMAXCBLAG-JTQLQIEISA-N 1 3 265.361 -0.288 20 0 CBADHO NCc1cnnn1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001158428361 815529562 /nfs/dbraw/zinc/52/95/62/815529562.db2.gz UFMVMDRYOZMGTF-UHFFFAOYSA-N 1 3 275.316 -0.353 20 0 CBADHO CC(C)([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001118226330 812500331 /nfs/dbraw/zinc/50/03/31/812500331.db2.gz GULGTPWMMRPULB-JTQLQIEISA-N 1 3 266.349 -0.362 20 0 CBADHO NC[C@H](N)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158546468 815538210 /nfs/dbraw/zinc/53/82/10/815538210.db2.gz ILJYJSODGPISAO-YCPHGPKFSA-N 1 3 288.395 -0.122 20 0 CBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](N)CCC[NH3+] ZINC001158524262 815536193 /nfs/dbraw/zinc/53/61/93/815536193.db2.gz NMJUTUJKJAKHJV-NRUUGDAUSA-N 1 3 269.345 -0.393 20 0 CBADHO C([C@H]1CNCCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC001118506395 812562684 /nfs/dbraw/zinc/56/26/84/812562684.db2.gz PAGVCZLPBIQYRL-CQSZACIVSA-N 1 3 269.389 -0.229 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001118550362 812573190 /nfs/dbraw/zinc/57/31/90/812573190.db2.gz DZLSGSUCSMMRPE-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567167 815537897 /nfs/dbraw/zinc/53/78/97/815537897.db2.gz FKTJUIFUYOTHIC-USWWRNFRSA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567167 815537901 /nfs/dbraw/zinc/53/79/01/815537901.db2.gz FKTJUIFUYOTHIC-USWWRNFRSA-N 1 3 295.362 -0.185 20 0 CBADHO Cc1c(CN)c(NC(=O)C2=NO[C@H](C[NH3+])C2)nn1C ZINC001118572549 812580035 /nfs/dbraw/zinc/58/00/35/812580035.db2.gz SPKHEFXVEHWKIE-ZETCQYMHSA-N 1 3 266.305 -0.771 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118571870 812580585 /nfs/dbraw/zinc/58/05/85/812580585.db2.gz KIVNCPQTSDEWCT-SSDOTTSWSA-N 1 3 253.306 -0.887 20 0 CBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(CN)ncn1)CC2 ZINC001158640213 815542040 /nfs/dbraw/zinc/54/20/40/815542040.db2.gz XRVGBKJGICXSBJ-SMDDNHRTSA-N 1 3 291.355 -0.333 20 0 CBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(CN)ncn1)CC2 ZINC001158640212 815542248 /nfs/dbraw/zinc/54/22/48/815542248.db2.gz XRVGBKJGICXSBJ-RISCZKNCSA-N 1 3 291.355 -0.333 20 0 CBADHO COCC[C@@H]([NH3+])Cc1cn(C[C@@H]2CNCCO2)nn1 ZINC001118917888 812661992 /nfs/dbraw/zinc/66/19/92/812661992.db2.gz PLVMKEMQYIYNDH-PWSUYJOCSA-N 1 3 269.349 -0.827 20 0 CBADHO CC(C)N(C(=O)[C@@H](N)CN)c1ncnc2c1CC[NH2+]CC2 ZINC001158759165 815545125 /nfs/dbraw/zinc/54/51/25/815545125.db2.gz JOAUZVRVVCYZQZ-NSHDSACASA-N 1 3 292.387 -0.808 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C[C@H](O)CO ZINC001158798154 815548540 /nfs/dbraw/zinc/54/85/40/815548540.db2.gz FVPGMASVYAFSLW-RYUDHWBXSA-N 1 3 275.393 -0.706 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001119295607 812744353 /nfs/dbraw/zinc/74/43/53/812744353.db2.gz DZGGSHFHYCSDQV-CYBMUJFWSA-N 1 3 263.345 -0.296 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001119295859 812745857 /nfs/dbraw/zinc/74/58/57/812745857.db2.gz YVVWCNMFHKSSDY-RWMBFGLXSA-N 1 3 296.415 -0.027 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC001119355177 812764031 /nfs/dbraw/zinc/76/40/31/812764031.db2.gz QYSXCLXQPKCAJU-AOOOYVTPSA-N 1 3 268.361 -0.950 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001119352510 812764134 /nfs/dbraw/zinc/76/41/34/812764134.db2.gz MGRGCEBDCXZTMJ-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC001119355891 812765485 /nfs/dbraw/zinc/76/54/85/812765485.db2.gz ZRSDJBKAJZXSAE-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO [NH3+]CCN(CC(F)(F)F)C(=O)C[C@@H]1CNCCO1 ZINC001119361745 812766509 /nfs/dbraw/zinc/76/65/09/812766509.db2.gz OZBHTLVEWUTJGV-MRVPVSSYSA-N 1 3 269.267 -0.286 20 0 CBADHO CN1CCN(C2CCN(C(=O)NCC[NH3+])CC2)CC1 ZINC001119415000 812778014 /nfs/dbraw/zinc/77/80/14/812778014.db2.gz PGKFNNXUYHJHSG-UHFFFAOYSA-N 1 3 269.393 -0.634 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC ZINC001159154759 815560667 /nfs/dbraw/zinc/56/06/67/815560667.db2.gz BVJKLSYGGBWCAK-NSHDSACASA-N 1 3 290.383 -0.492 20 0 CBADHO C[C@@H](N)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132631 815560767 /nfs/dbraw/zinc/56/07/67/815560767.db2.gz BWQLEJVFIQGKMR-GHMZBOCLSA-N 1 3 265.361 -0.250 20 0 CBADHO CC(C)(C)N(C(=O)[C@@H](N)CN)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160271 815560908 /nfs/dbraw/zinc/56/09/08/815560908.db2.gz HCVVKIMAXCTIFW-NEPJUHHUSA-N 1 3 298.431 -0.189 20 0 CBADHO [NH3+]CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120538501 812985831 /nfs/dbraw/zinc/98/58/31/812985831.db2.gz OKXXVWFSTDLVDH-WDEREUQCSA-N 1 3 256.350 -0.814 20 0 CBADHO [NH3+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120538497 812985893 /nfs/dbraw/zinc/98/58/93/812985893.db2.gz OKXXVWFSTDLVDH-MNOVXSKESA-N 1 3 256.350 -0.814 20 0 CBADHO O[C@H](C[NH2+]CCNc1cnccn1)CN1CCCC1 ZINC001120573007 812994985 /nfs/dbraw/zinc/99/49/85/812994985.db2.gz KPIFMBXRUPTORI-GFCCVEGCSA-N 1 3 265.361 -0.065 20 0 CBADHO CCN1CC[C@@]2(CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]2C)C1=O ZINC001159316596 815568659 /nfs/dbraw/zinc/56/86/59/815568659.db2.gz JWXPKGUPVZDHBA-HUBLWGQQSA-N 1 3 296.415 -0.231 20 0 CBADHO CSCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001121942952 813093096 /nfs/dbraw/zinc/09/30/96/813093096.db2.gz FRQBJSQYRBICFB-NXEZZACHSA-N 1 3 261.391 -0.439 20 0 CBADHO CSCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001121942953 813093233 /nfs/dbraw/zinc/09/32/33/813093233.db2.gz FRQBJSQYRBICFB-VHSXEESVSA-N 1 3 261.391 -0.439 20 0 CBADHO CN(C)[C@@H](CNC(=O)CNCC[NH3+])c1ccccc1 ZINC001121975358 813099670 /nfs/dbraw/zinc/09/96/70/813099670.db2.gz QYCBOHVHWSDWGE-ZDUSSCGKSA-N 1 3 264.373 -0.046 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@H]1C[NH2+]CCC12CCC2 ZINC001121987829 813101419 /nfs/dbraw/zinc/10/14/19/813101419.db2.gz BIXIUWYJUZZAGA-VXGBXAGGSA-N 1 3 267.373 -0.129 20 0 CBADHO COCCNCC(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001122000956 813102216 /nfs/dbraw/zinc/10/22/16/813102216.db2.gz IMKQAGLHXJORMR-SNVBAGLBSA-N 1 3 261.391 -0.566 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CNCCN2C)C[C@@H]1C[NH3+] ZINC001122075139 813113084 /nfs/dbraw/zinc/11/30/84/813113084.db2.gz GVBSCCLQWCKJBP-MROQNXINSA-N 1 3 268.405 -0.278 20 0 CBADHO [NH3+]C[C@@H](O)CNC(=O)c1cc2c(s1)CNCC2 ZINC001122073219 813113545 /nfs/dbraw/zinc/11/35/45/813113545.db2.gz KVGXIYHDKQKIKR-MRVPVSSYSA-N 1 3 255.343 -0.557 20 0 CBADHO [NH3+]CCCSCCC(=O)N1CCOC2(CNC2)C1 ZINC001122083341 813114521 /nfs/dbraw/zinc/11/45/21/813114521.db2.gz YDLSOEWHZQRVRE-UHFFFAOYSA-N 1 3 273.402 -0.341 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001122099693 813117221 /nfs/dbraw/zinc/11/72/21/813117221.db2.gz JEQYEBXXYIYPLI-SRVKXCTJSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@H](Nc1ccc(N2CC[NH2+]CC2)nn1)[C@@H]1CNCCO1 ZINC001159495233 815578133 /nfs/dbraw/zinc/57/81/33/815578133.db2.gz DFVSLAZDRTXYLW-RYUDHWBXSA-N 1 3 292.387 -0.325 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001122143142 813124195 /nfs/dbraw/zinc/12/41/95/813124195.db2.gz IDINZOFMLDTHJR-VHSXEESVSA-N 1 3 253.346 -0.521 20 0 CBADHO C[C@H](Nc1ccc(N2CC[NH2+]CC2)nn1)[C@H]1CNCCO1 ZINC001159495232 815578286 /nfs/dbraw/zinc/57/82/86/815578286.db2.gz DFVSLAZDRTXYLW-NWDGAFQWSA-N 1 3 292.387 -0.325 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001122153582 813125018 /nfs/dbraw/zinc/12/50/18/813125018.db2.gz FZBVJEDBUNECMZ-NBBOBHDQSA-N 1 3 255.318 -0.865 20 0 CBADHO N[C@H](CC(F)F)C(=O)NCCN1CCC([NH3+])CC1 ZINC001122157790 813125968 /nfs/dbraw/zinc/12/59/68/813125968.db2.gz VQNUQOJSLFHOLE-SECBINFHSA-N 1 3 264.320 -0.492 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001122171155 813127322 /nfs/dbraw/zinc/12/73/22/813127322.db2.gz CXNVLFAELANBAS-IVZWLZJFSA-N 1 3 257.334 -0.476 20 0 CBADHO O=C(N1NC(=O)C[C@]12CC[NH2+]C2)C12CCN(CC1)C2 ZINC001122191006 813130232 /nfs/dbraw/zinc/13/02/32/813130232.db2.gz TWWDGQZMERJWEH-ZDUSSCGKSA-N 1 3 264.329 -0.922 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001122192882 813130245 /nfs/dbraw/zinc/13/02/45/813130245.db2.gz ZONMSHHEITXMMX-YNEHKIRRSA-N 1 3 266.389 -0.510 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001122192881 813130749 /nfs/dbraw/zinc/13/07/49/813130749.db2.gz ZONMSHHEITXMMX-RWMBFGLXSA-N 1 3 266.389 -0.510 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122239948 813137497 /nfs/dbraw/zinc/13/74/97/813137497.db2.gz MIJURPNEHHTLRL-GJMOJQLCSA-N 1 3 269.267 -0.302 20 0 CBADHO COCC[C@@H](N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122239946 813137733 /nfs/dbraw/zinc/13/77/33/813137733.db2.gz MIJURPNEHHTLRL-BWZBUEFSSA-N 1 3 269.267 -0.302 20 0 CBADHO C[C@H](Nc1cncc(N2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001159502249 815579625 /nfs/dbraw/zinc/57/96/25/815579625.db2.gz ZDYHMOBCYVZUKX-RYUDHWBXSA-N 1 3 292.387 -0.325 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)N(C)C ZINC001122291454 813140922 /nfs/dbraw/zinc/14/09/22/813140922.db2.gz KRKPWMKGJHWHAE-WCQYABFASA-N 1 3 257.378 -0.115 20 0 CBADHO O=C([C@@H]1CCC[NH2+]1)N1CCC2(CC1)CNCCO2 ZINC001122318794 813145759 /nfs/dbraw/zinc/14/57/59/813145759.db2.gz AEJPMOBLWFHYLW-NSHDSACASA-N 1 3 253.346 -0.281 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC001122362810 813153085 /nfs/dbraw/zinc/15/30/85/813153085.db2.gz GUUUSGLCAGXOPK-WDEREUQCSA-N 1 3 255.362 -0.131 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122410390 813161255 /nfs/dbraw/zinc/16/12/55/813161255.db2.gz BOAMSCTWEADHPR-YPMHNXCESA-N 1 3 253.346 -0.281 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001159853341 815600293 /nfs/dbraw/zinc/60/02/93/815600293.db2.gz CGDIDLMQRVOSQF-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)N(C)C ZINC001123952208 813299861 /nfs/dbraw/zinc/29/98/61/813299861.db2.gz CPKYDCWUIQLWFC-WCQYABFASA-N 1 3 257.378 -0.148 20 0 CBADHO CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124866772 813488959 /nfs/dbraw/zinc/48/89/59/813488959.db2.gz KNGWCORGEPCMNN-QWRGUYRKSA-N 1 3 268.361 -0.983 20 0 CBADHO CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124866771 813489548 /nfs/dbraw/zinc/48/95/48/813489548.db2.gz KNGWCORGEPCMNN-MNOVXSKESA-N 1 3 268.361 -0.983 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124867484 813491782 /nfs/dbraw/zinc/49/17/82/813491782.db2.gz WIQSMNXSHJVVBA-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082500 813711544 /nfs/dbraw/zinc/71/15/44/813711544.db2.gz SHHBNHDEFGCWBW-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082500 813711552 /nfs/dbraw/zinc/71/15/52/813711552.db2.gz SHHBNHDEFGCWBW-NEPJUHHUSA-N 1 3 284.404 -0.171 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475588 813732943 /nfs/dbraw/zinc/73/29/43/813732943.db2.gz WDNBRDKVHOGBPK-LBPRGKRZSA-N 1 3 282.388 -0.830 20 0 CBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481090 813733554 /nfs/dbraw/zinc/73/35/54/813733554.db2.gz PFGBZORJSQFWQP-CHWSQXEVSA-N 1 3 294.399 -0.687 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643796 813739187 /nfs/dbraw/zinc/73/91/87/813739187.db2.gz LNHPPYNOOLCAQC-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643796 813739192 /nfs/dbraw/zinc/73/91/92/813739192.db2.gz LNHPPYNOOLCAQC-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643939 813739743 /nfs/dbraw/zinc/73/97/43/813739743.db2.gz RTBWGXKWOBRFGL-HBNTYKKESA-N 1 3 270.377 -0.833 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643939 813739750 /nfs/dbraw/zinc/73/97/50/813739750.db2.gz RTBWGXKWOBRFGL-HBNTYKKESA-N 1 3 270.377 -0.833 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659453 813740771 /nfs/dbraw/zinc/74/07/71/813740771.db2.gz BCFLVJWFFNRJBG-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659453 813740780 /nfs/dbraw/zinc/74/07/80/813740780.db2.gz BCFLVJWFFNRJBG-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCc2cnn(C)c2)CC[N@@H+]1C ZINC001127685112 813741946 /nfs/dbraw/zinc/74/19/46/813741946.db2.gz CYBRGJZCYHBFQB-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCc2cnn(C)c2)CC[N@H+]1C ZINC001127685112 813741949 /nfs/dbraw/zinc/74/19/49/813741949.db2.gz CYBRGJZCYHBFQB-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001127691008 813742035 /nfs/dbraw/zinc/74/20/35/813742035.db2.gz XBHQTPHWOOJEIR-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC[N@H+]1C ZINC001127691008 813742040 /nfs/dbraw/zinc/74/20/40/813742040.db2.gz XBHQTPHWOOJEIR-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001127701700 813742165 /nfs/dbraw/zinc/74/21/65/813742165.db2.gz WNPORHGXFZSDBO-GARJFASQSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001127701700 813742168 /nfs/dbraw/zinc/74/21/68/813742168.db2.gz WNPORHGXFZSDBO-GARJFASQSA-N 1 3 270.377 -0.704 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001128786128 813798916 /nfs/dbraw/zinc/79/89/16/813798916.db2.gz RTDFJCBUKPRIDG-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001128786128 813798924 /nfs/dbraw/zinc/79/89/24/813798924.db2.gz RTDFJCBUKPRIDG-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001128784103 813799362 /nfs/dbraw/zinc/79/93/62/813799362.db2.gz LDSLVGUGCSQKOD-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001128784103 813799368 /nfs/dbraw/zinc/79/93/68/813799368.db2.gz LDSLVGUGCSQKOD-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328160 813836345 /nfs/dbraw/zinc/83/63/45/813836345.db2.gz MFXDGONJKPNDBG-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328160 813836357 /nfs/dbraw/zinc/83/63/57/813836357.db2.gz MFXDGONJKPNDBG-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCC1CC1)C1CC1 ZINC001129436081 813841310 /nfs/dbraw/zinc/84/13/10/813841310.db2.gz MHXRBALTYPGOPD-CQSZACIVSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435295 813841427 /nfs/dbraw/zinc/84/14/27/813841427.db2.gz DWSKJJLJTUBJSE-CQSZACIVSA-N 1 3 298.431 -0.101 20 0 CBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)C1CC1 ZINC001129436085 813841621 /nfs/dbraw/zinc/84/16/21/813841621.db2.gz MKPCPXDESHSVPP-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436953 813841814 /nfs/dbraw/zinc/84/18/14/813841814.db2.gz UANJWBUJSTTWHN-CYBMUJFWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437072 813841987 /nfs/dbraw/zinc/84/19/87/813841987.db2.gz VTCJFLNSWFERRT-CQSZACIVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001129435909 813842222 /nfs/dbraw/zinc/84/22/22/813842222.db2.gz JWXCZUYXDVBCNL-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435154 813842598 /nfs/dbraw/zinc/84/25/98/813842598.db2.gz CFYQAOBXUUCCKB-CYBMUJFWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436717 813843290 /nfs/dbraw/zinc/84/32/90/813843290.db2.gz RUQKKJCBZVYMRR-RISCZKNCSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)C1CC1 ZINC001129442693 813845385 /nfs/dbraw/zinc/84/53/85/813845385.db2.gz CZXYFEHZNFQGES-GFCCVEGCSA-N 1 3 297.403 -0.942 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001129531961 813849145 /nfs/dbraw/zinc/84/91/45/813849145.db2.gz NUSGHINTIQKNHT-VIFPVBQESA-N 1 3 256.350 -0.950 20 0 CBADHO CN(CC(=O)NCC[NH2+]CCN1CCCC1=O)C1CCC1 ZINC001129535467 813850672 /nfs/dbraw/zinc/85/06/72/813850672.db2.gz SUYCAHSCRPALMT-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)C1CCC1 ZINC001129535247 813850899 /nfs/dbraw/zinc/85/08/99/813850899.db2.gz MJCNFMJCMZFNPI-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532375 813851010 /nfs/dbraw/zinc/85/10/10/813851010.db2.gz ZKIWWIQOWHAIRJ-GFCCVEGCSA-N 1 3 273.377 -0.816 20 0 CBADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842003 813871358 /nfs/dbraw/zinc/87/13/58/813871358.db2.gz RQMVWRRMWNOHMJ-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129842003 813871364 /nfs/dbraw/zinc/87/13/64/813871364.db2.gz RQMVWRRMWNOHMJ-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)N(C)C ZINC001129950450 813881561 /nfs/dbraw/zinc/88/15/61/813881561.db2.gz USEDFNDOFQYHAA-AWEZNQCLSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC1CC1)[NH+](C)C ZINC001129947445 813881689 /nfs/dbraw/zinc/88/16/89/813881689.db2.gz ZVVQQUVNYWFYQO-ZDUSSCGKSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N(C)C)[NH+](C)C ZINC001129947012 813882230 /nfs/dbraw/zinc/88/22/30/813882230.db2.gz FJFWDDSSMSQOLG-LBPRGKRZSA-N 1 3 272.393 -0.633 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001129949664 813883221 /nfs/dbraw/zinc/88/32/21/813883221.db2.gz HGZTZCVDERFAEJ-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCNC1=O)[NH+](C)C ZINC001129947365 813883393 /nfs/dbraw/zinc/88/33/93/813883393.db2.gz WXBPKMBCELYUKV-QWRGUYRKSA-N 1 3 270.377 -0.833 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)[NH+](C)C ZINC001129947017 813883446 /nfs/dbraw/zinc/88/34/46/813883446.db2.gz FTBQRTJZCMUOJP-UWVGGRQHSA-N 1 3 258.366 -0.848 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001130203413 813918434 /nfs/dbraw/zinc/91/84/34/813918434.db2.gz KQWPKKXJGJPOAX-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001130205438 813919021 /nfs/dbraw/zinc/91/90/21/813919021.db2.gz LJHMLWGSWSWXTB-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130428014 813939430 /nfs/dbraw/zinc/93/94/30/813939430.db2.gz YTMNKNZSMUBGBS-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130428014 813939436 /nfs/dbraw/zinc/93/94/36/813939436.db2.gz YTMNKNZSMUBGBS-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001130427355 813939482 /nfs/dbraw/zinc/93/94/82/813939482.db2.gz MSWBJEDPCVZUSQ-SNVBAGLBSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001130427355 813939489 /nfs/dbraw/zinc/93/94/89/813939489.db2.gz MSWBJEDPCVZUSQ-SNVBAGLBSA-N 1 3 272.393 -0.443 20 0 CBADHO O=C(NCCNCCF)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520498 814037148 /nfs/dbraw/zinc/03/71/48/814037148.db2.gz ZRQWGKTVDPFABC-AKJDGMEZSA-N 1 3 271.336 -0.475 20 0 CBADHO O=C(NCCNCCF)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520498 814037157 /nfs/dbraw/zinc/03/71/57/814037157.db2.gz ZRQWGKTVDPFABC-AKJDGMEZSA-N 1 3 271.336 -0.475 20 0 CBADHO CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520235 814038567 /nfs/dbraw/zinc/03/85/67/814038567.db2.gz VOGAGUHAPIEIMD-UQJCBBSYSA-N 1 3 297.399 -0.410 20 0 CBADHO O=C(NCC[NH2+]CC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519624 814038724 /nfs/dbraw/zinc/03/87/24/814038724.db2.gz HXFPCVSCQAEZKH-JVWICGRDSA-N 1 3 279.384 -0.035 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786619 814069105 /nfs/dbraw/zinc/06/91/05/814069105.db2.gz YTZJVKNLTYBSDS-CYBMUJFWSA-N 1 3 282.388 -0.687 20 0 CBADHO C[NH+](C)C1(CC(=O)NCCN[C@@H]2CCNC2=O)CCCC1 ZINC001131836900 814073355 /nfs/dbraw/zinc/07/33/55/814073355.db2.gz GEXNOGCCOOYIMQ-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132287025 814122448 /nfs/dbraw/zinc/12/24/48/814122448.db2.gz RXYBEOMJCDRZES-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132992528 814205342 /nfs/dbraw/zinc/20/53/42/814205342.db2.gz AUOIBVUOFIPDQL-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132995506 814206848 /nfs/dbraw/zinc/20/68/48/814206848.db2.gz VYLDWSWPGSLVBK-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO CCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992817 814206930 /nfs/dbraw/zinc/20/69/30/814206930.db2.gz GKQMVDKQFQCKRN-UHFFFAOYSA-N 1 3 270.377 -0.830 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995569 814207496 /nfs/dbraw/zinc/20/74/96/814207496.db2.gz YTVBRHHFHBKIHO-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040461 814211450 /nfs/dbraw/zinc/21/14/50/814211450.db2.gz RXIUDZLCGHDCBK-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040426 814211765 /nfs/dbraw/zinc/21/17/65/814211765.db2.gz QKKDBLRFVGRYBA-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001133051507 814211820 /nfs/dbraw/zinc/21/18/20/814211820.db2.gz HKKNFZHNFFBTBV-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133051259 814212197 /nfs/dbraw/zinc/21/21/97/814212197.db2.gz BSEFXKPARVZLGR-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCC1CC1 ZINC001133040346 814212220 /nfs/dbraw/zinc/21/22/20/814212220.db2.gz MKIGSCKNOOXWAX-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CN(C(=O)CNCCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001133040576 814213030 /nfs/dbraw/zinc/21/30/30/814213030.db2.gz XNNOJFFIIPVREM-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285920 814235141 /nfs/dbraw/zinc/23/51/41/814235141.db2.gz OJUXDVBRBRPEIY-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001133286005 814235546 /nfs/dbraw/zinc/23/55/46/814235546.db2.gz SDGASXWNECTUFV-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133286991 814236327 /nfs/dbraw/zinc/23/63/27/814236327.db2.gz BELUHWRFKONBSV-UHFFFAOYSA-N 1 3 286.420 -0.194 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133288520 814236344 /nfs/dbraw/zinc/23/63/44/814236344.db2.gz YTBFEJDHYOMGGV-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001133418983 814252368 /nfs/dbraw/zinc/25/23/68/814252368.db2.gz HGZTZCVDERFAEJ-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCn1cncn1)N(C)C ZINC001133434011 814254153 /nfs/dbraw/zinc/25/41/53/814254153.db2.gz HGTGZSYYZMPVNJ-GFCCVEGCSA-N 1 3 282.392 -0.430 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684095 814287207 /nfs/dbraw/zinc/28/72/07/814287207.db2.gz CSQFKCORJVQKKI-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133833885 814301211 /nfs/dbraw/zinc/30/12/11/814301211.db2.gz ISEBQFAQWVKIOG-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133833885 814301219 /nfs/dbraw/zinc/30/12/19/814301219.db2.gz ISEBQFAQWVKIOG-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001133830748 814301792 /nfs/dbraw/zinc/30/17/92/814301792.db2.gz DFCFIHGCUASHNN-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001133830748 814301801 /nfs/dbraw/zinc/30/18/01/814301801.db2.gz DFCFIHGCUASHNN-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831945 814302331 /nfs/dbraw/zinc/30/23/31/814302331.db2.gz YHQSAQUAQGXRNH-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133831945 814302338 /nfs/dbraw/zinc/30/23/38/814302338.db2.gz YHQSAQUAQGXRNH-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133820150 814303056 /nfs/dbraw/zinc/30/30/56/814303056.db2.gz ZXJLJMKQMLMVSX-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831944 814303461 /nfs/dbraw/zinc/30/34/61/814303461.db2.gz YHQSAQUAQGXRNH-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133831944 814303469 /nfs/dbraw/zinc/30/34/69/814303469.db2.gz YHQSAQUAQGXRNH-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849831 814307016 /nfs/dbraw/zinc/30/70/16/814307016.db2.gz FCXIJIQPLFXSLX-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849831 814307023 /nfs/dbraw/zinc/30/70/23/814307023.db2.gz FCXIJIQPLFXSLX-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845430 814307266 /nfs/dbraw/zinc/30/72/66/814307266.db2.gz FTYDBSZQDPCZKM-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845430 814307274 /nfs/dbraw/zinc/30/72/74/814307274.db2.gz FTYDBSZQDPCZKM-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001133850373 814308270 /nfs/dbraw/zinc/30/82/70/814308270.db2.gz LOSWSKMPENXIKV-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001133850373 814308276 /nfs/dbraw/zinc/30/82/76/814308276.db2.gz LOSWSKMPENXIKV-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846295 814308518 /nfs/dbraw/zinc/30/85/18/814308518.db2.gz YECCYPKNSVKIPQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846295 814308526 /nfs/dbraw/zinc/30/85/26/814308526.db2.gz YECCYPKNSVKIPQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCc2ccnn2C)C1 ZINC001133854135 814309929 /nfs/dbraw/zinc/30/99/29/814309929.db2.gz YMNLHUWSXFQZFQ-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCc2ccnn2C)C1 ZINC001133854135 814309938 /nfs/dbraw/zinc/30/99/38/814309938.db2.gz YMNLHUWSXFQZFQ-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869713 814316691 /nfs/dbraw/zinc/31/66/91/814316691.db2.gz JYGWSQFBPOWYGF-JQWIXIFHSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869713 814316700 /nfs/dbraw/zinc/31/67/00/814316700.db2.gz JYGWSQFBPOWYGF-JQWIXIFHSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869712 814318946 /nfs/dbraw/zinc/31/89/46/814318946.db2.gz JYGWSQFBPOWYGF-CMPLNLGQSA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133869712 814318954 /nfs/dbraw/zinc/31/89/54/814318954.db2.gz JYGWSQFBPOWYGF-CMPLNLGQSA-N 1 3 282.388 -0.832 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133896671 814320011 /nfs/dbraw/zinc/32/00/11/814320011.db2.gz NWKZIHDLARLTQO-UHFFFAOYSA-N 1 3 294.403 -0.284 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133894002 814321197 /nfs/dbraw/zinc/32/11/97/814321197.db2.gz RRXGXDZSHALQNC-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001133965683 814330568 /nfs/dbraw/zinc/33/05/68/814330568.db2.gz DXUAXONQZCTOGT-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C ZINC001133968239 814330792 /nfs/dbraw/zinc/33/07/92/814330792.db2.gz SLZAXURYEGMLPW-JQWIXIFHSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCN1CCCC1=O)N(C)C ZINC001133965606 814331155 /nfs/dbraw/zinc/33/11/55/814331155.db2.gz AXGJRHVDXRSOJL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001133966201 814331298 /nfs/dbraw/zinc/33/12/98/814331298.db2.gz XGASLICBBWZNQT-ZJUUUORDSA-N 1 3 258.366 -0.833 20 0 CBADHO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001134613064 814400326 /nfs/dbraw/zinc/40/03/26/814400326.db2.gz RWMVQNPKAJSHIB-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001159917507 815605046 /nfs/dbraw/zinc/60/50/46/815605046.db2.gz XYGOLOXAXIOGBT-NEPJUHHUSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001159997109 815606100 /nfs/dbraw/zinc/60/61/00/815606100.db2.gz GQIUXGNSKOQXAX-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCO)C1CC1 ZINC001159931612 815606501 /nfs/dbraw/zinc/60/65/01/815606501.db2.gz GULHJZJHKQAFFJ-GFCCVEGCSA-N 1 3 257.378 -0.195 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCn1cncn1)C1CC1 ZINC001159932964 815606558 /nfs/dbraw/zinc/60/65/58/815606558.db2.gz WXBNCSYLAQMNMU-CYBMUJFWSA-N 1 3 294.403 -0.286 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)C1CCC1 ZINC001160003502 815607998 /nfs/dbraw/zinc/60/79/98/815607998.db2.gz RPJRQGAGKPORFS-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCOCCOC ZINC001135511704 814480636 /nfs/dbraw/zinc/48/06/36/814480636.db2.gz ZQGGRSHMCSHYEM-UHFFFAOYSA-N 1 3 275.393 -0.303 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001135510903 814480829 /nfs/dbraw/zinc/48/08/29/814480829.db2.gz IAHWEAIANLNZIS-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001135510805 814480914 /nfs/dbraw/zinc/48/09/14/814480914.db2.gz FTLGSGABVCEPLZ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]21 ZINC001160092918 815610433 /nfs/dbraw/zinc/61/04/33/815610433.db2.gz AMBJTVGJXPTNBF-QNWHQSFQSA-N 1 3 296.415 -0.328 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(N)=O)CC1 ZINC001146383110 814837614 /nfs/dbraw/zinc/83/76/14/814837614.db2.gz CNAWZNGNWMBYQQ-UHFFFAOYSA-N 1 3 270.377 -0.702 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595037 814841483 /nfs/dbraw/zinc/84/14/83/814841483.db2.gz WORPSIKWQBGMCP-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595067 814841518 /nfs/dbraw/zinc/84/15/18/814841518.db2.gz WORPSIKWQBGMCP-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001146710236 814843996 /nfs/dbraw/zinc/84/39/96/814843996.db2.gz GXAYQZKRVJLRNG-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146705839 814843831 /nfs/dbraw/zinc/84/38/31/814843831.db2.gz VHZWLTNKSQBYJI-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146705839 814843835 /nfs/dbraw/zinc/84/38/35/814843835.db2.gz VHZWLTNKSQBYJI-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001146710236 814843991 /nfs/dbraw/zinc/84/39/91/814843991.db2.gz GXAYQZKRVJLRNG-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719601 814845544 /nfs/dbraw/zinc/84/55/44/814845544.db2.gz RDXOLCWHIMXVGM-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719601 814845546 /nfs/dbraw/zinc/84/55/46/814845546.db2.gz RDXOLCWHIMXVGM-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001146719289 814845833 /nfs/dbraw/zinc/84/58/33/814845833.db2.gz ONAAKMKBPQKMKD-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001146719289 814845838 /nfs/dbraw/zinc/84/58/38/814845838.db2.gz ONAAKMKBPQKMKD-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001146989032 814862642 /nfs/dbraw/zinc/86/26/42/814862642.db2.gz BRBDXZQTEKCJSH-UHFFFAOYSA-N 1 3 252.278 -0.743 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826600 814917834 /nfs/dbraw/zinc/91/78/34/814917834.db2.gz YPIKQJIMJUSOOQ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159687456 815589492 /nfs/dbraw/zinc/58/94/92/815589492.db2.gz AWQLKDXRTHHXEC-MQYJIDSJSA-N 1 3 294.399 -0.334 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824394 814918381 /nfs/dbraw/zinc/91/83/81/814918381.db2.gz JGBFKYMNNCMZBS-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001147876969 814921260 /nfs/dbraw/zinc/92/12/60/814921260.db2.gz ATENGUVQCPFBKT-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147876969 814921265 /nfs/dbraw/zinc/92/12/65/814921265.db2.gz ATENGUVQCPFBKT-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877955 814922467 /nfs/dbraw/zinc/92/24/67/814922467.db2.gz QJFYDFBZGXFBND-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877955 814922471 /nfs/dbraw/zinc/92/24/71/814922471.db2.gz QJFYDFBZGXFBND-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878213 814922818 /nfs/dbraw/zinc/92/28/18/814922818.db2.gz VCSITMBETISWDK-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878213 814922821 /nfs/dbraw/zinc/92/28/21/814922821.db2.gz VCSITMBETISWDK-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001159925041 815604196 /nfs/dbraw/zinc/60/41/96/815604196.db2.gz NKILWSYQOYLPAR-MWLCHTKSSA-N 1 3 270.377 -0.704 20 0 CBADHO COCCN(C(=O)[C@@]1(N)CC[NH2+]C1)C1CCN(C)CC1 ZINC001160441270 815621996 /nfs/dbraw/zinc/62/19/96/815621996.db2.gz VZFJJQCIAQZROJ-CQSZACIVSA-N 1 3 284.404 -0.754 20 0 CBADHO COCCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C1CCN(C)CC1 ZINC001160441302 815622093 /nfs/dbraw/zinc/62/20/93/815622093.db2.gz WBKRRMYCTVRFGE-QWHCGFSZSA-N 1 3 285.388 -0.864 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N(CCO)Cc1cccs1 ZINC001160443477 815622488 /nfs/dbraw/zinc/62/24/88/815622488.db2.gz KXLHSXCHFVVFTG-GFCCVEGCSA-N 1 3 295.408 -0.122 20 0 CBADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)Cc2cncn2C)CC1 ZINC001160456306 815624943 /nfs/dbraw/zinc/62/49/43/815624943.db2.gz GRDRRKSIWSKPEC-ZDUSSCGKSA-N 1 3 279.388 -0.252 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160454777 815625659 /nfs/dbraw/zinc/62/56/59/815625659.db2.gz TZFINHKYINFROP-ZDUSSCGKSA-N 1 3 296.415 -0.883 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2cccc2C1 ZINC001160477054 815627780 /nfs/dbraw/zinc/62/77/80/815627780.db2.gz SEOLEHAJCMCYRI-LBPRGKRZSA-N 1 3 260.341 -0.361 20 0 CBADHO CC1(C)C(=O)NCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160478107 815628421 /nfs/dbraw/zinc/62/84/21/815628421.db2.gz LWGWUBQTWTZJEG-SNVBAGLBSA-N 1 3 268.361 -0.950 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2ncccc2C1 ZINC001160548473 815635916 /nfs/dbraw/zinc/63/59/16/815635916.db2.gz GWNKWKMIDAFTBG-NSHDSACASA-N 1 3 280.397 -0.015 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2ncccc2C1 ZINC001160549086 815637219 /nfs/dbraw/zinc/63/72/19/815637219.db2.gz PMDHXTWDOPYVGU-LBPRGKRZSA-N 1 3 272.352 -0.225 20 0 CBADHO CCOC(=O)[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596181 815642918 /nfs/dbraw/zinc/64/29/18/815642918.db2.gz LFEHALXKQDRFHG-VXGBXAGGSA-N 1 3 299.371 -0.896 20 0 CBADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160595502 815643111 /nfs/dbraw/zinc/64/31/11/815643111.db2.gz CPZVSUSMJFHLQH-MNOVXSKESA-N 1 3 287.360 -0.767 20 0 CBADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160634784 815646316 /nfs/dbraw/zinc/64/63/16/815646316.db2.gz DPBWKQBBRMYETL-BXUZGUMPSA-N 1 3 295.383 -0.403 20 0 CBADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160634785 815646701 /nfs/dbraw/zinc/64/67/01/815646701.db2.gz DPBWKQBBRMYETL-FZMZJTMJSA-N 1 3 295.383 -0.403 20 0 CBADHO CN(C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001160644508 815650295 /nfs/dbraw/zinc/65/02/95/815650295.db2.gz FETBGTNDRLYDFL-GWCFXTLKSA-N 1 3 252.362 -0.900 20 0 CBADHO CO[C@@H]1CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001160647246 815652087 /nfs/dbraw/zinc/65/20/87/815652087.db2.gz CMRWYSZGJJSDPV-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160656521 815652730 /nfs/dbraw/zinc/65/27/30/815652730.db2.gz YHZXOOGLNCETJX-BBBLOLIVSA-N 1 3 261.391 -0.623 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)C[C@H]1O ZINC001160652583 815652830 /nfs/dbraw/zinc/65/28/30/815652830.db2.gz HIEJVOAMYDLUJW-SGIHWFKDSA-N 1 3 295.305 -0.163 20 0 CBADHO CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160681186 815655719 /nfs/dbraw/zinc/65/57/19/815655719.db2.gz WVJVRAOPVYLHEZ-LLVKDONJSA-N 1 3 297.399 -0.014 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160683492 815657609 /nfs/dbraw/zinc/65/76/09/815657609.db2.gz MUKUHHYRFYQBNH-JTQLQIEISA-N 1 3 269.345 -0.983 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](N)CCCNC(N)=O ZINC001160695100 815658897 /nfs/dbraw/zinc/65/88/97/815658897.db2.gz IIBNYCQCKMJDKQ-WDEREUQCSA-N 1 3 285.392 -0.780 20 0 CBADHO CCN(CCn1cccn1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160694285 815659387 /nfs/dbraw/zinc/65/93/87/815659387.db2.gz UJNSLQQGEVHBRZ-NSHDSACASA-N 1 3 253.350 -0.202 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160718358 815664062 /nfs/dbraw/zinc/66/40/62/815664062.db2.gz GFTWHEODFLSTFP-QWRGUYRKSA-N 1 3 283.372 -0.120 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160718358 815664066 /nfs/dbraw/zinc/66/40/66/815664066.db2.gz GFTWHEODFLSTFP-QWRGUYRKSA-N 1 3 283.372 -0.120 20 0 CBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2CCC1CC2 ZINC001160726813 815664710 /nfs/dbraw/zinc/66/47/10/815664710.db2.gz WLCJCDSAIODOPJ-CQSZACIVSA-N 1 3 295.431 -0.957 20 0 CBADHO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCN2CCC1CC2 ZINC001160727105 815665793 /nfs/dbraw/zinc/66/57/93/815665793.db2.gz ZNOGPLMEWWUJHH-WCFLWFBJSA-N 1 3 264.373 -0.757 20 0 CBADHO CCN(CC(C)(C)O)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160755971 815667441 /nfs/dbraw/zinc/66/74/41/815667441.db2.gz WRPRGDGPGRXPPL-BXUZGUMPSA-N 1 3 269.389 -0.195 20 0 CBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C2 ZINC001160791824 815673539 /nfs/dbraw/zinc/67/35/39/815673539.db2.gz DSOCQJDVQNRADD-QEGBUVANSA-N 1 3 281.356 -0.809 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2nncc2C1 ZINC001160834002 815676521 /nfs/dbraw/zinc/67/65/21/815676521.db2.gz WXBZBGRADQSAQN-LBPRGKRZSA-N 1 3 290.371 -0.506 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2nncc2C1 ZINC001160834002 815676526 /nfs/dbraw/zinc/67/65/26/815676526.db2.gz WXBZBGRADQSAQN-LBPRGKRZSA-N 1 3 290.371 -0.506 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001160889973 815685868 /nfs/dbraw/zinc/68/58/68/815685868.db2.gz RRLLAEWBLFRFLK-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO O=C([C@@H]1C[C@@H](F)CCN1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915652 815686584 /nfs/dbraw/zinc/68/65/84/815686584.db2.gz IEHLGBNPBZINOF-ONGXEEELSA-N 1 3 279.319 -0.129 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N(CCO)CC(F)(F)F ZINC001160909372 815687050 /nfs/dbraw/zinc/68/70/50/815687050.db2.gz SZHFSMOQJQBLNJ-QMMMGPOBSA-N 1 3 281.278 -0.821 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909273 815687070 /nfs/dbraw/zinc/68/70/70/815687070.db2.gz QZZSTYPLAAVEBV-SSDOTTSWSA-N 1 3 257.256 -0.564 20 0 CBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160902587 815687221 /nfs/dbraw/zinc/68/72/21/815687221.db2.gz UDGJPIMYOADIKH-VIFPVBQESA-N 1 3 295.343 -0.922 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001161031395 815699644 /nfs/dbraw/zinc/69/96/44/815699644.db2.gz CYNIDPUELVQHLT-LLVKDONJSA-N 1 3 284.429 -0.162 20 0 CBADHO CN(C(=O)[C@@H](N)CC[S@](C)=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060233 815705483 /nfs/dbraw/zinc/70/54/83/815705483.db2.gz ALDLXHYGTODNTE-ZVUJNLJXSA-N 1 3 275.418 -0.189 20 0 CBADHO CN(C(=O)[C@H]1CNCCN1C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161061601 815705750 /nfs/dbraw/zinc/70/57/50/815705750.db2.gz HOROOOSGTGLOBO-GRYCIOLGSA-N 1 3 254.378 -0.382 20 0 CBADHO CN(C(=O)[C@@H](N)Cc1c[nH]cn1)C1(C)CC[NH2+]CC1 ZINC001161068918 815707543 /nfs/dbraw/zinc/70/75/43/815707543.db2.gz XYJKOJNNKVWNIZ-NSHDSACASA-N 1 3 265.361 -0.120 20 0 CBADHO CN(C(=O)[C@@H](N)Cc1cnc[nH]1)C1(C)CC[NH2+]CC1 ZINC001161068918 815707547 /nfs/dbraw/zinc/70/75/47/815707547.db2.gz XYJKOJNNKVWNIZ-NSHDSACASA-N 1 3 265.361 -0.120 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]21 ZINC001161080989 815709683 /nfs/dbraw/zinc/70/96/83/815709683.db2.gz AUZHPRYCABPCQD-NWDGAFQWSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001161081419 815709832 /nfs/dbraw/zinc/70/98/32/815709832.db2.gz JOIWSQSUSRNVCF-WYUUTHIRSA-N 1 3 253.346 -0.881 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001161082044 815710965 /nfs/dbraw/zinc/71/09/65/815710965.db2.gz NJWKLGLBOCUEQN-BJDJZHNGSA-N 1 3 253.346 -0.738 20 0 CBADHO CO[C@H](C)C1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161145731 815721826 /nfs/dbraw/zinc/72/18/26/815721826.db2.gz HUKPGJQDWLXEDZ-BXKDBHETSA-N 1 3 255.362 -0.193 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(O)CC1 ZINC001161178429 815726596 /nfs/dbraw/zinc/72/65/96/815726596.db2.gz OVLLCWCECWBQLB-GFCCVEGCSA-N 1 3 267.373 -0.156 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(O)CC1 ZINC001161178429 815726600 /nfs/dbraw/zinc/72/66/00/815726600.db2.gz OVLLCWCECWBQLB-GFCCVEGCSA-N 1 3 267.373 -0.156 20 0 CBADHO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H]1CCC2(C1)OCCO2 ZINC001161219205 815728595 /nfs/dbraw/zinc/72/85/95/815728595.db2.gz OIDSVRLWFWSMMH-VXGBXAGGSA-N 1 3 295.383 -0.451 20 0 CBADHO C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[C@H](C)N1 ZINC001161229788 815730066 /nfs/dbraw/zinc/73/00/66/815730066.db2.gz VYBVRNAKEYJORO-ZPFDUUQYSA-N 1 3 252.362 -0.853 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H](n2ccnn2)C1 ZINC001161234318 815730213 /nfs/dbraw/zinc/73/02/13/815730213.db2.gz AMOXGGXWEKMQKA-NWDGAFQWSA-N 1 3 290.371 -0.749 20 0 CBADHO CNC(=O)NC1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161267985 815735624 /nfs/dbraw/zinc/73/56/24/815735624.db2.gz AQPSNEBYKDPSDX-NSHDSACASA-N 1 3 285.392 -0.637 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161295547 815737241 /nfs/dbraw/zinc/73/72/41/815737241.db2.gz LIRFYEROUZIECQ-NWDGAFQWSA-N 1 3 293.371 -0.087 20 0 CBADHO CCN(C(=O)[C@H](N)Cc1c[nH]cn1)[C@@H]1CCC[NH2+]C1 ZINC001161329189 815741780 /nfs/dbraw/zinc/74/17/80/815741780.db2.gz WHCTXJHKBMLQBN-VXGBXAGGSA-N 1 3 265.361 -0.120 20 0 CBADHO NC1(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CC1 ZINC001161377608 815748717 /nfs/dbraw/zinc/74/87/17/815748717.db2.gz IWIBHYJYRMMVNZ-NSHDSACASA-N 1 3 252.362 -0.498 20 0 CBADHO N=c1ncc(C[NH3+])cn1-c1cc2c(nn1)CCNC2 ZINC001161415885 815752537 /nfs/dbraw/zinc/75/25/37/815752537.db2.gz PLZZZQSBXWMJIV-UHFFFAOYSA-N 1 3 257.301 -0.754 20 0 CBADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]21 ZINC001161481188 815758597 /nfs/dbraw/zinc/75/85/97/815758597.db2.gz CTQZLYZGZYZODZ-RWMBFGLXSA-N 1 3 296.415 -0.088 20 0 CBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1(N)CC1)CC2 ZINC001161481920 815758888 /nfs/dbraw/zinc/75/88/88/815758888.db2.gz ZLWLOJRDTQQMBP-SKDRFNHKSA-N 1 3 267.329 -0.769 20 0 CBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)C[C@@H](C)O1 ZINC001161497758 815763561 /nfs/dbraw/zinc/76/35/61/815763561.db2.gz CZZIZAICRYGXCH-BZPMIXESSA-N 1 3 298.431 -0.237 20 0 CBADHO Cc1nc2c(o1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001161523482 815766673 /nfs/dbraw/zinc/76/66/73/815766673.db2.gz MTLFOHWBEYHWNL-JTQLQIEISA-N 1 3 276.340 -0.323 20 0 CBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161567665 815770957 /nfs/dbraw/zinc/77/09/57/815770957.db2.gz ZOTBOZDHADDPNP-QWRGUYRKSA-N 1 3 287.360 -0.767 20 0 CBADHO COCCOC1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161572378 815772919 /nfs/dbraw/zinc/77/29/19/815772919.db2.gz LZXFUNNSFJWNOX-ZDUSSCGKSA-N 1 3 287.404 -0.081 20 0 CBADHO NCc1cn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)cn1 ZINC001162301938 815811726 /nfs/dbraw/zinc/81/17/26/815811726.db2.gz GKVYRVVONPBZCM-LLVKDONJSA-N 1 3 260.301 -0.138 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872086 815847101 /nfs/dbraw/zinc/84/71/01/815847101.db2.gz GHZMGNVQLSVEMD-MBHSVXNSSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872085 815847499 /nfs/dbraw/zinc/84/74/99/815847499.db2.gz GHZMGNVQLSVEMD-LXVYMNJGSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCOc2c1cnnc2NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163102045 815860240 /nfs/dbraw/zinc/86/02/40/815860240.db2.gz JQWKANSBGJQLHZ-CKYFFXLPSA-N 1 3 291.355 -0.049 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc2c(n1)CCNC2 ZINC001163438451 815886135 /nfs/dbraw/zinc/88/61/35/815886135.db2.gz JCQZWNCVFIUNRP-LBPRGKRZSA-N 1 3 292.387 -0.222 20 0 CBADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCOCCO)C1 ZINC001316939781 816904474 /nfs/dbraw/zinc/90/44/74/816904474.db2.gz ARXSKVTWVQCJMO-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCOCCO)C1 ZINC001316939781 816904480 /nfs/dbraw/zinc/90/44/80/816904480.db2.gz ARXSKVTWVQCJMO-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCO ZINC001317407955 816973700 /nfs/dbraw/zinc/97/37/00/816973700.db2.gz ZUTXBIZZPSODCL-NWDGAFQWSA-N 1 3 257.378 -0.195 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001317511454 817000149 /nfs/dbraw/zinc/00/01/49/817000149.db2.gz ASXKXQBYCJCJFN-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001317511454 817000151 /nfs/dbraw/zinc/00/01/51/817000151.db2.gz ASXKXQBYCJCJFN-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCCO)C1 ZINC001317625812 817033754 /nfs/dbraw/zinc/03/37/54/817033754.db2.gz JPARDTDZQLTWNI-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCOCCO)C1 ZINC001318422687 817108725 /nfs/dbraw/zinc/10/87/25/817108725.db2.gz AGCJZOMDPPDRGN-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320755660 817387079 /nfs/dbraw/zinc/38/70/79/817387079.db2.gz KVDURXQDTXRYMV-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001320755660 817387091 /nfs/dbraw/zinc/38/70/91/817387091.db2.gz KVDURXQDTXRYMV-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320810923 817396709 /nfs/dbraw/zinc/39/67/09/817396709.db2.gz GQRUSWUCWJLCLR-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)CC[NH+](C)C ZINC001320830388 817399510 /nfs/dbraw/zinc/39/95/10/817399510.db2.gz NQCISJJNOZAPMV-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321057606 817436887 /nfs/dbraw/zinc/43/68/87/817436887.db2.gz QUDQUXKDJQFHSN-WWKJKZQJSA-N 1 3 296.415 -0.005 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321057606 817436890 /nfs/dbraw/zinc/43/68/90/817436890.db2.gz QUDQUXKDJQFHSN-WWKJKZQJSA-N 1 3 296.415 -0.005 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321057603 817436917 /nfs/dbraw/zinc/43/69/17/817436917.db2.gz QUDQUXKDJQFHSN-AIMRDXAKSA-N 1 3 296.415 -0.005 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321057603 817436919 /nfs/dbraw/zinc/43/69/19/817436919.db2.gz QUDQUXKDJQFHSN-AIMRDXAKSA-N 1 3 296.415 -0.005 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001321220709 817464187 /nfs/dbraw/zinc/46/41/87/817464187.db2.gz CCJFXVZYMXOVFB-GZTOBOFZSA-N 1 3 270.377 -0.665 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001321349736 817487225 /nfs/dbraw/zinc/48/72/25/817487225.db2.gz KZNDDUYWWQAURQ-QHDQMSKJSA-N 1 3 284.404 -0.292 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321418827 817496654 /nfs/dbraw/zinc/49/66/54/817496654.db2.gz JVEWGQKLGVUQOS-JQSFKPKSSA-N 1 3 296.415 -0.003 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001321418827 817496661 /nfs/dbraw/zinc/49/66/61/817496661.db2.gz JVEWGQKLGVUQOS-JQSFKPKSSA-N 1 3 296.415 -0.003 20 0 CBADHO NCCS(=O)(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001238485096 825555053 /nfs/dbraw/zinc/55/50/53/825555053.db2.gz KPTGMIHXXZVCCS-QWRGUYRKSA-N 1 3 261.391 -0.213 20 0 CBADHO Cc1nc(CCNC[C@H](O)C[NH2+]C(C)(C)C)n[nH]1 ZINC001253406759 825913778 /nfs/dbraw/zinc/91/37/78/825913778.db2.gz VQGZKZCORUEYSY-JTQLQIEISA-N 1 3 255.366 -0.006 20 0 CBADHO Cc1n[nH]c(CCNC[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC001253406759 825913788 /nfs/dbraw/zinc/91/37/88/825913788.db2.gz VQGZKZCORUEYSY-JTQLQIEISA-N 1 3 255.366 -0.006 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001163821798 819853548 /nfs/dbraw/zinc/85/35/48/819853548.db2.gz QFNCIBOJCDTVGF-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001163822087 819853937 /nfs/dbraw/zinc/85/39/37/819853937.db2.gz RTASLVNNKIDFAS-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)C1CN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001163933297 819870045 /nfs/dbraw/zinc/87/00/45/819870045.db2.gz DOMURMBOCDMYLO-UHFFFAOYSA-N 1 3 262.361 -0.364 20 0 CBADHO CN(c1ccccc1CC[NH3+])S(=O)(=O)CCN ZINC001164297020 819903863 /nfs/dbraw/zinc/90/38/63/819903863.db2.gz HGPZEGVGLDTOBO-UHFFFAOYSA-N 1 3 257.359 -0.088 20 0 CBADHO c1nc2c(c(N3CC[C@@H]4NCCO[C@H]4C3)n1)CC[NH2+]CC2 ZINC001165269895 819946942 /nfs/dbraw/zinc/94/69/42/819946942.db2.gz SXQLBXQTHANPQD-KBPBESRZSA-N 1 3 289.383 -0.268 20 0 CBADHO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc2c(n1)CNC2 ZINC001165438095 819964307 /nfs/dbraw/zinc/96/43/07/819964307.db2.gz COZNWBDMENBZRW-JTQLQIEISA-N 1 3 263.301 -0.969 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004022 819988087 /nfs/dbraw/zinc/98/80/87/819988087.db2.gz BSDHIYVLVLDDHT-GFCCVEGCSA-N 1 3 272.393 -0.586 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001166633679 820009046 /nfs/dbraw/zinc/00/90/46/820009046.db2.gz JIYMUSPCSDDUFO-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001166634174 820009210 /nfs/dbraw/zinc/00/92/10/820009210.db2.gz PZHMJVNTLFLRJY-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001166626638 820009933 /nfs/dbraw/zinc/00/99/33/820009933.db2.gz IIHLMDGGQTZEEQ-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001166626164 820010634 /nfs/dbraw/zinc/01/06/34/820010634.db2.gz BVDLXVPFDQPSND-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001166668251 820013048 /nfs/dbraw/zinc/01/30/48/820013048.db2.gz WVKIGCFPSCRDAB-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678136 820013205 /nfs/dbraw/zinc/01/32/05/820013205.db2.gz SWAWYXZQWSGAAD-STQMWFEESA-N 1 3 287.404 -0.569 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2cnnn2C)C1 ZINC001166667473 820013863 /nfs/dbraw/zinc/01/38/63/820013863.db2.gz BRQDTGUDKZHSQV-LBPRGKRZSA-N 1 3 294.403 -0.247 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708641 820019396 /nfs/dbraw/zinc/01/93/96/820019396.db2.gz VLMIJRITPMPCQC-WCQYABFASA-N 1 3 294.403 -0.391 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708641 820019404 /nfs/dbraw/zinc/01/94/04/820019404.db2.gz VLMIJRITPMPCQC-WCQYABFASA-N 1 3 294.403 -0.391 20 0 CBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCO)C1 ZINC001166736750 820033408 /nfs/dbraw/zinc/03/34/08/820033408.db2.gz SMQHOANNZANGQM-UHFFFAOYSA-N 1 3 257.378 -0.194 20 0 CBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166765158 820034439 /nfs/dbraw/zinc/03/44/39/820034439.db2.gz UZKIMYISIJDHMW-UHFFFAOYSA-N 1 3 270.377 -0.701 20 0 CBADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001167051615 820062689 /nfs/dbraw/zinc/06/26/89/820062689.db2.gz UYKGQJMBQUVHSC-CYBMUJFWSA-N 1 3 298.431 -0.066 20 0 CBADHO OC[C@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)[C@H](O)[C@@H]1O ZINC001168356691 820158688 /nfs/dbraw/zinc/15/86/88/820158688.db2.gz SUXDWDSERAJZNG-NGFQHRJXSA-N 1 3 284.400 -0.447 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001168755094 820174326 /nfs/dbraw/zinc/17/43/26/820174326.db2.gz ICBBZHJLUSBTAQ-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001168762752 820180289 /nfs/dbraw/zinc/18/02/89/820180289.db2.gz IEJCHLSVYYQPDC-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001168762755 820180839 /nfs/dbraw/zinc/18/08/39/820180839.db2.gz IEJCHLSVYYQPDC-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1ncnc2c1CNCC2 ZINC001168983256 820198586 /nfs/dbraw/zinc/19/85/86/820198586.db2.gz LBQDQWLIJLGURG-UHFFFAOYSA-N 1 3 259.317 -0.487 20 0 CBADHO CN1[C@@H]2CC[C@H]1C[C@H](N(C1C[NH2+]C1)S(C)(=O)=O)C2 ZINC001169146640 820212953 /nfs/dbraw/zinc/21/29/53/820212953.db2.gz QRKGFOHQYIPNDN-JGPRNRPPSA-N 1 3 273.402 -0.155 20 0 CBADHO C[C@@H]1CN(c2ccc(-n3nncc3CN)nn2)CC[NH2+]1 ZINC001169307756 820226344 /nfs/dbraw/zinc/22/63/44/820226344.db2.gz CYBADVYSKSCCOE-SECBINFHSA-N 1 3 274.332 -0.686 20 0 CBADHO NCc1cnnn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001169308891 820226804 /nfs/dbraw/zinc/22/68/04/820226804.db2.gz UTMRZYOFARIUTC-UHFFFAOYSA-N 1 3 289.343 -0.009 20 0 CBADHO NCc1cnnn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169310512 820227064 /nfs/dbraw/zinc/22/70/64/820227064.db2.gz ZNDARGHLRNCMEJ-JTQLQIEISA-N 1 3 261.289 -0.743 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@H](NC[C@H](C[NH3+])C(=O)OC)CO1 ZINC001169334485 820238935 /nfs/dbraw/zinc/23/89/35/820238935.db2.gz LGDRWCFWNRMPJH-DCAQKATOSA-N 1 3 288.344 -0.565 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCN(C(C)=O)C1 ZINC001169531537 820252160 /nfs/dbraw/zinc/25/21/60/820252160.db2.gz GTHKUEWFGRFOQA-NEPJUHHUSA-N 1 3 270.377 -0.560 20 0 CBADHO CN1CCN(c2nccnc2N[C@H](N)CCC[NH3+])CC1 ZINC001170898271 820333432 /nfs/dbraw/zinc/33/34/32/820333432.db2.gz ROGANJKOOYXOKV-NSHDSACASA-N 1 3 279.392 -0.336 20 0 CBADHO Cn1cc(Br)nc(N[C@@H](N)CCC[NH3+])c1=O ZINC001170900736 820334721 /nfs/dbraw/zinc/33/47/21/820334721.db2.gz XTUHWBRIBUYMEA-SSDOTTSWSA-N 1 3 290.165 -0.022 20 0 CBADHO COCCn1cc(N[C@@H](N)CCC[NH3+])ncc1=O ZINC001170903229 820335939 /nfs/dbraw/zinc/33/59/39/820335939.db2.gz IDDUOPWQQSVOKR-SECBINFHSA-N 1 3 255.322 -0.675 20 0 CBADHO [NH3+]CCN1CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005903 820374306 /nfs/dbraw/zinc/37/43/06/820374306.db2.gz PWWZGGMFTYWGFM-CYBMUJFWSA-N 1 3 266.389 -0.284 20 0 CBADHO COCCC[NH+]1CCC(N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001172251123 820391750 /nfs/dbraw/zinc/39/17/50/820391750.db2.gz BDLSVPFZZXYCAN-GXTWGEPZSA-N 1 3 272.389 -0.228 20 0 CBADHO COCCC[NH+]1CCC(N2C[C@H](O)[C@H](CO)C2)CC1 ZINC001172251124 820391814 /nfs/dbraw/zinc/39/18/14/820391814.db2.gz BDLSVPFZZXYCAN-JSGCOSHPSA-N 1 3 272.389 -0.228 20 0 CBADHO [NH3+]C[C@@H](O)CNC1CCN(CC(F)(F)F)CC1 ZINC001173659010 820406911 /nfs/dbraw/zinc/40/69/11/820406911.db2.gz VPHHYFHIGQZKMU-SECBINFHSA-N 1 3 255.284 -0.078 20 0 CBADHO [NH3+]C[C@H](O)CNC1CCN(CC(F)(F)F)CC1 ZINC001173659011 820407034 /nfs/dbraw/zinc/40/70/34/820407034.db2.gz VPHHYFHIGQZKMU-VIFPVBQESA-N 1 3 255.284 -0.078 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCOCCO ZINC001176972356 820484704 /nfs/dbraw/zinc/48/47/04/820484704.db2.gz XUNJZQOSMFQAGA-UHFFFAOYSA-N 1 3 275.393 -0.569 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972269 820485132 /nfs/dbraw/zinc/48/51/32/820485132.db2.gz UGJWPODIWBSZAE-GFCCVEGCSA-N 1 3 275.393 -0.570 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972390 820485243 /nfs/dbraw/zinc/48/52/43/820485243.db2.gz ZCMSZVAYKZTDGG-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001176986249 820485306 /nfs/dbraw/zinc/48/53/06/820485306.db2.gz IVJNGCYUDCYTBO-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356115 820577406 /nfs/dbraw/zinc/57/74/06/820577406.db2.gz IDFIBRJZRMZGSP-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178360846 820578872 /nfs/dbraw/zinc/57/88/72/820578872.db2.gz RFPNNGNPHIHYSV-XUXIUFHCSA-N 1 3 299.415 -0.333 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179618063 820636930 /nfs/dbraw/zinc/63/69/30/820636930.db2.gz ZGAIKKBEGSFAIB-UHTWSYAYSA-N 1 3 296.371 -0.462 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124238 820650411 /nfs/dbraw/zinc/65/04/11/820650411.db2.gz GMSIVRYMPDBUFK-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124238 820650417 /nfs/dbraw/zinc/65/04/17/820650417.db2.gz GMSIVRYMPDBUFK-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135934 820651514 /nfs/dbraw/zinc/65/15/14/820651514.db2.gz OLFLXGXWTRWLFQ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)N1CCCC1 ZINC001180586998 820697140 /nfs/dbraw/zinc/69/71/40/820697140.db2.gz WWCATSQUJFRMJT-SNVBAGLBSA-N 1 3 288.352 -0.865 20 0 CBADHO CN1CCC[C@H](NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612509 820700205 /nfs/dbraw/zinc/70/02/05/820700205.db2.gz PWVMFXUTNZIZHQ-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181651727 820807946 /nfs/dbraw/zinc/80/79/46/820807946.db2.gz FXQJTZSTQLKTCT-CHWSQXEVSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001182015655 820848268 /nfs/dbraw/zinc/84/82/68/820848268.db2.gz OZDLLGACJYJXNP-ZDUSSCGKSA-N 1 3 281.400 -0.099 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC(=O)[C@H]1C ZINC001182091965 820869665 /nfs/dbraw/zinc/86/96/65/820869665.db2.gz IZSAXUNTXWOBGG-VHSXEESVSA-N 1 3 284.360 -0.141 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001183267836 820985994 /nfs/dbraw/zinc/98/59/94/820985994.db2.gz ONGSBFGTQTUPCS-ZIAGYGMSSA-N 1 3 299.415 -0.474 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289420 820989954 /nfs/dbraw/zinc/98/99/54/820989954.db2.gz XFFJDMIUEKEEEC-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289461 820990094 /nfs/dbraw/zinc/99/00/94/820990094.db2.gz YURGNVBOSSFAGZ-OCCSQVGLSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001183582374 821007217 /nfs/dbraw/zinc/00/72/17/821007217.db2.gz WRCSFPHQAGPACT-JHJVBQTASA-N 1 3 298.431 -0.006 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001183580992 821007859 /nfs/dbraw/zinc/00/78/59/821007859.db2.gz CEERSULUDJUWBI-JHJVBQTASA-N 1 3 287.404 -0.476 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001183582375 821008255 /nfs/dbraw/zinc/00/82/55/821008255.db2.gz WRCSFPHQAGPACT-YNEHKIRRSA-N 1 3 298.431 -0.006 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001184868401 821091354 /nfs/dbraw/zinc/09/13/54/821091354.db2.gz RPCFZCYUZVLNAX-YNEHKIRRSA-N 1 3 296.415 -0.252 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001185249061 821111935 /nfs/dbraw/zinc/11/19/35/821111935.db2.gz MNJYNCGXYIIQPW-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385200 821127318 /nfs/dbraw/zinc/12/73/18/821127318.db2.gz MDGBIIXRIWTKBG-CYBMUJFWSA-N 1 3 296.415 -0.393 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001185408396 821129471 /nfs/dbraw/zinc/12/94/71/821129471.db2.gz RMOAPODHEGMDSO-LLVKDONJSA-N 1 3 291.417 -0.827 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+](CC)CC ZINC001185609570 821135528 /nfs/dbraw/zinc/13/55/28/821135528.db2.gz KWGBPWCSRGTKEO-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650081 821136196 /nfs/dbraw/zinc/13/61/96/821136196.db2.gz BXKXVMPBYKAJGS-BFHYXJOUSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650082 821137369 /nfs/dbraw/zinc/13/73/69/821137369.db2.gz BXKXVMPBYKAJGS-MCIONIFRSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659688 821138793 /nfs/dbraw/zinc/13/87/93/821138793.db2.gz OJWVAXVFYJOHAJ-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659688 821138800 /nfs/dbraw/zinc/13/88/00/821138800.db2.gz OJWVAXVFYJOHAJ-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001185715589 821140906 /nfs/dbraw/zinc/14/09/06/821140906.db2.gz FZHXWCOSVWRVJT-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO COC(=O)[C@H]1CCN(CC(=O)N2CC3(C2)C[NH+](C)C3)C1 ZINC001186107750 821169990 /nfs/dbraw/zinc/16/99/90/821169990.db2.gz QUBAYKBKSGOOOP-NSHDSACASA-N 1 3 281.356 -0.745 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186487206 821184191 /nfs/dbraw/zinc/18/41/91/821184191.db2.gz IHLLEKHPWLKUIF-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001186497007 821185774 /nfs/dbraw/zinc/18/57/74/821185774.db2.gz WOWVMMDAPZVJHA-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121051 821211838 /nfs/dbraw/zinc/21/18/38/821211838.db2.gz AKSLKSBHISZNDT-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CN(CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001280595721 828364123 /nfs/dbraw/zinc/36/41/23/828364123.db2.gz OQHHQMBYFXWBAH-CQSZACIVSA-N 1 3 299.415 -0.330 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001280679587 828370829 /nfs/dbraw/zinc/37/08/29/828370829.db2.gz DIZVZDRCJKNCGE-CYBMUJFWSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001280679589 828371109 /nfs/dbraw/zinc/37/11/09/828371109.db2.gz DIZVZDRCJKNCGE-ZDUSSCGKSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001187306416 822264555 /nfs/dbraw/zinc/26/45/55/822264555.db2.gz IGTHMYHXDPVPAM-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO COCc1oncc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001188332101 822329287 /nfs/dbraw/zinc/32/92/87/822329287.db2.gz SNXRWSJNTCAYPE-UHFFFAOYSA-N 1 3 269.305 -0.104 20 0 CBADHO COCC[NH2+][C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001283806039 828551469 /nfs/dbraw/zinc/55/14/69/828551469.db2.gz URYGDPYTCAWIPK-VXGBXAGGSA-N 1 3 273.377 -0.959 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001189054257 823730959 /nfs/dbraw/zinc/73/09/59/823730959.db2.gz BGQBSIWXOQTIBC-UONOGXRCSA-N 1 3 299.415 -0.520 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001189401324 823752700 /nfs/dbraw/zinc/75/27/00/823752700.db2.gz VBRQEJXOXRVJBA-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001189401324 823752705 /nfs/dbraw/zinc/75/27/05/823752705.db2.gz VBRQEJXOXRVJBA-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(CCOCCO)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169601 823952310 /nfs/dbraw/zinc/95/23/10/823952310.db2.gz BDJZZXFPYIIEBD-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+](C)C ZINC001284445314 828596488 /nfs/dbraw/zinc/59/64/88/828596488.db2.gz RLBXNCWTSXFYJN-VXGBXAGGSA-N 1 3 277.384 -0.049 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001194293305 824069123 /nfs/dbraw/zinc/06/91/23/824069123.db2.gz FVVSNEUEROHNEE-GFCCVEGCSA-N 1 3 257.378 -0.148 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001194293305 824069127 /nfs/dbraw/zinc/06/91/27/824069127.db2.gz FVVSNEUEROHNEE-GFCCVEGCSA-N 1 3 257.378 -0.148 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677164 824128009 /nfs/dbraw/zinc/12/80/09/824128009.db2.gz NUTPVCWZCORIFE-VXGBXAGGSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859399 824134589 /nfs/dbraw/zinc/13/45/89/824134589.db2.gz IPBDKUWXVBNPTI-QJPTWQEYSA-N 1 3 275.368 -0.153 20 0 CBADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859389 824134604 /nfs/dbraw/zinc/13/46/04/824134604.db2.gz IPBDKUWXVBNPTI-IJLUTSLNSA-N 1 3 275.368 -0.153 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320055 824187652 /nfs/dbraw/zinc/18/76/52/824187652.db2.gz UQVODZDBVODJJQ-ZIAGYGMSSA-N 1 3 299.415 -0.332 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198655025 824234654 /nfs/dbraw/zinc/23/46/54/824234654.db2.gz YKMQYQIVTPOCQV-YNEHKIRRSA-N 1 3 285.388 -0.864 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198655025 824234662 /nfs/dbraw/zinc/23/46/62/824234662.db2.gz YKMQYQIVTPOCQV-YNEHKIRRSA-N 1 3 285.388 -0.864 20 0 CBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788092 824287914 /nfs/dbraw/zinc/28/79/14/824287914.db2.gz LIFHVCYJKSHQPO-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788458 824288686 /nfs/dbraw/zinc/28/86/86/824288686.db2.gz QSBMNXYMBGAQPL-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788457 824289139 /nfs/dbraw/zinc/28/91/39/824289139.db2.gz QSBMNXYMBGAQPL-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066150 824327087 /nfs/dbraw/zinc/32/70/87/824327087.db2.gz HFLKWUVENFERJL-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667349 824350550 /nfs/dbraw/zinc/35/05/50/824350550.db2.gz IUDLMZOSYYCWOM-UHFFFAOYSA-N 1 3 293.371 -0.331 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203005161 824356833 /nfs/dbraw/zinc/35/68/33/824356833.db2.gz MFVVOPPMWQCIGM-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO N[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C1 ZINC001204882982 824372541 /nfs/dbraw/zinc/37/25/41/824372541.db2.gz ZKDOOLZAFGXOSJ-AWEZNQCLSA-N 1 3 286.339 -0.075 20 0 CBADHO Cn1cc(CN2CCC[C@@](C)([NH3+])CC2)c(=O)n(C)c1=O ZINC001205280628 824376640 /nfs/dbraw/zinc/37/66/40/824376640.db2.gz DSNPKFNJJQCVRM-CQSZACIVSA-N 1 3 280.372 -0.213 20 0 CBADHO [NH3+]C[C@]1(O)CCCN(Cc2cnc3n2CCNC3)CC1 ZINC001205256892 824377017 /nfs/dbraw/zinc/37/70/17/824377017.db2.gz RWOMFYGFNQXGLE-AWEZNQCLSA-N 1 3 279.388 -0.338 20 0 CBADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001205515916 824379454 /nfs/dbraw/zinc/37/94/54/824379454.db2.gz FWQQJYIOTVJATQ-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673898 824380756 /nfs/dbraw/zinc/38/07/56/824380756.db2.gz VKQANCYDNJGQKQ-CYBMUJFWSA-N 1 3 282.344 -0.128 20 0 CBADHO [NH3+]C[C@H]1CN(Cc2nc3c(s2)CNCC3)C[C@H]1O ZINC001206480740 824401031 /nfs/dbraw/zinc/40/10/31/824401031.db2.gz JHGHKDKFNPGHKW-WCBMZHEXSA-N 1 3 268.386 -0.460 20 0 CBADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206890330 824408887 /nfs/dbraw/zinc/40/88/87/824408887.db2.gz LUOWPCQURBFTDL-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684268 824433966 /nfs/dbraw/zinc/43/39/66/824433966.db2.gz LYZANHRNYADXIW-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688011 824434273 /nfs/dbraw/zinc/43/42/73/824434273.db2.gz KYECMCRLBMCKKT-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001208410547 824451807 /nfs/dbraw/zinc/45/18/07/824451807.db2.gz BGZCKERQOBKARM-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448229 824453627 /nfs/dbraw/zinc/45/36/27/824453627.db2.gz XTHGMNRLUVPAMK-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445039 824470501 /nfs/dbraw/zinc/47/05/01/824470501.db2.gz JWZIFRUBVPDMKY-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001209445296 824471132 /nfs/dbraw/zinc/47/11/32/824471132.db2.gz LQOKJEBCZIZVIE-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001209447122 824471805 /nfs/dbraw/zinc/47/18/05/824471805.db2.gz XPQYHOATASJOQS-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454580 824471904 /nfs/dbraw/zinc/47/19/04/824471904.db2.gz MHKOOAWWOCFQDH-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454625 824471955 /nfs/dbraw/zinc/47/19/55/824471955.db2.gz MTHAKRXBTGPQRE-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209632143 824473756 /nfs/dbraw/zinc/47/37/56/824473756.db2.gz KGGYWLULCDOGAH-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674443 824480457 /nfs/dbraw/zinc/48/04/57/824480457.db2.gz WHFJKNUTPNAJEN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674443 824480460 /nfs/dbraw/zinc/48/04/60/824480460.db2.gz WHFJKNUTPNAJEN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674133 824480583 /nfs/dbraw/zinc/48/05/83/824480583.db2.gz NWTZIMXEAMSHGJ-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001214950217 824537502 /nfs/dbraw/zinc/53/75/02/824537502.db2.gz MUAKZZBDQRNDEZ-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001214952633 824537908 /nfs/dbraw/zinc/53/79/08/824537908.db2.gz FKVLYIHKGPUTQB-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(N)=O ZINC001215414325 824542053 /nfs/dbraw/zinc/54/20/53/824542053.db2.gz UAGAXRQERNPKMS-GRYCIOLGSA-N 1 3 296.415 -0.362 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680522 824543984 /nfs/dbraw/zinc/54/39/84/824543984.db2.gz AAVFTTWEJDVLEW-KGYLQXTDSA-N 1 3 296.371 -0.604 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215993792 824544958 /nfs/dbraw/zinc/54/49/58/824544958.db2.gz DRKLQDASAFZCRG-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750147 824548744 /nfs/dbraw/zinc/54/87/44/824548744.db2.gz RCXFOZHOASJILZ-GRYCIOLGSA-N 1 3 282.388 -0.879 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750147 824548752 /nfs/dbraw/zinc/54/87/52/824548752.db2.gz RCXFOZHOASJILZ-GRYCIOLGSA-N 1 3 282.388 -0.879 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216750145 824548815 /nfs/dbraw/zinc/54/88/15/824548815.db2.gz RCHWBOWGAVNSKR-FRRDWIJNSA-N 1 3 296.415 -0.537 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216750145 824548819 /nfs/dbraw/zinc/54/88/19/824548819.db2.gz RCHWBOWGAVNSKR-FRRDWIJNSA-N 1 3 296.415 -0.537 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001216852147 824550116 /nfs/dbraw/zinc/55/01/16/824550116.db2.gz RDDYQADKYCBXJV-VXGBXAGGSA-N 1 3 257.378 -0.245 20 0 CBADHO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)on1 ZINC001218500228 824570124 /nfs/dbraw/zinc/57/01/24/824570124.db2.gz DZXSLYVZXCAQNR-SKDRFNHKSA-N 1 3 278.356 -0.161 20 0 CBADHO O=C(Nc1cnc2c(c1)COCC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218500451 824570235 /nfs/dbraw/zinc/57/02/35/824570235.db2.gz BDIWXMUJDFDAPE-LBPRGKRZSA-N 1 3 288.351 -0.098 20 0 CBADHO Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)on1 ZINC001218500226 824570499 /nfs/dbraw/zinc/57/04/99/824570499.db2.gz DZXSLYVZXCAQNR-CABZTGNLSA-N 1 3 278.356 -0.161 20 0 CBADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218512013 824577045 /nfs/dbraw/zinc/57/70/45/824577045.db2.gz FVOVDMXBOPELGZ-QMMMGPOBSA-N 1 3 283.332 -0.100 20 0 CBADHO Cn1nc2c(c1NC(=O)[C@H](N)CCC[NH3+])CCC2 ZINC001218529040 824585545 /nfs/dbraw/zinc/58/55/45/824585545.db2.gz YFMJLDUBPBDNFB-SECBINFHSA-N 1 3 251.334 -0.087 20 0 CBADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CNCCN3)sc2C1 ZINC001218535071 824585705 /nfs/dbraw/zinc/58/57/05/824585705.db2.gz WNJBQOPLUVUJBH-CBAPKCEASA-N 1 3 281.385 -0.541 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218549294 824588188 /nfs/dbraw/zinc/58/81/88/824588188.db2.gz GRESYQUKGNBLKD-QMMMGPOBSA-N 1 3 293.327 -0.666 20 0 CBADHO O=C(Nc1cccnc1F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218544190 824588278 /nfs/dbraw/zinc/58/82/78/824588278.db2.gz ISYBXOGEKSTJOP-QMMMGPOBSA-N 1 3 250.277 -0.032 20 0 CBADHO CN(C)c1ccncc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001218563151 824592493 /nfs/dbraw/zinc/59/24/93/824592493.db2.gz LSTQLTGTDCFUGB-LDYMZIIASA-N 1 3 250.302 -0.334 20 0 CBADHO Cc1nc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc(=O)[n-]1 ZINC001218564720 824593033 /nfs/dbraw/zinc/59/30/33/824593033.db2.gz MWRCUDHKIAFUQP-QMMMGPOBSA-N 1 3 253.306 -0.115 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2cncnc2Br)C1 ZINC001218570916 824595949 /nfs/dbraw/zinc/59/59/49/824595949.db2.gz RJLIQQGJOODSIH-RITPCOANSA-N 1 3 286.133 -0.133 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@H](N)CCC[NH3+])n1 ZINC001218579286 824597857 /nfs/dbraw/zinc/59/78/57/824597857.db2.gz BNFYJTICOPCOGO-SSDOTTSWSA-N 1 3 267.289 -0.732 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575029 824598040 /nfs/dbraw/zinc/59/80/40/824598040.db2.gz AFIDUQRWWDQBBK-SNVBAGLBSA-N 1 3 294.359 -0.682 20 0 CBADHO COC(=O)Cn1cc(NC(=O)[C@H](N)CCC[NH3+])cn1 ZINC001218609972 824603147 /nfs/dbraw/zinc/60/31/47/824603147.db2.gz LTQYCEXXCNZBBT-SECBINFHSA-N 1 3 269.305 -0.939 20 0 CBADHO Cn1ncc2cc(NC(=O)[C@@H](N)CCC[NH3+])cnc21 ZINC001218614150 824603468 /nfs/dbraw/zinc/60/34/68/824603468.db2.gz DQNUBBNGUAURHZ-JTQLQIEISA-N 1 3 262.317 -0.027 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cccnc1OC1COC1 ZINC001218617023 824604344 /nfs/dbraw/zinc/60/43/44/824604344.db2.gz CELWOIDOZUEIHY-JTQLQIEISA-N 1 3 280.328 -0.136 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cccnc1OC1COC1 ZINC001218617025 824604620 /nfs/dbraw/zinc/60/46/20/824604620.db2.gz CELWOIDOZUEIHY-SNVBAGLBSA-N 1 3 280.328 -0.136 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640161 824612800 /nfs/dbraw/zinc/61/28/00/824612800.db2.gz KFAIHEJSJZRVJU-LLVKDONJSA-N 1 3 275.316 -0.741 20 0 CBADHO N[C@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1CCC(O)CC1 ZINC001218640879 824612923 /nfs/dbraw/zinc/61/29/23/824612923.db2.gz MWBVPJPNHSXUSH-LDUAJXOISA-N 1 3 293.371 -0.156 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218642435 824614525 /nfs/dbraw/zinc/61/45/25/824614525.db2.gz VUAOPWRCKDCNIT-MRVPVSSYSA-N 1 3 298.778 -0.126 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218651572 824615262 /nfs/dbraw/zinc/61/52/62/824615262.db2.gz BMWZAEMAVJXXGJ-QMMMGPOBSA-N 1 3 284.751 -0.022 20 0 CBADHO CCOC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c[nH]1 ZINC001218650155 824615613 /nfs/dbraw/zinc/61/56/13/824615613.db2.gz SXWOGIZVDIJDMT-JTQLQIEISA-N 1 3 292.339 -0.061 20 0 CBADHO N[C@@H](C(=O)Nc1cn[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001218652985 824617194 /nfs/dbraw/zinc/61/71/94/824617194.db2.gz UDLZSHVJJKNBCQ-SNVBAGLBSA-N 1 3 251.290 -0.552 20 0 CBADHO CCOc1cc(N)n(C(=O)[C@@H](N)CCC[NH3+])c(=N)n1 ZINC001218681637 824621964 /nfs/dbraw/zinc/62/19/64/824621964.db2.gz XWERPSHSMSBBQZ-ZETCQYMHSA-N 1 3 268.321 -0.950 20 0 CBADHO Cc1c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ncn1C ZINC001218691189 824622189 /nfs/dbraw/zinc/62/21/89/824622189.db2.gz HLIHNOROGZLYQF-JTQLQIEISA-N 1 3 251.334 -0.006 20 0 CBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218700377 824623355 /nfs/dbraw/zinc/62/33/55/824623355.db2.gz XQPUTLMISZGILU-QMMMGPOBSA-N 1 3 287.327 -0.591 20 0 CBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001218699326 824623379 /nfs/dbraw/zinc/62/33/79/824623379.db2.gz HRRIKROHHILNDG-ZETCQYMHSA-N 1 3 263.305 -0.334 20 0 CBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)[N-]c1oncc1C(N)=O ZINC001218701714 824625415 /nfs/dbraw/zinc/62/54/15/824625415.db2.gz DLUZKGULPRCRRE-QMMMGPOBSA-N 1 3 269.305 -0.571 20 0 CBADHO [NH3+]CCNCC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218713135 824627466 /nfs/dbraw/zinc/62/74/66/824627466.db2.gz QTDCKWYTBZDLFJ-QMMMGPOBSA-N 1 3 253.306 -0.414 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713395 824627550 /nfs/dbraw/zinc/62/75/50/824627550.db2.gz OIVQDFLDWOBINZ-NSHDSACASA-N 1 3 293.371 -0.077 20 0 CBADHO COC[C@@H](C)Oc1cc(NC(=O)[C@@H](N)CCC[NH3+])[nH]n1 ZINC001218717997 824627925 /nfs/dbraw/zinc/62/79/25/824627925.db2.gz BKFIKMGTXHOTOF-BDAKNGLRSA-N 1 3 285.348 -0.172 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1C[NH2+]CCN1 ZINC001218710391 824628174 /nfs/dbraw/zinc/62/81/74/824628174.db2.gz FFMZELMASMYXOX-PSASIEDQSA-N 1 3 265.317 -0.401 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001218740999 824630777 /nfs/dbraw/zinc/63/07/77/824630777.db2.gz GTDAITSQFOIQFL-GYSYKLTISA-N 1 3 275.356 -0.147 20 0 CBADHO N[C@H](C(=O)Nc1c[nH]ccc1=O)C1CC[NH2+]CC1 ZINC001218791418 824638836 /nfs/dbraw/zinc/63/88/36/824638836.db2.gz IMJDLZJVLMXFPK-NSHDSACASA-N 1 3 250.302 -0.360 20 0 CBADHO O=C(Nc1ncccc1CCO)[C@H]1C[NH2+]CC12CNC2 ZINC001218792019 824638915 /nfs/dbraw/zinc/63/89/15/824638915.db2.gz GXTHDCSCECRKGZ-LLVKDONJSA-N 1 3 276.340 -0.636 20 0 CBADHO COC(=O)c1ccc(OC)nc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218790734 824639506 /nfs/dbraw/zinc/63/95/06/824639506.db2.gz QWULQNKQGMVTTF-SECBINFHSA-N 1 3 296.327 -0.119 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219027942 824652265 /nfs/dbraw/zinc/65/22/65/824652265.db2.gz IWAZLYCCZMMDFN-RYUDHWBXSA-N 1 3 277.324 -0.313 20 0 CBADHO N[C@@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C1 ZINC001219027752 824652923 /nfs/dbraw/zinc/65/29/23/824652923.db2.gz AUYXGQNHUPXFLG-AWEZNQCLSA-N 1 3 276.340 -0.202 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369828 824698817 /nfs/dbraw/zinc/69/88/17/824698817.db2.gz QUZUSYPZDWQADU-LLVKDONJSA-N 1 3 276.340 -0.136 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219441631 824709845 /nfs/dbraw/zinc/70/98/45/824709845.db2.gz LPKGTDPHZIQVPB-NSHDSACASA-N 1 3 290.323 -0.761 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219441733 824709942 /nfs/dbraw/zinc/70/99/42/824709942.db2.gz PDXQREVARGQEEL-GFCCVEGCSA-N 1 3 292.339 -0.244 20 0 CBADHO NC[C@H](N)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219538151 824725695 /nfs/dbraw/zinc/72/56/95/824725695.db2.gz VOSKIMOARDGXCY-FYBVGQRMSA-N 1 3 262.313 -0.641 20 0 CBADHO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[NH2+]CC12CNC2 ZINC001219552197 824726987 /nfs/dbraw/zinc/72/69/87/824726987.db2.gz VYXJYKJVXJXEMS-LLVKDONJSA-N 1 3 289.335 -0.160 20 0 CBADHO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219552198 824727087 /nfs/dbraw/zinc/72/70/87/824727087.db2.gz VYXJYKJVXJXEMS-NSHDSACASA-N 1 3 289.335 -0.160 20 0 CBADHO Cn1ccnc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219563858 824731322 /nfs/dbraw/zinc/73/13/22/824731322.db2.gz LDDPOJOTAJVDMC-NSHDSACASA-N 1 3 277.372 -0.090 20 0 CBADHO Cn1ccnc1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219563858 824731323 /nfs/dbraw/zinc/73/13/23/824731323.db2.gz LDDPOJOTAJVDMC-NSHDSACASA-N 1 3 277.372 -0.090 20 0 CBADHO Cn1ccnc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219566104 824732255 /nfs/dbraw/zinc/73/22/55/824732255.db2.gz SPWVKJARVKOTIM-QMMMGPOBSA-N 1 3 257.363 -0.945 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)C[NH2+]1 ZINC001219586913 824737513 /nfs/dbraw/zinc/73/75/13/824737513.db2.gz JERNGKXLCBXYFJ-SRVKXCTJSA-N 1 3 282.388 -0.417 20 0 CBADHO Cc1cc(C)n(CCNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001219595687 824739798 /nfs/dbraw/zinc/73/97/98/824739798.db2.gz KRVKUFSSQQAULP-NSHDSACASA-N 1 3 285.417 -0.365 20 0 CBADHO Cc1ccnc(CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001219600084 824741236 /nfs/dbraw/zinc/74/12/36/824741236.db2.gz HPAZJEZDGLLGPY-VIFPVBQESA-N 1 3 269.374 -0.580 20 0 CBADHO Cc1cnc(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)nc1 ZINC001219600708 824741552 /nfs/dbraw/zinc/74/15/52/824741552.db2.gz DGCLZIFAALVIRU-ZDUSSCGKSA-N 1 3 277.372 -0.229 20 0 CBADHO N[C@H](C(=O)NC[C@@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603668 824849704 /nfs/dbraw/zinc/84/97/04/824849704.db2.gz CMMAWIDFYLICHH-PWSUYJOCSA-N 1 3 267.329 -0.244 20 0 CBADHO N[C@@H](C(=O)NC[C@H](O)c1ccco1)C1CC[NH2+]CC1 ZINC001219603666 824851449 /nfs/dbraw/zinc/85/14/49/824851449.db2.gz CMMAWIDFYLICHH-CMPLNLGQSA-N 1 3 267.329 -0.244 20 0 CBADHO Cc1nocc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219608220 824852821 /nfs/dbraw/zinc/85/28/21/824852821.db2.gz SRWLRZLBSPNZGB-LLVKDONJSA-N 1 3 252.318 -0.074 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCS(C)(=O)=O ZINC001219608343 824852858 /nfs/dbraw/zinc/85/28/58/824852858.db2.gz VVPHCXDPOYUACQ-JTQLQIEISA-N 1 3 279.406 -0.794 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608088 824853486 /nfs/dbraw/zinc/85/34/86/824853486.db2.gz OOMGWLOMNBQYDF-PSASIEDQSA-N 1 3 291.277 -0.310 20 0 CBADHO C[C@H]1OCC[C@H]1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219634054 824867980 /nfs/dbraw/zinc/86/79/80/824867980.db2.gz LOTJBVVZFZJBJJ-ADEWGFFLSA-N 1 3 255.362 -0.146 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)CCN2CCN(C)CC2)C1 ZINC001219641607 824870685 /nfs/dbraw/zinc/87/06/85/824870685.db2.gz JIIRFYUZFORWTB-ZIAGYGMSSA-N 1 3 282.432 -0.014 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219645710 824870989 /nfs/dbraw/zinc/87/09/89/824870989.db2.gz MIENAHHZDRWJLC-AGIUHOORSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219645712 824871804 /nfs/dbraw/zinc/87/18/04/824871804.db2.gz MIENAHHZDRWJLC-UPJWGTAASA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645513 824872011 /nfs/dbraw/zinc/87/20/11/824872011.db2.gz LHKXFUNYXYMVTF-XQQFMLRXSA-N 1 3 298.431 -0.162 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219651889 824874265 /nfs/dbraw/zinc/87/42/65/824874265.db2.gz YSWRDHNVPSCYLV-XBFCOCLRSA-N 1 3 298.431 -0.018 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655954 824875332 /nfs/dbraw/zinc/87/53/32/824875332.db2.gz CVQQXMLRPKFREA-SYQHCUMBSA-N 1 3 299.415 -0.476 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655954 824875337 /nfs/dbraw/zinc/87/53/37/824875337.db2.gz CVQQXMLRPKFREA-SYQHCUMBSA-N 1 3 299.415 -0.476 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C[NH2+]1 ZINC001219683948 824877874 /nfs/dbraw/zinc/87/78/74/824877874.db2.gz HNSFZXIYQATMKA-SBXBPKINSA-N 1 3 261.391 -0.804 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C[NH2+]1 ZINC001219684492 824879001 /nfs/dbraw/zinc/87/90/01/824879001.db2.gz OKNVPYVTCDYIIB-KKZNHRDASA-N 1 3 251.334 -0.606 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219685065 824878752 /nfs/dbraw/zinc/87/87/52/824878752.db2.gz VYYQEEVEBIIJNG-WGBDABJCSA-N 1 3 284.404 -0.410 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)C[NH2+]1 ZINC001219684492 824879002 /nfs/dbraw/zinc/87/90/02/824879002.db2.gz OKNVPYVTCDYIIB-KKZNHRDASA-N 1 3 251.334 -0.606 20 0 CBADHO CCOC(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219691692 824879422 /nfs/dbraw/zinc/87/94/22/824879422.db2.gz VNCCVJCWMHFXOX-NSHDSACASA-N 1 3 283.372 -0.070 20 0 CBADHO CCOC(=O)CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219691692 824879429 /nfs/dbraw/zinc/87/94/29/824879429.db2.gz VNCCVJCWMHFXOX-NSHDSACASA-N 1 3 283.372 -0.070 20 0 CBADHO CCOC(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219691691 824879694 /nfs/dbraw/zinc/87/96/94/824879694.db2.gz VNCCVJCWMHFXOX-LLVKDONJSA-N 1 3 283.372 -0.070 20 0 CBADHO CCOC(=O)CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219691691 824879697 /nfs/dbraw/zinc/87/96/97/824879697.db2.gz VNCCVJCWMHFXOX-LLVKDONJSA-N 1 3 283.372 -0.070 20 0 CBADHO Cc1cc(C)c(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)c(=O)[nH]1 ZINC001219688935 824880342 /nfs/dbraw/zinc/88/03/42/824880342.db2.gz ADZANPMAEAAKCP-LBPRGKRZSA-N 1 3 290.367 -0.171 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739060 824887868 /nfs/dbraw/zinc/88/78/68/824887868.db2.gz GFTOUAYFBNTKBY-YUMQZZPRSA-N 1 3 263.288 -0.536 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737267 824888288 /nfs/dbraw/zinc/88/82/88/824888288.db2.gz RRNIPGILGCEECE-NEPJUHHUSA-N 1 3 267.373 -0.001 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800939 824896161 /nfs/dbraw/zinc/89/61/61/824896161.db2.gz PDUXSADUYVEPDP-ZYHUDNBSSA-N 1 3 293.371 -0.836 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812724 824898079 /nfs/dbraw/zinc/89/80/79/824898079.db2.gz HWWYAJOQGNIXLI-OBJOEFQTSA-N 1 3 267.373 -0.144 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219880984 824907907 /nfs/dbraw/zinc/90/79/07/824907907.db2.gz NSXNJYYURPNLQI-MISXGVKJSA-N 1 3 283.372 -0.358 20 0 CBADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@H](N)CCC[NH3+])OCC2 ZINC001219885146 824909492 /nfs/dbraw/zinc/90/94/92/824909492.db2.gz IRFGFXPRCRMGJW-MNOVXSKESA-N 1 3 281.360 -0.784 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219882789 824909719 /nfs/dbraw/zinc/90/97/19/824909719.db2.gz NCJCJUHAPMSTDE-SNVBAGLBSA-N 1 3 296.371 -0.093 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219882789 824909720 /nfs/dbraw/zinc/90/97/20/824909720.db2.gz NCJCJUHAPMSTDE-SNVBAGLBSA-N 1 3 296.371 -0.093 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[NH+](C)C ZINC001219916090 824913497 /nfs/dbraw/zinc/91/34/97/824913497.db2.gz JZDHVMNLZAQWHS-UMNHJUIQSA-N 1 3 272.393 -0.458 20 0 CBADHO CN1C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])CCC1=O ZINC001220006986 824932735 /nfs/dbraw/zinc/93/27/35/824932735.db2.gz GXBYOXVJLGKPPI-UWVGGRQHSA-N 1 3 256.350 -0.820 20 0 CBADHO Cc1nccn1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219934813 824916043 /nfs/dbraw/zinc/91/60/43/824916043.db2.gz OEBSLADQKXZOMU-JTQLQIEISA-N 1 3 271.390 -0.673 20 0 CBADHO Cc1cc(CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)[nH]n1 ZINC001219943614 824918764 /nfs/dbraw/zinc/91/87/64/824918764.db2.gz QXHNQDLHADINHF-LBPRGKRZSA-N 1 3 280.376 -0.915 20 0 CBADHO Cc1cc(CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)n[nH]1 ZINC001219943614 824918770 /nfs/dbraw/zinc/91/87/70/824918770.db2.gz QXHNQDLHADINHF-LBPRGKRZSA-N 1 3 280.376 -0.915 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001219961738 824922518 /nfs/dbraw/zinc/92/25/18/824922518.db2.gz UYMGYETZSMYWHU-LLVKDONJSA-N 1 3 264.329 -0.532 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959533 824923042 /nfs/dbraw/zinc/92/30/42/824923042.db2.gz YHEAPYCJMIIISN-NEPJUHHUSA-N 1 3 284.404 -0.123 20 0 CBADHO COC(=O)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219975283 824928137 /nfs/dbraw/zinc/92/81/37/824928137.db2.gz QCVOMLMCMDLVFX-VIFPVBQESA-N 1 3 255.318 -0.850 20 0 CBADHO COC(=O)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219975283 824928141 /nfs/dbraw/zinc/92/81/41/824928141.db2.gz QCVOMLMCMDLVFX-VIFPVBQESA-N 1 3 255.318 -0.850 20 0 CBADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219980877 824928868 /nfs/dbraw/zinc/92/88/68/824928868.db2.gz PYLLZMIRMKNSQT-UYSIFFEZSA-N 1 3 289.445 -0.070 20 0 CBADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219980877 824928874 /nfs/dbraw/zinc/92/88/74/824928874.db2.gz PYLLZMIRMKNSQT-UYSIFFEZSA-N 1 3 289.445 -0.070 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H](N)CC(F)F)CC[NH2+]CC1 ZINC001220001141 824931371 /nfs/dbraw/zinc/93/13/71/824931371.db2.gz IUUCGFLSSDSQGD-ZETCQYMHSA-N 1 3 279.287 -0.620 20 0 CBADHO O=C(NCc1cccnn1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220018589 824935579 /nfs/dbraw/zinc/93/55/79/824935579.db2.gz JUYPFHVYXRAKJV-GFCCVEGCSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NCc1cccnn1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220018589 824935583 /nfs/dbraw/zinc/93/55/83/824935583.db2.gz JUYPFHVYXRAKJV-GFCCVEGCSA-N 1 3 275.356 -0.033 20 0 CBADHO CC(C)[C@@](C)(NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001220023449 824937396 /nfs/dbraw/zinc/93/73/96/824937396.db2.gz ZBZFXFZMWKQYIJ-JOYOIKCWSA-N 1 3 258.366 -0.541 20 0 CBADHO CC(C)[C@@](C)(NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220023436 824938445 /nfs/dbraw/zinc/93/84/45/824938445.db2.gz YVCIFDMWFADZDT-GXFFZTMASA-N 1 3 270.377 -0.671 20 0 CBADHO COC(=O)c1ccnc(CNC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001220037827 824940295 /nfs/dbraw/zinc/94/02/95/824940295.db2.gz LUUGWGJFVAFLDI-NSHDSACASA-N 1 3 280.328 -0.449 20 0 CBADHO O=C(NCc1n[nH]c2ccccc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001220045436 824943331 /nfs/dbraw/zinc/94/33/31/824943331.db2.gz ZHWRJJBMWDONOR-NSHDSACASA-N 1 3 285.351 -0.012 20 0 CBADHO COC(=O)CCCCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220048637 824943984 /nfs/dbraw/zinc/94/39/84/824943984.db2.gz SGDOPLFYVQSQPU-JTQLQIEISA-N 1 3 259.350 -0.098 20 0 CBADHO CCCCOC(=O)[C@H](C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220049973 824946077 /nfs/dbraw/zinc/94/60/77/824946077.db2.gz WHBAUQDUEJKINH-VHSXEESVSA-N 1 3 259.350 -0.099 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220064322 824948042 /nfs/dbraw/zinc/94/80/42/824948042.db2.gz ZRGBBPDPSUDWKK-VIFPVBQESA-N 1 3 259.350 -0.099 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220063747 824948410 /nfs/dbraw/zinc/94/84/10/824948410.db2.gz AYOFAZUFEHNWJC-VIFPVBQESA-N 1 3 269.345 -0.747 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220065283 824948455 /nfs/dbraw/zinc/94/84/55/824948455.db2.gz DAJQNFGURMOCCD-VIFPVBQESA-N 1 3 295.343 -0.321 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)CNCCC[NH3+] ZINC001220071480 824949999 /nfs/dbraw/zinc/94/99/99/824949999.db2.gz FRJDZCFLDBPNAW-UHFFFAOYSA-N 1 3 251.334 -0.473 20 0 CBADHO N=C(NC(=O)CN1CCCC[C@H](N)C1=O)SCC[NH3+] ZINC001220106206 824956988 /nfs/dbraw/zinc/95/69/88/824956988.db2.gz FJBWFSGSPSNLKI-QMMMGPOBSA-N 1 3 287.389 -0.931 20 0 CBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220122582 824960042 /nfs/dbraw/zinc/96/00/42/824960042.db2.gz KXHDKDSSAWVEAH-MRVPVSSYSA-N 1 3 263.301 -0.762 20 0 CBADHO O=C(NCC1(F)CCOCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220136985 824963473 /nfs/dbraw/zinc/96/34/73/824963473.db2.gz NCJVEQOEMQMIPH-BXUZGUMPSA-N 1 3 285.363 -0.180 20 0 CBADHO N=C(NC(=O)[C@@H](N)CSCC[NH3+])c1ccc(F)cn1 ZINC001220170596 824975803 /nfs/dbraw/zinc/97/58/03/824975803.db2.gz PHVFRWXIWDUYGL-QMMMGPOBSA-N 1 3 285.348 -0.319 20 0 CBADHO CCC1(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)COC1 ZINC001220170955 824976364 /nfs/dbraw/zinc/97/63/64/824976364.db2.gz ZNILSAAQEUOYFL-NSHDSACASA-N 1 3 255.362 -0.144 20 0 CBADHO N=C(NC(=O)[C@H](N)CCC[NH3+])c1ccc(F)cn1 ZINC001220170613 824976562 /nfs/dbraw/zinc/97/65/62/824976562.db2.gz PXXGZMFJAOWZJQ-MRVPVSSYSA-N 1 3 253.281 -0.272 20 0 CBADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cncnc1 ZINC001220183098 824980771 /nfs/dbraw/zinc/98/07/71/824980771.db2.gz DUYIRIDZKLSULY-JOYOIKCWSA-N 1 3 263.345 -0.019 20 0 CBADHO N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC001220189996 824982368 /nfs/dbraw/zinc/98/23/68/824982368.db2.gz ZQPQYDKQZVFPOL-CIUDSAMLSA-N 1 3 262.304 -0.963 20 0 CBADHO CC(C)(C)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220217307 824987175 /nfs/dbraw/zinc/98/71/75/824987175.db2.gz UTXBBGZZKLWLOP-UHIISALHSA-N 1 3 269.389 -0.291 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220252387 824996018 /nfs/dbraw/zinc/99/60/18/824996018.db2.gz YXJVSHBLVXBNLU-FHGNATFXSA-N 1 3 275.418 -0.317 20 0 CBADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220252387 824996029 /nfs/dbraw/zinc/99/60/29/824996029.db2.gz YXJVSHBLVXBNLU-FHGNATFXSA-N 1 3 275.418 -0.317 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261027 824997849 /nfs/dbraw/zinc/99/78/49/824997849.db2.gz ORVIFKBRMZOVIP-MNOVXSKESA-N 1 3 265.361 -0.161 20 0 CBADHO [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001220268448 825000027 /nfs/dbraw/zinc/00/00/27/825000027.db2.gz JFVIFPPSCDLXGU-NSHDSACASA-N 1 3 289.343 -0.451 20 0 CBADHO C[C@@H](O)CCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277172 825002452 /nfs/dbraw/zinc/00/24/52/825002452.db2.gz TZEXBGFUPKRZPY-UPJWGTAASA-N 1 3 287.404 -0.740 20 0 CBADHO O=C(NCCc1cn2ccccc2n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220278545 825004751 /nfs/dbraw/zinc/00/47/51/825004751.db2.gz WOVYBEROFYMIEH-ZDUSSCGKSA-N 1 3 299.378 -0.198 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286264 825005367 /nfs/dbraw/zinc/00/53/67/825005367.db2.gz DWAVRGWWYFVKDD-LBPRGKRZSA-N 1 3 296.346 -0.262 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316894 825013458 /nfs/dbraw/zinc/01/34/58/825013458.db2.gz UMJBYDSKNMAEMN-SCRDCRAPSA-N 1 3 293.371 -0.693 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220335800 825016682 /nfs/dbraw/zinc/01/66/82/825016682.db2.gz UNNRZPXVQTZTBS-AVGNSLFASA-N 1 3 269.389 -0.054 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220340436 825018635 /nfs/dbraw/zinc/01/86/35/825018635.db2.gz DMCNHWAQLCBKDC-GFCCVEGCSA-N 1 3 293.371 -0.010 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cnccn1 ZINC001220369086 825021281 /nfs/dbraw/zinc/02/12/81/825021281.db2.gz SMEUISVCSDFPSK-SKDRFNHKSA-N 1 3 263.345 -0.019 20 0 CBADHO C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cnccn1 ZINC001220368884 825021576 /nfs/dbraw/zinc/02/15/76/825021576.db2.gz OPOQFTRAYUPVDB-NXEZZACHSA-N 1 3 261.329 -0.537 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403315 825031413 /nfs/dbraw/zinc/03/14/13/825031413.db2.gz NJZNTJQBJSMLLX-RYUDHWBXSA-N 1 3 276.340 -0.460 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001220405773 825031989 /nfs/dbraw/zinc/03/19/89/825031989.db2.gz CYQBOVZXZSJWPS-KXUCPTDWSA-N 1 3 257.334 -0.490 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001220406579 825033158 /nfs/dbraw/zinc/03/31/58/825033158.db2.gz TVQSJFZXKCIDTF-VWYCJHECSA-N 1 3 281.356 -0.747 20 0 CBADHO COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220406548 825033537 /nfs/dbraw/zinc/03/35/37/825033537.db2.gz SPZQTZUFOSDNHE-AXFHLTTASA-N 1 3 271.361 -0.099 20 0 CBADHO O=C(NC1CCN(CCF)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220435354 825038069 /nfs/dbraw/zinc/03/80/69/825038069.db2.gz HFXMJNUJUPLDFE-GFCCVEGCSA-N 1 3 284.379 -0.655 20 0 CBADHO N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@@H]2COCCN2)cc1 ZINC001220431589 825038232 /nfs/dbraw/zinc/03/82/32/825038232.db2.gz KKWXIHNTPVWRNA-OLZOCXBDSA-N 1 3 278.356 -0.637 20 0 CBADHO Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220492409 825048604 /nfs/dbraw/zinc/04/86/04/825048604.db2.gz MLJRNSSXHCHPDT-JTQLQIEISA-N 1 3 269.349 -0.461 20 0 CBADHO COC(C)(CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)OC ZINC001220509013 825051112 /nfs/dbraw/zinc/05/11/12/825051112.db2.gz HBOSCGFVJSTYTG-NSHDSACASA-N 1 3 285.388 -0.014 20 0 CBADHO COC(C)(CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)OC ZINC001220509013 825051119 /nfs/dbraw/zinc/05/11/19/825051119.db2.gz HBOSCGFVJSTYTG-NSHDSACASA-N 1 3 285.388 -0.014 20 0 CBADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220514397 825051509 /nfs/dbraw/zinc/05/15/09/825051509.db2.gz KEIDVLOVCWWVSO-ZETCQYMHSA-N 1 3 297.315 -0.636 20 0 CBADHO C[C@H]1COCC[C@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220565913 825064288 /nfs/dbraw/zinc/06/42/88/825064288.db2.gz UXAFDLAYLDPAIX-LPEHRKFASA-N 1 3 261.391 -0.453 20 0 CBADHO [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220519481 825054172 /nfs/dbraw/zinc/05/41/72/825054172.db2.gz PTOLFWUVIZYDGG-QWRGUYRKSA-N 1 3 277.340 -0.815 20 0 CBADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)CCC[NH3+])c1cccnc1 ZINC001220527203 825056262 /nfs/dbraw/zinc/05/62/62/825056262.db2.gz GHYIMMPFAWFWCK-NWDGAFQWSA-N 1 3 294.355 -0.132 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220530225 825058520 /nfs/dbraw/zinc/05/85/20/825058520.db2.gz NZXANWAQNMOBLG-SSDOTTSWSA-N 1 3 257.725 -0.188 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C(F)(F)F ZINC001220587706 825072301 /nfs/dbraw/zinc/07/23/01/825072301.db2.gz HVOXUSIUHVPSJI-NKWVEPMBSA-N 1 3 285.266 -0.337 20 0 CBADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cccnc1Cl ZINC001220661133 825081999 /nfs/dbraw/zinc/08/19/99/825081999.db2.gz UAYZEIJSNJXVOZ-VIFPVBQESA-N 1 3 293.758 -0.014 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220709091 825089080 /nfs/dbraw/zinc/08/90/80/825089080.db2.gz RAMLTXVDHNJHMS-GFCCVEGCSA-N 1 3 284.404 -0.266 20 0 CBADHO Nc1ncc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)s1 ZINC001220704914 825089325 /nfs/dbraw/zinc/08/93/25/825089325.db2.gz YHGMHCUJAIVBHA-SECBINFHSA-N 1 3 281.385 -0.807 20 0 CBADHO C[C@H]1COCCN1CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220725236 825093210 /nfs/dbraw/zinc/09/32/10/825093210.db2.gz OQPQMKFAOFXUKC-WCQYABFASA-N 1 3 284.404 -0.850 20 0 CBADHO C[C@@H]1COCCN1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220725455 825094318 /nfs/dbraw/zinc/09/43/18/825094318.db2.gz RUOXGOSFWJGYCE-NEPJUHHUSA-N 1 3 272.393 -0.720 20 0 CBADHO NC[C@H](N)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743625 825095572 /nfs/dbraw/zinc/09/55/72/825095572.db2.gz KDUZQLTYBVZKDX-LBPRGKRZSA-N 1 3 263.345 -0.547 20 0 CBADHO COC(CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)OC ZINC001220741029 825096439 /nfs/dbraw/zinc/09/64/39/825096439.db2.gz BPVBEFQLFFPGGU-BXUZGUMPSA-N 1 3 285.388 -0.299 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220758683 825097058 /nfs/dbraw/zinc/09/70/58/825097058.db2.gz JIAOIIJZJOBUOH-LBPRGKRZSA-N 1 3 272.393 -0.135 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220759268 825097396 /nfs/dbraw/zinc/09/73/96/825097396.db2.gz UTRCDGWPWITHJY-NSHDSACASA-N 1 3 258.366 -0.525 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220756501 825097720 /nfs/dbraw/zinc/09/77/20/825097720.db2.gz FGWHNWGFYRPCKN-WCQYABFASA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220756501 825097728 /nfs/dbraw/zinc/09/77/28/825097728.db2.gz FGWHNWGFYRPCKN-WCQYABFASA-N 1 3 296.415 -0.251 20 0 CBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220766065 825099039 /nfs/dbraw/zinc/09/90/39/825099039.db2.gz LBMDTEDGFRZKPJ-DJLDLDEBSA-N 1 3 261.391 -0.719 20 0 CBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220766970 825099333 /nfs/dbraw/zinc/09/93/33/825099333.db2.gz ZAMAKPCTPJDPCW-HBNTYKKESA-N 1 3 255.362 -0.411 20 0 CBADHO N[C@@H](C(=O)NCCN1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001220808226 825104614 /nfs/dbraw/zinc/10/46/14/825104614.db2.gz MGTBIKXKCLWLGP-LLVKDONJSA-N 1 3 290.358 -0.230 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@H](N)C(C)(C)C)C[NH2+]C1 ZINC001220827669 825108630 /nfs/dbraw/zinc/10/86/30/825108630.db2.gz XEMYMETWXDGGDY-JTQLQIEISA-N 1 3 269.345 -0.104 20 0 CBADHO CCOC(=O)C1=C(NC(=O)c2ccc(CN)nc2)C[NH2+]C1 ZINC001220831891 825109889 /nfs/dbraw/zinc/10/98/89/825109889.db2.gz MFTJTRULUIMTAP-UHFFFAOYSA-N 1 3 290.323 -0.310 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCO[C@H]1CCCCO1 ZINC001220862327 825115745 /nfs/dbraw/zinc/11/57/45/825115745.db2.gz XLGPAPRDZXDVDT-MNOVXSKESA-N 1 3 259.350 -0.288 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220881431 825119010 /nfs/dbraw/zinc/11/90/10/825119010.db2.gz KMAYEOMPYUBKNN-IJLUTSLNSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220881431 825119012 /nfs/dbraw/zinc/11/90/12/825119012.db2.gz KMAYEOMPYUBKNN-IJLUTSLNSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220881538 825119075 /nfs/dbraw/zinc/11/90/75/825119075.db2.gz MGUJRMDZIDSQAA-TUAOUCFPSA-N 1 3 285.388 -0.029 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CNCc2ccnn2C1 ZINC001220882605 825119902 /nfs/dbraw/zinc/11/99/02/825119902.db2.gz XFJAEKACNXZSPP-MNOVXSKESA-N 1 3 263.345 -0.529 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220887297 825121029 /nfs/dbraw/zinc/12/10/29/825121029.db2.gz ZKYURZHEVPXJIG-DCAQKATOSA-N 1 3 268.361 -0.807 20 0 CBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])c1ccccn1 ZINC001220901246 825122644 /nfs/dbraw/zinc/12/26/44/825122644.db2.gz VEESRPXOYKQUFF-JQWIXIFHSA-N 1 3 294.355 -0.132 20 0 CBADHO O=C(N[C@@H]1CCCc2nccnc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220948921 825127517 /nfs/dbraw/zinc/12/75/17/825127517.db2.gz KGXGELIQCNDGEP-ZYHUDNBSSA-N 1 3 287.367 -0.221 20 0 CBADHO NC[C@H](N)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982764 825131277 /nfs/dbraw/zinc/13/12/77/825131277.db2.gz KXZXXNUPABYZBJ-LBPRGKRZSA-N 1 3 280.347 -0.112 20 0 CBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976438 825132650 /nfs/dbraw/zinc/13/26/50/825132650.db2.gz ZHKPMVDEESNCCV-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976438 825132655 /nfs/dbraw/zinc/13/26/55/825132655.db2.gz ZHKPMVDEESNCCV-MJBXVCDLSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001221007825 825135503 /nfs/dbraw/zinc/13/55/03/825135503.db2.gz DXOGHALTJFNUIB-MXWKQRLJSA-N 1 3 253.346 -0.521 20 0 CBADHO COc1cccc(C2(NC(=O)[C@@H](N)CN)CC[NH2+]CC2)c1 ZINC001221093997 825143803 /nfs/dbraw/zinc/14/38/03/825143803.db2.gz CLSZUAXRPUVPGX-ZDUSSCGKSA-N 1 3 292.383 -0.324 20 0 CBADHO NC[C@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121792 825145629 /nfs/dbraw/zinc/14/56/29/825145629.db2.gz RRIOAHCGGRTGSI-NSHDSACASA-N 1 3 263.345 -0.938 20 0 CBADHO NC[C@H](N)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221129091 825147232 /nfs/dbraw/zinc/14/72/32/825147232.db2.gz URMPURQRFHDKDM-LBPRGKRZSA-N 1 3 268.405 -0.051 20 0 CBADHO CCn1cc(NC(=O)[C@H](N)CCC[NH3+])ccc1=O ZINC001221176489 825150617 /nfs/dbraw/zinc/15/06/17/825150617.db2.gz AQHHEAVCALTKRF-SNVBAGLBSA-N 1 3 252.318 -0.127 20 0 CBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC001221190081 825151080 /nfs/dbraw/zinc/15/10/80/825151080.db2.gz BOJSPDSATFBYPZ-BQBZGAKWSA-N 1 3 267.276 -0.634 20 0 CBADHO CC(C)(C)N1CC(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221195744 825154697 /nfs/dbraw/zinc/15/46/97/825154697.db2.gz FUQQZYPPMHKEIN-CYBMUJFWSA-N 1 3 297.447 -0.664 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc2ccccn2n1 ZINC001221234904 825156773 /nfs/dbraw/zinc/15/67/73/825156773.db2.gz NJVRREYHFUVAGE-LBPRGKRZSA-N 1 3 293.396 -0.030 20 0 CBADHO O=C(NCc1cc2ccccn2n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221234960 825158248 /nfs/dbraw/zinc/15/82/48/825158248.db2.gz PGPNQTKNVALUMA-ZDUSSCGKSA-N 1 3 285.351 -0.241 20 0 CBADHO CN1CCC[C@@](C)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221241067 825158875 /nfs/dbraw/zinc/15/88/75/825158875.db2.gz MXVWQWCULAAJRX-OXHZDVMGSA-N 1 3 266.389 -0.191 20 0 CBADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001221254756 825161607 /nfs/dbraw/zinc/16/16/07/825161607.db2.gz SFHDIOZURJBVMU-FJHFEUQMSA-N 1 3 261.391 -0.850 20 0 CBADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001221254756 825161611 /nfs/dbraw/zinc/16/16/11/825161611.db2.gz SFHDIOZURJBVMU-FJHFEUQMSA-N 1 3 261.391 -0.850 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254836 825161813 /nfs/dbraw/zinc/16/18/13/825161813.db2.gz WOVVXKADBKWEQT-GVXVVHGQSA-N 1 3 284.404 -0.456 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254836 825161818 /nfs/dbraw/zinc/16/18/18/825161818.db2.gz WOVVXKADBKWEQT-GVXVVHGQSA-N 1 3 284.404 -0.456 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@@H](N)C1CC[NH2+]CC1)OCC ZINC001221262602 825163153 /nfs/dbraw/zinc/16/31/53/825163153.db2.gz JTSLOONIKIWZBI-FUWURINLSA-N 1 3 299.371 -0.130 20 0 CBADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221269556 825165990 /nfs/dbraw/zinc/16/59/90/825165990.db2.gz PZSNXKYHRZFYHB-NEPJUHHUSA-N 1 3 294.399 -0.355 20 0 CBADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221269556 825165997 /nfs/dbraw/zinc/16/59/97/825165997.db2.gz PZSNXKYHRZFYHB-NEPJUHHUSA-N 1 3 294.399 -0.355 20 0 CBADHO O=C(N[C@H]1CCC[C@H]1CO)[C@H]1C[NH2+]CC12CNC2 ZINC001221306370 825167802 /nfs/dbraw/zinc/16/78/02/825167802.db2.gz QFCLXFOGQMQVOV-AXFHLTTASA-N 1 3 253.346 -0.927 20 0 CBADHO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221339680 825175241 /nfs/dbraw/zinc/17/52/41/825175241.db2.gz MKMAHTMZFCZOLJ-WHOHXGKFSA-N 1 3 265.357 -0.378 20 0 CBADHO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221339680 825175244 /nfs/dbraw/zinc/17/52/44/825175244.db2.gz MKMAHTMZFCZOLJ-WHOHXGKFSA-N 1 3 265.357 -0.378 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378598 825178823 /nfs/dbraw/zinc/17/88/23/825178823.db2.gz YIDBABZEPCUGSY-STQMWFEESA-N 1 3 265.357 -0.055 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)NC1 ZINC001221392406 825180280 /nfs/dbraw/zinc/18/02/80/825180280.db2.gz LQCNMMHQXIUHGX-STQMWFEESA-N 1 3 291.399 -0.899 20 0 CBADHO O=C(NCCOc1ccncc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221393667 825181591 /nfs/dbraw/zinc/18/15/91/825181591.db2.gz LOOMRZDSXUFUAZ-IUODEOHRSA-N 1 3 290.367 -0.224 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[NH2+]C[C@H]1O ZINC001221399570 825182413 /nfs/dbraw/zinc/18/24/13/825182413.db2.gz RFBMZXPAYGQFSO-MELADBBJSA-N 1 3 275.352 -0.603 20 0 CBADHO C[C@]1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCCOC1 ZINC001221403792 825184500 /nfs/dbraw/zinc/18/45/00/825184500.db2.gz XNZURPFAHZFXKY-JQWIXIFHSA-N 1 3 253.346 -0.519 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001222414835 825210088 /nfs/dbraw/zinc/21/00/88/825210088.db2.gz ORVSVMXTWBJEEF-QWRGUYRKSA-N 1 3 271.361 -0.452 20 0 CBADHO CC1(C)[NH2+]C[C@@H](CN2CC[C@@H]3NCCO[C@H]3C2)O1 ZINC001222697336 825222185 /nfs/dbraw/zinc/22/21/85/825222185.db2.gz ZFFNMTQPDZJJCN-SRVKXCTJSA-N 1 3 255.362 -0.226 20 0 CBADHO CCCN(C)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001230115161 825342431 /nfs/dbraw/zinc/34/24/31/825342431.db2.gz BKHYMVJYPJTIPG-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCOCCO)CC2)C1 ZINC001230262570 825344305 /nfs/dbraw/zinc/34/43/05/825344305.db2.gz GOPPCYKTAONNLG-ZDUSSCGKSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCOCCO)CC2)C1 ZINC001230262570 825344314 /nfs/dbraw/zinc/34/43/14/825344314.db2.gz GOPPCYKTAONNLG-ZDUSSCGKSA-N 1 3 299.415 -0.472 20 0 CBADHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231773294 825416858 /nfs/dbraw/zinc/41/68/58/825416858.db2.gz JPPLARNRIICJAY-IUODEOHRSA-N 1 3 292.383 -0.533 20 0 CBADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231773294 825416864 /nfs/dbraw/zinc/41/68/64/825416864.db2.gz JPPLARNRIICJAY-IUODEOHRSA-N 1 3 292.383 -0.533 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@H]1CO ZINC001235443370 825495799 /nfs/dbraw/zinc/49/57/99/825495799.db2.gz MZYLKTATQRDGQP-OUAUKWLOSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@H]1CO ZINC001235443370 825495804 /nfs/dbraw/zinc/49/58/04/825495804.db2.gz MZYLKTATQRDGQP-OUAUKWLOSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523358 825500790 /nfs/dbraw/zinc/50/07/90/825500790.db2.gz XBUNUTQVVKSLIP-ZDEQEGDKSA-N 1 3 284.404 -0.058 20 0 CBADHO C[C@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523358 825500795 /nfs/dbraw/zinc/50/07/95/825500795.db2.gz XBUNUTQVVKSLIP-ZDEQEGDKSA-N 1 3 284.404 -0.058 20 0 CBADHO [NH3+]CCCCN1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001235613612 825506162 /nfs/dbraw/zinc/50/61/62/825506162.db2.gz ABALDMFLGVMEOB-UHFFFAOYSA-N 1 3 290.375 -0.138 20 0 CBADHO COC(=O)[C@@H]1CN(Cc2ccc3n2CCNC3)C[C@@H]1[NH3+] ZINC001236344391 825528514 /nfs/dbraw/zinc/52/85/14/825528514.db2.gz BRXGVPBIWADWMK-OLZOCXBDSA-N 1 3 278.356 -0.477 20 0 CBADHO NCCS(=O)(=O)NCCCOC1CC[NH2+]CC1 ZINC001238187329 825549171 /nfs/dbraw/zinc/54/91/71/825549171.db2.gz KPTAZIVARAKFPG-UHFFFAOYSA-N 1 3 265.379 -0.977 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-]C[C@]1(F)CC[NH2+]C1 ZINC001238242847 825550313 /nfs/dbraw/zinc/55/03/13/825550313.db2.gz OYBXARIODXPEKE-NSHDSACASA-N 1 3 279.381 -0.393 20 0 CBADHO NCCS(=O)(=O)NC[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001238327295 825551234 /nfs/dbraw/zinc/55/12/34/825551234.db2.gz GCKULNGFYMNJET-MNOVXSKESA-N 1 3 277.390 -0.977 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238342086 825552461 /nfs/dbraw/zinc/55/24/61/825552461.db2.gz GDNBJIQEBGKZLI-GHMZBOCLSA-N 1 3 277.390 -0.977 20 0 CBADHO C[NH2+]Cc1cccc(CNS(=O)(=O)CCN)c1 ZINC001238697989 825560814 /nfs/dbraw/zinc/56/08/14/825560814.db2.gz VDIZBBJAGROTGH-UHFFFAOYSA-N 1 3 257.359 -0.216 20 0 CBADHO [NH3+]CCS(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1 ZINC001238809094 825563891 /nfs/dbraw/zinc/56/38/91/825563891.db2.gz XQUPNKWFPBCSOE-JTQLQIEISA-N 1 3 277.390 -0.882 20 0 CBADHO NCCS(=O)(=O)N1CCC2(CCC[NH2+]C2)CC1 ZINC001239009294 825582233 /nfs/dbraw/zinc/58/22/33/825582233.db2.gz CVRLGRAZGSTANT-UHFFFAOYSA-N 1 3 261.391 -0.260 20 0 CBADHO NCCS(=O)(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001239149490 825594943 /nfs/dbraw/zinc/59/49/43/825594943.db2.gz LXSCUACAJIYWHC-ZDUSSCGKSA-N 1 3 298.412 -0.076 20 0 CBADHO COCCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363306 825600852 /nfs/dbraw/zinc/60/08/52/825600852.db2.gz MPDHJVYRGUPBMU-LLVKDONJSA-N 1 3 286.445 -0.029 20 0 CBADHO OC[C@@H]1C[NH2+]C[C@H]1NC(=S)NCCN1CCCCC1 ZINC001239378665 825601349 /nfs/dbraw/zinc/60/13/49/825601349.db2.gz SSMTWLLWFWWARU-NWDGAFQWSA-N 1 3 286.445 -0.483 20 0 CBADHO OC[C@H]1C[NH2+]C[C@@H]1NC(=S)NCCN1CCCCC1 ZINC001239378664 825601980 /nfs/dbraw/zinc/60/19/80/825601980.db2.gz SSMTWLLWFWWARU-NEPJUHHUSA-N 1 3 286.445 -0.483 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)CN1CCOCC1 ZINC001245981498 825616097 /nfs/dbraw/zinc/61/60/97/825616097.db2.gz HNFYVOHLFTVLRU-IHRRRGAJSA-N 1 3 271.405 -0.343 20 0 CBADHO C[C@@H]1CC[C@@H](CNC[C@@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977504 825616152 /nfs/dbraw/zinc/61/61/52/825616152.db2.gz WQISJPNRWKGRQC-HZSPNIEDSA-N 1 3 271.405 -0.343 20 0 CBADHO C[C@@H]1CC[C@H](CNC[C@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977505 825616869 /nfs/dbraw/zinc/61/68/69/825616869.db2.gz WQISJPNRWKGRQC-MCIONIFRSA-N 1 3 271.405 -0.343 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@@H](O)CN2CCOCC2)C1 ZINC001245992441 825619067 /nfs/dbraw/zinc/61/90/67/825619067.db2.gz LXLDDAYVHUWAIW-MELADBBJSA-N 1 3 271.405 -0.485 20 0 CBADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC001246017046 825621338 /nfs/dbraw/zinc/62/13/38/825621338.db2.gz PZDRSNIFOAEEPX-AVGNSLFASA-N 1 3 257.378 -0.509 20 0 CBADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC001246017046 825621341 /nfs/dbraw/zinc/62/13/41/825621341.db2.gz PZDRSNIFOAEEPX-AVGNSLFASA-N 1 3 257.378 -0.509 20 0 CBADHO CCCCOC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246008630 825621385 /nfs/dbraw/zinc/62/13/85/825621385.db2.gz PIDWEBRUVRXMIV-NEPJUHHUSA-N 1 3 275.393 -0.264 20 0 CBADHO CC(C)(C)OC(=O)[C@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246023825 825624541 /nfs/dbraw/zinc/62/45/41/825624541.db2.gz BNFOTSHBMQLMQZ-GFCCVEGCSA-N 1 3 299.415 -0.284 20 0 CBADHO [NH3+]CCCC[C@H](NC[C@H](O)CO)C(=O)N1CCCC1 ZINC001246021646 825624685 /nfs/dbraw/zinc/62/46/85/825624685.db2.gz UITJWDAUNVGNCA-RYUDHWBXSA-N 1 3 273.377 -0.951 20 0 CBADHO CCCOC[C@H](O)C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246027868 825625910 /nfs/dbraw/zinc/62/59/10/825625910.db2.gz YPHNIOSPBPOEIH-IUODEOHRSA-N 1 3 297.399 -0.815 20 0 CBADHO CCCOC[C@H](O)C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246027868 825625915 /nfs/dbraw/zinc/62/59/15/825625915.db2.gz YPHNIOSPBPOEIH-IUODEOHRSA-N 1 3 297.399 -0.815 20 0 CBADHO CCN1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1=O ZINC001246085477 825633798 /nfs/dbraw/zinc/63/37/98/825633798.db2.gz WZJMYPAWRSNCOV-GMXVVIOVSA-N 1 3 273.352 -0.351 20 0 CBADHO CCOC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246078568 825634065 /nfs/dbraw/zinc/63/40/65/825634065.db2.gz BKZVGWRFYQHIEG-GMXVVIOVSA-N 1 3 289.351 -0.131 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)CN1 ZINC001246094523 825635256 /nfs/dbraw/zinc/63/52/56/825635256.db2.gz NBCKNYBSHRMWTO-WOPDTQHZSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129405 825637373 /nfs/dbraw/zinc/63/73/73/825637373.db2.gz CRNGSJQDEIRVII-UTUOFQBUSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246147290 825641502 /nfs/dbraw/zinc/64/15/02/825641502.db2.gz XJEIGEBYXKPDQQ-MOLYVOAJSA-N 1 3 267.373 -0.132 20 0 CBADHO COC(=O)[C@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145306 825641640 /nfs/dbraw/zinc/64/16/40/825641640.db2.gz MEDWIQIJWSWXFW-JHJVBQTASA-N 1 3 296.415 -0.646 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@]2(C)CC[NH2+]C2)CN1 ZINC001246216456 825651840 /nfs/dbraw/zinc/65/18/40/825651840.db2.gz JZACFHBEXFEQOA-NTZNESFSSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254451 825656903 /nfs/dbraw/zinc/65/69/03/825656903.db2.gz HNBRPWHRODUEHD-QWHCGFSZSA-N 1 3 268.405 -0.119 20 0 CBADHO CNC(=O)[C@H](CCCCN[C@@H]1CCC[NH2+]C1)NC(C)=O ZINC001246412149 825671537 /nfs/dbraw/zinc/67/15/37/825671537.db2.gz XBJXEUPGSZJXFS-OLZOCXBDSA-N 1 3 284.404 -0.251 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001246414497 825671828 /nfs/dbraw/zinc/67/18/28/825671828.db2.gz IGJWHWBADPULMH-JTQLQIEISA-N 1 3 277.390 -0.864 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246544746 825682392 /nfs/dbraw/zinc/68/23/92/825682392.db2.gz SLVZVVUNDJHASJ-YDHLFZDLSA-N 1 3 299.415 -0.154 20 0 CBADHO C1[NH2+]CC12C[C@@H](N1CCN([C@H]3CCOC3)CC1)CCN2 ZINC001246537959 825682726 /nfs/dbraw/zinc/68/27/26/825682726.db2.gz LRUDXLLPZLEHSC-KBPBESRZSA-N 1 3 280.416 -0.513 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2CCC[C@](O)(C[NH3+])CC2)CN1 ZINC001246546989 825682940 /nfs/dbraw/zinc/68/29/40/825682940.db2.gz BPSKRAGGZBKEGZ-SGMGOOAPSA-N 1 3 285.388 -0.544 20 0 CBADHO OC[C@@H]1C[C@H](F)CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246553475 825684380 /nfs/dbraw/zinc/68/43/80/825684380.db2.gz YFTYRRPJQOGTNS-WOPDTQHZSA-N 1 3 257.353 -0.267 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579331 825689390 /nfs/dbraw/zinc/68/93/90/825689390.db2.gz ILHKFOFJUJUYTE-NNYUYHANSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579331 825689392 /nfs/dbraw/zinc/68/93/92/825689392.db2.gz ILHKFOFJUJUYTE-NNYUYHANSA-N 1 3 253.346 -0.609 20 0 CBADHO COC(=O)[C@H]1CCC[C@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579612 825689769 /nfs/dbraw/zinc/68/97/69/825689769.db2.gz FXGPQPKVVPCEOM-BJDJZHNGSA-N 1 3 256.346 -0.030 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580768 825690814 /nfs/dbraw/zinc/69/08/14/825690814.db2.gz OVOADNQPNRZOBA-FIQHERPVSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246580768 825690820 /nfs/dbraw/zinc/69/08/20/825690820.db2.gz OVOADNQPNRZOBA-FIQHERPVSA-N 1 3 266.349 -0.592 20 0 CBADHO C[C@@H]1C[C@@H](N2CCOC[C@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246598510 825694339 /nfs/dbraw/zinc/69/43/39/825694339.db2.gz AUMFCLWQHOAAMR-RDBSUJKOSA-N 1 3 269.389 -0.182 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246636656 825699505 /nfs/dbraw/zinc/69/95/05/825699505.db2.gz VWKDEUFWULBDIX-YIYPIFLZSA-N 1 3 297.399 -0.410 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246856487 825723040 /nfs/dbraw/zinc/72/30/40/825723040.db2.gz BJRJZFOMOSDWMY-NHCYSSNCSA-N 1 3 255.362 -0.038 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246857578 825723088 /nfs/dbraw/zinc/72/30/88/825723088.db2.gz QCZYYLRCSXHQDZ-OWYJLGKBSA-N 1 3 297.399 -0.266 20 0 CBADHO c1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246865263 825723785 /nfs/dbraw/zinc/72/37/85/825723785.db2.gz SPSJIFSZRRHUQQ-CYBMUJFWSA-N 1 3 288.399 -0.307 20 0 CBADHO CC(=O)N1CCC(N2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246861898 825724749 /nfs/dbraw/zinc/72/47/49/825724749.db2.gz RBQBIMBWQSSBNN-ONXXMXGDSA-N 1 3 267.373 -0.097 20 0 CBADHO c1ncc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246868250 825725149 /nfs/dbraw/zinc/72/51/49/825725149.db2.gz KZKYFJJKYCMARA-CYBMUJFWSA-N 1 3 288.399 -0.307 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CN1 ZINC001246978199 825737350 /nfs/dbraw/zinc/73/73/50/825737350.db2.gz VCQNZQYKMCBJDI-HTFCKZLJSA-N 1 3 253.346 -0.441 20 0 CBADHO [NH3+][C@H](CO)Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249091824 825748013 /nfs/dbraw/zinc/74/80/13/825748013.db2.gz BFSOINRSBOXONV-VIFPVBQESA-N 1 3 275.312 -0.361 20 0 CBADHO COC(=O)[C@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252442816 825860814 /nfs/dbraw/zinc/86/08/14/825860814.db2.gz JPVSJUZAAWTYSV-JHJVBQTASA-N 1 3 286.372 -0.247 20 0 CBADHO COC[C@@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252819155 825890429 /nfs/dbraw/zinc/89/04/29/825890429.db2.gz BOHAGIXEYSSIBO-HNNXBMFYSA-N 1 3 285.432 -0.047 20 0 CBADHO OC1(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC001252944607 825895358 /nfs/dbraw/zinc/89/53/58/825895358.db2.gz SDHJDFKPYWZETJ-OAHLLOKOSA-N 1 3 292.379 -0.026 20 0 CBADHO OC1(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC001252944607 825895366 /nfs/dbraw/zinc/89/53/66/825895366.db2.gz SDHJDFKPYWZETJ-OAHLLOKOSA-N 1 3 292.379 -0.026 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]C[C@@H]1CCC(=O)N1C ZINC001253209126 825905162 /nfs/dbraw/zinc/90/51/62/825905162.db2.gz XXSGFEQWKFMJQT-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]CCN1CCOC1=O ZINC001253207462 825905860 /nfs/dbraw/zinc/90/58/60/825905860.db2.gz IFIJFZFMAQZIJX-NSHDSACASA-N 1 3 259.350 -0.269 20 0 CBADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@H]1CCNC(=O)C1 ZINC001253384951 825910582 /nfs/dbraw/zinc/91/05/82/825910582.db2.gz NNUUGGAUSVOMLM-MNOVXSKESA-N 1 3 257.378 -0.149 20 0 CBADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001253384951 825910586 /nfs/dbraw/zinc/91/05/86/825910586.db2.gz NNUUGGAUSVOMLM-MNOVXSKESA-N 1 3 257.378 -0.149 20 0 CBADHO O=C1C[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C(=O)N1 ZINC001256684223 826029831 /nfs/dbraw/zinc/02/98/31/826029831.db2.gz OPQXGXDSXFCTSW-PNESKVBLSA-N 1 3 295.383 -0.118 20 0 CBADHO CC(CO)(CO)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676479 826029906 /nfs/dbraw/zinc/02/99/06/826029906.db2.gz DEPJTGANMXTHCC-UHFFFAOYSA-N 1 3 272.389 -0.037 20 0 CBADHO NC(=O)[C@@H](CO)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001256850588 826035034 /nfs/dbraw/zinc/03/50/34/826035034.db2.gz DXQZVBZACHTTOQ-GFCCVEGCSA-N 1 3 264.329 -0.514 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC001261379812 826508914 /nfs/dbraw/zinc/50/89/14/826508914.db2.gz NBPKZLZCZGWUOO-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)c1[nH]nc2c1CNCC2 ZINC001261460961 826518221 /nfs/dbraw/zinc/51/82/21/826518221.db2.gz UFFVVMCHTARMGY-MRVPVSSYSA-N 1 3 251.334 -0.217 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001261527344 826533595 /nfs/dbraw/zinc/53/35/95/826533595.db2.gz OKEUSZKJSAQNGK-CYBMUJFWSA-N 1 3 285.436 -0.981 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC2([NH3+])CCC2)n1 ZINC001261643713 826554394 /nfs/dbraw/zinc/55/43/94/826554394.db2.gz CJPVZPCALVEBQI-UHFFFAOYSA-N 1 3 265.317 -0.471 20 0 CBADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC001261646920 826555912 /nfs/dbraw/zinc/55/59/12/826555912.db2.gz BPBORUBSWLFRKV-LLVKDONJSA-N 1 3 265.357 -0.423 20 0 CBADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1COCCN1C ZINC001261836498 826594831 /nfs/dbraw/zinc/59/48/31/826594831.db2.gz DQIPFXJZPORULZ-RNJOBUHISA-N 1 3 257.378 -0.341 20 0 CBADHO C[NH2+][C@H](C)CCNS(=O)(=O)CCCN(C)C ZINC001261853530 826598593 /nfs/dbraw/zinc/59/85/93/826598593.db2.gz KKUBCRPNLIJACB-SNVBAGLBSA-N 1 3 251.396 -0.145 20 0 CBADHO C[NH2+]C[C@H](C)CNS(=O)(=O)CCCN(C)C ZINC001261853848 826598838 /nfs/dbraw/zinc/59/88/38/826598838.db2.gz UCPIUEZGNFBWFL-JTQLQIEISA-N 1 3 251.396 -0.287 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001262008117 826618447 /nfs/dbraw/zinc/61/84/47/826618447.db2.gz BCMMPPIGSQTOMO-UWVGGRQHSA-N 1 3 251.334 -0.122 20 0 CBADHO COCCNCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001262042483 826627765 /nfs/dbraw/zinc/62/77/65/826627765.db2.gz NAWDBVXIUOZLFF-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC001262586914 826713748 /nfs/dbraw/zinc/71/37/48/826713748.db2.gz OIWGMMRIPPMYCC-ZJUUUORDSA-N 1 3 256.350 -0.728 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001262600767 826717284 /nfs/dbraw/zinc/71/72/84/826717284.db2.gz LJKIDYLZEZSGQY-CKYFFXLPSA-N 1 3 256.350 -0.911 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001263156161 826745502 /nfs/dbraw/zinc/74/55/02/826745502.db2.gz OBUATKDOHNDHHO-KXUCPTDWSA-N 1 3 253.346 -0.393 20 0 CBADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001263162530 826747602 /nfs/dbraw/zinc/74/76/02/826747602.db2.gz MVQCRXVDKZWPEG-OLZOCXBDSA-N 1 3 263.341 -0.189 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001263216437 826754873 /nfs/dbraw/zinc/75/48/73/826754873.db2.gz MDJAPEACFBEKDT-OPRDCNLKSA-N 1 3 257.334 -0.680 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCOCCO ZINC001264172797 826799648 /nfs/dbraw/zinc/79/96/48/826799648.db2.gz QURJBCWUFJBKOU-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCOCCO ZINC001264172797 826799655 /nfs/dbraw/zinc/79/96/55/826799655.db2.gz QURJBCWUFJBKOU-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001265849397 826929128 /nfs/dbraw/zinc/92/91/28/826929128.db2.gz WOFMXJFWYLUFKW-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001265849397 826929129 /nfs/dbraw/zinc/92/91/29/826929129.db2.gz WOFMXJFWYLUFKW-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001265722732 826911157 /nfs/dbraw/zinc/91/11/57/826911157.db2.gz UJVNNDZSASAFGX-BNDIWNMDSA-N 1 3 269.389 -0.246 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001265722732 826911163 /nfs/dbraw/zinc/91/11/63/826911163.db2.gz UJVNNDZSASAFGX-BNDIWNMDSA-N 1 3 269.389 -0.246 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001265849398 826929157 /nfs/dbraw/zinc/92/91/57/826929157.db2.gz WOFMXJFWYLUFKW-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001265849398 826929161 /nfs/dbraw/zinc/92/91/61/826929161.db2.gz WOFMXJFWYLUFKW-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001265851504 826929202 /nfs/dbraw/zinc/92/92/02/826929202.db2.gz OOFPEOMHRKPAQY-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001266968012 827099836 /nfs/dbraw/zinc/09/98/36/827099836.db2.gz RQZYBJJEARQTGG-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001267354875 827156442 /nfs/dbraw/zinc/15/64/42/827156442.db2.gz AUPBPBQMJPMRQM-GHMZBOCLSA-N 1 3 268.361 -0.983 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267428937 827169648 /nfs/dbraw/zinc/16/96/48/827169648.db2.gz HHZXFWLZEGDKKB-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267428937 827169652 /nfs/dbraw/zinc/16/96/52/827169652.db2.gz HHZXFWLZEGDKKB-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCN1CCCC1=O)N(C)C ZINC001267429662 827170522 /nfs/dbraw/zinc/17/05/22/827170522.db2.gz CYWCTBSCJZFBNZ-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCn1cncn1)N(C)C ZINC001267457013 827174612 /nfs/dbraw/zinc/17/46/12/827174612.db2.gz RDULKCUDSRNGMX-LBPRGKRZSA-N 1 3 282.392 -0.334 20 0 CBADHO CCCCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267470372 827174801 /nfs/dbraw/zinc/17/48/01/827174801.db2.gz VQCUJPJQLWXWHI-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267470372 827174811 /nfs/dbraw/zinc/17/48/11/827174811.db2.gz VQCUJPJQLWXWHI-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470373 827175854 /nfs/dbraw/zinc/17/58/54/827175854.db2.gz VQCUJPJQLWXWHI-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267470373 827175858 /nfs/dbraw/zinc/17/58/58/827175858.db2.gz VQCUJPJQLWXWHI-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001268375880 827317279 /nfs/dbraw/zinc/31/72/79/827317279.db2.gz SQZXKYXYRHUJPB-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(CC(=O)NC/C=C/C[NH2+]CCO)C1CCC1 ZINC001268549477 827362952 /nfs/dbraw/zinc/36/29/52/827362952.db2.gz GUVZDHRLNVSUIF-NSCUHMNNSA-N 1 3 255.362 -0.275 20 0 CBADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CCO)N(C)C ZINC001268551349 827363017 /nfs/dbraw/zinc/36/30/17/827363017.db2.gz FPYGZRUEQYFVEJ-FYJFLYSWSA-N 1 3 257.378 -0.173 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001268689031 827403713 /nfs/dbraw/zinc/40/37/13/827403713.db2.gz NPPGRPFEKBGZGE-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001268717119 827410058 /nfs/dbraw/zinc/41/00/58/827410058.db2.gz RCHOBWICPSSDNM-UWVGGRQHSA-N 1 3 258.366 -0.705 20 0 CBADHO CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCCN1C ZINC001268810154 827424635 /nfs/dbraw/zinc/42/46/35/827424635.db2.gz BBVJMSIYCXAVBK-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001268958466 827445212 /nfs/dbraw/zinc/44/52/12/827445212.db2.gz KULZGUJEDYXBJF-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(CC(=O)N1CCC2(CN(C)C2)CC1)C(N)=[NH2+] ZINC001268997201 827447298 /nfs/dbraw/zinc/44/72/98/827447298.db2.gz WWDLPJVTNKIQPP-UHFFFAOYSA-N 1 3 253.350 -0.634 20 0 CBADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001269544336 827517776 /nfs/dbraw/zinc/51/77/76/827517776.db2.gz BYKCXOYCVMLPPP-LLVKDONJSA-N 1 3 257.378 -0.054 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001271493719 827705244 /nfs/dbraw/zinc/70/52/44/827705244.db2.gz CXLBCRJCNKREBG-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001271493717 827705665 /nfs/dbraw/zinc/70/56/65/827705665.db2.gz CXLBCRJCNKREBG-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CN1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001271800854 827727414 /nfs/dbraw/zinc/72/74/14/827727414.db2.gz CIXKVFBJFJFDMM-NWDGAFQWSA-N 1 3 267.373 -0.394 20 0 CBADHO CN1CCC(O)(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001271800854 827727418 /nfs/dbraw/zinc/72/74/18/827727418.db2.gz CIXKVFBJFJFDMM-NWDGAFQWSA-N 1 3 267.373 -0.394 20 0 CBADHO CN1CCC(O)(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001271800854 827727421 /nfs/dbraw/zinc/72/74/21/827727421.db2.gz CIXKVFBJFJFDMM-NWDGAFQWSA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCCF ZINC001272444550 827799242 /nfs/dbraw/zinc/79/92/42/827799242.db2.gz VXQJGMZRDUAJJM-NEPJUHHUSA-N 1 3 275.368 -0.103 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCCF ZINC001272444550 827799247 /nfs/dbraw/zinc/79/92/47/827799247.db2.gz VXQJGMZRDUAJJM-NEPJUHHUSA-N 1 3 275.368 -0.103 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCCF ZINC001272444552 827799459 /nfs/dbraw/zinc/79/94/59/827799459.db2.gz VXQJGMZRDUAJJM-RYUDHWBXSA-N 1 3 275.368 -0.103 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCCF ZINC001272444552 827799467 /nfs/dbraw/zinc/79/94/67/827799467.db2.gz VXQJGMZRDUAJJM-RYUDHWBXSA-N 1 3 275.368 -0.103 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC)N(C)C ZINC001273123752 827866366 /nfs/dbraw/zinc/86/63/66/827866366.db2.gz YXULDDJXSUMWMT-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1CCCN1C ZINC001273298488 827887263 /nfs/dbraw/zinc/88/72/63/827887263.db2.gz QRYXFECXYXGWMP-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001273448522 827900988 /nfs/dbraw/zinc/90/09/88/827900988.db2.gz CLEQOCCKWQZBAK-UHFFFAOYSA-N 1 3 296.415 -0.214 20 0 CBADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001274981058 828046513 /nfs/dbraw/zinc/04/65/13/828046513.db2.gz XNALXXDHWMTOBA-VXGBXAGGSA-N 1 3 267.373 -0.225 20 0 CBADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001274981058 828046518 /nfs/dbraw/zinc/04/65/18/828046518.db2.gz XNALXXDHWMTOBA-VXGBXAGGSA-N 1 3 267.373 -0.225 20 0 CBADHO C[C@@H](C[NH2+]CCn1cncn1)NC(=O)CN1CC[C@H](C)C1 ZINC001275309656 828077252 /nfs/dbraw/zinc/07/72/52/828077252.db2.gz GUIHWJUTEDBHDP-STQMWFEESA-N 1 3 294.403 -0.286 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCOCCO ZINC001276002254 828129545 /nfs/dbraw/zinc/12/95/45/828129545.db2.gz JSINLDVKZHCKTK-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCOCCO ZINC001276002254 828129547 /nfs/dbraw/zinc/12/95/47/828129547.db2.gz JSINLDVKZHCKTK-OLZOCXBDSA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001276047700 828131899 /nfs/dbraw/zinc/13/18/99/828131899.db2.gz FCYMDLYVTYBBSK-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001276076298 828133043 /nfs/dbraw/zinc/13/30/43/828133043.db2.gz NATFOGQUYKJRND-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001276076300 828133253 /nfs/dbraw/zinc/13/32/53/828133253.db2.gz NATFOGQUYKJRND-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001276387130 828144020 /nfs/dbraw/zinc/14/40/20/828144020.db2.gz WYROQBLWOKKQLK-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCCF)CC[N@@H+]1C ZINC001278756233 828281912 /nfs/dbraw/zinc/28/19/12/828281912.db2.gz MKMWEKBRLNRPSU-GRYCIOLGSA-N 1 3 275.368 -0.295 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCCF)CC[N@H+]1C ZINC001278756233 828281917 /nfs/dbraw/zinc/28/19/17/828281917.db2.gz MKMWEKBRLNRPSU-GRYCIOLGSA-N 1 3 275.368 -0.295 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCCF)CC[N@@H+]1C ZINC001278756234 828282456 /nfs/dbraw/zinc/28/24/56/828282456.db2.gz MKMWEKBRLNRPSU-IJLUTSLNSA-N 1 3 275.368 -0.295 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCCF)CC[N@H+]1C ZINC001278756234 828282459 /nfs/dbraw/zinc/28/24/59/828282459.db2.gz MKMWEKBRLNRPSU-IJLUTSLNSA-N 1 3 275.368 -0.295 20 0 CBADHO COCC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001349817061 890897130 /nfs/dbraw/zinc/89/71/30/890897130.db2.gz GOIKVHAVYSAMNT-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO Cn1nnnc1CCN1CCC(OCCC[NH3+])CC1 ZINC001329374385 886038461 /nfs/dbraw/zinc/03/84/61/886038461.db2.gz BFWMOEHLJIGEFA-UHFFFAOYSA-N 1 3 268.365 -0.418 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCCC1(C[NH3+])CC1 ZINC001331713034 886930995 /nfs/dbraw/zinc/93/09/95/886930995.db2.gz RTIOXTUUOPOXLW-UHFFFAOYSA-N 1 3 251.334 -0.262 20 0 CBADHO CC(C)(C(N)=O)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001331965063 887067626 /nfs/dbraw/zinc/06/76/26/887067626.db2.gz CMSYNXIKYGBGGO-NEPJUHHUSA-N 1 3 268.405 -0.005 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331967770 887068185 /nfs/dbraw/zinc/06/81/85/887068185.db2.gz CCEZVRLFAITONJ-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001331967770 887068198 /nfs/dbraw/zinc/06/81/98/887068198.db2.gz CCEZVRLFAITONJ-SRVKXCTJSA-N 1 3 255.362 -0.097 20 0 CBADHO NCC(C[NH3+])NC[C@@H](O)COc1ccc(F)cc1 ZINC001332334946 887206614 /nfs/dbraw/zinc/20/66/14/887206614.db2.gz POUBUTQJTXUSJT-LLVKDONJSA-N 1 3 257.309 -0.559 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC001332423546 887275466 /nfs/dbraw/zinc/27/54/66/887275466.db2.gz DVJBEABCTMHAPR-VXGBXAGGSA-N 1 3 254.378 -0.665 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001332816569 887437927 /nfs/dbraw/zinc/43/79/27/887437927.db2.gz VGUKJSIOTIZJQU-URBCHYCLSA-N 1 3 267.373 -0.172 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001332816561 887438009 /nfs/dbraw/zinc/43/80/09/887438009.db2.gz VGUKJSIOTIZJQU-UKJIMTQDSA-N 1 3 267.373 -0.172 20 0 CBADHO Cc1cnc(CNC[C@H](O)CN2CC[NH+](C)CC2)o1 ZINC001335426486 888532792 /nfs/dbraw/zinc/53/27/92/888532792.db2.gz STDVQCIEOVYHGL-LBPRGKRZSA-N 1 3 268.361 -0.319 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)NC[C@H]2CNCCO2)C1 ZINC001335602487 888578463 /nfs/dbraw/zinc/57/84/63/888578463.db2.gz AAJHVSYGAWJKKY-HBNTYKKESA-N 1 3 256.350 -0.599 20 0 CBADHO C[C@@H]1CCN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001335986734 888665929 /nfs/dbraw/zinc/66/59/29/888665929.db2.gz PQIZSNXTXUZXBS-HUUCEWRRSA-N 1 3 284.448 -0.474 20 0 CBADHO COCCNC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001336116098 888696653 /nfs/dbraw/zinc/69/66/53/888696653.db2.gz BQSBNECIZYXLJC-BETUJISGSA-N 1 3 284.404 -0.896 20 0 CBADHO O[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279042 888735024 /nfs/dbraw/zinc/73/50/24/888735024.db2.gz YXEIHHRUGXQMMY-QNWHQSFQSA-N 1 3 256.346 -0.818 20 0 CBADHO C[C@@H](NC(=O)c1c(CN)cnn1C)[C@H]1CCC[NH2+]C1 ZINC001336709110 888852707 /nfs/dbraw/zinc/85/27/07/888852707.db2.gz QVUBUQBXJHWUQN-ZJUUUORDSA-N 1 3 265.361 -0.003 20 0 CBADHO C[C@H]1CN(c2nccnc2C[NH3+])[C@@H](C)CN1CCO ZINC001336659671 888835439 /nfs/dbraw/zinc/83/54/39/888835439.db2.gz CUEYUWSRLJRWLR-QWRGUYRKSA-N 1 3 265.361 -0.173 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001336741137 888862201 /nfs/dbraw/zinc/86/22/01/888862201.db2.gz CKBYZUFXYVOFNP-LBPRGKRZSA-N 1 3 268.405 -0.038 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+]CCN2CCCC2)CC1 ZINC001336754094 888868920 /nfs/dbraw/zinc/86/89/20/888868920.db2.gz AHIYHUKFALABKA-CQSZACIVSA-N 1 3 270.421 -0.720 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC001336927060 888924136 /nfs/dbraw/zinc/92/41/36/888924136.db2.gz QYSQRXQCYOJATP-MNOVXSKESA-N 1 3 268.361 -0.774 20 0 CBADHO CC1(C)CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1[NH3+] ZINC001336923449 888923409 /nfs/dbraw/zinc/92/34/09/888923409.db2.gz PYAUPJJRHSFGEJ-NXEZZACHSA-N 1 3 256.350 -0.647 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1CNCCO1)C2 ZINC001338640725 889184311 /nfs/dbraw/zinc/18/43/11/889184311.db2.gz JEGMBAPXUCETCR-BJDJZHNGSA-N 1 3 268.361 -0.504 20 0 CBADHO C[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001338627708 889184393 /nfs/dbraw/zinc/18/43/93/889184393.db2.gz XBWFJFOTFWRJRW-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001340676234 889465873 /nfs/dbraw/zinc/46/58/73/889465873.db2.gz JBSLCOQDETVYSF-CWSCBRNRSA-N 1 3 269.345 -0.393 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1[NH2+]CC12CCCC2 ZINC001341294438 889572697 /nfs/dbraw/zinc/57/26/97/889572697.db2.gz YVCVIQANTTUBTK-QWRGUYRKSA-N 1 3 253.346 -0.377 20 0 CBADHO CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001341370478 889583411 /nfs/dbraw/zinc/58/34/11/889583411.db2.gz YQTVDMMQUQYHAM-UWVGGRQHSA-N 1 3 253.346 -0.378 20 0 CBADHO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC001341672907 889646808 /nfs/dbraw/zinc/64/68/08/889646808.db2.gz PMVIMWBKEPQBKW-BXUZGUMPSA-N 1 3 267.373 -0.156 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341971369 889691835 /nfs/dbraw/zinc/69/18/35/889691835.db2.gz YBKBBAXAAPVOJR-TZMCWYRMSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCC[NH2+]C1 ZINC001342125553 889713379 /nfs/dbraw/zinc/71/33/79/889713379.db2.gz KZNYASCWGAKELG-PWSUYJOCSA-N 1 3 253.346 -0.377 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001443941013 912310173 /nfs/dbraw/zinc/31/01/73/912310173.db2.gz YQANOEJKGLMXEJ-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC ZINC001443985124 912316612 /nfs/dbraw/zinc/31/66/12/912316612.db2.gz UXLPNYRDJQNBPY-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(N)=O ZINC001444377282 912438834 /nfs/dbraw/zinc/43/88/34/912438834.db2.gz OZUZHSVNRSCUNF-GHMZBOCLSA-N 1 3 270.377 -0.845 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001444429461 912446680 /nfs/dbraw/zinc/44/66/80/912446680.db2.gz CKUOPZFWTWDKNA-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC ZINC001444711907 912494848 /nfs/dbraw/zinc/49/48/48/912494848.db2.gz RWKOPCOJTMCVQC-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC ZINC001444711907 912494855 /nfs/dbraw/zinc/49/48/55/912494855.db2.gz RWKOPCOJTMCVQC-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CN(C)C(C)C ZINC001445335730 912636779 /nfs/dbraw/zinc/63/67/79/912636779.db2.gz UZAUWSXDCYOYQX-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445330083 912638844 /nfs/dbraw/zinc/63/88/44/912638844.db2.gz YCPHNJOPRBQQKM-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445386941 912651805 /nfs/dbraw/zinc/65/18/05/912651805.db2.gz VDRLNZPDCOEMID-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445386941 912651820 /nfs/dbraw/zinc/65/18/20/912651820.db2.gz VDRLNZPDCOEMID-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445394937 912655579 /nfs/dbraw/zinc/65/55/79/912655579.db2.gz ODQVDEOHXXELCU-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001445396492 912656946 /nfs/dbraw/zinc/65/69/46/912656946.db2.gz BIJWWOTYFVBIMW-VWYCJHECSA-N 1 3 272.393 -0.459 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445550702 912698281 /nfs/dbraw/zinc/69/82/81/912698281.db2.gz ZBORGTHJQNJRQI-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445550702 912698294 /nfs/dbraw/zinc/69/82/94/912698294.db2.gz ZBORGTHJQNJRQI-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001188158234 884720327 /nfs/dbraw/zinc/72/03/27/884720327.db2.gz ISGQVJBKYGKZDB-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001210810677 884765394 /nfs/dbraw/zinc/76/53/94/884765394.db2.gz CKOIEHINGFSTPD-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CC1(F)CC[NH2+]CC1 ZINC001211354233 884770487 /nfs/dbraw/zinc/77/04/87/884770487.db2.gz LRELBOMRMXPMTE-LLVKDONJSA-N 1 3 273.352 -0.085 20 0 CBADHO [NH3+][C@H](C(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC001326292805 884974080 /nfs/dbraw/zinc/97/40/80/884974080.db2.gz LBPMGWOVISNOLV-NEPJUHHUSA-N 1 3 255.362 -0.001 20 0 CBADHO NCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001326340101 884998593 /nfs/dbraw/zinc/99/85/93/884998593.db2.gz UVIMXPHWSIFPPF-UHFFFAOYSA-N 1 3 296.415 -0.214 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001446440369 912887578 /nfs/dbraw/zinc/88/75/78/912887578.db2.gz ZRVHNMLRRQCPOF-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC001326601749 885084510 /nfs/dbraw/zinc/08/45/10/885084510.db2.gz PCORYBVQQNRSEJ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO [NH3+]CCOCCN1CCN(C2CCOCC2)CC1 ZINC001326692355 885112753 /nfs/dbraw/zinc/11/27/53/885112753.db2.gz ITZNWIBVDKLVSG-UHFFFAOYSA-N 1 3 257.378 -0.242 20 0 CBADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001326924172 885195437 /nfs/dbraw/zinc/19/54/37/885195437.db2.gz UKYRTXWNADNZPD-JGVFFNPUSA-N 1 3 251.277 -0.536 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CC[C@H]1CC[NH2+]C1 ZINC001327087979 885252198 /nfs/dbraw/zinc/25/21/98/885252198.db2.gz WAMSUYUGZPRFAQ-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COCC[NH2+]CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001327104313 885258798 /nfs/dbraw/zinc/25/87/98/885258798.db2.gz GQVYDWYLRQEYQV-LBPRGKRZSA-N 1 3 296.375 -0.864 20 0 CBADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H]3CNCCO3)CC2)C1 ZINC001327562196 885407276 /nfs/dbraw/zinc/40/72/76/885407276.db2.gz JXFBYLVKPPUMJK-CABCVRRESA-N 1 3 282.432 -0.313 20 0 CBADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@@H]3CNCCO3)CC2)C1 ZINC001327562196 885407285 /nfs/dbraw/zinc/40/72/85/885407285.db2.gz JXFBYLVKPPUMJK-CABCVRRESA-N 1 3 282.432 -0.313 20 0 CBADHO C[C@H](C[NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327579054 885414071 /nfs/dbraw/zinc/41/40/71/885414071.db2.gz MGEVMTRLQZRDIS-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](CCCC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327819224 885486212 /nfs/dbraw/zinc/48/62/12/885486212.db2.gz POOPGCHDCXFJPI-VIFPVBQESA-N 1 3 296.375 -0.042 20 0 CBADHO [NH3+]CCOCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327926712 885527968 /nfs/dbraw/zinc/52/79/68/885527968.db2.gz AYXJXFYWNPZOQV-LBPRGKRZSA-N 1 3 271.361 -0.669 20 0 CBADHO C[C@@H](Cn1cncn1)[NH2+]CC1(O)CCN(C)CC1 ZINC001328086397 885570055 /nfs/dbraw/zinc/57/00/55/885570055.db2.gz RRTPKWPCBHBURY-NSHDSACASA-N 1 3 253.350 -0.287 20 0 CBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCO)CC1)N(C)C ZINC001328206962 885602291 /nfs/dbraw/zinc/60/22/91/885602291.db2.gz FHAMBHFYFKDXFL-GFCCVEGCSA-N 1 3 287.404 -0.738 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001328339711 885643112 /nfs/dbraw/zinc/64/31/12/885643112.db2.gz RRDPJNDXACDVFU-JGVFFNPUSA-N 1 3 251.277 -0.455 20 0 CBADHO C[C@@H]1CCCN(CC(=O)N2CCNCC2)[C@H]1CC[NH3+] ZINC001328728857 885795162 /nfs/dbraw/zinc/79/51/62/885795162.db2.gz ALAFZLHQOWZLPM-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CCCN(CC(=O)N2CCNCC2)[C@H]1CC[NH3+] ZINC001328728859 885795305 /nfs/dbraw/zinc/79/53/05/885795305.db2.gz ALAFZLHQOWZLPM-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001446942054 912981265 /nfs/dbraw/zinc/98/12/65/912981265.db2.gz ODTRGIAACPYKLY-RYUDHWBXSA-N 1 3 284.404 -0.502 20 0 CBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC001329802037 886210710 /nfs/dbraw/zinc/21/07/10/886210710.db2.gz YYUCFYKKIQGZSF-GMTAPVOTSA-N 1 3 279.406 -0.732 20 0 CBADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C[C@H](C)O)C1 ZINC001330049225 886337138 /nfs/dbraw/zinc/33/71/38/886337138.db2.gz UGUDLKUKJSEYQL-WDEREUQCSA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@@H](O)CN1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049222 886338715 /nfs/dbraw/zinc/33/87/15/886338715.db2.gz UGUDLKUKJSEYQL-MNOVXSKESA-N 1 3 257.378 -0.245 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330518730 886465835 /nfs/dbraw/zinc/46/58/35/886465835.db2.gz FEKPSVREDCQEJU-SSDOTTSWSA-N 1 3 268.321 -0.871 20 0 CBADHO C[NH+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330519639 886468166 /nfs/dbraw/zinc/46/81/66/886468166.db2.gz MBEXKZPVCUGQDT-UHFFFAOYSA-N 1 3 268.321 -0.998 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC001330528721 886470709 /nfs/dbraw/zinc/47/07/09/886470709.db2.gz NWWHMKYGUMKZPK-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001330603261 886497925 /nfs/dbraw/zinc/49/79/25/886497925.db2.gz RVCAEIQIWUQIBU-WCBMZHEXSA-N 1 3 251.334 -0.264 20 0 CBADHO COCC[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001330880166 886613497 /nfs/dbraw/zinc/61/34/97/886613497.db2.gz PRFATFZXVASAHE-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO CN1CCN(CCCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001331707298 886923321 /nfs/dbraw/zinc/92/33/21/886923321.db2.gz LOXDUCRYNXCOMU-UHFFFAOYSA-N 1 3 297.447 -0.965 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1cnnn1C ZINC001447547055 913097040 /nfs/dbraw/zinc/09/70/40/913097040.db2.gz TUCIRSWUNVTSPY-YPMHNXCESA-N 1 3 294.403 -0.297 20 0 CBADHO [NH3+]C1(CN[C@H](C2CC2)[C@H]2CNCCO2)CCOCC1 ZINC001331852826 887016901 /nfs/dbraw/zinc/01/69/01/887016901.db2.gz YKQWRNXVWAGSCP-CHWSQXEVSA-N 1 3 269.389 -0.149 20 0 CBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447736247 913110672 /nfs/dbraw/zinc/11/06/72/913110672.db2.gz BFLRTSGOILNIGF-CHWSQXEVSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001447736247 913110681 /nfs/dbraw/zinc/11/06/81/913110681.db2.gz BFLRTSGOILNIGF-CHWSQXEVSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027409 887088961 /nfs/dbraw/zinc/08/89/61/887088961.db2.gz MJTARAPFBLEJIC-UWVGGRQHSA-N 1 3 256.350 -0.998 20 0 CBADHO C[NH2+]CCC(=O)NCCCCN1CCN(C)CC1 ZINC001332094754 887108227 /nfs/dbraw/zinc/10/82/27/887108227.db2.gz VCJDMRAUMZDFLS-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO C[NH2+]CC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC001332158038 887134525 /nfs/dbraw/zinc/13/45/25/887134525.db2.gz QMZDYOYWARLPBT-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178631 887142685 /nfs/dbraw/zinc/14/26/85/887142685.db2.gz FIXPOKPDVDNOOD-ZWNOBZJWSA-N 1 3 255.362 -0.146 20 0 CBADHO COCCNCC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001332282743 887184122 /nfs/dbraw/zinc/18/41/22/887184122.db2.gz VFODJXPBWPSIRK-KBPBESRZSA-N 1 3 299.415 -0.033 20 0 CBADHO NCC(C[NH3+])NC[C@H](O)COc1ccc(F)cc1 ZINC001332334948 887211662 /nfs/dbraw/zinc/21/16/62/887211662.db2.gz POUBUTQJTXUSJT-NSHDSACASA-N 1 3 257.309 -0.559 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860947 913150279 /nfs/dbraw/zinc/15/02/79/913150279.db2.gz BXYFXGMZJHOKQQ-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001333000133 887498504 /nfs/dbraw/zinc/49/85/04/887498504.db2.gz LUHIQZNJCRMAFU-ZMLRMANQSA-N 1 3 266.345 -0.215 20 0 CBADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447908203 913161266 /nfs/dbraw/zinc/16/12/66/913161266.db2.gz SRRWIHBQYWZCNK-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1CCN(C(=O)c2c(CN)cnn2C)C[C@@H]1C[NH3+] ZINC001333338890 887603137 /nfs/dbraw/zinc/60/31/37/887603137.db2.gz TXBLNFMFPYMQLL-KOLCDFICSA-N 1 3 265.361 -0.064 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958047 887819484 /nfs/dbraw/zinc/81/94/84/887819484.db2.gz AANQMSJSSMDWGI-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO O=C(NCCN1CC=CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001334001314 887839315 /nfs/dbraw/zinc/83/93/15/887839315.db2.gz ZPANWHUESNLZLM-CYBMUJFWSA-N 1 3 265.357 -0.305 20 0 CBADHO c1ncn([C@@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190598 888437175 /nfs/dbraw/zinc/43/71/75/888437175.db2.gz TUPDHLNFQQMFDY-NEPJUHHUSA-N 1 3 263.345 -0.097 20 0 CBADHO C[C@@H]1CCN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001335986732 888666679 /nfs/dbraw/zinc/66/66/79/888666679.db2.gz PQIZSNXTXUZXBS-CABCVRRESA-N 1 3 284.448 -0.474 20 0 CBADHO [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001336131797 888701999 /nfs/dbraw/zinc/70/19/99/888701999.db2.gz BNOSVUARUZBZDG-XXUGLENDSA-N 1 3 282.388 -0.258 20 0 CBADHO CCOCC[C@@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC001336786043 888879685 /nfs/dbraw/zinc/87/96/85/888879685.db2.gz YLGWEMGHLUYRCU-GFCCVEGCSA-N 1 3 260.378 -0.180 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001336658859 888836912 /nfs/dbraw/zinc/83/69/12/888836912.db2.gz LPWCSKQOMRFXDQ-SDDRHHMPSA-N 1 3 254.378 -0.476 20 0 CBADHO C[C@@H](O)CNCC(=O)NCC[NH+]1CCCCCC1 ZINC001336794858 888882970 /nfs/dbraw/zinc/88/29/70/888882970.db2.gz OIWYYULZVITNRD-GFCCVEGCSA-N 1 3 257.378 -0.051 20 0 CBADHO NC1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC001336995360 888946003 /nfs/dbraw/zinc/94/60/03/888946003.db2.gz QUXLFIPSKPPPCQ-UHFFFAOYSA-N 1 3 262.317 -0.684 20 0 CBADHO C[C@@H]1CN(c2nccnc2C[NH3+])C[C@H](C)N1CCO ZINC001338009855 889104733 /nfs/dbraw/zinc/10/47/33/889104733.db2.gz KXWBLRYRYMBORU-PHIMTYICSA-N 1 3 265.361 -0.173 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001448517450 913313454 /nfs/dbraw/zinc/31/34/54/913313454.db2.gz QVXCROLPHWTBLD-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1CN(CC[NH2+]C[C@@H](O)CN2CCCC2)CCO1 ZINC001338468885 889164321 /nfs/dbraw/zinc/16/43/21/889164321.db2.gz ZFFFRXITIAFFMT-ZIAGYGMSSA-N 1 3 271.405 -0.247 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC001339716665 889314767 /nfs/dbraw/zinc/31/47/67/889314767.db2.gz WOSIMTWIGVHJAN-KXUCPTDWSA-N 1 3 257.334 -0.537 20 0 CBADHO C[C@H](CS(C)(=O)=O)NCCN1CCC([NH3+])CC1 ZINC001340065049 889377315 /nfs/dbraw/zinc/37/73/15/889377315.db2.gz RZKNXMXGEXJCLR-SNVBAGLBSA-N 1 3 263.407 -0.568 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340041467 889369661 /nfs/dbraw/zinc/36/96/61/889369661.db2.gz KCVXLHOZIBXFBO-DYEKYZERSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001448655634 913339888 /nfs/dbraw/zinc/33/98/88/913339888.db2.gz RSCKSAGVGQNXGX-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001448655634 913339904 /nfs/dbraw/zinc/33/99/04/913339904.db2.gz RSCKSAGVGQNXGX-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340127436 889389955 /nfs/dbraw/zinc/38/99/55/889389955.db2.gz CTHUGFQXHYWUCN-YPMHNXCESA-N 1 3 254.378 -0.604 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001448655637 913342164 /nfs/dbraw/zinc/34/21/64/913342164.db2.gz RSCKSAGVGQNXGX-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001448655637 913342177 /nfs/dbraw/zinc/34/21/77/913342177.db2.gz RSCKSAGVGQNXGX-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CCN1 ZINC001340280286 889418005 /nfs/dbraw/zinc/41/80/05/889418005.db2.gz FSFVMPJCCZPHCO-WZRBSPASSA-N 1 3 255.362 -0.444 20 0 CBADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CNCc2ccccc21 ZINC001340670846 889462776 /nfs/dbraw/zinc/46/27/76/889462776.db2.gz LWXIPTJPWCGBHV-RWMBFGLXSA-N 1 3 261.325 -0.678 20 0 CBADHO CN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340725944 889473582 /nfs/dbraw/zinc/47/35/82/889473582.db2.gz JDZALRITEGCNAF-DYEKYZERSA-N 1 3 267.373 -0.177 20 0 CBADHO CN1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC001340825278 889492600 /nfs/dbraw/zinc/49/26/00/889492600.db2.gz WXTMDARGRYQKIG-WCQYABFASA-N 1 3 255.362 -0.299 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001340935948 889517107 /nfs/dbraw/zinc/51/71/07/889517107.db2.gz LFVLPVQCSSAWJE-NXEZZACHSA-N 1 3 269.345 -0.475 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001341500987 889609604 /nfs/dbraw/zinc/60/96/04/889609604.db2.gz GNYYXEPZSUUWNP-DRZSPHRISA-N 1 3 269.389 -0.245 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001341721516 889654441 /nfs/dbraw/zinc/65/44/41/889654441.db2.gz NMSNSQSBHBMLDU-CHWSQXEVSA-N 1 3 268.405 -0.323 20 0 CBADHO O=C(N[C@@H]1C[NH2+]CC12CC2)c1[nH]nc2c1CNCC2 ZINC001342098623 889711378 /nfs/dbraw/zinc/71/13/78/889711378.db2.gz JWGDKYSHEDRQMK-SNVBAGLBSA-N 1 3 261.329 -0.463 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001342126591 889713740 /nfs/dbraw/zinc/71/37/40/889713740.db2.gz QLLCLULFYPDEMQ-QJPTWQEYSA-N 1 3 265.357 -0.236 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342251978 889741813 /nfs/dbraw/zinc/74/18/13/889741813.db2.gz ZBDZURKDYJJBHJ-VXGBXAGGSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCN1C ZINC001342571214 889794951 /nfs/dbraw/zinc/79/49/51/889794951.db2.gz VLVWOWVHKXTEQO-SFTQSGBHSA-N 1 3 267.373 -0.179 20 0 CBADHO [NH3+]C1CC2(C1)CC(NC(=O)C[C@H]1CNCCO1)C2 ZINC001342665075 889813607 /nfs/dbraw/zinc/81/36/07/889813607.db2.gz SYQJSKLKPVPBDM-FOBZMYGMSA-N 1 3 253.346 -0.249 20 0 CBADHO COc1cccc([C@H](CNC(=O)CNCC[NH3+])N(C)C)c1 ZINC001343354745 889892912 /nfs/dbraw/zinc/89/29/12/889892912.db2.gz UCVQEUKNHXDAJB-AWEZNQCLSA-N 1 3 294.399 -0.038 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001343444824 889910508 /nfs/dbraw/zinc/91/05/08/889910508.db2.gz MPIAQUSYSQWZNV-LMAKZCADSA-N 1 3 267.373 -0.315 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001343460386 889912681 /nfs/dbraw/zinc/91/26/81/889912681.db2.gz ZMRKCJLAOKSGFR-IVZWLZJFSA-N 1 3 257.334 -0.537 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001343468006 889916864 /nfs/dbraw/zinc/91/68/64/889916864.db2.gz QJQIIKFKPHEABU-UMSGYPCISA-N 1 3 266.389 -0.524 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001343468016 889916904 /nfs/dbraw/zinc/91/69/04/889916904.db2.gz QJQIIKFKPHEABU-WUHRBBMRSA-N 1 3 266.389 -0.524 20 0 CBADHO CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001343566107 889931104 /nfs/dbraw/zinc/93/11/04/889931104.db2.gz FBBGLGKRGRFCEY-RYUDHWBXSA-N 1 3 255.362 -0.347 20 0 CBADHO CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001343566105 889931704 /nfs/dbraw/zinc/93/17/04/889931704.db2.gz FBBGLGKRGRFCEY-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC1CC[NH2+]CC1)C(=O)[C@H]1CNCCN1C ZINC001343652945 889941618 /nfs/dbraw/zinc/94/16/18/889941618.db2.gz MQKVLTNBDDKPCB-GFCCVEGCSA-N 1 3 254.378 -0.652 20 0 CBADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1COC2(CNC2)C1 ZINC001344010860 889990853 /nfs/dbraw/zinc/99/08/53/889990853.db2.gz GOKJZBIZLOAQDD-HEKLCECKSA-N 1 3 265.357 -0.211 20 0 CBADHO C[C@H]1CN(C(=O)c2c(CN)cnn2C)CC[C@H]1C[NH3+] ZINC001345010806 890089555 /nfs/dbraw/zinc/08/95/55/890089555.db2.gz KZLBLXWVUMGLLL-UWVGGRQHSA-N 1 3 265.361 -0.064 20 0 CBADHO COC[C@@H](O)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001345098827 890098809 /nfs/dbraw/zinc/09/88/09/890098809.db2.gz WZKKXLLMRCMREI-QNWHQSFQSA-N 1 3 258.362 -0.260 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001345155079 890106572 /nfs/dbraw/zinc/10/65/72/890106572.db2.gz YPUZGAIFBPNEDB-SCZZXKLOSA-N 1 3 251.334 -0.264 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001345196776 890110005 /nfs/dbraw/zinc/11/00/05/890110005.db2.gz GEGNRLVJUARGJD-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCNCC2)C1 ZINC001346018689 890198723 /nfs/dbraw/zinc/19/87/23/890198723.db2.gz ZJFWFQSKBZQMEY-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)CN1CCN(C)CC1 ZINC001346333143 890272273 /nfs/dbraw/zinc/27/22/73/890272273.db2.gz PGGIIHMNGUWGGE-ZIAGYGMSSA-N 1 3 299.463 -0.735 20 0 CBADHO Cc1cc(CNC[C@@H](O)C[NH+]2CCN(C)CC2)no1 ZINC001348957664 890737422 /nfs/dbraw/zinc/73/74/22/890737422.db2.gz LBPZEJCRYUOTFR-CYBMUJFWSA-N 1 3 268.361 -0.319 20 0 CBADHO [NH3+]CC1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC001349372926 890801965 /nfs/dbraw/zinc/80/19/65/890801965.db2.gz OUWCAEXWQTZBTM-UHFFFAOYSA-N 1 3 263.345 -0.134 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC001349808788 890895157 /nfs/dbraw/zinc/89/51/57/890895157.db2.gz QWKDZUBNCLGSSR-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001349808648 890895503 /nfs/dbraw/zinc/89/55/03/890895503.db2.gz QGNCMMPIPGHATG-JQWIXIFHSA-N 1 3 282.388 -0.560 20 0 CBADHO COCC[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001349816035 890899140 /nfs/dbraw/zinc/89/91/40/890899140.db2.gz MHKGKPXLYSYWQO-JTQLQIEISA-N 1 3 269.349 -0.253 20 0 CBADHO O=C1OCCN1[C@@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC001350398642 890976404 /nfs/dbraw/zinc/97/64/04/890976404.db2.gz QOTWQUVUUNNQHG-GFCCVEGCSA-N 1 3 268.361 -0.582 20 0 CBADHO CN(C)C1(C(=O)N(C)CCNC(=O)CC[NH+](C)C)CCC1 ZINC001449190175 913534343 /nfs/dbraw/zinc/53/43/43/913534343.db2.gz MNMBJKKAJCCMRW-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)c2c(CN)cnn2C)CC[NH2+]1 ZINC001352839685 891306842 /nfs/dbraw/zinc/30/68/42/891306842.db2.gz QALSUUIZHPZFPI-SCZZXKLOSA-N 1 3 251.334 -0.251 20 0 CBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001352849694 891309638 /nfs/dbraw/zinc/30/96/38/891309638.db2.gz NWAOWWIWDXTQJC-JDEDCZITSA-N 1 3 265.357 -0.401 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)CC[NH+](C)C ZINC001352862018 891312617 /nfs/dbraw/zinc/31/26/17/891312617.db2.gz LRCDQRIDPFUSIT-RWMBFGLXSA-N 1 3 268.405 -0.040 20 0 CBADHO CO[C@@H](CN)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001353075865 891354846 /nfs/dbraw/zinc/35/48/46/891354846.db2.gz FFZUCQMCFJPFDI-PRJMDXOYSA-N 1 3 269.267 -0.444 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001353431256 891424459 /nfs/dbraw/zinc/42/44/59/891424459.db2.gz UVKDATSMVYKMGP-LOWVWBTDSA-N 1 3 268.361 -0.584 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC001353511380 891440760 /nfs/dbraw/zinc/44/07/60/891440760.db2.gz NIWIVUDACROMOJ-JTQLQIEISA-N 1 3 268.361 -0.632 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC001353511381 891441132 /nfs/dbraw/zinc/44/11/32/891441132.db2.gz NIWIVUDACROMOJ-SNVBAGLBSA-N 1 3 268.361 -0.632 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001353647110 891456939 /nfs/dbraw/zinc/45/69/39/891456939.db2.gz ZTZFVKNEZQFPGC-AAEUAGOBSA-N 1 3 263.341 -0.301 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001354780454 891615203 /nfs/dbraw/zinc/61/52/03/891615203.db2.gz CEJPIBHBPRGKQR-FXQIFTODSA-N 1 3 269.267 -0.302 20 0 CBADHO O=C([C@@H]1NCCc2ccccc21)N1CCNCC[NH2+]CC1 ZINC001355027645 891637935 /nfs/dbraw/zinc/63/79/35/891637935.db2.gz HNAZUCDNTNPXBG-OAHLLOKOSA-N 1 3 288.395 -0.105 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH3+])CC2)CC1=O ZINC001355297790 891669199 /nfs/dbraw/zinc/66/91/99/891669199.db2.gz JICVTLOPCWAJSU-JTQLQIEISA-N 1 3 268.361 -0.996 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001355520865 891686625 /nfs/dbraw/zinc/68/66/25/891686625.db2.gz QDERZKIFDKYRLS-RYUDHWBXSA-N 1 3 254.378 -0.462 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001355520864 891687188 /nfs/dbraw/zinc/68/71/88/891687188.db2.gz QDERZKIFDKYRLS-NWDGAFQWSA-N 1 3 254.378 -0.462 20 0 CBADHO [NH3+]C1(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001356228492 891741549 /nfs/dbraw/zinc/74/15/49/891741549.db2.gz RYTGSXCGWFAXEO-RYUDHWBXSA-N 1 3 267.373 -0.075 20 0 CBADHO Cc1nnc(CC[NH2+]C[C@H](O)CN2CCCC2)n1C ZINC001357168037 891854356 /nfs/dbraw/zinc/85/43/56/891854356.db2.gz ZAJXHLSSDMPERR-LBPRGKRZSA-N 1 3 267.377 -0.288 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001357445620 891892808 /nfs/dbraw/zinc/89/28/08/891892808.db2.gz MQFCVGQPBNLIHC-NSHDSACASA-N 1 3 254.378 -0.604 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC001357457406 891897536 /nfs/dbraw/zinc/89/75/36/891897536.db2.gz JEXURISTIXVKFE-IVZWLZJFSA-N 1 3 257.334 -0.524 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001357661485 891928360 /nfs/dbraw/zinc/92/83/60/891928360.db2.gz WBEWADADISFAGA-DTWKUNHWSA-N 1 3 261.391 -0.704 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001357810771 891936649 /nfs/dbraw/zinc/93/66/49/891936649.db2.gz MKHJWBKNFDVBRS-LPEHRKFASA-N 1 3 257.334 -0.395 20 0 CBADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001357789100 891938042 /nfs/dbraw/zinc/93/80/42/891938042.db2.gz NWJYELLKBYUZNS-ZDUSSCGKSA-N 1 3 298.431 -0.016 20 0 CBADHO CCCN(CCN(C)C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001357789099 891938139 /nfs/dbraw/zinc/93/81/39/891938139.db2.gz NWJYELLKBYUZNS-CYBMUJFWSA-N 1 3 298.431 -0.016 20 0 CBADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357946539 891949987 /nfs/dbraw/zinc/94/99/87/891949987.db2.gz ZBDZURKDYJJBHJ-NEPJUHHUSA-N 1 3 257.378 -0.067 20 0 CBADHO [NH3+]CC[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC001358252067 891986454 /nfs/dbraw/zinc/98/64/54/891986454.db2.gz UBZWPMVASCWXHS-NEPJUHHUSA-N 1 3 255.362 -0.048 20 0 CBADHO Cc1nccn1CC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC001362133687 892459438 /nfs/dbraw/zinc/45/94/38/892459438.db2.gz KWNXFXFSUGMHQO-GFCCVEGCSA-N 1 3 279.388 -0.056 20 0 CBADHO Cc1nccn1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001362133687 892459444 /nfs/dbraw/zinc/45/94/44/892459444.db2.gz KWNXFXFSUGMHQO-GFCCVEGCSA-N 1 3 279.388 -0.056 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001365786425 895123669 /nfs/dbraw/zinc/12/36/69/895123669.db2.gz UMHIVWDNADBXQP-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001365827113 895127891 /nfs/dbraw/zinc/12/78/91/895127891.db2.gz RGVAGALFESKNQQ-UTUOFQBUSA-N 1 3 284.404 -0.314 20 0 CBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365940037 895145668 /nfs/dbraw/zinc/14/56/68/895145668.db2.gz NIDGTAOFNNIFRV-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971858 895157304 /nfs/dbraw/zinc/15/73/04/895157304.db2.gz CFOTZFPDGDFSBI-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366095278 895188287 /nfs/dbraw/zinc/18/82/87/895188287.db2.gz XXIGNSHLNHUDEG-YNEHKIRRSA-N 1 3 285.388 -0.722 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001366104002 895191125 /nfs/dbraw/zinc/19/11/25/895191125.db2.gz WMABOOHFNGXION-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001366104002 895191131 /nfs/dbraw/zinc/19/11/31/895191131.db2.gz WMABOOHFNGXION-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366182050 895216082 /nfs/dbraw/zinc/21/60/82/895216082.db2.gz ANQXNIXFOOAZQH-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001366288249 895263427 /nfs/dbraw/zinc/26/34/27/895263427.db2.gz PMZKJFNHSGUSDR-NWDGAFQWSA-N 1 3 287.404 -0.428 20 0 CBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(N)=O ZINC001366334728 895284289 /nfs/dbraw/zinc/28/42/89/895284289.db2.gz VZWJJXYGGRLYCD-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CC1 ZINC001366338176 895285648 /nfs/dbraw/zinc/28/56/48/895285648.db2.gz AQYYOPWPRXZITL-LLVKDONJSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358229 895291984 /nfs/dbraw/zinc/29/19/84/895291984.db2.gz NPFHODZCHQPVAA-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358229 895291991 /nfs/dbraw/zinc/29/19/91/895291991.db2.gz NPFHODZCHQPVAA-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(N)=O ZINC001366364345 895293334 /nfs/dbraw/zinc/29/33/34/895293334.db2.gz NXRWKRFNVGGVBS-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366388629 895306286 /nfs/dbraw/zinc/30/62/86/895306286.db2.gz KFJIYWAIMIZHCL-STQMWFEESA-N 1 3 287.404 -0.476 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366396821 895310500 /nfs/dbraw/zinc/31/05/00/895310500.db2.gz XMRCNYCWMRGZQW-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001366508739 895338037 /nfs/dbraw/zinc/33/80/37/895338037.db2.gz LHMQJEDSWZKXQC-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001366508745 895342258 /nfs/dbraw/zinc/34/22/58/895342258.db2.gz LHMQJEDSWZKXQC-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001366775485 895456505 /nfs/dbraw/zinc/45/65/05/895456505.db2.gz NGWNFQXYOZHACM-CYBMUJFWSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001366775489 895457603 /nfs/dbraw/zinc/45/76/03/895457603.db2.gz NGWNFQXYOZHACM-ZDUSSCGKSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001366777514 895462021 /nfs/dbraw/zinc/46/20/21/895462021.db2.gz RTNBMYXZZOESMP-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367015505 895530060 /nfs/dbraw/zinc/53/00/60/895530060.db2.gz HTSUSVYHZDRIRR-QWHCGFSZSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001367270922 895601324 /nfs/dbraw/zinc/60/13/24/895601324.db2.gz HAQDNGFHKOWWOK-AAEUAGOBSA-N 1 3 296.419 -0.003 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001367401857 895632032 /nfs/dbraw/zinc/63/20/32/895632032.db2.gz GFNAVPKWFZDNHD-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001367416948 895636603 /nfs/dbraw/zinc/63/66/03/895636603.db2.gz SFWKXLXXQARAHM-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558100 895662269 /nfs/dbraw/zinc/66/22/69/895662269.db2.gz BRDUZPJNQRXYEP-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001367617529 895704585 /nfs/dbraw/zinc/70/45/85/895704585.db2.gz BVLZVTUVXFOPPT-KGLIPLIRSA-N 1 3 294.399 -0.012 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001367686526 895743245 /nfs/dbraw/zinc/74/32/45/895743245.db2.gz GVGXSLHIONZPHK-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001367696829 895754275 /nfs/dbraw/zinc/75/42/75/895754275.db2.gz AIHQKFJYBBKTSW-WOPDTQHZSA-N 1 3 286.420 -0.102 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001367699080 895756577 /nfs/dbraw/zinc/75/65/77/895756577.db2.gz XTHYKYDYUGOXCW-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711393 895757882 /nfs/dbraw/zinc/75/78/82/895757882.db2.gz FLNDBURUDKBBPC-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711393 895757894 /nfs/dbraw/zinc/75/78/94/895757894.db2.gz FLNDBURUDKBBPC-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001367706795 895761678 /nfs/dbraw/zinc/76/16/78/895761678.db2.gz SMQBKZUTKNATMI-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001367706795 895761686 /nfs/dbraw/zinc/76/16/86/895761686.db2.gz SMQBKZUTKNATMI-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708561 895762282 /nfs/dbraw/zinc/76/22/82/895762282.db2.gz XQMJXPPXBAYSBY-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367708561 895762301 /nfs/dbraw/zinc/76/23/01/895762301.db2.gz XQMJXPPXBAYSBY-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001367755310 895789506 /nfs/dbraw/zinc/78/95/06/895789506.db2.gz MPCCKIKIPWPVCK-QJPTWQEYSA-N 1 3 286.420 -0.069 20 0 CBADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915397 895853765 /nfs/dbraw/zinc/85/37/65/895853765.db2.gz ZSUYAXFDHRPCPH-KOLCDFICSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919994 895853445 /nfs/dbraw/zinc/85/34/45/895853445.db2.gz KABHMEWYBGOBKF-OCCSQVGLSA-N 1 3 298.431 -0.197 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919991 895853947 /nfs/dbraw/zinc/85/39/47/895853947.db2.gz KABHMEWYBGOBKF-GXTWGEPZSA-N 1 3 298.431 -0.197 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001368104038 895915758 /nfs/dbraw/zinc/91/57/58/895915758.db2.gz ALPKPXWDOPNHIN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001368109975 895916981 /nfs/dbraw/zinc/91/69/81/895916981.db2.gz PELGANKJFZZBAZ-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001368117214 895920394 /nfs/dbraw/zinc/92/03/94/895920394.db2.gz ABJITXNPKMMIAE-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001368117214 895920401 /nfs/dbraw/zinc/92/04/01/895920401.db2.gz ABJITXNPKMMIAE-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001368588212 896040837 /nfs/dbraw/zinc/04/08/37/896040837.db2.gz HANGFAYCPQPMPQ-HAQNSBGRSA-N 1 3 298.431 -0.066 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC)[C@@H](C)C1 ZINC001368663837 896054494 /nfs/dbraw/zinc/05/44/94/896054494.db2.gz FLKGJCMWBGHELY-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C ZINC001368661062 896055483 /nfs/dbraw/zinc/05/54/83/896055483.db2.gz UJRWZODNXUYFBF-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001368727287 896066014 /nfs/dbraw/zinc/06/60/14/896066014.db2.gz GFPIMWOOVNSZSZ-ZDUSSCGKSA-N 1 3 287.404 -0.784 20 0 CBADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)N(C)C ZINC001368922262 896110888 /nfs/dbraw/zinc/11/08/88/896110888.db2.gz BZPXKUVGBAUTAF-LLVKDONJSA-N 1 3 286.420 -0.114 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001369178905 896164650 /nfs/dbraw/zinc/16/46/50/896164650.db2.gz GGWBFQSDHJKHPU-ZDEQEGDKSA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001369185855 896167972 /nfs/dbraw/zinc/16/79/72/896167972.db2.gz MVLGMNGCFLEWBH-AVGNSLFASA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001369248317 896182572 /nfs/dbraw/zinc/18/25/72/896182572.db2.gz DMRZMRVOCBSGCH-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(N)=O ZINC001369272153 896185837 /nfs/dbraw/zinc/18/58/37/896185837.db2.gz MJBGIXOQDBUNAC-QWRGUYRKSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369309622 896199538 /nfs/dbraw/zinc/19/95/38/896199538.db2.gz VHYMILXPSMRXJW-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369309622 896199547 /nfs/dbraw/zinc/19/95/47/896199547.db2.gz VHYMILXPSMRXJW-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369312475 896201578 /nfs/dbraw/zinc/20/15/78/896201578.db2.gz ZUXICFUHZNKASH-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369312475 896201596 /nfs/dbraw/zinc/20/15/96/896201596.db2.gz ZUXICFUHZNKASH-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752391 896335915 /nfs/dbraw/zinc/33/59/15/896335915.db2.gz QSOKCRIWQIKYNX-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001370404099 896423712 /nfs/dbraw/zinc/42/37/12/896423712.db2.gz JSQZHUSRQQIDNZ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001370404099 896423717 /nfs/dbraw/zinc/42/37/17/896423717.db2.gz JSQZHUSRQQIDNZ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001370486450 896437167 /nfs/dbraw/zinc/43/71/67/896437167.db2.gz DSOKNHAILLANRG-FIQHERPVSA-N 1 3 284.404 -0.302 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001370667620 896469930 /nfs/dbraw/zinc/46/99/30/896469930.db2.gz ADVKWRJFYNTXBX-JFGNBEQYSA-N 1 3 270.377 -0.705 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001370673736 896472455 /nfs/dbraw/zinc/47/24/55/896472455.db2.gz DCBWPXMKEDKTAZ-TUAOUCFPSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001370673737 896473448 /nfs/dbraw/zinc/47/34/48/896473448.db2.gz DCHOLMIVMRJYEW-XQHKEYJVSA-N 1 3 287.404 -0.429 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001371202823 896576572 /nfs/dbraw/zinc/57/65/72/896576572.db2.gz OHHRSFYZZWQUGN-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361728 896599150 /nfs/dbraw/zinc/59/91/50/896599150.db2.gz GORGCPCHIYQSLF-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001371472952 896619829 /nfs/dbraw/zinc/61/98/29/896619829.db2.gz HZAPHAAPDVTCHW-GXTWGEPZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCC(N)=O ZINC001371472078 896620306 /nfs/dbraw/zinc/62/03/06/896620306.db2.gz ZUWHQAVBQGNCFQ-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001371543535 896632789 /nfs/dbraw/zinc/63/27/89/896632789.db2.gz GEQAHNDUMPPWOB-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371609041 896641950 /nfs/dbraw/zinc/64/19/50/896641950.db2.gz AIIMGRNQZDSDSY-ZDUSSCGKSA-N 1 3 296.415 -0.392 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371609035 896641971 /nfs/dbraw/zinc/64/19/71/896641971.db2.gz AIIMGRNQZDSDSY-CYBMUJFWSA-N 1 3 296.415 -0.392 20 0 CBADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651045 896829815 /nfs/dbraw/zinc/82/98/15/896829815.db2.gz NILDHDWBYXLZDX-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001453511649 914106058 /nfs/dbraw/zinc/10/60/58/914106058.db2.gz WIDJUGYHXXJEED-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001372919068 896903974 /nfs/dbraw/zinc/90/39/74/896903974.db2.gz DNINQBPWUQSBRS-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001372943779 896907218 /nfs/dbraw/zinc/90/72/18/896907218.db2.gz HVWHEEASGAXUEU-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@H](C)C(N)=O)[NH+](C)C ZINC001372940867 896907967 /nfs/dbraw/zinc/90/79/67/896907967.db2.gz AYSWIRNXJDYDGW-GHMZBOCLSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001372945008 896908531 /nfs/dbraw/zinc/90/85/31/896908531.db2.gz JNRCJRRGRMREKP-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001372945008 896908543 /nfs/dbraw/zinc/90/85/43/896908543.db2.gz JNRCJRRGRMREKP-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CCCC1 ZINC001373940540 897138345 /nfs/dbraw/zinc/13/83/45/897138345.db2.gz MEXHJWIDBRGYGZ-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CN1CCCC1 ZINC001374324939 897210706 /nfs/dbraw/zinc/21/07/06/897210706.db2.gz GXWTXSJXASCTDD-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001374333764 897215952 /nfs/dbraw/zinc/21/59/52/897215952.db2.gz ZMMUBOXDKHMFQK-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001374442701 897230700 /nfs/dbraw/zinc/23/07/00/897230700.db2.gz FILWXWCIUMVFFN-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001374442701 897230719 /nfs/dbraw/zinc/23/07/19/897230719.db2.gz FILWXWCIUMVFFN-NWDGAFQWSA-N 1 3 284.404 -0.456 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001374675249 897337068 /nfs/dbraw/zinc/33/70/68/897337068.db2.gz LEELZJXSQZJJKD-MNOVXSKESA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001374675249 897337083 /nfs/dbraw/zinc/33/70/83/897337083.db2.gz LEELZJXSQZJJKD-MNOVXSKESA-N 1 3 298.412 -0.339 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001374705560 897348457 /nfs/dbraw/zinc/34/84/57/897348457.db2.gz RNXNANQMYNLRFZ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)CC[NH+](C)C ZINC001374754465 897375620 /nfs/dbraw/zinc/37/56/20/897375620.db2.gz OHAMRZNNKZQRNW-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374928802 897434167 /nfs/dbraw/zinc/43/41/67/897434167.db2.gz ZXPSPXRNLLYGGT-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374928802 897434175 /nfs/dbraw/zinc/43/41/75/897434175.db2.gz ZXPSPXRNLLYGGT-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001374936483 897437131 /nfs/dbraw/zinc/43/71/31/897437131.db2.gz XOQPWLUPQLWNAM-SRVKXCTJSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001374940497 897438098 /nfs/dbraw/zinc/43/80/98/897438098.db2.gz PSAKELIGSRZWLP-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001374940497 897438108 /nfs/dbraw/zinc/43/81/08/897438108.db2.gz PSAKELIGSRZWLP-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001374962890 897441910 /nfs/dbraw/zinc/44/19/10/897441910.db2.gz YKWKUKFTOQNDMV-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374978252 897446490 /nfs/dbraw/zinc/44/64/90/897446490.db2.gz WZCAHCPFRFRJDH-AAEUAGOBSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374978252 897446495 /nfs/dbraw/zinc/44/64/95/897446495.db2.gz WZCAHCPFRFRJDH-AAEUAGOBSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001375524104 897558366 /nfs/dbraw/zinc/55/83/66/897558366.db2.gz ZVDYQDKZVXRGFZ-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001375524104 897558378 /nfs/dbraw/zinc/55/83/78/897558378.db2.gz ZVDYQDKZVXRGFZ-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)[C@H](C(=O)NCC1(N[C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375531091 897562646 /nfs/dbraw/zinc/56/26/46/897562646.db2.gz OYKSCFCOJMQUEW-GHMZBOCLSA-N 1 3 284.404 -0.315 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001375546841 897563268 /nfs/dbraw/zinc/56/32/68/897563268.db2.gz ZLSWQZWHCPBKIV-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001375546841 897563286 /nfs/dbraw/zinc/56/32/86/897563286.db2.gz ZLSWQZWHCPBKIV-RYUDHWBXSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001375766482 897604318 /nfs/dbraw/zinc/60/43/18/897604318.db2.gz VVTSYXOTGSOEBT-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001375879423 897619575 /nfs/dbraw/zinc/61/95/75/897619575.db2.gz LGZRZLGQQHMIAJ-DOMZBBRYSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001376098864 897651379 /nfs/dbraw/zinc/65/13/79/897651379.db2.gz YCQRCMCDBSIDRY-AWEZNQCLSA-N 1 3 287.404 -0.736 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001376098864 897651390 /nfs/dbraw/zinc/65/13/90/897651390.db2.gz YCQRCMCDBSIDRY-AWEZNQCLSA-N 1 3 287.404 -0.736 20 0 CBADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001376103340 897651559 /nfs/dbraw/zinc/65/15/59/897651559.db2.gz ZIUBRRINYDSXQQ-AWEZNQCLSA-N 1 3 287.404 -0.474 20 0 CBADHO COCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001376103340 897651572 /nfs/dbraw/zinc/65/15/72/897651572.db2.gz ZIUBRRINYDSXQQ-AWEZNQCLSA-N 1 3 287.404 -0.474 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376097494 897652786 /nfs/dbraw/zinc/65/27/86/897652786.db2.gz URNHMVGCVAYPJX-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376097494 897652795 /nfs/dbraw/zinc/65/27/95/897652795.db2.gz URNHMVGCVAYPJX-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO CCC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001376098871 897653772 /nfs/dbraw/zinc/65/37/72/897653772.db2.gz YCQRCMCDBSIDRY-CQSZACIVSA-N 1 3 287.404 -0.736 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001376098871 897653776 /nfs/dbraw/zinc/65/37/76/897653776.db2.gz YCQRCMCDBSIDRY-CQSZACIVSA-N 1 3 287.404 -0.736 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328771 897712952 /nfs/dbraw/zinc/71/29/52/897712952.db2.gz HWEDMDWHYAZSQK-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001376479122 897752180 /nfs/dbraw/zinc/75/21/80/897752180.db2.gz WGVXBNPPPVDGMG-MBNYWOFBSA-N 1 3 298.431 -0.102 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001376601466 897780222 /nfs/dbraw/zinc/78/02/22/897780222.db2.gz IYDPKYFWAREZCR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376609652 897783813 /nfs/dbraw/zinc/78/38/13/897783813.db2.gz LRUNNKWCQXGZLI-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376609652 897783822 /nfs/dbraw/zinc/78/38/22/897783822.db2.gz LRUNNKWCQXGZLI-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001376718630 897822055 /nfs/dbraw/zinc/82/20/55/897822055.db2.gz BCOJXCAETKZZRL-ZYHUDNBSSA-N 1 3 282.388 -0.832 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(N)=O)CC[N@@H+]1C ZINC001376735039 897828363 /nfs/dbraw/zinc/82/83/63/897828363.db2.gz WUTJQVBRCFWVET-GARJFASQSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(N)=O)CC[N@H+]1C ZINC001376735039 897828372 /nfs/dbraw/zinc/82/83/72/897828372.db2.gz WUTJQVBRCFWVET-GARJFASQSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001376801029 897849930 /nfs/dbraw/zinc/84/99/30/897849930.db2.gz MHJPDMHLQDTLSC-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805987 897852111 /nfs/dbraw/zinc/85/21/11/897852111.db2.gz FNKWYBXPTXJMMA-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO NC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001376821553 897855706 /nfs/dbraw/zinc/85/57/06/897855706.db2.gz SWKIKAZJOOBGFX-UHFFFAOYSA-N 1 3 296.415 -0.024 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001376871911 897876785 /nfs/dbraw/zinc/87/67/85/897876785.db2.gz ZSKCHWYSKRQDLN-CHWSQXEVSA-N 1 3 287.404 -0.476 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376882180 897879473 /nfs/dbraw/zinc/87/94/73/897879473.db2.gz NOCJYDKIOHDYDD-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376882180 897879484 /nfs/dbraw/zinc/87/94/84/897879484.db2.gz NOCJYDKIOHDYDD-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001377258953 897991366 /nfs/dbraw/zinc/99/13/66/897991366.db2.gz MFVUHFZIIFVUBW-ZDUSSCGKSA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001377580437 898094523 /nfs/dbraw/zinc/09/45/23/898094523.db2.gz LFPDCQLANGYLOO-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H]1CCNC1=O)[NH+](C)C ZINC001377588456 898096898 /nfs/dbraw/zinc/09/68/98/898096898.db2.gz ILLVCDPHRTXLKN-RYUDHWBXSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001377590173 898097239 /nfs/dbraw/zinc/09/72/39/898097239.db2.gz DRFJWFZJNMKJPZ-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001377589113 898097353 /nfs/dbraw/zinc/09/73/53/898097353.db2.gz HOLKWQXSMCLVJQ-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001377589113 898097368 /nfs/dbraw/zinc/09/73/68/898097368.db2.gz HOLKWQXSMCLVJQ-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](NCCN(C)C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001377598871 898103296 /nfs/dbraw/zinc/10/32/96/898103296.db2.gz DJKPIGSRWMLRAA-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378014056 898198016 /nfs/dbraw/zinc/19/80/16/898198016.db2.gz DAPCAWXHCFTIIO-JSGCOSHPSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378014056 898198021 /nfs/dbraw/zinc/19/80/21/898198021.db2.gz DAPCAWXHCFTIIO-JSGCOSHPSA-N 1 3 299.415 -0.617 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001378261223 898294078 /nfs/dbraw/zinc/29/40/78/898294078.db2.gz XJIKRZFIUCSPEY-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001378261223 898294087 /nfs/dbraw/zinc/29/40/87/898294087.db2.gz XJIKRZFIUCSPEY-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001378395880 898329350 /nfs/dbraw/zinc/32/93/50/898329350.db2.gz LEXBAKVXAOXWIO-HNNXBMFYSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001378506610 898339462 /nfs/dbraw/zinc/33/94/62/898339462.db2.gz VJIWRKWQKIWXNY-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001378512346 898342147 /nfs/dbraw/zinc/34/21/47/898342147.db2.gz MNZFEJQVSFNLTF-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378774018 898408966 /nfs/dbraw/zinc/40/89/66/898408966.db2.gz JCQYUASJVJLFNN-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(N)=O ZINC001379232472 898517211 /nfs/dbraw/zinc/51/72/11/898517211.db2.gz YUSHRPLFUWYYQO-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC001379285704 898536986 /nfs/dbraw/zinc/53/69/86/898536986.db2.gz QCDYDTMXEQYAID-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C(C)C ZINC001379326967 898549814 /nfs/dbraw/zinc/54/98/14/898549814.db2.gz KGWJOHWCPZLVFG-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001379357011 898572544 /nfs/dbraw/zinc/57/25/44/898572544.db2.gz VWAJYVPGQOAVTD-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379552568 898664995 /nfs/dbraw/zinc/66/49/95/898664995.db2.gz QOONQQCQGICDLF-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CC[NH+](C)C ZINC001379552553 898665165 /nfs/dbraw/zinc/66/51/65/898665165.db2.gz QOONQQCQGICDLF-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379582945 898673755 /nfs/dbraw/zinc/67/37/55/898673755.db2.gz RDOZKUVWJKGJKG-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379582945 898673769 /nfs/dbraw/zinc/67/37/69/898673769.db2.gz RDOZKUVWJKGJKG-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001379901021 898755127 /nfs/dbraw/zinc/75/51/27/898755127.db2.gz XJBBHYQQRYBGSF-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001379965500 898775533 /nfs/dbraw/zinc/77/55/33/898775533.db2.gz BYHUQIRGSQIRAG-QWHCGFSZSA-N 1 3 289.420 -0.542 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001379965500 898775543 /nfs/dbraw/zinc/77/55/43/898775543.db2.gz BYHUQIRGSQIRAG-QWHCGFSZSA-N 1 3 289.420 -0.542 20 0 CBADHO CC[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081804 898801807 /nfs/dbraw/zinc/80/18/07/898801807.db2.gz UPFAXZYLJYBQES-UTUOFQBUSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001380081804 898801823 /nfs/dbraw/zinc/80/18/23/898801823.db2.gz UPFAXZYLJYBQES-UTUOFQBUSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNCC(N)=O)CC1 ZINC001380279797 898846210 /nfs/dbraw/zinc/84/62/10/898846210.db2.gz JBRLUKZUCUJPNN-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001380288253 898849918 /nfs/dbraw/zinc/84/99/18/898849918.db2.gz VWGDMYDGVBYKRB-NSHDSACASA-N 1 3 280.372 -0.852 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380572408 898901861 /nfs/dbraw/zinc/90/18/61/898901861.db2.gz MIBOCWOVFWARQT-GXTWGEPZSA-N 1 3 285.388 -0.863 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380572408 898901873 /nfs/dbraw/zinc/90/18/73/898901873.db2.gz MIBOCWOVFWARQT-GXTWGEPZSA-N 1 3 285.388 -0.863 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380572409 898903841 /nfs/dbraw/zinc/90/38/41/898903841.db2.gz MIBOCWOVFWARQT-JSGCOSHPSA-N 1 3 285.388 -0.863 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380572409 898903850 /nfs/dbraw/zinc/90/38/50/898903850.db2.gz MIBOCWOVFWARQT-JSGCOSHPSA-N 1 3 285.388 -0.863 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380689476 898934211 /nfs/dbraw/zinc/93/42/11/898934211.db2.gz PSYWWPWNBJWWBQ-NEPJUHHUSA-N 1 3 284.404 -0.504 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001381124011 898997675 /nfs/dbraw/zinc/99/76/75/898997675.db2.gz PWQXXOYDUCSSFV-NWDGAFQWSA-N 1 3 294.399 -0.735 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001381124012 898998778 /nfs/dbraw/zinc/99/87/78/898998778.db2.gz PWQXXOYDUCSSFV-RYUDHWBXSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC1CC1 ZINC001381103554 898999766 /nfs/dbraw/zinc/99/97/66/898999766.db2.gz MUIKTAJVXPLBKQ-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381102914 899000559 /nfs/dbraw/zinc/00/05/59/899000559.db2.gz LLWWUPAGMRGQAJ-RYUDHWBXSA-N 1 3 296.415 -0.489 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277476 899023160 /nfs/dbraw/zinc/02/31/60/899023160.db2.gz CSSICOTXQZSMNH-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277476 899023174 /nfs/dbraw/zinc/02/31/74/899023174.db2.gz CSSICOTXQZSMNH-NEPJUHHUSA-N 1 3 282.388 -0.606 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437048 899048977 /nfs/dbraw/zinc/04/89/77/899048977.db2.gz KPKGMKNGNPMUNP-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001381437041 899051556 /nfs/dbraw/zinc/05/15/56/899051556.db2.gz KPKGMKNGNPMUNP-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(N)=O ZINC001381484077 899058377 /nfs/dbraw/zinc/05/83/77/899058377.db2.gz XHUQNTUWOKTULR-SNVBAGLBSA-N 1 3 295.387 -0.100 20 0 CBADHO C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001381916362 899131373 /nfs/dbraw/zinc/13/13/73/899131373.db2.gz GNJUSAMBMHWRBA-JSGCOSHPSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N(C)C1CC1 ZINC001382110609 899155940 /nfs/dbraw/zinc/15/59/40/899155940.db2.gz GDJPGKDNAWXSOA-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382320362 899246847 /nfs/dbraw/zinc/24/68/47/899246847.db2.gz UUVJUXFTNLKZAO-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318796 899248191 /nfs/dbraw/zinc/24/81/91/899248191.db2.gz RWVVNDXTXOFQPZ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318793 899248973 /nfs/dbraw/zinc/24/89/73/899248973.db2.gz RWVVNDXTXOFQPZ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385887276 899599261 /nfs/dbraw/zinc/59/92/61/899599261.db2.gz UBMZBZHABIYSFD-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001388686513 899901461 /nfs/dbraw/zinc/90/14/61/899901461.db2.gz YRDLZHDNPPVSBE-TXEJJXNPSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001389198958 899968267 /nfs/dbraw/zinc/96/82/67/899968267.db2.gz ZXYLXGPDIZJFSL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389198958 899968274 /nfs/dbraw/zinc/96/82/74/899968274.db2.gz ZXYLXGPDIZJFSL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001389609365 900049474 /nfs/dbraw/zinc/04/94/74/900049474.db2.gz PBDRKMAQRMLGQP-ZYHUDNBSSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001389693856 900057600 /nfs/dbraw/zinc/05/76/00/900057600.db2.gz QWLNADARUQPQKV-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001389800243 900073708 /nfs/dbraw/zinc/07/37/08/900073708.db2.gz GGORRDXTKKCFCY-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389813161 900076800 /nfs/dbraw/zinc/07/68/00/900076800.db2.gz AKVYMWICLFDMPP-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001389863501 900087028 /nfs/dbraw/zinc/08/70/28/900087028.db2.gz UCXUXUHMRBDHOY-CYDGBPFRSA-N 1 3 296.415 -0.302 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001389883901 900089779 /nfs/dbraw/zinc/08/97/79/900089779.db2.gz MROIYNZHSLNYNA-HAQNSBGRSA-N 1 3 294.403 -0.106 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389997939 900102949 /nfs/dbraw/zinc/10/29/49/900102949.db2.gz ISGHPUONYKMUOD-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001390222173 900126986 /nfs/dbraw/zinc/12/69/86/900126986.db2.gz BFSQAHIBLCGEFG-ODXJTPSBSA-N 1 3 283.416 0.000 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001390222173 900126988 /nfs/dbraw/zinc/12/69/88/900126988.db2.gz BFSQAHIBLCGEFG-ODXJTPSBSA-N 1 3 283.416 0.000 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC)C1 ZINC001390458343 900163993 /nfs/dbraw/zinc/16/39/93/900163993.db2.gz NJCXEPDOCGYDBS-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC)C1 ZINC001390458343 900163998 /nfs/dbraw/zinc/16/39/98/900163998.db2.gz NJCXEPDOCGYDBS-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390535301 900183331 /nfs/dbraw/zinc/18/33/31/900183331.db2.gz DGKKPPNMPQYYPX-VXGBXAGGSA-N 1 3 286.420 -0.102 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001390586838 900193484 /nfs/dbraw/zinc/19/34/84/900193484.db2.gz AJESMORUCOFGOQ-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001390607916 900195621 /nfs/dbraw/zinc/19/56/21/900195621.db2.gz VGFLAOATQQXYPK-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091092 900310156 /nfs/dbraw/zinc/31/01/56/900310156.db2.gz BSVOZQJBYYPTBM-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001391201059 900334554 /nfs/dbraw/zinc/33/45/54/900334554.db2.gz LCCFSDWHMVVIJG-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001391201059 900334557 /nfs/dbraw/zinc/33/45/57/900334557.db2.gz LCCFSDWHMVVIJG-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001391206557 900334799 /nfs/dbraw/zinc/33/47/99/900334799.db2.gz INKDCPUXMHRSNQ-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001391211670 900340104 /nfs/dbraw/zinc/34/01/04/900340104.db2.gz RCXDJUVPKVAJKC-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001391222920 900343697 /nfs/dbraw/zinc/34/36/97/900343697.db2.gz VGEQDDLSFYOORY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391222920 900343707 /nfs/dbraw/zinc/34/37/07/900343707.db2.gz VGEQDDLSFYOORY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001391228920 900346778 /nfs/dbraw/zinc/34/67/78/900346778.db2.gz SBGANVHQGMSYEA-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001391228920 900346795 /nfs/dbraw/zinc/34/67/95/900346795.db2.gz SBGANVHQGMSYEA-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001391726169 900438021 /nfs/dbraw/zinc/43/80/21/900438021.db2.gz VLIATKAESWKXIT-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC1 ZINC001391819955 900450841 /nfs/dbraw/zinc/45/08/41/900450841.db2.gz RXEUONWVTZKADM-CQSZACIVSA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001391862492 900453309 /nfs/dbraw/zinc/45/33/09/900453309.db2.gz NPXWHGDXIYPWSF-YNEHKIRRSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001392047017 900500878 /nfs/dbraw/zinc/50/08/78/900500878.db2.gz CQGLFAQZJJMYEU-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392066874 900505739 /nfs/dbraw/zinc/50/57/39/900505739.db2.gz WKKHUSDTSULFIA-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC ZINC001392116225 900516621 /nfs/dbraw/zinc/51/66/21/900516621.db2.gz JJEKATSUPVNPGV-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC ZINC001392116225 900516633 /nfs/dbraw/zinc/51/66/33/900516633.db2.gz JJEKATSUPVNPGV-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392118553 900517311 /nfs/dbraw/zinc/51/73/11/900517311.db2.gz CRRJLDXSRQDXBP-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001392125063 900518742 /nfs/dbraw/zinc/51/87/42/900518742.db2.gz VUGBHLGYUOPSIC-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001392125063 900518752 /nfs/dbraw/zinc/51/87/52/900518752.db2.gz VUGBHLGYUOPSIC-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392127423 900520847 /nfs/dbraw/zinc/52/08/47/900520847.db2.gz VWPNKKGDMLRZQA-QWRGUYRKSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001392134871 900521661 /nfs/dbraw/zinc/52/16/61/900521661.db2.gz PWIXVLVBZWBRJK-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001392441694 900619209 /nfs/dbraw/zinc/61/92/09/900619209.db2.gz IBGVMNSYLDGYRE-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001392441693 900620915 /nfs/dbraw/zinc/62/09/15/900620915.db2.gz IBGVMNSYLDGYRE-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001392459227 900622581 /nfs/dbraw/zinc/62/25/81/900622581.db2.gz ZQWSLYSXRLIVOQ-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001392483797 900635110 /nfs/dbraw/zinc/63/51/10/900635110.db2.gz PVGBUMBVSPMGCN-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392525157 900648448 /nfs/dbraw/zinc/64/84/48/900648448.db2.gz MPKLJDOTFSOAAS-YPMHNXCESA-N 1 3 286.420 -0.197 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001392524816 900648642 /nfs/dbraw/zinc/64/86/42/900648642.db2.gz QZHNEKOBLQBRJC-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001392568772 900664101 /nfs/dbraw/zinc/66/41/01/900664101.db2.gz DJGOLXREFOAODR-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001392568772 900664106 /nfs/dbraw/zinc/66/41/06/900664106.db2.gz DJGOLXREFOAODR-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001392566942 900664299 /nfs/dbraw/zinc/66/42/99/900664299.db2.gz FRKDMYSFIMVDBI-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001392571534 900665645 /nfs/dbraw/zinc/66/56/45/900665645.db2.gz AIHQKFJYBBKTSW-SDDRHHMPSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001392588952 900671134 /nfs/dbraw/zinc/67/11/34/900671134.db2.gz FOCJWEORKXVDSO-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392608764 900677125 /nfs/dbraw/zinc/67/71/25/900677125.db2.gz SLFVDXLRFBLTEO-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001392796475 900727299 /nfs/dbraw/zinc/72/72/99/900727299.db2.gz DWYVFWARHSXXGO-PWSUYJOCSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001392796475 900727306 /nfs/dbraw/zinc/72/73/06/900727306.db2.gz DWYVFWARHSXXGO-PWSUYJOCSA-N 1 3 282.388 -0.702 20 0 CBADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814317 900731512 /nfs/dbraw/zinc/73/15/12/900731512.db2.gz UOCDXZUUDIJODD-CHWSQXEVSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814317 900731516 /nfs/dbraw/zinc/73/15/16/900731516.db2.gz UOCDXZUUDIJODD-CHWSQXEVSA-N 1 3 296.415 -0.489 20 0 CBADHO NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393039506 900784864 /nfs/dbraw/zinc/78/48/64/900784864.db2.gz CJSFAIOMULZXFC-CHWSQXEVSA-N 1 3 294.399 -0.606 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+](C)C ZINC001393058892 900787662 /nfs/dbraw/zinc/78/76/62/900787662.db2.gz QWTGGSWWSYCLSG-DGCLKSJQSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393380960 900848593 /nfs/dbraw/zinc/84/85/93/900848593.db2.gz BNKOHHGHRWXDFY-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001394004979 900948933 /nfs/dbraw/zinc/94/89/33/900948933.db2.gz URYHNPJPNTXNTF-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001394664343 901112783 /nfs/dbraw/zinc/11/27/83/901112783.db2.gz BLAVGKIMKJJKCD-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001394663050 901113082 /nfs/dbraw/zinc/11/30/82/901113082.db2.gz KNVDJWASPFYTAJ-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670529 901115081 /nfs/dbraw/zinc/11/50/81/901115081.db2.gz OBRQOQWTFFXYJA-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001394667395 901115296 /nfs/dbraw/zinc/11/52/96/901115296.db2.gz IWTSBNLKEDZAPF-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001394670401 901117180 /nfs/dbraw/zinc/11/71/80/901117180.db2.gz LZDIBNLQYXVRSJ-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394832004 901163088 /nfs/dbraw/zinc/16/30/88/901163088.db2.gz LPJSYRJJVYZVIB-WDEREUQCSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394831995 901163212 /nfs/dbraw/zinc/16/32/12/901163212.db2.gz LPJSYRJJVYZVIB-GHMZBOCLSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001397066625 901363470 /nfs/dbraw/zinc/36/34/70/901363470.db2.gz XJXBLMVFJSNEPA-FVCCEPFGSA-N 1 3 298.431 -0.055 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001397930456 901480003 /nfs/dbraw/zinc/48/00/03/901480003.db2.gz WHTNRVJYXMVGDZ-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001397930456 901480012 /nfs/dbraw/zinc/48/00/12/901480012.db2.gz WHTNRVJYXMVGDZ-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001398444665 901540884 /nfs/dbraw/zinc/54/08/84/901540884.db2.gz HSCIKZDGYIPGIP-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001398526727 901549789 /nfs/dbraw/zinc/54/97/89/901549789.db2.gz CEERSULUDJUWBI-RWMBFGLXSA-N 1 3 287.404 -0.476 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398534764 901550669 /nfs/dbraw/zinc/55/06/69/901550669.db2.gz TXZVFMBLBBCWRW-NWDGAFQWSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001398526730 901551222 /nfs/dbraw/zinc/55/12/22/901551222.db2.gz CEERSULUDJUWBI-XQQFMLRXSA-N 1 3 287.404 -0.476 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001398551542 901558711 /nfs/dbraw/zinc/55/87/11/901558711.db2.gz DQTXIFMSVUHXCP-SYQHCUMBSA-N 1 3 299.415 -0.428 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001398625156 901578238 /nfs/dbraw/zinc/57/82/38/901578238.db2.gz MZTYDNYSECYPKG-LOWVWBTDSA-N 1 3 294.403 -0.108 20 0 CBADHO CN(C)C1(C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001398626231 901579308 /nfs/dbraw/zinc/57/93/08/901579308.db2.gz QDPYCRPFRIFJLN-UHFFFAOYSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001398673352 901587900 /nfs/dbraw/zinc/58/79/00/901587900.db2.gz UCXUXUHMRBDHOY-YVECIDJPSA-N 1 3 296.415 -0.302 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001398743037 901599763 /nfs/dbraw/zinc/59/97/63/901599763.db2.gz OCGJRTGUNLHJMV-MNOVXSKESA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763481 901602977 /nfs/dbraw/zinc/60/29/77/901602977.db2.gz OVFPDHMHNBJNJB-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001399163843 901678020 /nfs/dbraw/zinc/67/80/20/901678020.db2.gz OFGVHSQLAPRDSZ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001399258764 901688489 /nfs/dbraw/zinc/68/84/89/901688489.db2.gz XCHJWLDUMNXOEQ-VXGBXAGGSA-N 1 3 284.404 -0.362 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399489784 901734442 /nfs/dbraw/zinc/73/44/42/901734442.db2.gz VSBOLCNBCVUYGV-UONOGXRCSA-N 1 3 299.415 -0.617 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001400063744 901870677 /nfs/dbraw/zinc/87/06/77/901870677.db2.gz FYDRHLSJKSPXRV-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064821 901870708 /nfs/dbraw/zinc/87/07/08/901870708.db2.gz DOGSFOOXEBRMQP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064821 901870715 /nfs/dbraw/zinc/87/07/15/901870715.db2.gz DOGSFOOXEBRMQP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CCC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001400084580 901875511 /nfs/dbraw/zinc/87/55/11/901875511.db2.gz VDTOGNMSWHOKSG-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001400084580 901875516 /nfs/dbraw/zinc/87/55/16/901875516.db2.gz VDTOGNMSWHOKSG-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)CN1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001400166393 901888935 /nfs/dbraw/zinc/88/89/35/901888935.db2.gz AIYAQFDTEJMNRF-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001400307155 901910578 /nfs/dbraw/zinc/91/05/78/901910578.db2.gz GEJKIWLFCAFERZ-IHRRRGAJSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400307155 901910589 /nfs/dbraw/zinc/91/05/89/901910589.db2.gz GEJKIWLFCAFERZ-IHRRRGAJSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001400307159 901911590 /nfs/dbraw/zinc/91/15/90/901911590.db2.gz GEJKIWLFCAFERZ-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400307159 901911597 /nfs/dbraw/zinc/91/15/97/901911597.db2.gz GEJKIWLFCAFERZ-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001400620426 901979304 /nfs/dbraw/zinc/97/93/04/901979304.db2.gz KOUJDUOEHKVSMZ-KBPBESRZSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009181 902040816 /nfs/dbraw/zinc/04/08/16/902040816.db2.gz MICPTJJRPWVNFQ-IAQYHMDHSA-N 1 3 296.415 -0.312 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001401251627 902092033 /nfs/dbraw/zinc/09/20/33/902092033.db2.gz ATPVCQYHCSJFBN-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO Cc1nc([C@H](C)NC[C@H](O)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001401562120 902170384 /nfs/dbraw/zinc/17/03/84/902170384.db2.gz SZQMRRVJIDEJKK-ONGXEEELSA-N 1 3 298.391 -0.807 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401601867 902181721 /nfs/dbraw/zinc/18/17/21/902181721.db2.gz FGDMLEFLXRLQBU-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401609652 902188745 /nfs/dbraw/zinc/18/87/45/902188745.db2.gz LFJANGKTVMSJKN-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)[NH+](C)C ZINC001401678361 902222243 /nfs/dbraw/zinc/22/22/43/902222243.db2.gz BIJWWOTYFVBIMW-OUAUKWLOSA-N 1 3 272.393 -0.459 20 0 CBADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401722194 902243134 /nfs/dbraw/zinc/24/31/34/902243134.db2.gz MYGPNTARRQFAIK-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401722194 902243141 /nfs/dbraw/zinc/24/31/41/902243141.db2.gz MYGPNTARRQFAIK-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001402033416 902342090 /nfs/dbraw/zinc/34/20/90/902342090.db2.gz QYGIJUYTBGOKBA-LLVKDONJSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001402058899 902345159 /nfs/dbraw/zinc/34/51/59/902345159.db2.gz PSRKAZKVWJADNQ-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001402314349 902422775 /nfs/dbraw/zinc/42/27/75/902422775.db2.gz XWOCTTFRINWDCS-RTXFEEFZSA-N 1 3 296.415 -0.443 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001402314349 902422781 /nfs/dbraw/zinc/42/27/81/902422781.db2.gz XWOCTTFRINWDCS-RTXFEEFZSA-N 1 3 296.415 -0.443 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001402371118 902439515 /nfs/dbraw/zinc/43/95/15/902439515.db2.gz GXFZPHQIEUOAGX-LBPRGKRZSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001402371117 902440130 /nfs/dbraw/zinc/44/01/30/902440130.db2.gz GXFZPHQIEUOAGX-GFCCVEGCSA-N 1 3 284.404 -0.443 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001402463109 902457596 /nfs/dbraw/zinc/45/75/96/902457596.db2.gz QCVMAJZHGJLEEB-AAEUAGOBSA-N 1 3 294.399 -0.593 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001402463109 902457610 /nfs/dbraw/zinc/45/76/10/902457610.db2.gz QCVMAJZHGJLEEB-AAEUAGOBSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001402537936 902474646 /nfs/dbraw/zinc/47/46/46/902474646.db2.gz RWUIBJNHMZDLQA-DBIOUOCHSA-N 1 3 270.377 -0.563 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC)C1 ZINC001402787923 902518558 /nfs/dbraw/zinc/51/85/58/902518558.db2.gz NWWFMPICECMMKC-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC)C1 ZINC001402787923 902518572 /nfs/dbraw/zinc/51/85/72/902518572.db2.gz NWWFMPICECMMKC-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC)C1 ZINC001402799537 902523579 /nfs/dbraw/zinc/52/35/79/902523579.db2.gz ZHTJYPNHFLSKFY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC)C1 ZINC001402799537 902523581 /nfs/dbraw/zinc/52/35/81/902523581.db2.gz ZHTJYPNHFLSKFY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001402861495 902543084 /nfs/dbraw/zinc/54/30/84/902543084.db2.gz LXXUVKMSIODBSG-QWRGUYRKSA-N 1 3 272.393 -0.315 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402908714 902559268 /nfs/dbraw/zinc/55/92/68/902559268.db2.gz QAFWVZOAQHTZTR-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001402908714 902559277 /nfs/dbraw/zinc/55/92/77/902559277.db2.gz QAFWVZOAQHTZTR-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001402992616 902586783 /nfs/dbraw/zinc/58/67/83/902586783.db2.gz LEZWWKKQCVCYTK-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001402996579 902587066 /nfs/dbraw/zinc/58/70/66/902587066.db2.gz AJIGMTNLPSSLCS-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001402995322 902587239 /nfs/dbraw/zinc/58/72/39/902587239.db2.gz GWIDKGJNOOXFHU-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403047613 902597457 /nfs/dbraw/zinc/59/74/57/902597457.db2.gz JYFMBHYITKWDNW-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403107086 902615306 /nfs/dbraw/zinc/61/53/06/902615306.db2.gz RXUIPCMPECKQNZ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403156477 902630842 /nfs/dbraw/zinc/63/08/42/902630842.db2.gz DSGFWIDREJOCQO-NSHDSACASA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001403413975 902685314 /nfs/dbraw/zinc/68/53/14/902685314.db2.gz JQHJIIQKUGRCFL-PWSUYJOCSA-N 1 3 282.344 -0.850 20 0 CBADHO CN(CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001403520991 902709823 /nfs/dbraw/zinc/70/98/23/902709823.db2.gz WMHHCDDQCBGWMW-CYBMUJFWSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001403520998 902711733 /nfs/dbraw/zinc/71/17/33/902711733.db2.gz WMHHCDDQCBGWMW-ZDUSSCGKSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001403558767 902734925 /nfs/dbraw/zinc/73/49/25/902734925.db2.gz AEGUAMCTGIZXNS-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC1CC1 ZINC001403621629 902757699 /nfs/dbraw/zinc/75/76/99/902757699.db2.gz DGXSRBLQVZSGTD-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CCC1 ZINC001404025267 902924243 /nfs/dbraw/zinc/92/42/43/902924243.db2.gz RFJPVEZZYLNPHT-UHFFFAOYSA-N 1 3 282.388 -0.465 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001404012298 902926171 /nfs/dbraw/zinc/92/61/71/902926171.db2.gz CGQUTHLLWGHMOJ-GDKBPFBDSA-N 1 3 296.371 -0.462 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001405379691 903159991 /nfs/dbraw/zinc/15/99/91/903159991.db2.gz OJHBVIBQSIKEFE-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO NC(=O)CNC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001405610919 903188913 /nfs/dbraw/zinc/18/89/13/903188913.db2.gz WRJRZDSMXXLKPU-GFCCVEGCSA-N 1 3 294.399 -0.319 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001405871384 903241050 /nfs/dbraw/zinc/24/10/50/903241050.db2.gz ZBFDFZYXXXGCIU-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001405871384 903241060 /nfs/dbraw/zinc/24/10/60/903241060.db2.gz ZBFDFZYXXXGCIU-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405928109 903250045 /nfs/dbraw/zinc/25/00/45/903250045.db2.gz MCSBCYVUUSPWOM-FRRDWIJNSA-N 1 3 298.431 -0.068 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405928109 903250053 /nfs/dbraw/zinc/25/00/53/903250053.db2.gz MCSBCYVUUSPWOM-FRRDWIJNSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@@H](F)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293128 903341386 /nfs/dbraw/zinc/34/13/86/903341386.db2.gz ZGYIMIYVDFXILE-NEPJUHHUSA-N 1 3 287.379 -0.103 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001406310474 903350548 /nfs/dbraw/zinc/35/05/48/903350548.db2.gz UFHPJPHONLBNSS-CYBMUJFWSA-N 1 3 297.403 -0.673 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CCCCN1C ZINC001406321299 903355947 /nfs/dbraw/zinc/35/59/47/903355947.db2.gz GMGUCKAUDXCYKL-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001406326712 903357757 /nfs/dbraw/zinc/35/77/57/903357757.db2.gz MRGCQKRLZLJTNC-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001406373011 903383173 /nfs/dbraw/zinc/38/31/73/903383173.db2.gz GXUYOWHHPOCKOC-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001406373011 903383197 /nfs/dbraw/zinc/38/31/97/903383197.db2.gz GXUYOWHHPOCKOC-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001406503965 903418172 /nfs/dbraw/zinc/41/81/72/903418172.db2.gz SWLBVEZOJQPDAM-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406429502 903399019 /nfs/dbraw/zinc/39/90/19/903399019.db2.gz HVXPBSLKSVYJOT-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406429502 903399036 /nfs/dbraw/zinc/39/90/36/903399036.db2.gz HVXPBSLKSVYJOT-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406433542 903400619 /nfs/dbraw/zinc/40/06/19/903400619.db2.gz SGDSNKHDACQEEK-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001406481944 903414826 /nfs/dbraw/zinc/41/48/26/903414826.db2.gz NGYAMTDDOYZFBU-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001406499387 903419441 /nfs/dbraw/zinc/41/94/41/903419441.db2.gz NLPPXKJPYXHVPV-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001406511410 903423985 /nfs/dbraw/zinc/42/39/85/903423985.db2.gz JSDVISPPAMOQCQ-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO NC(=O)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001406765037 903474530 /nfs/dbraw/zinc/47/45/30/903474530.db2.gz UBUUMNXUNGWZDE-LBPRGKRZSA-N 1 3 294.399 -0.416 20 0 CBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406795992 903478104 /nfs/dbraw/zinc/47/81/04/903478104.db2.gz WKKQKKYOLDFTHG-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406795992 903478120 /nfs/dbraw/zinc/47/81/20/903478120.db2.gz WKKQKKYOLDFTHG-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001406812724 903482466 /nfs/dbraw/zinc/48/24/66/903482466.db2.gz DAAAXWPPLKSEHB-AAEUAGOBSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@H](C)NC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001407000163 903524593 /nfs/dbraw/zinc/52/45/93/903524593.db2.gz PDJDJGHFNDNOSO-RYUDHWBXSA-N 1 3 298.431 -0.055 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001407754849 903656811 /nfs/dbraw/zinc/65/68/11/903656811.db2.gz DUVFWQWJQWHRHI-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001407754849 903656818 /nfs/dbraw/zinc/65/68/18/903656818.db2.gz DUVFWQWJQWHRHI-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408595261 903790299 /nfs/dbraw/zinc/79/02/99/903790299.db2.gz SPTKNHSSLCPHNL-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408595261 903790309 /nfs/dbraw/zinc/79/03/09/903790309.db2.gz SPTKNHSSLCPHNL-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001409108400 903851335 /nfs/dbraw/zinc/85/13/35/903851335.db2.gz QCTPAMKORUOLEA-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001409108400 903851339 /nfs/dbraw/zinc/85/13/39/903851339.db2.gz QCTPAMKORUOLEA-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410336858 904069896 /nfs/dbraw/zinc/06/98/96/904069896.db2.gz WGGGLHCKHOEXRM-QWHCGFSZSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410336858 904069908 /nfs/dbraw/zinc/06/99/08/904069908.db2.gz WGGGLHCKHOEXRM-QWHCGFSZSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001410368362 904083182 /nfs/dbraw/zinc/08/31/82/904083182.db2.gz BEQLIXFCYROKKO-CMPLNLGQSA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001410427294 904093855 /nfs/dbraw/zinc/09/38/55/904093855.db2.gz AEGUAMCTGIZXNS-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410478848 904104792 /nfs/dbraw/zinc/10/47/92/904104792.db2.gz ATONQEJTTINSPH-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410478848 904104785 /nfs/dbraw/zinc/10/47/85/904104785.db2.gz ATONQEJTTINSPH-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C)Cc1cccc(C(=O)NC[C@H](CO)[NH2+]CCO)c1 ZINC001410789830 904187366 /nfs/dbraw/zinc/18/73/66/904187366.db2.gz PSWGZCNRIJZICJ-CQSZACIVSA-N 1 3 295.383 -0.579 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001410868213 904199029 /nfs/dbraw/zinc/19/90/29/904199029.db2.gz VPAOZYIHYXTZFA-MNOVXSKESA-N 1 3 270.377 -0.609 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001410868225 904199171 /nfs/dbraw/zinc/19/91/71/904199171.db2.gz VPAOZYIHYXTZFA-WDEREUQCSA-N 1 3 270.377 -0.609 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410865894 904200461 /nfs/dbraw/zinc/20/04/61/904200461.db2.gz OYTDSUFYBPJTOU-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)CC[N@@H+]1C ZINC001411171585 904250506 /nfs/dbraw/zinc/25/05/06/904250506.db2.gz RFZUTKSALTVDKZ-FRRDWIJNSA-N 1 3 287.404 -0.930 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)CC[N@H+]1C ZINC001411171585 904250530 /nfs/dbraw/zinc/25/05/30/904250530.db2.gz RFZUTKSALTVDKZ-FRRDWIJNSA-N 1 3 287.404 -0.930 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218530 904260940 /nfs/dbraw/zinc/26/09/40/904260940.db2.gz PYDKQCIJSQNRHT-NEPJUHHUSA-N 1 3 298.431 -0.066 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218530 904260948 /nfs/dbraw/zinc/26/09/48/904260948.db2.gz PYDKQCIJSQNRHT-NEPJUHHUSA-N 1 3 298.431 -0.066 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218535 904263734 /nfs/dbraw/zinc/26/37/34/904263734.db2.gz PYDKQCIJSQNRHT-VXGBXAGGSA-N 1 3 298.431 -0.066 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218535 904263748 /nfs/dbraw/zinc/26/37/48/904263748.db2.gz PYDKQCIJSQNRHT-VXGBXAGGSA-N 1 3 298.431 -0.066 20 0 CBADHO COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001413004280 904860144 /nfs/dbraw/zinc/86/01/44/904860144.db2.gz APQFDUJFLMMJTC-JSGCOSHPSA-N 1 3 299.415 -0.522 20 0 CBADHO COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001413004280 904860161 /nfs/dbraw/zinc/86/01/61/904860161.db2.gz APQFDUJFLMMJTC-JSGCOSHPSA-N 1 3 299.415 -0.522 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001415616603 905649397 /nfs/dbraw/zinc/64/93/97/905649397.db2.gz YJSYWLJATLFIRV-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001416029106 905693982 /nfs/dbraw/zinc/69/39/82/905693982.db2.gz HSWHIDUDWMERLC-YPMHNXCESA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001416029106 905693986 /nfs/dbraw/zinc/69/39/86/905693986.db2.gz HSWHIDUDWMERLC-YPMHNXCESA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001416029105 905694359 /nfs/dbraw/zinc/69/43/59/905694359.db2.gz HSWHIDUDWMERLC-AAEUAGOBSA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001416029105 905694364 /nfs/dbraw/zinc/69/43/64/905694364.db2.gz HSWHIDUDWMERLC-AAEUAGOBSA-N 1 3 296.415 -0.395 20 0 CBADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001417245712 905882529 /nfs/dbraw/zinc/88/25/29/905882529.db2.gz PNJQOGFTVYHDBI-ZDUSSCGKSA-N 1 3 296.415 -0.299 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001418007900 906134434 /nfs/dbraw/zinc/13/44/34/906134434.db2.gz BXGZWFFUCJGOAQ-ZYHUDNBSSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001418007900 906134440 /nfs/dbraw/zinc/13/44/40/906134440.db2.gz BXGZWFFUCJGOAQ-ZYHUDNBSSA-N 1 3 282.388 -0.702 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418237629 906231413 /nfs/dbraw/zinc/23/14/13/906231413.db2.gz PRPOLJUVUBWJJQ-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001418264843 906246080 /nfs/dbraw/zinc/24/60/80/906246080.db2.gz DGOZHFBVYZALOV-JQWIXIFHSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001418264633 906249508 /nfs/dbraw/zinc/24/95/08/906249508.db2.gz CVFAPYPFZAKBMH-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001418272459 906251683 /nfs/dbraw/zinc/25/16/83/906251683.db2.gz CFSJXMZHMHVDPF-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001418314908 906277910 /nfs/dbraw/zinc/27/79/10/906277910.db2.gz VMMNCTHZGOIRJQ-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001418817103 906485370 /nfs/dbraw/zinc/48/53/70/906485370.db2.gz QZAZVZKHTNVGCC-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001418828686 906488581 /nfs/dbraw/zinc/48/85/81/906488581.db2.gz NGHRUBXKAPBOCK-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001418833354 906489771 /nfs/dbraw/zinc/48/97/71/906489771.db2.gz UPGWTKRRKSIKSO-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001418833354 906489781 /nfs/dbraw/zinc/48/97/81/906489781.db2.gz UPGWTKRRKSIKSO-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC ZINC001419190782 906634867 /nfs/dbraw/zinc/63/48/67/906634867.db2.gz FNASHDWYZFPZPY-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001419224729 906640137 /nfs/dbraw/zinc/64/01/37/906640137.db2.gz RVRHVCJZEIZETB-ZYHUDNBSSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419412193 906682862 /nfs/dbraw/zinc/68/28/62/906682862.db2.gz JQIFXXMFYXUROK-RNJOBUHISA-N 1 3 296.415 -0.301 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001419416302 906683272 /nfs/dbraw/zinc/68/32/72/906683272.db2.gz ZECGBALSDYCXOC-AVGNSLFASA-N 1 3 294.403 -0.145 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419516839 906710629 /nfs/dbraw/zinc/71/06/29/906710629.db2.gz WLTADIXUFQGGIT-STQMWFEESA-N 1 3 298.431 -0.194 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001419519688 906710681 /nfs/dbraw/zinc/71/06/81/906710681.db2.gz NQJURVKHCZESIU-YVECIDJPSA-N 1 3 296.415 -0.206 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001419617798 906743856 /nfs/dbraw/zinc/74/38/56/906743856.db2.gz AXNAZWRXTVKKOY-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419617798 906743862 /nfs/dbraw/zinc/74/38/62/906743862.db2.gz AXNAZWRXTVKKOY-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001419667104 906761570 /nfs/dbraw/zinc/76/15/70/906761570.db2.gz MPRLLIWURBWNLJ-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC)CC[N@@H+]1C ZINC001419676077 906764718 /nfs/dbraw/zinc/76/47/18/906764718.db2.gz PRZLQUOGJYSZSW-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC)CC[N@H+]1C ZINC001419676077 906764736 /nfs/dbraw/zinc/76/47/36/906764736.db2.gz PRZLQUOGJYSZSW-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705704 906773525 /nfs/dbraw/zinc/77/35/25/906773525.db2.gz RPVKPVWXIJTCHW-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419749318 906801314 /nfs/dbraw/zinc/80/13/14/906801314.db2.gz RVKCKJXEQIWBMM-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419749318 906801324 /nfs/dbraw/zinc/80/13/24/906801324.db2.gz RVKCKJXEQIWBMM-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419749308 906804345 /nfs/dbraw/zinc/80/43/45/906804345.db2.gz RVKCKJXEQIWBMM-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419749308 906804363 /nfs/dbraw/zinc/80/43/63/906804363.db2.gz RVKCKJXEQIWBMM-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905276 906854056 /nfs/dbraw/zinc/85/40/56/906854056.db2.gz QUMWITBUHYYBRA-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001419962278 906876039 /nfs/dbraw/zinc/87/60/39/906876039.db2.gz IQDLCURUSQISKD-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001420161611 906978665 /nfs/dbraw/zinc/97/86/65/906978665.db2.gz COMJJKMPPBNISA-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001420304601 907084145 /nfs/dbraw/zinc/08/41/45/907084145.db2.gz AIHQKFJYBBKTSW-GRYCIOLGSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420374205 907126776 /nfs/dbraw/zinc/12/67/76/907126776.db2.gz SLFVDXLRFBLTEO-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001420444586 907165270 /nfs/dbraw/zinc/16/52/70/907165270.db2.gz MSRYSXGOOVBKOV-WDEREUQCSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001420467523 907175352 /nfs/dbraw/zinc/17/53/52/907175352.db2.gz HWVDFQQKUYJVNP-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001420499410 907184422 /nfs/dbraw/zinc/18/44/22/907184422.db2.gz GHWWHGCJESRXPS-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001420730923 907282039 /nfs/dbraw/zinc/28/20/39/907282039.db2.gz XIWLFOPATBDNLW-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001421165892 907448391 /nfs/dbraw/zinc/44/83/91/907448391.db2.gz DHRRLIAMUDUXTE-CQSZACIVSA-N 1 3 299.415 -0.617 20 0 CBADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)N(C)C)N(C)C ZINC001421421521 907539458 /nfs/dbraw/zinc/53/94/58/907539458.db2.gz QCBXUWRHTAIWNR-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448814 907550943 /nfs/dbraw/zinc/55/09/43/907550943.db2.gz HVTDYXOBHSCCEC-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001421448809 907551002 /nfs/dbraw/zinc/55/10/02/907551002.db2.gz HVTDYXOBHSCCEC-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N1CCCC1 ZINC001502069562 921333524 /nfs/dbraw/zinc/33/35/24/921333524.db2.gz YEGNYMJTKDIDQB-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)NC ZINC001421503453 907570376 /nfs/dbraw/zinc/57/03/76/907570376.db2.gz UFBXMCLWYWHJAI-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421945184 907687552 /nfs/dbraw/zinc/68/75/52/907687552.db2.gz ZOGRZWTZEUESHE-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001502205572 921347017 /nfs/dbraw/zinc/34/70/17/921347017.db2.gz GZELUMCKVNDZHJ-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001502205572 921347033 /nfs/dbraw/zinc/34/70/33/921347033.db2.gz GZELUMCKVNDZHJ-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(N)=O ZINC001422135770 907725978 /nfs/dbraw/zinc/72/59/78/907725978.db2.gz NLVPYXFXVFFPFJ-RYUDHWBXSA-N 1 3 286.420 -0.069 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422458135 907867236 /nfs/dbraw/zinc/86/72/36/907867236.db2.gz JNIGZSDDYTYADP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422458135 907867255 /nfs/dbraw/zinc/86/72/55/907867255.db2.gz JNIGZSDDYTYADP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001422587695 907934875 /nfs/dbraw/zinc/93/48/75/907934875.db2.gz YHSLJESTCCNOCZ-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CCC[NH+](C)C ZINC001422550907 907918735 /nfs/dbraw/zinc/91/87/35/907918735.db2.gz MYNQRQFUTXEBAQ-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001422650598 907965139 /nfs/dbraw/zinc/96/51/39/907965139.db2.gz QDYVIWHHBNMFJH-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)CC[N@H+]1C ZINC001422650598 907965149 /nfs/dbraw/zinc/96/51/49/907965149.db2.gz QDYVIWHHBNMFJH-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001422661786 907970166 /nfs/dbraw/zinc/97/01/66/907970166.db2.gz UXEJTPPDGXPVLF-SDDRHHMPSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O)[NH+](C)C ZINC001422676850 907972112 /nfs/dbraw/zinc/97/21/12/907972112.db2.gz XLZLGKFVXVJOJN-TUAOUCFPSA-N 1 3 284.404 -0.445 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422698268 907975445 /nfs/dbraw/zinc/97/54/45/907975445.db2.gz TYHLADQZMNRHED-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422912801 908059294 /nfs/dbraw/zinc/05/92/94/908059294.db2.gz HEMJKXZXLXIWNV-SRVKXCTJSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001422997174 908074057 /nfs/dbraw/zinc/07/40/57/908074057.db2.gz CFCGMPQCNJHOPO-ZYHUDNBSSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001423171944 908126177 /nfs/dbraw/zinc/12/61/77/908126177.db2.gz VUXNLWCPBWNVQZ-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001502738475 921387202 /nfs/dbraw/zinc/38/72/02/921387202.db2.gz PALGFESRVLCHNK-YPMHNXCESA-N 1 3 296.415 -0.489 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001423353590 908210447 /nfs/dbraw/zinc/21/04/47/908210447.db2.gz YXFOGLHPYSFYPY-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001423353590 908210458 /nfs/dbraw/zinc/21/04/58/908210458.db2.gz YXFOGLHPYSFYPY-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406485 908221038 /nfs/dbraw/zinc/22/10/38/908221038.db2.gz USQKHKRVHRVWRT-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001423453120 908243898 /nfs/dbraw/zinc/24/38/98/908243898.db2.gz LZYQGFQPGZJNQT-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001423453120 908243909 /nfs/dbraw/zinc/24/39/09/908243909.db2.gz LZYQGFQPGZJNQT-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423472724 908247447 /nfs/dbraw/zinc/24/74/47/908247447.db2.gz DFWYHOSGSUKBLC-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001423493616 908257473 /nfs/dbraw/zinc/25/74/73/908257473.db2.gz XFLKEVJIGCYYBI-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001423694733 908302539 /nfs/dbraw/zinc/30/25/39/908302539.db2.gz YQGGACNNYUFQDI-NWINJMCUSA-N 1 3 299.415 -0.333 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001423696752 908303822 /nfs/dbraw/zinc/30/38/22/908303822.db2.gz QDILSAPVYLNREZ-VOMCLLRMSA-N 1 3 284.404 -0.221 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001423696751 908305214 /nfs/dbraw/zinc/30/52/14/908305214.db2.gz QDILSAPVYLNREZ-UNXYVOJBSA-N 1 3 284.404 -0.221 20 0 CBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001423681393 908306066 /nfs/dbraw/zinc/30/60/66/908306066.db2.gz GWWCBDMSLUXHTI-ILDUYXDCSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424408318 908454082 /nfs/dbraw/zinc/45/40/82/908454082.db2.gz IRGSZQSKGHOMLF-ZFWWWQNUSA-N 1 3 299.415 -0.736 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424733233 908492581 /nfs/dbraw/zinc/49/25/81/908492581.db2.gz GRJFANAGNATLDK-WXRRBKDZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001424724581 908492645 /nfs/dbraw/zinc/49/26/45/908492645.db2.gz JHAQDBNXJHWMTD-UNXYVOJBSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H](C)C(=O)NC)C1 ZINC001424753862 908497591 /nfs/dbraw/zinc/49/75/91/908497591.db2.gz QVXCROLPHWTBLD-PNESKVBLSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001425594001 908679823 /nfs/dbraw/zinc/67/98/23/908679823.db2.gz KIPCVMLJYOAXOA-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N(C)C ZINC001425656574 908686783 /nfs/dbraw/zinc/68/67/83/908686783.db2.gz OJXZYBLKTANZQO-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N(C)C ZINC001425656574 908686793 /nfs/dbraw/zinc/68/67/93/908686793.db2.gz OJXZYBLKTANZQO-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001425656574 908686800 /nfs/dbraw/zinc/68/68/00/908686800.db2.gz OJXZYBLKTANZQO-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001425909328 908778919 /nfs/dbraw/zinc/77/89/19/908778919.db2.gz ZSSRLOFBIHLWPJ-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425953462 908786468 /nfs/dbraw/zinc/78/64/68/908786468.db2.gz CFWDKOASCBNHOB-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680098 921463046 /nfs/dbraw/zinc/46/30/46/921463046.db2.gz ZGLDRGMKPMENCY-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505682588 921467363 /nfs/dbraw/zinc/46/73/63/921467363.db2.gz UIIPPLQSTUWXLE-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428631283 909152157 /nfs/dbraw/zinc/15/21/57/909152157.db2.gz PPGFRXMVTQUECU-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428631283 909152169 /nfs/dbraw/zinc/15/21/69/909152169.db2.gz PPGFRXMVTQUECU-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001429550408 909259405 /nfs/dbraw/zinc/25/94/05/909259405.db2.gz WNZSHZJCXBGQLL-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001436827773 910493062 /nfs/dbraw/zinc/49/30/62/910493062.db2.gz NRIHXICEQFXFPU-GFCCVEGCSA-N 1 3 294.399 -0.687 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001436825277 910494486 /nfs/dbraw/zinc/49/44/86/910494486.db2.gz HHANCZUJKPUTQZ-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001436825277 910494494 /nfs/dbraw/zinc/49/44/94/910494494.db2.gz HHANCZUJKPUTQZ-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001436967937 910518396 /nfs/dbraw/zinc/51/83/96/910518396.db2.gz YJZZUVFDLYBCEG-PHIMTYICSA-N 1 3 280.376 -0.496 20 0 CBADHO CC[C@H]([NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001437143294 910566865 /nfs/dbraw/zinc/56/68/65/910566865.db2.gz FPLIFILXXRZFPI-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437199548 910583954 /nfs/dbraw/zinc/58/39/54/910583954.db2.gz CSBADRDNAXBOPL-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CCCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437198388 910584196 /nfs/dbraw/zinc/58/41/96/910584196.db2.gz BNOXRYFTDUEKFX-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437202946 910584308 /nfs/dbraw/zinc/58/43/08/910584308.db2.gz QWMMZRXJBMBNPE-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001437213898 910586630 /nfs/dbraw/zinc/58/66/30/910586630.db2.gz JXSLNRHLTVHNSG-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)CN(C)C(C)C)C(N)=O ZINC001437264730 910602788 /nfs/dbraw/zinc/60/27/88/910602788.db2.gz XETFUZMQYBMMGO-GHMZBOCLSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@H]([NH2+][C@H](C)CNC(=O)CN(C)C(C)C)C(N)=O ZINC001437264732 910603485 /nfs/dbraw/zinc/60/34/85/910603485.db2.gz XETFUZMQYBMMGO-MNOVXSKESA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)C(N)=O ZINC001437264868 910603850 /nfs/dbraw/zinc/60/38/50/910603850.db2.gz XETFUZMQYBMMGO-WDEREUQCSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991392 910791747 /nfs/dbraw/zinc/79/17/47/910791747.db2.gz MCDSFUTYAIZWPU-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001438214640 910849594 /nfs/dbraw/zinc/84/95/94/910849594.db2.gz AAJHKJZVKCYBKU-YNEHKIRRSA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001438214640 910849606 /nfs/dbraw/zinc/84/96/06/910849606.db2.gz AAJHKJZVKCYBKU-YNEHKIRRSA-N 1 3 285.388 -0.864 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(N)=O ZINC001438345907 910881913 /nfs/dbraw/zinc/88/19/13/910881913.db2.gz MKARVVXXBKPTMG-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC ZINC001438349291 910882719 /nfs/dbraw/zinc/88/27/19/910882719.db2.gz SZQXHTLRSHJMSL-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC ZINC001438349291 910882732 /nfs/dbraw/zinc/88/27/32/910882732.db2.gz SZQXHTLRSHJMSL-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438381255 910886553 /nfs/dbraw/zinc/88/65/53/910886553.db2.gz WPHQUYFRSNXGCL-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438381255 910886562 /nfs/dbraw/zinc/88/65/62/910886562.db2.gz WPHQUYFRSNXGCL-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001438545766 910918959 /nfs/dbraw/zinc/91/89/59/910918959.db2.gz QWGRXTZDOJMJDG-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001506837748 921626786 /nfs/dbraw/zinc/62/67/86/921626786.db2.gz TUMXEHAGUZNJOK-QWHCGFSZSA-N 1 3 299.415 -0.332 20 0 CBADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O ZINC001439081096 911086446 /nfs/dbraw/zinc/08/64/46/911086446.db2.gz FMIWFTZOGSYXES-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439179253 911128555 /nfs/dbraw/zinc/12/85/55/911128555.db2.gz RQOFNCNVOKCALM-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439179253 911128578 /nfs/dbraw/zinc/12/85/78/911128578.db2.gz RQOFNCNVOKCALM-NEPJUHHUSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439179255 911130239 /nfs/dbraw/zinc/13/02/39/911130239.db2.gz RQOFNCNVOKCALM-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439179255 911130254 /nfs/dbraw/zinc/13/02/54/911130254.db2.gz RQOFNCNVOKCALM-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439239295 911155170 /nfs/dbraw/zinc/15/51/70/911155170.db2.gz LFGOXIFDINLAMO-QJPTWQEYSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439239295 911155187 /nfs/dbraw/zinc/15/51/87/911155187.db2.gz LFGOXIFDINLAMO-QJPTWQEYSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001439781976 911288856 /nfs/dbraw/zinc/28/88/56/911288856.db2.gz GKHKEWUHVPZINR-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001439889412 911305185 /nfs/dbraw/zinc/30/51/85/911305185.db2.gz LPCRNCXLXJPSMO-OAHLLOKOSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CCOC)C1 ZINC001440024438 911349355 /nfs/dbraw/zinc/34/93/55/911349355.db2.gz RIXWZQOFNQDUOQ-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001440024438 911349376 /nfs/dbraw/zinc/34/93/76/911349376.db2.gz RIXWZQOFNQDUOQ-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO COCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440701425 911492117 /nfs/dbraw/zinc/49/21/17/911492117.db2.gz BVIJAQHCXBYJNK-CYBMUJFWSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001440701425 911492128 /nfs/dbraw/zinc/49/21/28/911492128.db2.gz BVIJAQHCXBYJNK-CYBMUJFWSA-N 1 3 299.415 -0.472 20 0 CBADHO CN(CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441218628 911626857 /nfs/dbraw/zinc/62/68/57/911626857.db2.gz AGWGQSRXWHHIRP-GFCCVEGCSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001441439947 911670000 /nfs/dbraw/zinc/67/00/00/911670000.db2.gz NHASUJAEDRYOHH-JHJVBQTASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCNC1=O ZINC001441593285 911713193 /nfs/dbraw/zinc/71/31/93/911713193.db2.gz NFPNVBFFERSFLN-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001441657978 911726518 /nfs/dbraw/zinc/72/65/18/911726518.db2.gz YOWBYRQADMFNJC-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001441657978 911726529 /nfs/dbraw/zinc/72/65/29/911726529.db2.gz YOWBYRQADMFNJC-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCNC1=O ZINC001507150550 921692765 /nfs/dbraw/zinc/69/27/65/921692765.db2.gz YOSSUSHKZQMFKZ-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001441829403 911827409 /nfs/dbraw/zinc/82/74/09/911827409.db2.gz GBFGTGSUHDJRCA-WDEREUQCSA-N 1 3 270.377 -0.609 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936966 911859775 /nfs/dbraw/zinc/85/97/75/911859775.db2.gz QLNLDLHSQIYBCY-NEPJUHHUSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936966 911859786 /nfs/dbraw/zinc/85/97/86/911859786.db2.gz QLNLDLHSQIYBCY-NEPJUHHUSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(C)C1=O ZINC001442005620 911890665 /nfs/dbraw/zinc/89/06/65/911890665.db2.gz GCPTZHXFWLGBRO-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001442103499 911925452 /nfs/dbraw/zinc/92/54/52/911925452.db2.gz JBSVXMGLDOJJEM-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)N(C)C ZINC001442158946 911943619 /nfs/dbraw/zinc/94/36/19/911943619.db2.gz YGHZBYRLJCMNQQ-GHMZBOCLSA-N 1 3 286.420 -0.068 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001443073405 912147195 /nfs/dbraw/zinc/14/71/95/912147195.db2.gz DHUXPOMKYBDXEG-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001443073405 912147204 /nfs/dbraw/zinc/14/72/04/912147204.db2.gz DHUXPOMKYBDXEG-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001443079347 912149240 /nfs/dbraw/zinc/14/92/40/912149240.db2.gz PJGGVMPBWBDNQJ-UTUOFQBUSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001443079347 912149243 /nfs/dbraw/zinc/14/92/43/912149243.db2.gz PJGGVMPBWBDNQJ-UTUOFQBUSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)N(C)C ZINC001443087993 912153031 /nfs/dbraw/zinc/15/30/31/912153031.db2.gz RHTYUXHCMGUGJZ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001443090026 912153472 /nfs/dbraw/zinc/15/34/72/912153472.db2.gz IOIPROSBISUOCF-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443090026 912153487 /nfs/dbraw/zinc/15/34/87/912153487.db2.gz IOIPROSBISUOCF-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001443099390 912155256 /nfs/dbraw/zinc/15/52/56/912155256.db2.gz JDXDIGOVKFOJTA-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443107761 912156072 /nfs/dbraw/zinc/15/60/72/912156072.db2.gz ZDXOAQGYNJWXBU-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443107761 912156086 /nfs/dbraw/zinc/15/60/86/912156086.db2.gz ZDXOAQGYNJWXBU-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443107770 912157518 /nfs/dbraw/zinc/15/75/18/912157518.db2.gz ZDXOAQGYNJWXBU-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443107770 912157524 /nfs/dbraw/zinc/15/75/24/912157524.db2.gz ZDXOAQGYNJWXBU-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443107795 912157773 /nfs/dbraw/zinc/15/77/73/912157773.db2.gz ZDXOAQGYNJWXBU-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001443107795 912157779 /nfs/dbraw/zinc/15/77/79/912157779.db2.gz ZDXOAQGYNJWXBU-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443099114 912158651 /nfs/dbraw/zinc/15/86/51/912158651.db2.gz KPMMNLJPYSASNN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001443099114 912158658 /nfs/dbraw/zinc/15/86/58/912158658.db2.gz KPMMNLJPYSASNN-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001443108414 912161386 /nfs/dbraw/zinc/16/13/86/912161386.db2.gz ZNWWXDUIVHMWSU-NSHDSACASA-N 1 3 280.372 -0.981 20 0 CBADHO Cc1nccn1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001465079306 915032029 /nfs/dbraw/zinc/03/20/29/915032029.db2.gz DJTQEQTZYQYDEB-GFCCVEGCSA-N 1 3 265.361 -0.446 20 0 CBADHO Cc1nccn1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001465079306 915032013 /nfs/dbraw/zinc/03/20/13/915032013.db2.gz DJTQEQTZYQYDEB-GFCCVEGCSA-N 1 3 265.361 -0.446 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001472626945 915755101 /nfs/dbraw/zinc/75/51/01/915755101.db2.gz OGZJDKKTZCLYJJ-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001472626945 915755117 /nfs/dbraw/zinc/75/51/17/915755117.db2.gz OGZJDKKTZCLYJJ-UONOGXRCSA-N 1 3 280.416 -0.023 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001480460870 916422270 /nfs/dbraw/zinc/42/22/70/916422270.db2.gz XZMPSCDYSZHWGN-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001480460870 916422279 /nfs/dbraw/zinc/42/22/79/916422279.db2.gz XZMPSCDYSZHWGN-QWRGUYRKSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(N)=O)[NH+](C)C ZINC001480574630 916478936 /nfs/dbraw/zinc/47/89/36/916478936.db2.gz GSXZLUPXBZAMIZ-ONGXEEELSA-N 1 3 258.366 -0.848 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001480566091 916477830 /nfs/dbraw/zinc/47/78/30/916477830.db2.gz QZCHGIZMSXPLHI-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001480566091 916477834 /nfs/dbraw/zinc/47/78/34/916477834.db2.gz QZCHGIZMSXPLHI-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCO)C1)N(C)C ZINC001480616582 916495583 /nfs/dbraw/zinc/49/55/83/916495583.db2.gz VRUDFASRFSJKBH-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480621966 916501430 /nfs/dbraw/zinc/50/14/30/916501430.db2.gz IRVDIJAPPVEBTI-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480621966 916501445 /nfs/dbraw/zinc/50/14/45/916501445.db2.gz IRVDIJAPPVEBTI-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001481239767 916779749 /nfs/dbraw/zinc/77/97/49/916779749.db2.gz YFKQLGYNSDOJRY-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001481246686 916783880 /nfs/dbraw/zinc/78/38/80/916783880.db2.gz XLPCKPPUAHQWAD-WDEREUQCSA-N 1 3 298.387 -0.820 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481873588 917011484 /nfs/dbraw/zinc/01/14/84/917011484.db2.gz BFHQWJSQCYIVSS-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481873588 917011499 /nfs/dbraw/zinc/01/14/99/917011499.db2.gz BFHQWJSQCYIVSS-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001481996869 917029428 /nfs/dbraw/zinc/02/94/28/917029428.db2.gz OAOOGOAXWMOPFU-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001482325835 917125849 /nfs/dbraw/zinc/12/58/49/917125849.db2.gz MSFMMJMECCRULY-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495835 917151987 /nfs/dbraw/zinc/15/19/87/917151987.db2.gz STZFTGSFJDQYBL-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001482840643 917309797 /nfs/dbraw/zinc/30/97/97/917309797.db2.gz YCOUDFUPFQXOJX-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001482901024 917328188 /nfs/dbraw/zinc/32/81/88/917328188.db2.gz IKIJTILJHAKHSS-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054195 917393292 /nfs/dbraw/zinc/39/32/92/917393292.db2.gz KPZYOINKVAJDKX-LWTINBJPSA-N 1 3 256.350 -0.926 20 0 CBADHO CC[C@H]([NH2+]C/C=C\CNC(=O)CN1CCCC1)C(N)=O ZINC001483093631 917404520 /nfs/dbraw/zinc/40/45/20/917404520.db2.gz SARSTZHDWBVARC-MVZIDQBPSA-N 1 3 282.388 -0.392 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156912 917439217 /nfs/dbraw/zinc/43/92/17/917439217.db2.gz UQFAVUQURTZTBW-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001483162477 917445478 /nfs/dbraw/zinc/44/54/78/917445478.db2.gz FVHKZRULMZYGRS-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](C[NH2+]CCn1cncn1)NC(=O)CN1CC[C@H](C)C1 ZINC001483166372 917448283 /nfs/dbraw/zinc/44/82/83/917448283.db2.gz GUIHWJUTEDBHDP-QWHCGFSZSA-N 1 3 294.403 -0.286 20 0 CBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483261052 917499762 /nfs/dbraw/zinc/49/97/62/917499762.db2.gz SHUCXVDYJVMQCD-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284768 917504574 /nfs/dbraw/zinc/50/45/74/917504574.db2.gz SRVVVTMGGCANAD-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001483947268 917712321 /nfs/dbraw/zinc/71/23/21/917712321.db2.gz XGCHQRGEQNRWMR-JQWIXIFHSA-N 1 3 266.345 -0.086 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484368141 917836531 /nfs/dbraw/zinc/83/65/31/917836531.db2.gz BUMLWMAWSPQTNM-NEPJUHHUSA-N 1 3 296.415 -0.360 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001484538939 917886007 /nfs/dbraw/zinc/88/60/07/917886007.db2.gz IJGTXJQAHUUGNG-LLVKDONJSA-N 1 3 266.345 -0.227 20 0 CBADHO CC[C@@H](C(=O)NCC1([NH2+]CCO)CCC1)N(C)C ZINC001484660550 917908098 /nfs/dbraw/zinc/90/80/98/917908098.db2.gz JIPJERZCFIGHSE-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H](CNCC(N)=O)C1CC1 ZINC001485832415 918199570 /nfs/dbraw/zinc/19/95/70/918199570.db2.gz NIKQXMXQLXDSHI-GFCCVEGCSA-N 1 3 294.399 -0.606 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)N1CCC1 ZINC001485916123 918227719 /nfs/dbraw/zinc/22/77/19/918227719.db2.gz KLEHNJGZRHFKLD-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H](C)C(=O)N(C)C ZINC001485920040 918230352 /nfs/dbraw/zinc/23/03/52/918230352.db2.gz PZURDKXJIAEBCW-VXGBXAGGSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001485921029 918232580 /nfs/dbraw/zinc/23/25/80/918232580.db2.gz XUCFVHDMXLAJNE-MNOVXSKESA-N 1 3 284.404 -0.362 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001485947071 918238455 /nfs/dbraw/zinc/23/84/55/918238455.db2.gz LRTZCDMBLQQEKR-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC ZINC001486002013 918296017 /nfs/dbraw/zinc/29/60/17/918296017.db2.gz LMJGQRNOHFBCFI-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203613 918380723 /nfs/dbraw/zinc/38/07/23/918380723.db2.gz ZVYKPWOEWSIDGA-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001486220094 918385738 /nfs/dbraw/zinc/38/57/38/918385738.db2.gz XNQVLNPJGSACRK-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271766 918882866 /nfs/dbraw/zinc/88/28/66/918882866.db2.gz OGKVYXBVQLNHAO-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO NC(=O)CN[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663996 918956156 /nfs/dbraw/zinc/95/61/56/918956156.db2.gz BVXYPHIUFHUOQO-OLZOCXBDSA-N 1 3 294.399 -0.702 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490841480 918976357 /nfs/dbraw/zinc/97/63/57/918976357.db2.gz NOONMRGJOBOFRY-FRRDWIJNSA-N 1 3 298.431 -0.102 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC001491029572 919011409 /nfs/dbraw/zinc/01/14/09/919011409.db2.gz DYVYKCBBMHGOIK-NNYUYHANSA-N 1 3 257.378 -0.056 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001491502888 919185138 /nfs/dbraw/zinc/18/51/38/919185138.db2.gz CDJHTKOSOSIVEL-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001491502888 919185148 /nfs/dbraw/zinc/18/51/48/919185148.db2.gz CDJHTKOSOSIVEL-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)[C@H]1CCCN1C ZINC001491502454 919185733 /nfs/dbraw/zinc/18/57/33/919185733.db2.gz VUJCDVNWTPWYBJ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)[C@H]1CCCN1C ZINC001491502454 919185739 /nfs/dbraw/zinc/18/57/39/919185739.db2.gz VUJCDVNWTPWYBJ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001491565773 919206725 /nfs/dbraw/zinc/20/67/25/919206725.db2.gz QBMSCJVUZOJGIA-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001491569873 919210294 /nfs/dbraw/zinc/21/02/94/919210294.db2.gz VITLTEICDVDINR-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001491569872 919211615 /nfs/dbraw/zinc/21/16/15/919211615.db2.gz VITLTEICDVDINR-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001491674242 919250245 /nfs/dbraw/zinc/25/02/45/919250245.db2.gz SXJCKFGGEMWUNS-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001491674242 919250256 /nfs/dbraw/zinc/25/02/56/919250256.db2.gz SXJCKFGGEMWUNS-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491672256 919251481 /nfs/dbraw/zinc/25/14/81/919251481.db2.gz GBMWBZPRAPKVQT-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491672256 919251492 /nfs/dbraw/zinc/25/14/92/919251492.db2.gz GBMWBZPRAPKVQT-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCCO)C1 ZINC001492420995 919415096 /nfs/dbraw/zinc/41/50/96/919415096.db2.gz FUCWXBIKXRXSNF-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCCO)C1 ZINC001492420995 919415106 /nfs/dbraw/zinc/41/51/06/919415106.db2.gz FUCWXBIKXRXSNF-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001493267539 919512204 /nfs/dbraw/zinc/51/22/04/919512204.db2.gz RGFCQUKPHCEBTO-GFCCVEGCSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001493267539 919512210 /nfs/dbraw/zinc/51/22/10/919512210.db2.gz RGFCQUKPHCEBTO-GFCCVEGCSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](O)C[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001493575081 919583222 /nfs/dbraw/zinc/58/32/22/919583222.db2.gz RZAVBOYGKWDOSH-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCNC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493761444 919617479 /nfs/dbraw/zinc/61/74/79/919617479.db2.gz KHPGWVPSONXJQU-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCNC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493761444 919617489 /nfs/dbraw/zinc/61/74/89/919617489.db2.gz KHPGWVPSONXJQU-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC ZINC001495049454 919852322 /nfs/dbraw/zinc/85/23/22/919852322.db2.gz JEMAMHXIKAFXOX-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001495577669 919906485 /nfs/dbraw/zinc/90/64/85/919906485.db2.gz JLTKOYGKSOOYRQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001495577669 919906498 /nfs/dbraw/zinc/90/64/98/919906498.db2.gz JLTKOYGKSOOYRQ-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCNC1=O ZINC001495682550 919928495 /nfs/dbraw/zinc/92/84/95/919928495.db2.gz FKEFLWBPMMYACQ-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495816255 919953388 /nfs/dbraw/zinc/95/33/88/919953388.db2.gz SDXCBHHAYCKMCD-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496055424 920021045 /nfs/dbraw/zinc/02/10/45/920021045.db2.gz LRGQXZGJZNCQDF-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496055424 920021050 /nfs/dbraw/zinc/02/10/50/920021050.db2.gz LRGQXZGJZNCQDF-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146182 920034119 /nfs/dbraw/zinc/03/41/19/920034119.db2.gz XUTQBYZRTYBZGM-MNOVXSKESA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150284 920034640 /nfs/dbraw/zinc/03/46/40/920034640.db2.gz PPNJFLZMSNLSAK-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001496210084 920041410 /nfs/dbraw/zinc/04/14/10/920041410.db2.gz OROURGADKRJIKO-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001496210085 920041837 /nfs/dbraw/zinc/04/18/37/920041837.db2.gz OROURGADKRJIKO-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001496560852 920086157 /nfs/dbraw/zinc/08/61/57/920086157.db2.gz HGYDYPLDJKTQNV-OLZOCXBDSA-N 1 3 296.415 -0.456 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001496560854 920087503 /nfs/dbraw/zinc/08/75/03/920087503.db2.gz HGYDYPLDJKTQNV-STQMWFEESA-N 1 3 296.415 -0.456 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1cncc(F)c1 ZINC001497046299 920227609 /nfs/dbraw/zinc/22/76/09/920227609.db2.gz IMCZNNBMAJGVQN-CYBMUJFWSA-N 1 3 298.362 -0.261 20 0 CBADHO C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001497207544 920271364 /nfs/dbraw/zinc/27/13/64/920271364.db2.gz YUTYXZZLGIEFBT-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1CCCN1C ZINC001497363047 920292484 /nfs/dbraw/zinc/29/24/84/920292484.db2.gz YEGDGKMSKMLYIT-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H]([NH2+]CCN(CC)C(=O)CN1CCCC1)C(N)=O ZINC001497496251 920309272 /nfs/dbraw/zinc/30/92/72/920309272.db2.gz USGLFOAXDAKEOH-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001497486636 920309531 /nfs/dbraw/zinc/30/95/31/920309531.db2.gz OZARJAUMVOAYNV-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495400 920311816 /nfs/dbraw/zinc/31/18/16/920311816.db2.gz GTQKMGUFWNJHOB-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495400 920311834 /nfs/dbraw/zinc/31/18/34/920311834.db2.gz GTQKMGUFWNJHOB-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495399 920313567 /nfs/dbraw/zinc/31/35/67/920313567.db2.gz GTQKMGUFWNJHOB-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495399 920313584 /nfs/dbraw/zinc/31/35/84/920313584.db2.gz GTQKMGUFWNJHOB-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCNC(=O)CNCCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484194 920313635 /nfs/dbraw/zinc/31/36/35/920313635.db2.gz JCGBZNAWZIIQBD-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCNC(=O)CNCCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497484194 920313652 /nfs/dbraw/zinc/31/36/52/920313652.db2.gz JCGBZNAWZIIQBD-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001497836470 920406658 /nfs/dbraw/zinc/40/66/58/920406658.db2.gz YGDMAIDXUCTYJL-GMTAPVOTSA-N 1 3 272.393 -0.445 20 0 CBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497900586 920422263 /nfs/dbraw/zinc/42/22/63/920422263.db2.gz USQWILFGRCYNMS-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001497984292 920432900 /nfs/dbraw/zinc/43/29/00/920432900.db2.gz YGVGQSVSTRLCNZ-MWLCHTKSSA-N 1 3 280.376 -0.341 20 0 CBADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001497984292 920432906 /nfs/dbraw/zinc/43/29/06/920432906.db2.gz YGVGQSVSTRLCNZ-MWLCHTKSSA-N 1 3 280.376 -0.341 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001498153857 920503230 /nfs/dbraw/zinc/50/32/30/920503230.db2.gz TUDYRLOTCQQDSW-QWRGUYRKSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001498153857 920503243 /nfs/dbraw/zinc/50/32/43/920503243.db2.gz TUDYRLOTCQQDSW-QWRGUYRKSA-N 1 3 298.387 -0.772 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001498197677 920516130 /nfs/dbraw/zinc/51/61/30/920516130.db2.gz UPBQSTJLWSJQKV-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001498197891 920517055 /nfs/dbraw/zinc/51/70/55/920517055.db2.gz ZHPQKMWBZVOECF-NSHDSACASA-N 1 3 284.404 -0.301 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498329058 920553921 /nfs/dbraw/zinc/55/39/21/920553921.db2.gz LOQNDIBFBXMNEJ-UHFFFAOYSA-N 1 3 293.371 -0.461 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001498568824 920610072 /nfs/dbraw/zinc/61/00/72/920610072.db2.gz ZYMWRBQGQRRMTF-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817019 920642385 /nfs/dbraw/zinc/64/23/85/920642385.db2.gz JMXCQVQCNVTKNE-GXFFZTMASA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001498878255 920653245 /nfs/dbraw/zinc/65/32/45/920653245.db2.gz ZQMSOZXZRSIFJL-LBPRGKRZSA-N 1 3 257.378 -0.197 20 0 CBADHO CC[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448931 920749030 /nfs/dbraw/zinc/74/90/30/920749030.db2.gz XMAZICCKNPBRJD-MNOVXSKESA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448931 920749038 /nfs/dbraw/zinc/74/90/38/920749038.db2.gz XMAZICCKNPBRJD-MNOVXSKESA-N 1 3 282.388 -0.560 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499901659 920782047 /nfs/dbraw/zinc/78/20/47/920782047.db2.gz QLRRRMHMMHMWOW-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499901659 920782061 /nfs/dbraw/zinc/78/20/61/920782061.db2.gz QLRRRMHMMHMWOW-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH+]1CCC(CC(=O)NC[C@]2(O)CCN(CCO)C2)CC1 ZINC001500735863 920875433 /nfs/dbraw/zinc/87/54/33/920875433.db2.gz ILLOPQXTDKWCHN-OAHLLOKOSA-N 1 3 299.415 -0.736 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001500767276 920880667 /nfs/dbraw/zinc/88/06/67/920880667.db2.gz YKPAZYWPOQOHIB-AWEZNQCLSA-N 1 3 287.404 -0.738 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001500767276 920880676 /nfs/dbraw/zinc/88/06/76/920880676.db2.gz YKPAZYWPOQOHIB-AWEZNQCLSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507419631 921823974 /nfs/dbraw/zinc/82/39/74/921823974.db2.gz WBANAHAGETUBRL-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507419629 921824320 /nfs/dbraw/zinc/82/43/20/921824320.db2.gz WBANAHAGETUBRL-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001507419632 921825492 /nfs/dbraw/zinc/82/54/92/921825492.db2.gz WBANAHAGETUBRL-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507726802 921895589 /nfs/dbraw/zinc/89/55/89/921895589.db2.gz NBVLFVUJPUEJTN-QWHCGFSZSA-N 1 3 287.404 -0.664 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507726802 921895600 /nfs/dbraw/zinc/89/56/00/921895600.db2.gz NBVLFVUJPUEJTN-QWHCGFSZSA-N 1 3 287.404 -0.664 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001515318450 922233152 /nfs/dbraw/zinc/23/31/52/922233152.db2.gz LSZNZNBAMPLOTM-TUAOUCFPSA-N 1 3 255.362 -0.219 20 0 CBADHO CCCN(C(=O)[C@@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001521408964 922354487 /nfs/dbraw/zinc/35/44/87/922354487.db2.gz PNARFPVAEVKXLD-ZDUSSCGKSA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)CNCC[NH3+])C[C@H](C)O1 ZINC001521445649 922355681 /nfs/dbraw/zinc/35/56/81/922355681.db2.gz IBRNLFYOZIRKFZ-BETUJISGSA-N 1 3 286.420 -0.460 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001521502727 922361915 /nfs/dbraw/zinc/36/19/15/922361915.db2.gz ATIAGXYBKSXYBQ-VXGBXAGGSA-N 1 3 254.378 -0.665 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001521495826 922362228 /nfs/dbraw/zinc/36/22/28/922362228.db2.gz LYRBJVJZPKVQKK-CHWSQXEVSA-N 1 3 268.405 -0.310 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001521495826 922362241 /nfs/dbraw/zinc/36/22/41/922362241.db2.gz LYRBJVJZPKVQKK-CHWSQXEVSA-N 1 3 268.405 -0.310 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001521495827 922363379 /nfs/dbraw/zinc/36/33/79/922363379.db2.gz LYRBJVJZPKVQKK-OLZOCXBDSA-N 1 3 268.405 -0.310 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001521495827 922363393 /nfs/dbraw/zinc/36/33/93/922363393.db2.gz LYRBJVJZPKVQKK-OLZOCXBDSA-N 1 3 268.405 -0.310 20 0 CBADHO C[NH2+]CCN(C)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001521513332 922364385 /nfs/dbraw/zinc/36/43/85/922364385.db2.gz TYNYNXYKYJPFLD-SECBINFHSA-N 1 3 251.334 -0.032 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001521513421 922365487 /nfs/dbraw/zinc/36/54/87/922365487.db2.gz VKGMCJIJHGEPON-YPMHNXCESA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](C)CN1 ZINC001521513926 922366674 /nfs/dbraw/zinc/36/66/74/922366674.db2.gz ZSMJPMDCAYCQRP-NTZNESFSSA-N 1 3 255.362 -0.300 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)C(C)(C)O ZINC001521872495 922388020 /nfs/dbraw/zinc/38/80/20/922388020.db2.gz RDQBVXWALWYCNK-LLVKDONJSA-N 1 3 257.378 -0.115 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001521974197 922393397 /nfs/dbraw/zinc/39/33/97/922393397.db2.gz NJURCUDKSVLKHW-WDEREUQCSA-N 1 3 265.357 -0.377 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001521971087 922393458 /nfs/dbraw/zinc/39/34/58/922393458.db2.gz CQALIUJOZPFINV-KXUCPTDWSA-N 1 3 257.309 -0.819 20 0 CBADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC1 ZINC001521974050 922394553 /nfs/dbraw/zinc/39/45/53/922394553.db2.gz MUOGAQWZWAXZSC-DCAQKATOSA-N 1 3 253.346 -0.249 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001521974188 922394735 /nfs/dbraw/zinc/39/47/35/922394735.db2.gz NJURCUDKSVLKHW-GHMZBOCLSA-N 1 3 265.357 -0.377 20 0 CBADHO C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001522470788 922419039 /nfs/dbraw/zinc/41/90/39/922419039.db2.gz IVGGNNHJTYPXAS-UHFFFAOYSA-N 1 3 293.371 -0.425 20 0 CBADHO CCO[C@H](CNC(=O)[C@@H](N)C(C)(C)O)C[NH+](C)C ZINC001522889162 922545219 /nfs/dbraw/zinc/54/52/19/922545219.db2.gz BASMAOAHRUHQMD-NXEZZACHSA-N 1 3 261.366 -0.833 20 0 CBADHO C[C@H](NC(=O)[C@H]1CNCCN1C)C(C)(C)C[NH+](C)C ZINC001548553217 923375084 /nfs/dbraw/zinc/37/50/84/923375084.db2.gz QBBGUGJJOWLWSK-NWDGAFQWSA-N 1 3 270.421 -0.018 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001548554731 923378686 /nfs/dbraw/zinc/37/86/86/923378686.db2.gz JQISHXGXWYGWKV-NWDGAFQWSA-N 1 3 252.362 -0.757 20 0 CBADHO CN1CCNC[C@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001548554610 923380888 /nfs/dbraw/zinc/38/08/88/923380888.db2.gz CMCWEWLWFVMCPQ-ZDUSSCGKSA-N 1 3 278.356 -0.134 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575362 923399952 /nfs/dbraw/zinc/39/99/52/923399952.db2.gz AMUMJCAUEYFZFM-SNVBAGLBSA-N 1 3 255.362 -0.179 20 0 CBADHO O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC001548573904 923401028 /nfs/dbraw/zinc/40/10/28/923401028.db2.gz QVBMAEJDJAOONU-UHFFFAOYSA-N 1 3 294.355 -0.914 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548580126 923403976 /nfs/dbraw/zinc/40/39/76/923403976.db2.gz WARXXWMDBCKSDS-JTQLQIEISA-N 1 3 271.361 -0.670 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)C1 ZINC001548750072 923494848 /nfs/dbraw/zinc/49/48/48/923494848.db2.gz MJBNSMAQOHNSDD-TZMCWYRMSA-N 1 3 269.389 -0.147 20 0 CBADHO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCNCC1 ZINC001549043475 923527204 /nfs/dbraw/zinc/52/72/04/923527204.db2.gz KBOOSDPFQJJBFL-UONOGXRCSA-N 1 3 280.416 -0.118 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C(N)C(F)(F)F)C[C@@H]2[NH3+])cn1 ZINC001549034810 923527505 /nfs/dbraw/zinc/52/75/05/923527505.db2.gz RNZKEABENHNPAU-CIUDSAMLSA-N 1 3 291.277 -0.437 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)C3([NH3+])CCC3)C2)nn1 ZINC001549047327 923542735 /nfs/dbraw/zinc/54/27/35/923542735.db2.gz PMGUCBBCVXLREX-NSHDSACASA-N 1 3 278.360 -0.218 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047266 923543133 /nfs/dbraw/zinc/54/31/33/923543133.db2.gz MYSIAAOLKGTHRT-GXSJLCMTSA-N 1 3 266.349 -0.362 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)nn1 ZINC001549046907 923543804 /nfs/dbraw/zinc/54/38/04/923543804.db2.gz CRPFOMAPVAFDMN-JHEVNIALSA-N 1 3 290.371 -0.349 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001549047306 923544163 /nfs/dbraw/zinc/54/41/63/923544163.db2.gz ODOCOQWFEKSDGD-RYUDHWBXSA-N 1 3 278.360 -0.348 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549047816 923546727 /nfs/dbraw/zinc/54/67/27/923546727.db2.gz ZQUQVZPRVCAXJJ-NHCYSSNCSA-N 1 3 280.376 -0.116 20 0 CBADHO N[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[C@@H]1F ZINC001549211086 923570148 /nfs/dbraw/zinc/57/01/48/923570148.db2.gz TVPRCXUKJDNPNE-GARJFASQSA-N 1 3 274.340 -0.554 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549292985 923580079 /nfs/dbraw/zinc/58/00/79/923580079.db2.gz GRPUOTHOKRIWJA-NEPJUHHUSA-N 1 3 280.376 -0.102 20 0 CBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@H]1C[NH2+]CCCO1 ZINC001549291630 923581641 /nfs/dbraw/zinc/58/16/41/923581641.db2.gz HBKRHCVBUYKINV-TUAOUCFPSA-N 1 3 273.352 -0.181 20 0 CBADHO C[C@H](N)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729054 923633106 /nfs/dbraw/zinc/63/31/06/923633106.db2.gz XXLCKHISFPJGPM-PTOFAABTSA-N 1 3 268.361 -0.903 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084556 923670586 /nfs/dbraw/zinc/67/05/86/923670586.db2.gz FAVGPDDJIUAYHQ-YPMHNXCESA-N 1 3 296.415 -0.408 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097262 923682284 /nfs/dbraw/zinc/68/22/84/923682284.db2.gz HZORMGIRLNSYKM-GHMZBOCLSA-N 1 3 264.333 -0.738 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001550097463 923682260 /nfs/dbraw/zinc/68/22/60/923682260.db2.gz NAYXEKYKSVJTKX-JQWIXIFHSA-N 1 3 282.323 -0.788 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104754 923684147 /nfs/dbraw/zinc/68/41/47/923684147.db2.gz AFDYTSXBLDAKIY-GPWHNMLOSA-N 1 3 296.415 -0.267 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550122404 923694443 /nfs/dbraw/zinc/69/44/43/923694443.db2.gz GDUALWWLFOFSFZ-QVHKTLOISA-N 1 3 279.384 -0.083 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001550121844 923694523 /nfs/dbraw/zinc/69/45/23/923694523.db2.gz BDWAESAISJMJGY-RWMBFGLXSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122417 923695999 /nfs/dbraw/zinc/69/59/99/923695999.db2.gz GHHINTHBZNZVKA-QWHCGFSZSA-N 1 3 292.387 -0.064 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550183296 923703048 /nfs/dbraw/zinc/70/30/48/923703048.db2.gz MNQXECMNPWKKNL-XQQFMLRXSA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550188776 923706481 /nfs/dbraw/zinc/70/64/81/923706481.db2.gz NUJZHTCMFQJEQK-OLZOCXBDSA-N 1 3 285.388 -0.423 20 0 CBADHO N[C@H](CC1CC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550190376 923710037 /nfs/dbraw/zinc/71/00/37/923710037.db2.gz UPQMRKDGQUMFGD-VXGBXAGGSA-N 1 3 278.360 -0.444 20 0 CBADHO C[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550197567 923710070 /nfs/dbraw/zinc/71/00/70/923710070.db2.gz KHUIACYGNKBYEP-LLVKDONJSA-N 1 3 282.388 -0.334 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550195738 923710899 /nfs/dbraw/zinc/71/08/99/923710899.db2.gz VNNGKLGNIHJJBI-CHWSQXEVSA-N 1 3 263.341 -0.209 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550232596 923713680 /nfs/dbraw/zinc/71/36/80/923713680.db2.gz GLYCKNWYXOASHI-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]21 ZINC001550744574 923743764 /nfs/dbraw/zinc/74/37/64/923743764.db2.gz PHRUCBJVRAJDBB-DPWYMPPLSA-N 1 3 294.399 -0.555 20 0 CBADHO CN1[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@@H]2C[C@H]1CO ZINC001550744587 923744685 /nfs/dbraw/zinc/74/46/85/923744685.db2.gz PHRUCBJVRAJDBB-XWRJPITESA-N 1 3 294.399 -0.555 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCNC[C@@H](O)C1 ZINC001550742845 923745048 /nfs/dbraw/zinc/74/50/48/923745048.db2.gz FGODZKXRDGTFDU-MNOVXSKESA-N 1 3 268.361 -0.753 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913290 923756289 /nfs/dbraw/zinc/75/62/89/923756289.db2.gz OOOXHNQIRSQGEE-IUODEOHRSA-N 1 3 296.415 -0.253 20 0 CBADHO CN1[C@H]2CN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]2C[C@H]1CO ZINC001551586287 923804242 /nfs/dbraw/zinc/80/42/42/923804242.db2.gz MPLVUXAXVFEYGO-YCBCTKGMSA-N 1 3 294.399 -0.427 20 0 CBADHO [NH3+][C@H]1CC12CCC(NC(=O)NC[C@@H]1CNCCO1)CC2 ZINC001551573252 923804411 /nfs/dbraw/zinc/80/44/11/923804411.db2.gz WGHDIMHGDAQWDC-ATJQQHLPSA-N 1 3 282.388 -0.066 20 0 CBADHO [NH3+][C@H]1CC12CCC(NC(=O)NC[C@H]1CNCCO1)CC2 ZINC001551573255 923804506 /nfs/dbraw/zinc/80/45/06/923804506.db2.gz WGHDIMHGDAQWDC-BEVNXUHPSA-N 1 3 282.388 -0.066 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CCO1 ZINC001551595548 923808316 /nfs/dbraw/zinc/80/83/16/923808316.db2.gz ULOMKGXNUBGJQQ-CBKZZEEASA-N 1 3 282.388 -0.162 20 0 CBADHO CN1CCC(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552166175 923843956 /nfs/dbraw/zinc/84/39/56/923843956.db2.gz APKXXOGIUJQEMO-NSHDSACASA-N 1 3 278.360 -0.364 20 0 CBADHO CCN1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200623 923856815 /nfs/dbraw/zinc/85/68/15/923856815.db2.gz SEEYNLASFBPZOA-MBNYWOFBSA-N 1 3 267.373 -0.177 20 0 CBADHO COC1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552201126 923859275 /nfs/dbraw/zinc/85/92/75/923859275.db2.gz RQLLDVWHFHYYRB-SWLSCSKDSA-N 1 3 297.399 -0.551 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377202 923893935 /nfs/dbraw/zinc/89/39/35/923893935.db2.gz ZBPKVWIATWNPAT-SDDRHHMPSA-N 1 3 280.372 -0.854 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552840684 923919697 /nfs/dbraw/zinc/91/96/97/923919697.db2.gz AESCTCUROAMYQO-DMDPSCGWSA-N 1 3 253.346 -0.377 20 0 CBADHO CN1CCn2ncc(CN[C@@H]3C[NH2+]CCOC3)c2C1 ZINC001553026357 923935139 /nfs/dbraw/zinc/93/51/39/923935139.db2.gz YXZQQRQEGDBMIP-GFCCVEGCSA-N 1 3 265.361 -0.594 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304958 923948166 /nfs/dbraw/zinc/94/81/66/923948166.db2.gz QHHBLJPCFDTVBN-YNEHKIRRSA-N 1 3 266.389 -0.380 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCN1 ZINC001553405804 923977360 /nfs/dbraw/zinc/97/73/60/923977360.db2.gz DRAOVYSLRXXMFS-CYDGBPFRSA-N 1 3 267.373 -0.038 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCN1 ZINC001553405805 923978385 /nfs/dbraw/zinc/97/83/85/923978385.db2.gz DRAOVYSLRXXMFS-MROQNXINSA-N 1 3 267.373 -0.038 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC001553494646 924011182 /nfs/dbraw/zinc/01/11/82/924011182.db2.gz CINZDDWPDGQSQR-IHRRRGAJSA-N 1 3 296.415 -0.036 20 0 CBADHO [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@H]1CNCCO1)C2 ZINC001553499983 924014544 /nfs/dbraw/zinc/01/45/44/924014544.db2.gz AFDWUYIWLYCLGU-UMNHJUIQSA-N 1 3 254.334 -0.893 20 0 CBADHO C[C@H]([NH3+])CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553502677 924016387 /nfs/dbraw/zinc/01/63/87/924016387.db2.gz KSXHCGAKJLMWJG-QJPTWQEYSA-N 1 3 270.377 -0.426 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553502032 924017610 /nfs/dbraw/zinc/01/76/10/924017610.db2.gz JJEBIGFWYKANAL-RWMBFGLXSA-N 1 3 282.388 -0.242 20 0 CBADHO C[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553502679 924017826 /nfs/dbraw/zinc/01/78/26/924017826.db2.gz KSXHCGAKJLMWJG-SDDRHHMPSA-N 1 3 270.377 -0.426 20 0 CBADHO [NH3+]C1CC(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553513009 924019353 /nfs/dbraw/zinc/01/93/53/924019353.db2.gz KTQXBTRUCFIQBM-PQAZSJQKSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553516117 924019717 /nfs/dbraw/zinc/01/97/17/924019717.db2.gz ZAGJWHMBOCDDBW-AVGNSLFASA-N 1 3 284.404 -0.036 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000376650091 230257590 /nfs/dbraw/zinc/25/75/90/230257590.db2.gz BTHMZXBSOPMGRE-QJPTWQEYSA-N 1 3 255.362 -0.443 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419419099 290645143 /nfs/dbraw/zinc/64/51/43/290645143.db2.gz YWGPVUKGLGUZLE-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354722124 282183373 /nfs/dbraw/zinc/18/33/73/282183373.db2.gz WTCBQUAZMPTNHY-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419413158 290649658 /nfs/dbraw/zinc/64/96/58/290649658.db2.gz CZUIEBXYMLQNAO-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+](C)C ZINC000126074681 187215481 /nfs/dbraw/zinc/21/54/81/187215481.db2.gz CWIDJGQDANRELZ-NSHDSACASA-N 1 3 258.366 -0.846 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351498364 219106274 /nfs/dbraw/zinc/10/62/74/219106274.db2.gz VPDXEWUFPDXSGL-AXFHLTTASA-N 1 3 261.391 -0.405 20 0 CBADHO CN(C[C@H](O)C[N@H+](C)C1CCN(CCO)CC1)C1CC1 ZINC000351494274 219106352 /nfs/dbraw/zinc/10/63/52/219106352.db2.gz XVZIPEUWPWWTOJ-HNNXBMFYSA-N 1 3 285.432 -0.170 20 0 CBADHO CN(C[C@H](O)C[N@@H+](C)C1CCN(CCO)CC1)C1CC1 ZINC000351494274 219106354 /nfs/dbraw/zinc/10/63/54/219106354.db2.gz XVZIPEUWPWWTOJ-HNNXBMFYSA-N 1 3 285.432 -0.170 20 0 CBADHO CC(C)C[C@H](CN(C)C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516668 219113289 /nfs/dbraw/zinc/11/32/89/219113289.db2.gz HEECTOOWBOEZDJ-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CCCCC1 ZINC000351537560 219119173 /nfs/dbraw/zinc/11/91/73/219119173.db2.gz PVXFOXMHESCNJV-LBPRGKRZSA-N 1 3 282.388 -0.543 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000351544729 219121483 /nfs/dbraw/zinc/12/14/83/219121483.db2.gz VMBVGJMLVCKBML-CYBMUJFWSA-N 1 3 294.399 -0.402 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419431648 290709426 /nfs/dbraw/zinc/70/94/26/290709426.db2.gz XMQCQOMMTOWXHV-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000351556395 219125296 /nfs/dbraw/zinc/12/52/96/219125296.db2.gz NZOLKQFZOQUPAO-MDZLAQPJSA-N 1 3 294.399 -0.404 20 0 CBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CSCN3)C2)CC1 ZINC000377199297 530049819 /nfs/dbraw/zinc/04/98/19/530049819.db2.gz UGPVRJKFRCTOGM-AAEUAGOBSA-N 1 3 298.456 -0.066 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000351653450 219164190 /nfs/dbraw/zinc/16/41/90/219164190.db2.gz VRQHNKKYLXQYPB-YNEHKIRRSA-N 1 3 269.389 -0.054 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000351653450 219164191 /nfs/dbraw/zinc/16/41/91/219164191.db2.gz VRQHNKKYLXQYPB-YNEHKIRRSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H](C(=O)NC(N)=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040877 295767057 /nfs/dbraw/zinc/76/70/57/295767057.db2.gz YXXXBUIALRTXOB-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000339637629 215282637 /nfs/dbraw/zinc/28/26/37/215282637.db2.gz FSMAOOMASHTHOV-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091549060 180188466 /nfs/dbraw/zinc/18/84/66/180188466.db2.gz VUWQCCQOASCCPT-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339750688 215325756 /nfs/dbraw/zinc/32/57/56/215325756.db2.gz OZNLNEQHMPZBQW-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000573842902 334971005 /nfs/dbraw/zinc/97/10/05/334971005.db2.gz CFKJCBLCXFUZPI-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000129980212 187464834 /nfs/dbraw/zinc/46/48/34/187464834.db2.gz BFVWIMLNGNXDCY-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000040808757 351419660 /nfs/dbraw/zinc/41/96/60/351419660.db2.gz NOASZYJDEWDFEF-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO C[C@@H](CCN(C)C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000049553633 351494738 /nfs/dbraw/zinc/49/47/38/351494738.db2.gz AJNWTZUAICQHIB-JTQLQIEISA-N 1 3 268.361 -0.486 20 0 CBADHO NC(=O)[C@H]1CCCN1CCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000077282614 351681401 /nfs/dbraw/zinc/68/14/01/351681401.db2.gz LWJMJEFAUBDGCY-VXGBXAGGSA-N 1 3 282.388 -0.334 20 0 CBADHO NC(=O)[C@H]1CCCN1CCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000077282614 351681403 /nfs/dbraw/zinc/68/14/03/351681403.db2.gz LWJMJEFAUBDGCY-VXGBXAGGSA-N 1 3 282.388 -0.334 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C[C@@H]1CCC[N@@H+]1C ZINC000092629177 351752053 /nfs/dbraw/zinc/75/20/53/351752053.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C[C@@H]1CCC[N@H+]1C ZINC000092629177 351752055 /nfs/dbraw/zinc/75/20/55/351752055.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCC[C@H]1C[N@H+](C)CCC(=O)N1CCNCC1 ZINC000092629177 351752057 /nfs/dbraw/zinc/75/20/57/351752057.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCC[C@H]1C[N@@H+](C)CCC(=O)N1CCNCC1 ZINC000092629177 351752060 /nfs/dbraw/zinc/75/20/60/351752060.db2.gz UZUFTLGYTCITMO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000091311831 351743763 /nfs/dbraw/zinc/74/37/63/351743763.db2.gz HQQVVIXIJQRQFM-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO CCCN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126288583 351859742 /nfs/dbraw/zinc/85/97/42/351859742.db2.gz CUIWVLABBBOGRN-ZDUSSCGKSA-N 1 3 286.420 -0.114 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000137301690 351922002 /nfs/dbraw/zinc/92/20/02/351922002.db2.gz FLNQJLSQPNKNFB-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO NC1(C(=O)NCCN2CC[NH2+]CC2)CCCCC1 ZINC000131666601 351887182 /nfs/dbraw/zinc/88/71/82/351887182.db2.gz SIZQNOWRWXWFSD-UHFFFAOYSA-N 1 3 254.378 -0.331 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158920136 351960058 /nfs/dbraw/zinc/96/00/58/351960058.db2.gz ZJTVMXBSPSLQSI-TZMCWYRMSA-N 1 3 267.373 -0.033 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000165852561 351986854 /nfs/dbraw/zinc/98/68/54/351986854.db2.gz ZTPDIJODCCPRIH-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN(C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000166821515 351987240 /nfs/dbraw/zinc/98/72/40/351987240.db2.gz JZGOXCMLPVQNQK-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCNCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186496181 352128279 /nfs/dbraw/zinc/12/82/79/352128279.db2.gz DMOJZUIOQFROEW-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000178659821 352080644 /nfs/dbraw/zinc/08/06/44/352080644.db2.gz DRELXOSFDMPCSO-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO COCCCN(C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000178811409 352083574 /nfs/dbraw/zinc/08/35/74/352083574.db2.gz KMOBDOQLYXTRGA-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000178994261 352087120 /nfs/dbraw/zinc/08/71/20/352087120.db2.gz SHEFWNOLZOTCOX-OLZOCXBDSA-N 1 3 296.415 -0.536 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187945297 352144442 /nfs/dbraw/zinc/14/44/42/352144442.db2.gz ZQGCLEHTDUCWPB-FRRDWIJNSA-N 1 3 285.388 -0.410 20 0 CBADHO COCCCN(C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187966038 352145364 /nfs/dbraw/zinc/14/53/64/352145364.db2.gz XCKWUJPCJHQDHL-NWDGAFQWSA-N 1 3 273.377 -0.552 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000187952628 352145405 /nfs/dbraw/zinc/14/54/05/352145405.db2.gz NVOKQKRAOFGFRC-SDDRHHMPSA-N 1 3 253.346 -0.330 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000219035201 352236694 /nfs/dbraw/zinc/23/66/94/352236694.db2.gz HDWDKXYBRLZPKL-JQWIXIFHSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000219035201 352236696 /nfs/dbraw/zinc/23/66/96/352236696.db2.gz HDWDKXYBRLZPKL-JQWIXIFHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000193310245 352204647 /nfs/dbraw/zinc/20/46/47/352204647.db2.gz HVEWZBZQLQBMAB-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227245 352223768 /nfs/dbraw/zinc/22/37/68/352223768.db2.gz TZZMTHBIBJAOIT-OUAUKWLOSA-N 1 3 255.387 -0.241 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[NH3+] ZINC000228908368 352266306 /nfs/dbraw/zinc/26/63/06/352266306.db2.gz NUISBJLCRBCTAP-OPQQBVKSSA-N 1 3 255.362 -0.016 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C[C@@H]1CNCCO1 ZINC000234261997 352281565 /nfs/dbraw/zinc/28/15/65/352281565.db2.gz VMLDRNUMLVXATI-LLVKDONJSA-N 1 3 259.350 -0.941 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236844823 352294828 /nfs/dbraw/zinc/29/48/28/352294828.db2.gz QLKKLDLBMTZGBD-ZDUSSCGKSA-N 1 3 270.421 -0.014 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236845591 352295371 /nfs/dbraw/zinc/29/53/71/352295371.db2.gz NPCUFSDXIUPLCW-QWHCGFSZSA-N 1 3 270.421 -0.016 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000236838950 352295467 /nfs/dbraw/zinc/29/54/67/352295467.db2.gz CDFIQTVRSHRAKG-UHFFFAOYSA-N 1 3 282.388 -0.510 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236888448 352295776 /nfs/dbraw/zinc/29/57/76/352295776.db2.gz SGFZJSXQRVRXEW-STQMWFEESA-N 1 3 268.405 -0.119 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236891344 352296348 /nfs/dbraw/zinc/29/63/48/352296348.db2.gz SGFZJSXQRVRXEW-OLZOCXBDSA-N 1 3 268.405 -0.119 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237027036 352297926 /nfs/dbraw/zinc/29/79/26/352297926.db2.gz USEONNPRWQVPBT-RYUDHWBXSA-N 1 3 256.394 -0.229 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CNC[C@H]1CCCO1 ZINC000237087121 352298420 /nfs/dbraw/zinc/29/84/20/352298420.db2.gz NTVGCZTXUQKSRJ-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH+](C)C1(CNC(=O)CNC2CC2)CCOCC1 ZINC000237080827 352298462 /nfs/dbraw/zinc/29/84/62/352298462.db2.gz DCCYGUDZZOTTED-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000237105022 352299344 /nfs/dbraw/zinc/29/93/44/352299344.db2.gz WIXWSRSRXBUCTD-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CNCCO2)CC1 ZINC000237156432 352300776 /nfs/dbraw/zinc/30/07/76/352300776.db2.gz GAVLDRLYGRTZGA-AWEZNQCLSA-N 1 3 298.431 -0.635 20 0 CBADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CNCCO2)CC1 ZINC000237156432 352300777 /nfs/dbraw/zinc/30/07/77/352300777.db2.gz GAVLDRLYGRTZGA-AWEZNQCLSA-N 1 3 298.431 -0.635 20 0 CBADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237196406 352301413 /nfs/dbraw/zinc/30/14/13/352301413.db2.gz XVNSRKWZIMMUCS-ZNMIVQPWSA-N 1 3 291.395 -0.002 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237482646 352306427 /nfs/dbraw/zinc/30/64/27/352306427.db2.gz ALVKKSJVEJIYPR-UPJWGTAASA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000237545941 352307508 /nfs/dbraw/zinc/30/75/08/352307508.db2.gz WDOBPCKZXKCPKC-MNOVXSKESA-N 1 3 270.377 -0.893 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000237595882 352308160 /nfs/dbraw/zinc/30/81/60/352308160.db2.gz OSUSZTKHKGJZNH-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO CC[N@@H+]1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248854403 352355931 /nfs/dbraw/zinc/35/59/31/352355931.db2.gz CKWFJERZPZGNTK-QWRGUYRKSA-N 1 3 268.361 -0.142 20 0 CBADHO CC[N@H+]1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248854403 352355933 /nfs/dbraw/zinc/35/59/33/352355933.db2.gz CKWFJERZPZGNTK-QWRGUYRKSA-N 1 3 268.361 -0.142 20 0 CBADHO CC[N@@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248854407 352356136 /nfs/dbraw/zinc/35/61/36/352356136.db2.gz CKWFJERZPZGNTK-WDEREUQCSA-N 1 3 268.361 -0.142 20 0 CBADHO CC[N@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248854407 352356140 /nfs/dbraw/zinc/35/61/40/352356140.db2.gz CKWFJERZPZGNTK-WDEREUQCSA-N 1 3 268.361 -0.142 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252539409 352378360 /nfs/dbraw/zinc/37/83/60/352378360.db2.gz BNXRJKWPXBCNNV-SRVKXCTJSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000252842583 352380489 /nfs/dbraw/zinc/38/04/89/352380489.db2.gz CQXDTYHJPLNBMQ-YFKTTZPYSA-N 1 3 255.362 -0.051 20 0 CBADHO COC[C@@]1(C(=O)NCCN(C)C2CC2)CC[NH2+]C1 ZINC000261585219 352389955 /nfs/dbraw/zinc/38/99/55/352389955.db2.gz SVXZWYPONAOWMQ-CYBMUJFWSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262637334 352428986 /nfs/dbraw/zinc/42/89/86/352428986.db2.gz ILRUQAYUVUWIGJ-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1NCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1C ZINC000262764214 352433821 /nfs/dbraw/zinc/43/38/21/352433821.db2.gz IXHQXKSETNZYDY-RWMBFGLXSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000263243383 352440038 /nfs/dbraw/zinc/44/00/38/352440038.db2.gz MAPQJQSOTCQVHF-GYSYKLTISA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000263243383 352440043 /nfs/dbraw/zinc/44/00/43/352440043.db2.gz MAPQJQSOTCQVHF-GYSYKLTISA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000263225759 352440479 /nfs/dbraw/zinc/44/04/79/352440479.db2.gz GKTKIZGIMSQYNI-JKOKRWQUSA-N 1 3 296.415 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000263225759 352440481 /nfs/dbraw/zinc/44/04/81/352440481.db2.gz GKTKIZGIMSQYNI-JKOKRWQUSA-N 1 3 296.415 -0.315 20 0 CBADHO CCNC(=O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262158005 352407845 /nfs/dbraw/zinc/40/78/45/352407845.db2.gz GQTUSCXXVGMXLF-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO NCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000269241298 352465283 /nfs/dbraw/zinc/46/52/83/352465283.db2.gz BKFBGMUUIYSTPZ-UHFFFAOYSA-N 1 3 277.372 -0.331 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312734053 352776209 /nfs/dbraw/zinc/77/62/09/352776209.db2.gz TUJWTDRZRYZOOB-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312734053 352776212 /nfs/dbraw/zinc/77/62/12/352776212.db2.gz TUJWTDRZRYZOOB-HUUCEWRRSA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000310401120 352759004 /nfs/dbraw/zinc/75/90/04/352759004.db2.gz UNCBBFZNYRMQTD-MRVPVSSYSA-N 1 3 253.293 -0.337 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1N(C)C ZINC000331456010 352915651 /nfs/dbraw/zinc/91/56/51/352915651.db2.gz HMXAXSYQBYRFLA-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1CC2(CN1CC(=O)NC(N)=O)CC[NH2+]CC2 ZINC000331632760 352926300 /nfs/dbraw/zinc/92/63/00/352926300.db2.gz MADOBMSSRIMVDC-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000331962444 352928495 /nfs/dbraw/zinc/92/84/95/352928495.db2.gz KNTNUAVUGRRJSO-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH+](C)C1(CNC(=O)N2CCOC3(CNC3)C2)CCC1 ZINC000333563067 353003321 /nfs/dbraw/zinc/00/33/21/353003321.db2.gz LPLRJLXRXBQDOS-UHFFFAOYSA-N 1 3 282.388 -0.146 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)C3CCC3)C[C@H]2[NH3+])cn1 ZINC000333561520 353003713 /nfs/dbraw/zinc/00/37/13/353003713.db2.gz LBSDFCZYQZDJIL-XQQFMLRXSA-N 1 3 277.372 -0.199 20 0 CBADHO C[C@@H]1CC2(CN1CC(=O)N1CCNC(=O)C1)CC[NH2+]CC2 ZINC000333644520 353006499 /nfs/dbraw/zinc/00/64/99/353006499.db2.gz XVXBUEJGAWAWRA-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)N1CCN2CCC[C@@H]2C1 ZINC000333814270 353011819 /nfs/dbraw/zinc/01/18/19/353011819.db2.gz JXDMWVZWDXIOQT-CYBMUJFWSA-N 1 3 281.404 -0.619 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336828412 353061363 /nfs/dbraw/zinc/06/13/63/353061363.db2.gz PJTLRAZBLGZQDK-DGCLKSJQSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336828412 353061366 /nfs/dbraw/zinc/06/13/66/353061366.db2.gz PJTLRAZBLGZQDK-DGCLKSJQSA-N 1 3 286.420 -0.068 20 0 CBADHO COCCN1CC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000336903397 353064849 /nfs/dbraw/zinc/06/48/49/353064849.db2.gz VEFLJIIKIDVFGQ-CYBMUJFWSA-N 1 3 259.394 -0.125 20 0 CBADHO C[NH+](C)CC1CCN(CCCS(N)(=O)=O)CC1 ZINC000336706249 353047581 /nfs/dbraw/zinc/04/75/81/353047581.db2.gz FOVURFJZJNOCLV-UHFFFAOYSA-N 1 3 263.407 -0.061 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C1(N)CCOCC1 ZINC000338149126 353087263 /nfs/dbraw/zinc/08/72/63/353087263.db2.gz JGDHLMVDWZTANT-UHFFFAOYSA-N 1 3 273.377 -0.421 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C1(N)CCOCC1 ZINC000338149126 353087264 /nfs/dbraw/zinc/08/72/64/353087264.db2.gz JGDHLMVDWZTANT-UHFFFAOYSA-N 1 3 273.377 -0.421 20 0 CBADHO CN(CCCCC[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340222652 353158517 /nfs/dbraw/zinc/15/85/17/353158517.db2.gz QDCSEMNACOENFO-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCCCC[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340222652 353158518 /nfs/dbraw/zinc/15/85/18/353158518.db2.gz QDCSEMNACOENFO-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC1=[NH+]CCCN1 ZINC000340037251 353145032 /nfs/dbraw/zinc/14/50/32/353145032.db2.gz JAKACMGYYFFYGJ-GFCCVEGCSA-N 1 3 281.404 -0.132 20 0 CBADHO C[C@H]([NH3+])CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000340184496 353154817 /nfs/dbraw/zinc/15/48/17/353154817.db2.gz MIECAGGNDWXRKE-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340483004 353172744 /nfs/dbraw/zinc/17/27/44/353172744.db2.gz ZWNGCGFNMBGNKK-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340483004 353172745 /nfs/dbraw/zinc/17/27/45/353172745.db2.gz ZWNGCGFNMBGNKK-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000340690704 353182553 /nfs/dbraw/zinc/18/25/53/353182553.db2.gz QMXPPYYIYXKUCV-CYBMUJFWSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CCN(C)C)C[NH+]1CCCC1 ZINC000340763902 353184575 /nfs/dbraw/zinc/18/45/75/353184575.db2.gz BACYFOFPODHGOQ-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000341259767 353207429 /nfs/dbraw/zinc/20/74/29/353207429.db2.gz LFLDEILNUCQNQC-STQMWFEESA-N 1 3 268.405 -0.310 20 0 CBADHO COC(=O)CN1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000342773589 353232555 /nfs/dbraw/zinc/23/25/55/353232555.db2.gz BZRYCTLKIMXNOF-UHFFFAOYSA-N 1 3 299.415 -0.330 20 0 CBADHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342687578 353227535 /nfs/dbraw/zinc/22/75/35/353227535.db2.gz BKROSHQZWSXRSX-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342687581 353227638 /nfs/dbraw/zinc/22/76/38/353227638.db2.gz BKROSHQZWSXRSX-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CCC(=O)OC ZINC000342695883 353228143 /nfs/dbraw/zinc/22/81/43/353228143.db2.gz GLOPRDBWGOOILP-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CCC(=O)OC ZINC000342695883 353228146 /nfs/dbraw/zinc/22/81/46/353228146.db2.gz GLOPRDBWGOOILP-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342712391 353229025 /nfs/dbraw/zinc/22/90/25/353229025.db2.gz RMGZCUDXKZUYQT-KOLCDFICSA-N 1 3 271.361 -0.134 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342712391 353229027 /nfs/dbraw/zinc/22/90/27/353229027.db2.gz RMGZCUDXKZUYQT-KOLCDFICSA-N 1 3 271.361 -0.134 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343130515 353254995 /nfs/dbraw/zinc/25/49/95/353254995.db2.gz PLLPQOBWAPIXFO-ZIAGYGMSSA-N 1 3 282.432 -0.062 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343130515 353255000 /nfs/dbraw/zinc/25/50/00/353255000.db2.gz PLLPQOBWAPIXFO-ZIAGYGMSSA-N 1 3 282.432 -0.062 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343179486 353257921 /nfs/dbraw/zinc/25/79/21/353257921.db2.gz LAQNBLKOJONMQF-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343179486 353257924 /nfs/dbraw/zinc/25/79/24/353257924.db2.gz LAQNBLKOJONMQF-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343485581 353274679 /nfs/dbraw/zinc/27/46/79/353274679.db2.gz RXSLIGMSBSCBTC-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419401010 295860254 /nfs/dbraw/zinc/86/02/54/295860254.db2.gz ADAVMQXJSKXBMN-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH+](C)CCOCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000346018695 353358526 /nfs/dbraw/zinc/35/85/26/353358526.db2.gz VGZRRERFKJGOOY-CYBMUJFWSA-N 1 3 284.404 -0.929 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536694 353382211 /nfs/dbraw/zinc/38/22/11/353382211.db2.gz TXOOOBMLRVRDBN-DGCLKSJQSA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@@H+]1C ZINC000347993778 353404028 /nfs/dbraw/zinc/40/40/28/353404028.db2.gz BTDPZLCLHXQGMZ-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@H+]1C ZINC000347993778 353404032 /nfs/dbraw/zinc/40/40/32/353404032.db2.gz BTDPZLCLHXQGMZ-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO C[N@H+](C[C@@H](O)CN1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357425 353481949 /nfs/dbraw/zinc/48/19/49/353481949.db2.gz MZOCZSGHJUPFEW-DGCLKSJQSA-N 1 3 255.362 -0.361 20 0 CBADHO C[N@@H+](C[C@@H](O)CN1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000352357425 353481951 /nfs/dbraw/zinc/48/19/51/353481951.db2.gz MZOCZSGHJUPFEW-DGCLKSJQSA-N 1 3 255.362 -0.361 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000349983496 353469208 /nfs/dbraw/zinc/46/92/08/353469208.db2.gz BIQVDAUKGXZAJM-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000351518588 353475982 /nfs/dbraw/zinc/47/59/82/353475982.db2.gz CRBGHLVSYSMVDF-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000352806326 353506253 /nfs/dbraw/zinc/50/62/53/353506253.db2.gz PZQQYHOXRYNGTF-RBSFLKMASA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000352806326 353506255 /nfs/dbraw/zinc/50/62/55/353506255.db2.gz PZQQYHOXRYNGTF-RBSFLKMASA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000352806325 353506422 /nfs/dbraw/zinc/50/64/22/353506422.db2.gz PZQQYHOXRYNGTF-QLFBSQMISA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000352806325 353506423 /nfs/dbraw/zinc/50/64/23/353506423.db2.gz PZQQYHOXRYNGTF-QLFBSQMISA-N 1 3 292.427 -0.071 20 0 CBADHO COCCN(C)CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352732909 353504042 /nfs/dbraw/zinc/50/40/42/353504042.db2.gz VPFBIALSLWMWJJ-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352732909 353504045 /nfs/dbraw/zinc/50/40/45/353504045.db2.gz VPFBIALSLWMWJJ-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354669539 353577027 /nfs/dbraw/zinc/57/70/27/353577027.db2.gz IIAMQWRLEQJDOK-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354710501 353579610 /nfs/dbraw/zinc/57/96/10/353579610.db2.gz OGVSWROBXIDVBR-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354702466 353579616 /nfs/dbraw/zinc/57/96/16/353579616.db2.gz YHDPSKXKILSDFQ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000354748050 353582866 /nfs/dbraw/zinc/58/28/66/353582866.db2.gz BAFRZHYHFQYGMG-IJLUTSLNSA-N 1 3 282.388 -0.547 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000356087719 353596579 /nfs/dbraw/zinc/59/65/79/353596579.db2.gz JCTQGMYGVSKNSS-GFCCVEGCSA-N 1 3 272.393 -0.090 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358504448 353648436 /nfs/dbraw/zinc/64/84/36/353648436.db2.gz ROESMUNFMNSARP-PWSUYJOCSA-N 1 3 258.366 -0.698 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000361328322 353661473 /nfs/dbraw/zinc/66/14/73/353661473.db2.gz KGKZKXPJBWXRRD-ZIAGYGMSSA-N 1 3 271.405 -0.296 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)C1 ZINC000365091154 353672898 /nfs/dbraw/zinc/67/28/98/353672898.db2.gz MQJZNYXTXPBOES-WHOHXGKFSA-N 1 3 287.429 -0.133 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1C1CC1 ZINC000365313097 353673662 /nfs/dbraw/zinc/67/36/62/353673662.db2.gz AKAPOVFZMYPARN-BSJXLVFVSA-N 1 3 253.346 -0.549 20 0 CBADHO C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000370772017 353691667 /nfs/dbraw/zinc/69/16/67/353691667.db2.gz JCPRZSZGSWHTDS-TZMCWYRMSA-N 1 3 286.395 -0.312 20 0 CBADHO C[NH2+]CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000372099832 353710313 /nfs/dbraw/zinc/71/03/13/353710313.db2.gz YUGAXHMQAXJJIV-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000372097957 353710364 /nfs/dbraw/zinc/71/03/64/353710364.db2.gz FHDPPCYLHFTDQR-GFCCVEGCSA-N 1 3 268.405 -0.038 20 0 CBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000372097957 353710366 /nfs/dbraw/zinc/71/03/66/353710366.db2.gz FHDPPCYLHFTDQR-GFCCVEGCSA-N 1 3 268.405 -0.038 20 0 CBADHO C[NH+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000372366713 353715287 /nfs/dbraw/zinc/71/52/87/353715287.db2.gz CBTSXUVMBRSOAC-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO C[NH2+]CCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000375834873 353768322 /nfs/dbraw/zinc/76/83/22/353768322.db2.gz PLJMFNQCVARPLP-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO COCCNCCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377806687 353779517 /nfs/dbraw/zinc/77/95/17/353779517.db2.gz ICBSMCJPCXZCDG-RYUDHWBXSA-N 1 3 257.378 -0.027 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000400212027 353800315 /nfs/dbraw/zinc/80/03/15/353800315.db2.gz VQPDBXNRAKVMNM-DCAQKATOSA-N 1 3 261.391 -0.120 20 0 CBADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)NC(N)=O)C2 ZINC000385399502 353787019 /nfs/dbraw/zinc/78/70/19/353787019.db2.gz LMOQSXZZIRISJU-CABZTGNLSA-N 1 3 254.334 -0.368 20 0 CBADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000385399502 353787023 /nfs/dbraw/zinc/78/70/23/353787023.db2.gz LMOQSXZZIRISJU-CABZTGNLSA-N 1 3 254.334 -0.368 20 0 CBADHO NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385399502 353787025 /nfs/dbraw/zinc/78/70/25/353787025.db2.gz LMOQSXZZIRISJU-CABZTGNLSA-N 1 3 254.334 -0.368 20 0 CBADHO CN(C)C(=O)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000390295341 353791201 /nfs/dbraw/zinc/79/12/01/353791201.db2.gz YBGMRLCJTDKIEJ-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418407482 353996856 /nfs/dbraw/zinc/99/68/56/353996856.db2.gz FQAIXFDOARVYTE-BZPMIXESSA-N 1 3 284.404 -0.130 20 0 CBADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CNCCO1 ZINC000416789679 353973191 /nfs/dbraw/zinc/97/31/91/353973191.db2.gz KWILPMHSMOWDCI-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417091662 353976726 /nfs/dbraw/zinc/97/67/26/353976726.db2.gz KGLQCKHNVFLIIY-GDNZZTSVSA-N 1 3 270.377 -0.528 20 0 CBADHO COCC[NH2+]CCNC(=O)NC[C@@H]1CCCN1C ZINC000417290048 353976864 /nfs/dbraw/zinc/97/68/64/353976864.db2.gz WKILPQSLVMZVLF-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN(C)CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417440195 353977942 /nfs/dbraw/zinc/97/79/42/353977942.db2.gz NPFPZDWRQZZYGM-UHFFFAOYSA-N 1 3 258.366 -0.304 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417445003 353978038 /nfs/dbraw/zinc/97/80/38/353978038.db2.gz FIHMKGXMMKEGQK-LBPRGKRZSA-N 1 3 272.393 -0.137 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418407484 353997230 /nfs/dbraw/zinc/99/72/30/353997230.db2.gz FQAIXFDOARVYTE-DYEKYZERSA-N 1 3 284.404 -0.130 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417569169 353979616 /nfs/dbraw/zinc/97/96/16/353979616.db2.gz QBONQDLTTWQKHM-VXGBXAGGSA-N 1 3 272.393 -0.009 20 0 CBADHO C[NH2+]CCNC(=O)NC[C@H]1CCCN1CCOC ZINC000417564946 353979935 /nfs/dbraw/zinc/97/99/35/353979935.db2.gz JZDDTPFQWVOOGO-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417674890 353980570 /nfs/dbraw/zinc/98/05/70/353980570.db2.gz BAQTVZHXGSHOJA-LLVKDONJSA-N 1 3 270.377 -0.242 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000417682809 353980897 /nfs/dbraw/zinc/98/08/97/353980897.db2.gz LSQQNWRFVGPLGN-CYBMUJFWSA-N 1 3 295.431 -0.182 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000417708047 353982083 /nfs/dbraw/zinc/98/20/83/353982083.db2.gz OABWALLSQQSSGL-VXGBXAGGSA-N 1 3 272.393 -0.138 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000418424172 353997322 /nfs/dbraw/zinc/99/73/22/353997322.db2.gz GMVDICQPUOXXAU-WCQYABFASA-N 1 3 272.393 -0.274 20 0 CBADHO COCCCN(C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417760382 353982924 /nfs/dbraw/zinc/98/29/24/353982924.db2.gz XSOHHXHEYHEWIU-NSHDSACASA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776237 353982981 /nfs/dbraw/zinc/98/29/81/353982981.db2.gz AHDZHAHBWVFIRS-AGIUHOORSA-N 1 3 296.415 -0.312 20 0 CBADHO CC1(C)CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCN1 ZINC000417847736 353984954 /nfs/dbraw/zinc/98/49/54/353984954.db2.gz ZOZMDGAGLNAIEJ-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCCN1C ZINC000418003877 353986423 /nfs/dbraw/zinc/98/64/23/353986423.db2.gz NLZLGGOJOBLHDO-OLZOCXBDSA-N 1 3 283.420 -0.327 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCCN1C ZINC000418008754 353986720 /nfs/dbraw/zinc/98/67/20/353986720.db2.gz SROOCKPWBCQLMI-AGIUHOORSA-N 1 3 283.420 -0.328 20 0 CBADHO C[C@H]1[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCCN1C ZINC000418011597 353986773 /nfs/dbraw/zinc/98/67/73/353986773.db2.gz XBRSGUVTBIJWPY-USZNOCQGSA-N 1 3 270.377 -0.557 20 0 CBADHO CN(C)CCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418067979 353987427 /nfs/dbraw/zinc/98/74/27/353987427.db2.gz NHBJLKFTSKPENA-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCOCCN(C)C ZINC000418067262 353987661 /nfs/dbraw/zinc/98/76/61/353987661.db2.gz MLONFPVPYKQCMM-VXGBXAGGSA-N 1 3 272.393 -0.138 20 0 CBADHO CC(C)C[C@H](NC(=O)NCC[NH3+])C(=O)NCCN(C)C ZINC000418306776 353992926 /nfs/dbraw/zinc/99/29/26/353992926.db2.gz RVXYSFYLLDHNHV-NSHDSACASA-N 1 3 287.408 -0.663 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418334044 353993778 /nfs/dbraw/zinc/99/37/78/353993778.db2.gz SRUYPXLSGYYKLP-UHFFFAOYSA-N 1 3 299.419 -0.599 20 0 CBADHO C[NH2+]CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418334426 353993896 /nfs/dbraw/zinc/99/38/96/353993896.db2.gz UCHLVMZGVBTYOH-UHFFFAOYSA-N 1 3 297.403 -0.845 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418362974 353994688 /nfs/dbraw/zinc/99/46/88/353994688.db2.gz BOEKQIJLNJJNCP-OLZOCXBDSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN1CCCO ZINC000418361131 353994863 /nfs/dbraw/zinc/99/48/63/353994863.db2.gz GSYFTMBIIBOQQC-CHWSQXEVSA-N 1 3 284.404 -0.116 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418376495 353995626 /nfs/dbraw/zinc/99/56/26/353995626.db2.gz UOEXMBFOLVZMIE-LLVKDONJSA-N 1 3 258.366 -0.648 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418376496 353995876 /nfs/dbraw/zinc/99/58/76/353995876.db2.gz UOEXMBFOLVZMIE-NSHDSACASA-N 1 3 258.366 -0.648 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385126 353995974 /nfs/dbraw/zinc/99/59/74/353995974.db2.gz PQHAGJVTONLOGK-NSHDSACASA-N 1 3 258.366 -0.648 20 0 CBADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@H]1CCC[NH2+]C1 ZINC000418382608 353996085 /nfs/dbraw/zinc/99/60/85/353996085.db2.gz MLIYCJKAXLLPFV-QWHCGFSZSA-N 1 3 284.404 -0.116 20 0 CBADHO c1cnc(N2CCN(CC[NH2+][C@@H]3CCCNC3)CC2)nc1 ZINC000415091195 353963320 /nfs/dbraw/zinc/96/33/20/353963320.db2.gz PWIRIDBBGNDVHS-CQSZACIVSA-N 1 3 290.415 -0.060 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232041 354040312 /nfs/dbraw/zinc/04/03/12/354040312.db2.gz UBWILIKHXLUIIA-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419245056 354041081 /nfs/dbraw/zinc/04/10/81/354041081.db2.gz VBTRRWHWHMXWMC-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418427770 353998310 /nfs/dbraw/zinc/99/83/10/353998310.db2.gz OUDFCIFAWHKIRW-LBPRGKRZSA-N 1 3 274.409 -0.027 20 0 CBADHO COCC[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418514763 354000810 /nfs/dbraw/zinc/00/08/10/354000810.db2.gz XNOZFQFDJIYQBI-MNOVXSKESA-N 1 3 258.366 -0.386 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418513667 354001624 /nfs/dbraw/zinc/00/16/24/354001624.db2.gz VFEATGTXZFDSFP-NEPJUHHUSA-N 1 3 272.393 -0.009 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418549445 354002372 /nfs/dbraw/zinc/00/23/72/354002372.db2.gz KSNKRIMIRMTVNB-VXGBXAGGSA-N 1 3 272.393 -0.402 20 0 CBADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CNCCO1)C1CCCC1 ZINC000418598163 354003265 /nfs/dbraw/zinc/00/32/65/354003265.db2.gz QIKSLNXSFXZBJZ-NWDGAFQWSA-N 1 3 270.377 -0.209 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418564979 354003276 /nfs/dbraw/zinc/00/32/76/354003276.db2.gz KLHRAHZVAPROJV-RYUDHWBXSA-N 1 3 272.393 -0.274 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662715 354004898 /nfs/dbraw/zinc/00/48/98/354004898.db2.gz UWDHEORYOCBPBV-UONOGXRCSA-N 1 3 298.431 -0.012 20 0 CBADHO COC[C@]1(CNC(=O)NCCN(C)C)CCC[NH2+]1 ZINC000418652978 354005394 /nfs/dbraw/zinc/00/53/94/354005394.db2.gz JZSDEMAXNHRJEK-GFCCVEGCSA-N 1 3 258.366 -0.384 20 0 CBADHO COC[C@@]1(CNC(=O)N(C)CCN(C)C)CCC[NH2+]1 ZINC000418653238 354005403 /nfs/dbraw/zinc/00/54/03/354005403.db2.gz KGNNSQSJPPJGTD-ZDUSSCGKSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)N(CCOC)CCN(C)C ZINC000418705511 354006449 /nfs/dbraw/zinc/00/64/49/354006449.db2.gz DPLWJWJQJRRMGE-LLVKDONJSA-N 1 3 260.382 -0.057 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000418762173 354006961 /nfs/dbraw/zinc/00/69/61/354006961.db2.gz IQAHYMNGVHHJBI-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418828945 354010462 /nfs/dbraw/zinc/01/04/62/354010462.db2.gz IKWAYCARFROOGL-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H](CN)C2CC2)CCCC1 ZINC000418839362 354011431 /nfs/dbraw/zinc/01/14/31/354011431.db2.gz WQFHZYYIINMAON-GFCCVEGCSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCN)([NH+](C)C)C1 ZINC000418925706 354015748 /nfs/dbraw/zinc/01/57/48/354015748.db2.gz RKAGBDKPWXICBF-RISCZKNCSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419000350 354022341 /nfs/dbraw/zinc/02/23/41/354022341.db2.gz OFRXZWLLDPLFPR-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419029775 354024914 /nfs/dbraw/zinc/02/49/14/354024914.db2.gz SCFZYEXOAMEPKC-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419029773 354025191 /nfs/dbraw/zinc/02/51/91/354025191.db2.gz SCFZYEXOAMEPKC-QJPTWQEYSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032915 354025332 /nfs/dbraw/zinc/02/53/32/354025332.db2.gz XPXVZSCFEAXUMU-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419034445 354026677 /nfs/dbraw/zinc/02/66/77/354026677.db2.gz ZNRKALYWULQLBQ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000419082933 354027173 /nfs/dbraw/zinc/02/71/73/354027173.db2.gz BGZIPSFYBKVXES-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[NH3+] ZINC000419080882 354027719 /nfs/dbraw/zinc/02/77/19/354027719.db2.gz QKRHNOHHGITRCG-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000419112528 354028341 /nfs/dbraw/zinc/02/83/41/354028341.db2.gz VEWUWJAEPXUUFE-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419100139 354028770 /nfs/dbraw/zinc/02/87/70/354028770.db2.gz IVMCMROMUQPWRQ-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419126080 354029393 /nfs/dbraw/zinc/02/93/93/354029393.db2.gz VQZZHEWKXDGLAI-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCN)CC(C)C ZINC000419126955 354029531 /nfs/dbraw/zinc/02/95/31/354029531.db2.gz OPOINORRJPDGHO-LBPRGKRZSA-N 1 3 286.420 -0.066 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419279003 354043208 /nfs/dbraw/zinc/04/32/08/354043208.db2.gz BVCRSRGAOSRVSP-LLVKDONJSA-N 1 3 272.393 -0.455 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1CN ZINC000419159499 354034383 /nfs/dbraw/zinc/03/43/83/354034383.db2.gz ZIUJQFPLIACHAX-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N(C)C1CC1 ZINC000419575829 354062902 /nfs/dbraw/zinc/06/29/02/354062902.db2.gz BIBDOZGCVAPNHK-BXKDBHETSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419585684 354063348 /nfs/dbraw/zinc/06/33/48/354063348.db2.gz LXTSSSNJRSPYDJ-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419577876 354063420 /nfs/dbraw/zinc/06/34/20/354063420.db2.gz DFUWSJGYTGNZLP-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000419581582 354063816 /nfs/dbraw/zinc/06/38/16/354063816.db2.gz INYWJVSCFRZQSZ-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419585814 354064225 /nfs/dbraw/zinc/06/42/25/354064225.db2.gz MKVDUSPFWOVKKS-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N(C)C1CC1 ZINC000419596037 354064958 /nfs/dbraw/zinc/06/49/58/354064958.db2.gz XLCRUBNNTUPTBI-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419593578 354065396 /nfs/dbraw/zinc/06/53/96/354065396.db2.gz SWMMJACYZAIGLS-WCQYABFASA-N 1 3 296.415 -0.075 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000419591372 354065414 /nfs/dbraw/zinc/06/54/14/354065414.db2.gz QXYINZOUJUSNQX-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C1CC1 ZINC000419590350 354065644 /nfs/dbraw/zinc/06/56/44/354065644.db2.gz QAHAPYPCGMOVJX-WZRBSPASSA-N 1 3 294.399 -0.594 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419877565 354087955 /nfs/dbraw/zinc/08/79/55/354087955.db2.gz REEIMCKPWGWIHO-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419692763 354070209 /nfs/dbraw/zinc/07/02/09/354070209.db2.gz HFHZYSUGKVLRCS-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419701259 354071391 /nfs/dbraw/zinc/07/13/91/354071391.db2.gz ZABLFLLYBJYWFJ-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419716099 354071520 /nfs/dbraw/zinc/07/15/20/354071520.db2.gz QCUHZDDPWQVXHW-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419721319 354072998 /nfs/dbraw/zinc/07/29/98/354072998.db2.gz GQRDMIKOSUAGRH-NSHDSACASA-N 1 3 272.393 -0.456 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419734157 354073649 /nfs/dbraw/zinc/07/36/49/354073649.db2.gz OVBCCOCCPRJREN-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419737335 354073740 /nfs/dbraw/zinc/07/37/40/354073740.db2.gz SWEKDNOBPLGXSS-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419733014 354073869 /nfs/dbraw/zinc/07/38/69/354073869.db2.gz NNHIRUGXGYFVQO-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419730913 354074049 /nfs/dbraw/zinc/07/40/49/354074049.db2.gz KSGNMGIDBJCMFS-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419737899 354074120 /nfs/dbraw/zinc/07/41/20/354074120.db2.gz UERZTFRRVRUWCF-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419739254 354074158 /nfs/dbraw/zinc/07/41/58/354074158.db2.gz VYXQBCQGFYKAMI-OLZOCXBDSA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419741766 354074674 /nfs/dbraw/zinc/07/46/74/354074674.db2.gz ZOLUHZGOSPQLJY-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419759140 354074738 /nfs/dbraw/zinc/07/47/38/354074738.db2.gz GETHAGIOSMZHOZ-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419740894 354074990 /nfs/dbraw/zinc/07/49/90/354074990.db2.gz YOJXXTFHFDGDTE-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419766544 354075572 /nfs/dbraw/zinc/07/55/72/354075572.db2.gz RMTGJLSAXUNMAS-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419768229 354076312 /nfs/dbraw/zinc/07/63/12/354076312.db2.gz UBUCVAWAZOBXTI-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419774930 354077165 /nfs/dbraw/zinc/07/71/65/354077165.db2.gz KFJUJMKZZCOGEN-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419779049 354077269 /nfs/dbraw/zinc/07/72/69/354077269.db2.gz PDOXBVIQPALZCG-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419779051 354077653 /nfs/dbraw/zinc/07/76/53/354077653.db2.gz PDOXBVIQPALZCG-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419780242 354077692 /nfs/dbraw/zinc/07/76/92/354077692.db2.gz QNOYFHMEDJRNOE-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)C[NH+]1CCCC1 ZINC000419823622 354080429 /nfs/dbraw/zinc/08/04/29/354080429.db2.gz MDPVEDGTRGZHBB-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419831120 354081251 /nfs/dbraw/zinc/08/12/51/354081251.db2.gz LITWJYBNGDMBOC-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC[NH3+])N1CCC[C@H](C)C1 ZINC000419841790 354083344 /nfs/dbraw/zinc/08/33/44/354083344.db2.gz UTZWGXZYMFPOHA-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)C[NH+]1CCCC1 ZINC000419838233 354083406 /nfs/dbraw/zinc/08/34/06/354083406.db2.gz XNMOTWSSNAXGJY-WCQYABFASA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419847372 354084172 /nfs/dbraw/zinc/08/41/72/354084172.db2.gz SZRQLIDZZRKOGY-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419858553 354085697 /nfs/dbraw/zinc/08/56/97/354085697.db2.gz IFTGGAGRJYMGLU-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419852743 354085818 /nfs/dbraw/zinc/08/58/18/354085818.db2.gz LYVFMFMMNMLVSQ-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000419863286 354086420 /nfs/dbraw/zinc/08/64/20/354086420.db2.gz CKYBAMGKRFDQSA-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419870769 354087018 /nfs/dbraw/zinc/08/70/18/354087018.db2.gz SKFKXJLJZQZEQI-LBPRGKRZSA-N 1 3 284.404 -0.362 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419287772 354044517 /nfs/dbraw/zinc/04/45/17/354044517.db2.gz QMOUAAWOQUODME-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419286915 354044967 /nfs/dbraw/zinc/04/49/67/354044967.db2.gz PAAQGPBTHOMGEE-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419403015 354050891 /nfs/dbraw/zinc/05/08/91/354050891.db2.gz CZCLNDPKKYNWTD-WCQYABFASA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419410006 354052466 /nfs/dbraw/zinc/05/24/66/354052466.db2.gz NWTALLJIIPRYNG-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419413157 354052705 /nfs/dbraw/zinc/05/27/05/354052705.db2.gz CZUIEBXYMLQNAO-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419414013 354052746 /nfs/dbraw/zinc/05/27/46/354052746.db2.gz DRXCLXIJBLMPJC-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419411615 354052763 /nfs/dbraw/zinc/05/27/63/354052763.db2.gz QCMHNKZEZJDWCH-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419416993 354053097 /nfs/dbraw/zinc/05/30/97/354053097.db2.gz HMGCVOQJYQPYQF-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419417170 354053431 /nfs/dbraw/zinc/05/34/31/354053431.db2.gz WYMYWCAGPIMEGW-RWMBFGLXSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000419502246 354056849 /nfs/dbraw/zinc/05/68/49/354056849.db2.gz CLYLYFYVGBLMKZ-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)C1CC1 ZINC000419520976 354057322 /nfs/dbraw/zinc/05/73/22/354057322.db2.gz JGPUWTCRUVVHKP-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419521565 354057580 /nfs/dbraw/zinc/05/75/80/354057580.db2.gz KGGXCIAJOXRXDQ-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419522647 354057680 /nfs/dbraw/zinc/05/76/80/354057680.db2.gz MYQUMERBLSMCBD-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419524538 354058096 /nfs/dbraw/zinc/05/80/96/354058096.db2.gz QAOYJGHSBMGGLQ-LBPRGKRZSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419524517 354058458 /nfs/dbraw/zinc/05/84/58/354058458.db2.gz PXLGORROQHOYSO-NEPJUHHUSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419528032 354058657 /nfs/dbraw/zinc/05/86/57/354058657.db2.gz VUDDCPRTFHDCJV-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)CCN)C(C)(C)C[NH+](C)C ZINC000419549745 354060181 /nfs/dbraw/zinc/06/01/81/354060181.db2.gz UEZYDPBCEYUFEO-SNVBAGLBSA-N 1 3 272.393 -0.504 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419940368 354094330 /nfs/dbraw/zinc/09/43/30/354094330.db2.gz KPDCYKNTYDNQDS-LLVKDONJSA-N 1 3 272.393 -0.504 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419936872 354094409 /nfs/dbraw/zinc/09/44/09/354094409.db2.gz LVMPGLYDLRNROV-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419948661 354095342 /nfs/dbraw/zinc/09/53/42/354095342.db2.gz KLWYTKWGASYYNW-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944403 354095396 /nfs/dbraw/zinc/09/53/96/354095396.db2.gz AQPWLCAXRRNGBK-GFCCVEGCSA-N 1 3 286.420 -0.256 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419945100 354095568 /nfs/dbraw/zinc/09/55/68/354095568.db2.gz BZSJHJUEVXJNMT-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953553 354096337 /nfs/dbraw/zinc/09/63/37/354096337.db2.gz PVXQWFIHTXCIAN-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419966386 354098099 /nfs/dbraw/zinc/09/80/99/354098099.db2.gz ZQZXQYWRXDMJHP-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419991456 354100420 /nfs/dbraw/zinc/10/04/20/354100420.db2.gz DJUXKKBGDCCDNS-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419991454 354100496 /nfs/dbraw/zinc/10/04/96/354100496.db2.gz DJUXKKBGDCCDNS-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419998008 354100917 /nfs/dbraw/zinc/10/09/17/354100917.db2.gz MHKIXVSFCBIHMT-RYUDHWBXSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000420012796 354102157 /nfs/dbraw/zinc/10/21/57/354102157.db2.gz JUEBIFWOHHQKDQ-UTUOFQBUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CCN(C)C ZINC000420022211 354103065 /nfs/dbraw/zinc/10/30/65/354103065.db2.gz VLYBIOUXBFVQOL-SNVBAGLBSA-N 1 3 258.366 -0.894 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420062868 354106198 /nfs/dbraw/zinc/10/61/98/354106198.db2.gz MPGREOFQIJUWGO-GFCCVEGCSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420063671 354106709 /nfs/dbraw/zinc/10/67/09/354106709.db2.gz NPKDLZOZJIHUJV-ZDUSSCGKSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420068065 354106951 /nfs/dbraw/zinc/10/69/51/354106951.db2.gz UCESIMWXNBZCEF-CYBMUJFWSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420068066 354107250 /nfs/dbraw/zinc/10/72/50/354107250.db2.gz UCESIMWXNBZCEF-ZDUSSCGKSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NCC(C)(C)[NH3+])CCC1 ZINC000420074268 354107347 /nfs/dbraw/zinc/10/73/47/354107347.db2.gz HKBJKBOMIRJJQP-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000420109722 354109216 /nfs/dbraw/zinc/10/92/16/354109216.db2.gz DSXBQVFIEJZVFS-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420141093 354111944 /nfs/dbraw/zinc/11/19/44/354111944.db2.gz JETFXMRYXBKURQ-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000420149334 354113191 /nfs/dbraw/zinc/11/31/91/354113191.db2.gz VBLRUGPFNZZIAN-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO CCOC(=O)CCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420294520 354121803 /nfs/dbraw/zinc/12/18/03/354121803.db2.gz OREKPVXSWXXIGU-LLVKDONJSA-N 1 3 271.361 -0.274 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321577 354122656 /nfs/dbraw/zinc/12/26/56/354122656.db2.gz CXCCWKFAGZBLCU-STQMWFEESA-N 1 3 297.399 -0.013 20 0 CBADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345927 354124455 /nfs/dbraw/zinc/12/44/55/354124455.db2.gz WVXDKIMSGLYJTC-STQMWFEESA-N 1 3 294.399 -0.734 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC000420352452 354125871 /nfs/dbraw/zinc/12/58/71/354125871.db2.gz APJZWLDFKWYCPG-UHFFFAOYSA-N 1 3 254.378 -0.379 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000423233867 354165285 /nfs/dbraw/zinc/16/52/85/354165285.db2.gz KPSCQFJNUFAYIW-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000423233868 354165438 /nfs/dbraw/zinc/16/54/38/354165438.db2.gz KPSCQFJNUFAYIW-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423394069 354174981 /nfs/dbraw/zinc/17/49/81/354174981.db2.gz ZLAGWKBZVWXQBH-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](C)N(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422561157 354150599 /nfs/dbraw/zinc/15/05/99/354150599.db2.gz JKLKQOUZNKWRFS-IJLUTSLNSA-N 1 3 294.399 -0.111 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422961633 354158454 /nfs/dbraw/zinc/15/84/54/354158454.db2.gz CPJAOUSKMQCGQS-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422972967 354158637 /nfs/dbraw/zinc/15/86/37/354158637.db2.gz NGEVKSJNIYEGLK-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000422974697 354158793 /nfs/dbraw/zinc/15/87/93/354158793.db2.gz RSYLASQDCPUNKG-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000423517938 354179067 /nfs/dbraw/zinc/17/90/67/354179067.db2.gz USCLLTKQOQMKNX-LBPRGKRZSA-N 1 3 284.404 -0.395 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000423586714 354181340 /nfs/dbraw/zinc/18/13/40/354181340.db2.gz DXMRRHRFWHQIBI-QWHCGFSZSA-N 1 3 296.415 -0.252 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423596460 354182868 /nfs/dbraw/zinc/18/28/68/354182868.db2.gz RVDSYFHLZVEENB-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423716690 354194144 /nfs/dbraw/zinc/19/41/44/354194144.db2.gz IVTVVMHUWAXOKF-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO COCCN(CCN(C)C)C(=O)CCOC1C[NH2+]C1 ZINC000423746750 354196177 /nfs/dbraw/zinc/19/61/77/354196177.db2.gz ROENRZIAOQAJOF-UHFFFAOYSA-N 1 3 273.377 -0.599 20 0 CBADHO COCC[C@@]1(C(=O)N2CCO[C@H](CN(C)C)C2)CC[NH2+]C1 ZINC000423755646 354197131 /nfs/dbraw/zinc/19/71/31/354197131.db2.gz KCWJXTMSWNSFEU-HIFRSBDPSA-N 1 3 299.415 -0.208 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C(N)C(F)(F)F ZINC000423798800 354200412 /nfs/dbraw/zinc/20/04/12/354200412.db2.gz PEPAWWRYZSTHGN-SSDOTTSWSA-N 1 3 257.256 -0.430 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)CCOC1C[NH2+]C1 ZINC000423852093 354201965 /nfs/dbraw/zinc/20/19/65/354201965.db2.gz RXJICSYCYMVXFH-UHFFFAOYSA-N 1 3 255.362 -0.083 20 0 CBADHO [NH3+]C[C@@H](NC(=O)CCOC1CNC1)C1CCCC1 ZINC000423935889 354205514 /nfs/dbraw/zinc/20/55/14/354205514.db2.gz BDWOGSMOHHKENN-GFCCVEGCSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@H]1CCN(C(=O)CCOC2CNC2)C[C@@H]1C[NH3+] ZINC000424000767 354207040 /nfs/dbraw/zinc/20/70/40/354207040.db2.gz OPFIFZIYBNERCB-QWRGUYRKSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@@H]1CCN(C(=O)CCOC2CNC2)C[C@H]1C[NH3+] ZINC000424000764 354207341 /nfs/dbraw/zinc/20/73/41/354207341.db2.gz OPFIFZIYBNERCB-GHMZBOCLSA-N 1 3 255.362 -0.192 20 0 CBADHO CCN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424157070 354212445 /nfs/dbraw/zinc/21/24/45/354212445.db2.gz PBJQVSQDERVOMM-LLVKDONJSA-N 1 3 280.376 -0.116 20 0 CBADHO COCCNCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156997 354212526 /nfs/dbraw/zinc/21/25/26/354212526.db2.gz QDYJRFKGJMGEBU-NSHDSACASA-N 1 3 296.375 -0.832 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423510691 354178400 /nfs/dbraw/zinc/17/84/00/354178400.db2.gz POHGFBCDALQAJI-LBPRGKRZSA-N 1 3 284.404 -0.265 20 0 CBADHO CC[C@H]([NH3+])C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000431012544 354251380 /nfs/dbraw/zinc/25/13/80/354251380.db2.gz FYXDIQOJHGQDOH-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO CC(C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000435245747 354254773 /nfs/dbraw/zinc/25/47/73/354254773.db2.gz DEQFGNNECUACKZ-WCBMZHEXSA-N 1 3 260.359 -0.228 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000444264051 354266638 /nfs/dbraw/zinc/26/66/38/354266638.db2.gz BSIZCCMCCBBMGJ-IIAWOOMASA-N 1 3 294.443 -0.014 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)C(N)C(F)(F)F)C[C@H]2[NH3+])cn1 ZINC000424227831 354219901 /nfs/dbraw/zinc/21/99/01/354219901.db2.gz RNZKEABENHNPAU-YIZRAAEISA-N 1 3 291.277 -0.437 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424222861 354220447 /nfs/dbraw/zinc/22/04/47/354220447.db2.gz GACIUBZTQRYQKB-QJPTWQEYSA-N 1 3 265.361 -0.344 20 0 CBADHO CCC[NH2+]CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482886 354226494 /nfs/dbraw/zinc/22/64/94/354226494.db2.gz VVJWJAHEZHDNAF-QWHCGFSZSA-N 1 3 294.403 -0.144 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000447438389 354298831 /nfs/dbraw/zinc/29/88/31/354298831.db2.gz FGPOFJMRZONWAG-PWSUYJOCSA-N 1 3 275.418 -0.096 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270421 354267876 /nfs/dbraw/zinc/26/78/76/354267876.db2.gz PUJUPQDUUPXPJM-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)C2(C[NH3+])CCC2)CC1=O ZINC000449685039 354320921 /nfs/dbraw/zinc/32/09/21/354320921.db2.gz MQSBXWRKERHFGC-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459895190 354392370 /nfs/dbraw/zinc/39/23/70/354392370.db2.gz KDDVVOGICSCOTA-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)CC1=O ZINC000457202399 354369873 /nfs/dbraw/zinc/36/98/73/354369873.db2.gz HJPDKTMEVJHNGO-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO O=C(C[C@H]1CNCCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000519403078 354560958 /nfs/dbraw/zinc/56/09/58/354560958.db2.gz PXIAKVYYYBICNC-NEPJUHHUSA-N 1 3 253.346 -0.282 20 0 CBADHO CN1CCC[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519543823 354562656 /nfs/dbraw/zinc/56/26/56/354562656.db2.gz NFVMNULNTQGVJG-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)C[NH2+]CC3CC3)C2)nn1 ZINC000520405341 354566453 /nfs/dbraw/zinc/56/64/53/354566453.db2.gz HQZWQMKHWGMEQJ-CYBMUJFWSA-N 1 3 292.387 -0.100 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)C1CC1 ZINC000534266061 354596111 /nfs/dbraw/zinc/59/61/11/354596111.db2.gz GGRNFZVKNHOWTA-ZIAGYGMSSA-N 1 3 280.416 -0.167 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCCC1 ZINC000534268720 354596561 /nfs/dbraw/zinc/59/65/61/354596561.db2.gz UJRIBIUTYPJBIJ-ZIAGYGMSSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1cncn1 ZINC000542780524 354633447 /nfs/dbraw/zinc/63/34/47/354633447.db2.gz PHHQKEUFBDPFDJ-LBPRGKRZSA-N 1 3 282.392 -0.209 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265148 354685976 /nfs/dbraw/zinc/68/59/76/354685976.db2.gz AFDKLHAZIAWMLM-TUAOUCFPSA-N 1 3 296.415 -0.443 20 0 CBADHO COC[C@]1(CNC(=O)N2CCN(C)C[C@@H]2CN)CCC[NH2+]1 ZINC000562815796 354688358 /nfs/dbraw/zinc/68/83/58/354688358.db2.gz BFHSNTYVUDCHCD-GXTWGEPZSA-N 1 3 299.419 -0.961 20 0 CBADHO CN(CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563055008 354693767 /nfs/dbraw/zinc/69/37/67/354693767.db2.gz JSENRXAWAAERHR-LLVKDONJSA-N 1 3 292.387 -0.146 20 0 CBADHO CC[C@@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000563095198 354695702 /nfs/dbraw/zinc/69/57/02/354695702.db2.gz LOCZWOLIJYCYPK-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@](C)(CN)C2CC2)CC1 ZINC000563154377 354699579 /nfs/dbraw/zinc/69/95/79/354699579.db2.gz NGQYDFAZXYZMMI-CQSZACIVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CCN[C@](C)(C[NH3+])C2CC2)CC1 ZINC000563154377 354699580 /nfs/dbraw/zinc/69/95/80/354699580.db2.gz NGQYDFAZXYZMMI-CQSZACIVSA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCNCC1 ZINC000563150013 354699812 /nfs/dbraw/zinc/69/98/12/354699812.db2.gz SYUMLXOSPCEQAK-OLZOCXBDSA-N 1 3 266.389 -0.508 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563160100 354700832 /nfs/dbraw/zinc/70/08/32/354700832.db2.gz WSKDEOCRYMKBDA-GXTWGEPZSA-N 1 3 282.388 -0.702 20 0 CBADHO N[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956484 354708026 /nfs/dbraw/zinc/70/80/26/354708026.db2.gz SSOMDUOGJMYAFX-OLZOCXBDSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](CN)C1 ZINC000564798035 354717180 /nfs/dbraw/zinc/71/71/80/354717180.db2.gz QBSOSIRAJBPMAQ-CPCZMJQVSA-N 1 3 284.404 -0.626 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)C1CC[NH+](C2CC2)CC1 ZINC000564841462 354718241 /nfs/dbraw/zinc/71/82/41/354718241.db2.gz KHLHAUFLCHKUFK-ZDUSSCGKSA-N 1 3 267.373 -0.035 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000564841335 354718585 /nfs/dbraw/zinc/71/85/85/354718585.db2.gz DQSGBCUJPVASCM-STQMWFEESA-N 1 3 263.341 -0.339 20 0 CBADHO C[C@@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564948710 354721994 /nfs/dbraw/zinc/72/19/94/354721994.db2.gz IRLKCOUIPSCJNB-NXEZZACHSA-N 1 3 256.350 -0.820 20 0 CBADHO CCN(CC)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565237033 354733957 /nfs/dbraw/zinc/73/39/57/354733957.db2.gz AZJAAOWGCPLULJ-GHMZBOCLSA-N 1 3 268.361 -0.901 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000564989224 354724323 /nfs/dbraw/zinc/72/43/23/354724323.db2.gz BYUNEPVPAYDTAU-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000564989874 354724668 /nfs/dbraw/zinc/72/46/68/354724668.db2.gz WABYEXPAIRKBOP-QWRGUYRKSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000564989872 354724981 /nfs/dbraw/zinc/72/49/81/354724981.db2.gz WABYEXPAIRKBOP-GHMZBOCLSA-N 1 3 271.361 -0.323 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000565040793 354726337 /nfs/dbraw/zinc/72/63/37/354726337.db2.gz XVWFWDALVORDQE-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000565775558 354745980 /nfs/dbraw/zinc/74/59/80/354745980.db2.gz YTRUONQMNOXDFZ-GHMZBOCLSA-N 1 3 274.386 -0.205 20 0 CBADHO CN1CCC[C@@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898284 354748756 /nfs/dbraw/zinc/74/87/56/354748756.db2.gz ZODJBQOZWUCBAJ-CQSZACIVSA-N 1 3 280.372 -0.044 20 0 CBADHO CN1CCC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898284 354748758 /nfs/dbraw/zinc/74/87/58/354748758.db2.gz ZODJBQOZWUCBAJ-CQSZACIVSA-N 1 3 280.372 -0.044 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000565962273 354749595 /nfs/dbraw/zinc/74/95/95/354749595.db2.gz YYAUXGDNXAUDJR-STQMWFEESA-N 1 3 270.421 -0.016 20 0 CBADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000566000198 354749818 /nfs/dbraw/zinc/74/98/18/354749818.db2.gz KEQGOVDXGWBBDA-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566189640 354755875 /nfs/dbraw/zinc/75/58/75/354755875.db2.gz RVKIKOBZVMJKQT-IJLUTSLNSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000566212819 354757265 /nfs/dbraw/zinc/75/72/65/354757265.db2.gz WPVCXBBMJRTZMD-KGLIPLIRSA-N 1 3 276.384 -0.251 20 0 CBADHO [NH3+]CCCn1cc(C(=O)N[C@H]2CNCCC2(F)F)nn1 ZINC000566213615 354757323 /nfs/dbraw/zinc/75/73/23/354757323.db2.gz YFMJZUGPZPQSFC-VIFPVBQESA-N 1 3 288.302 -0.646 20 0 CBADHO CCN1CCN(CCC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000566289871 354761764 /nfs/dbraw/zinc/76/17/64/354761764.db2.gz KHEABVDQCONOPI-CQSZACIVSA-N 1 3 297.447 -0.885 20 0 CBADHO CCN1CCN(CCC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000566289869 354761828 /nfs/dbraw/zinc/76/18/28/354761828.db2.gz KHEABVDQCONOPI-AWEZNQCLSA-N 1 3 297.447 -0.885 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000566511032 354770127 /nfs/dbraw/zinc/77/01/27/354770127.db2.gz GZFXFWUWQVHGEE-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CO[C@H](CN)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000567604784 354791728 /nfs/dbraw/zinc/79/17/28/354791728.db2.gz BRQIDQDQXGNRAM-JOYOIKCWSA-N 1 3 264.329 -0.190 20 0 CBADHO C[NH2+][C@@H]1CCCN(C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000566619908 354771787 /nfs/dbraw/zinc/77/17/87/354771787.db2.gz IQEIFDBWFUOAIJ-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)CCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000567267308 354784934 /nfs/dbraw/zinc/78/49/34/354784934.db2.gz ZNIVDDMIQYHAGI-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000567297818 354785895 /nfs/dbraw/zinc/78/58/95/354785895.db2.gz ZMAARGUVZCRSMC-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000567368586 354786690 /nfs/dbraw/zinc/78/66/90/354786690.db2.gz BGLKDEYKJKMJDT-OLZOCXBDSA-N 1 3 283.420 -0.469 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC2CC[NH2+]CC2)CC1=O ZINC000567504581 354789723 /nfs/dbraw/zinc/78/97/23/354789723.db2.gz UVGJMTNSWIWRDI-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC2CC[NH2+]CC2)CC1=O ZINC000567504582 354789855 /nfs/dbraw/zinc/78/98/55/354789855.db2.gz UVGJMTNSWIWRDI-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000565419868 354737857 /nfs/dbraw/zinc/73/78/57/354737857.db2.gz IIEYEXMLYKRTIE-FZMZJTMJSA-N 1 3 284.404 -0.183 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCOCCN(C)C ZINC000565420710 354737972 /nfs/dbraw/zinc/73/79/72/354737972.db2.gz NIMHGMJDACMPNZ-MNOVXSKESA-N 1 3 260.382 -0.010 20 0 CBADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000565419870 354738184 /nfs/dbraw/zinc/73/81/84/354738184.db2.gz IIEYEXMLYKRTIE-SMDDNHRTSA-N 1 3 284.404 -0.183 20 0 CBADHO C[C@H]([NH2+]CCC(=O)NC(N)=O)C1=CCN(C)CC1 ZINC000565416690 354738246 /nfs/dbraw/zinc/73/82/46/354738246.db2.gz BDSHLPACPSXSEV-VIFPVBQESA-N 1 3 254.334 -0.189 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000567817054 354798853 /nfs/dbraw/zinc/79/88/53/354798853.db2.gz GPAOAZGBDKPJAO-VXGBXAGGSA-N 1 3 286.445 -0.427 20 0 CBADHO [NH3+]C[C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000567834877 354799827 /nfs/dbraw/zinc/79/98/27/354799827.db2.gz OKQIWVWOZPTERC-NEPJUHHUSA-N 1 3 255.362 -0.048 20 0 CBADHO [NH3+]C[C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000567834879 354800057 /nfs/dbraw/zinc/80/00/57/354800057.db2.gz OKQIWVWOZPTERC-RYUDHWBXSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000567880063 354802753 /nfs/dbraw/zinc/80/27/53/354802753.db2.gz AYQXOECRBOQTDD-BJDJZHNGSA-N 1 3 284.404 -0.173 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@](C)(C[NH3+])C2)CC1 ZINC000567889713 354803286 /nfs/dbraw/zinc/80/32/86/354803286.db2.gz LZMOKDREFHEORF-CQSZACIVSA-N 1 3 268.405 -0.179 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@](C)(CN)C2)CC1 ZINC000567889713 354803290 /nfs/dbraw/zinc/80/32/90/354803290.db2.gz LZMOKDREFHEORF-CQSZACIVSA-N 1 3 268.405 -0.179 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CC[C@](C)(CN)C2)CC1 ZINC000567889713 354803295 /nfs/dbraw/zinc/80/32/95/354803295.db2.gz LZMOKDREFHEORF-CQSZACIVSA-N 1 3 268.405 -0.179 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000567908167 354804210 /nfs/dbraw/zinc/80/42/10/354804210.db2.gz ZEKKIZCVOBPBKU-UMNHJUIQSA-N 1 3 270.377 -0.718 20 0 CBADHO C[NH2+]CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000567982935 354806844 /nfs/dbraw/zinc/80/68/44/354806844.db2.gz BDZTVLODDPMNRU-UHFFFAOYSA-N 1 3 263.345 -0.009 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](CO)C1CCOCC1 ZINC000568166735 354813474 /nfs/dbraw/zinc/81/34/74/354813474.db2.gz RPOZAGVCACTOOQ-STQMWFEESA-N 1 3 260.378 -0.324 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](CO)C1CCOCC1 ZINC000568166735 354813476 /nfs/dbraw/zinc/81/34/76/354813476.db2.gz RPOZAGVCACTOOQ-STQMWFEESA-N 1 3 260.378 -0.324 20 0 CBADHO CN(CCC[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000568287763 354820438 /nfs/dbraw/zinc/82/04/38/354820438.db2.gz JMKVQVDZPYWWPP-QMMMGPOBSA-N 1 3 250.293 -0.026 20 0 CBADHO COC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000567689080 354793506 /nfs/dbraw/zinc/79/35/06/354793506.db2.gz BWXZTYXXRJJXRS-HZSPNIEDSA-N 1 3 272.389 -0.039 20 0 CBADHO NC(=O)CC[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000570710416 354867944 /nfs/dbraw/zinc/86/79/44/354867944.db2.gz ZIMSVMQREWDJIR-JTQLQIEISA-N 1 3 256.350 -0.961 20 0 CBADHO NC(=O)CCNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000570710416 354867948 /nfs/dbraw/zinc/86/79/48/354867948.db2.gz ZIMSVMQREWDJIR-JTQLQIEISA-N 1 3 256.350 -0.961 20 0 CBADHO NC(=O)CCNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000570710416 354867952 /nfs/dbraw/zinc/86/79/52/354867952.db2.gz ZIMSVMQREWDJIR-JTQLQIEISA-N 1 3 256.350 -0.961 20 0 CBADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCCC1 ZINC000570926304 354872580 /nfs/dbraw/zinc/87/25/80/354872580.db2.gz UMBGBGSFIDIWCL-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO COCCN(CCN(C)C)C(=O)C[C@H](C[NH3+])OC ZINC000570928338 354872847 /nfs/dbraw/zinc/87/28/47/354872847.db2.gz FCJORHFGTNLUIY-LLVKDONJSA-N 1 3 261.366 -0.613 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000571678450 354877898 /nfs/dbraw/zinc/87/78/98/354877898.db2.gz RCCQXWDGFWQZLN-AEJSXWLSSA-N 1 3 257.334 -0.524 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000570515140 354864067 /nfs/dbraw/zinc/86/40/67/354864067.db2.gz HHVZQHQUUKRQKZ-QWRGUYRKSA-N 1 3 271.361 -0.181 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570578387 354865135 /nfs/dbraw/zinc/86/51/35/354865135.db2.gz JAEMZPCRPDWVOB-QRJNDHJOSA-N 1 3 296.415 -0.184 20 0 CBADHO O[C@@H]1COCCN(CCCC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000572031156 354885308 /nfs/dbraw/zinc/88/53/08/354885308.db2.gz DAKYJKMATNOUGX-KBPBESRZSA-N 1 3 288.388 -0.847 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572736048 354896801 /nfs/dbraw/zinc/89/68/01/354896801.db2.gz IORUWRVNXCEJRE-RNJOBUHISA-N 1 3 294.399 -0.370 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572736048 354896804 /nfs/dbraw/zinc/89/68/04/354896804.db2.gz IORUWRVNXCEJRE-RNJOBUHISA-N 1 3 294.399 -0.370 20 0 CBADHO C(CN1CC[NH2+]CC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000573124006 354906321 /nfs/dbraw/zinc/90/63/21/354906321.db2.gz ROJPWFGDTYRDOI-OAHLLOKOSA-N 1 3 282.432 -0.312 20 0 CBADHO C[C@@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000573561276 354915019 /nfs/dbraw/zinc/91/50/19/354915019.db2.gz BZWZKONGTVGQEZ-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000573719108 354919577 /nfs/dbraw/zinc/91/95/77/354919577.db2.gz SUSPPDJHNYFQMV-CYBMUJFWSA-N 1 3 253.346 -0.423 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573801265 354921580 /nfs/dbraw/zinc/92/15/80/354921580.db2.gz XCDOUHMLBUXHEU-BJDJZHNGSA-N 1 3 283.372 -0.147 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000573819657 354921600 /nfs/dbraw/zinc/92/16/00/354921600.db2.gz CHUHKXMBTDSTNN-VXGBXAGGSA-N 1 3 269.393 -0.717 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000573819655 354921702 /nfs/dbraw/zinc/92/17/02/354921702.db2.gz CHUHKXMBTDSTNN-NWDGAFQWSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551968 354949756 /nfs/dbraw/zinc/94/97/56/354949756.db2.gz UBLNXDRFEPPEFZ-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(C)CC1 ZINC000579370331 354968690 /nfs/dbraw/zinc/96/86/90/354968690.db2.gz FSQNLESYHYTTOD-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO CCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579445823 354970331 /nfs/dbraw/zinc/97/03/31/354970331.db2.gz KEOHAXVGJXDFED-UHFFFAOYSA-N 1 3 272.393 -0.584 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692528 354977002 /nfs/dbraw/zinc/97/70/02/354977002.db2.gz GAGOHXHEUXZHLD-PWSUYJOCSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692528 354977004 /nfs/dbraw/zinc/97/70/04/354977004.db2.gz GAGOHXHEUXZHLD-PWSUYJOCSA-N 1 3 280.372 -0.983 20 0 CBADHO C[C@H](CCNC(=O)C(=O)NC1CNC1)[NH+]1CCCCC1 ZINC000579692191 354977046 /nfs/dbraw/zinc/97/70/46/354977046.db2.gz MHZREDRIFSEKNP-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000579710540 354978158 /nfs/dbraw/zinc/97/81/58/354978158.db2.gz JWSKPVPWAWXOMO-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCN(C)C ZINC000579837487 354980911 /nfs/dbraw/zinc/98/09/11/354980911.db2.gz FNOWHRBIGLXMLE-VHSXEESVSA-N 1 3 258.366 -0.752 20 0 CBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000580174233 354988628 /nfs/dbraw/zinc/98/86/28/354988628.db2.gz XLHUTUPBXDANQI-RYUDHWBXSA-N 1 3 280.372 -0.854 20 0 CBADHO COC(=O)CN(C)C(=O)CCN(C)C1CC[NH2+]CC1 ZINC000580196629 354989620 /nfs/dbraw/zinc/98/96/20/354989620.db2.gz VOVVXKVRQZONLU-UHFFFAOYSA-N 1 3 271.361 -0.308 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+](C)C1CCNCC1 ZINC000580196629 354989623 /nfs/dbraw/zinc/98/96/23/354989623.db2.gz VOVVXKVRQZONLU-UHFFFAOYSA-N 1 3 271.361 -0.308 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+](C)C1CCNCC1 ZINC000580196629 354989628 /nfs/dbraw/zinc/98/96/28/354989628.db2.gz VOVVXKVRQZONLU-UHFFFAOYSA-N 1 3 271.361 -0.308 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214134 354990906 /nfs/dbraw/zinc/99/09/06/354990906.db2.gz LIIPCVHFLXKQMK-NWJSVONSSA-N 1 3 292.383 -0.854 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214135 354991016 /nfs/dbraw/zinc/99/10/16/354991016.db2.gz LIIPCVHFLXKQMK-OXJKWZBOSA-N 1 3 292.383 -0.854 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580323473 354993672 /nfs/dbraw/zinc/99/36/72/354993672.db2.gz ZYCFCOIBMYIKAG-KGLIPLIRSA-N 1 3 298.431 -0.411 20 0 CBADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740423 354996479 /nfs/dbraw/zinc/99/64/79/354996479.db2.gz NSUNMYUZTNGIMY-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN1CCN(CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000584527160 355030839 /nfs/dbraw/zinc/03/08/39/355030839.db2.gz XCIDCQMQDHPERX-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+](CC)CC ZINC000582073418 355007740 /nfs/dbraw/zinc/00/77/40/355007740.db2.gz CYCLILNOYQRRDE-RWMBFGLXSA-N 1 3 296.415 -0.123 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582253000 355013116 /nfs/dbraw/zinc/01/31/16/355013116.db2.gz YQXKOVDHARHQKQ-RYUDHWBXSA-N 1 3 292.383 -0.615 20 0 CBADHO COC[C@](C)(O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000583495415 355018269 /nfs/dbraw/zinc/01/82/69/355018269.db2.gz DJLQNVDCKFJQKA-CHWSQXEVSA-N 1 3 260.378 -0.181 20 0 CBADHO COC[C@](C)(O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583495415 355018271 /nfs/dbraw/zinc/01/82/71/355018271.db2.gz DJLQNVDCKFJQKA-CHWSQXEVSA-N 1 3 260.378 -0.181 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000583565402 355020158 /nfs/dbraw/zinc/02/01/58/355020158.db2.gz KFCQDXKIJQYSLK-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583563496 355020356 /nfs/dbraw/zinc/02/03/56/355020356.db2.gz ATAJCKARQBCWCU-NXEZZACHSA-N 1 3 293.375 -0.459 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000583565405 355020542 /nfs/dbraw/zinc/02/05/42/355020542.db2.gz KFCQDXKIJQYSLK-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO N[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870664 355023474 /nfs/dbraw/zinc/02/34/74/355023474.db2.gz JYIUVKQWSSYJOD-OLZOCXBDSA-N 1 3 290.367 -0.329 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000583997104 355027066 /nfs/dbraw/zinc/02/70/66/355027066.db2.gz UDLBHSADFDSIOE-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO COCCNCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592540659 355159886 /nfs/dbraw/zinc/15/98/86/355159886.db2.gz DNBMLXNDFUOPKJ-NSHDSACASA-N 1 3 295.387 -0.315 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135922 355133549 /nfs/dbraw/zinc/13/35/49/355133549.db2.gz YKNUGSXOLJMUBO-NEPJUHHUSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135922 355133552 /nfs/dbraw/zinc/13/35/52/355133552.db2.gz YKNUGSXOLJMUBO-NEPJUHHUSA-N 1 3 283.372 -0.133 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242190 355145685 /nfs/dbraw/zinc/14/56/85/355145685.db2.gz QHJKGTMYTRNAJZ-WDEREUQCSA-N 1 3 271.361 -0.277 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592307856 355147181 /nfs/dbraw/zinc/14/71/81/355147181.db2.gz JULJATJYIOAYPL-KXUCPTDWSA-N 1 3 261.391 -0.359 20 0 CBADHO NC(=O)NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000592471223 355155505 /nfs/dbraw/zinc/15/55/05/355155505.db2.gz MVULVTQTRBDGAW-UHFFFAOYSA-N 1 3 254.334 -0.212 20 0 CBADHO NC(=O)NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000592471223 355155509 /nfs/dbraw/zinc/15/55/09/355155509.db2.gz MVULVTQTRBDGAW-UHFFFAOYSA-N 1 3 254.334 -0.212 20 0 CBADHO NC(=O)NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000592471223 355155513 /nfs/dbraw/zinc/15/55/13/355155513.db2.gz MVULVTQTRBDGAW-UHFFFAOYSA-N 1 3 254.334 -0.212 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000592473458 355156280 /nfs/dbraw/zinc/15/62/80/355156280.db2.gz OWVGIVHUSPZHBK-VIFPVBQESA-N 1 3 257.334 -0.523 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593911952 355229040 /nfs/dbraw/zinc/22/90/40/355229040.db2.gz KNRMUKUPSUIGGU-WDMOLILDSA-N 1 3 283.372 -0.146 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CCC(=O)OC)C[C@H]1C[NH3+] ZINC000593916500 355230139 /nfs/dbraw/zinc/23/01/39/355230139.db2.gz LUQKVEWTTBIKGP-OUAUKWLOSA-N 1 3 287.360 -0.911 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000594880429 355267835 /nfs/dbraw/zinc/26/78/35/355267835.db2.gz MNRBRGSKCFSAES-WHOHXGKFSA-N 1 3 280.372 -0.868 20 0 CBADHO CCC(CC)(C[NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594879698 355268029 /nfs/dbraw/zinc/26/80/29/355268029.db2.gz JUABFKROHFQQMV-GHMZBOCLSA-N 1 3 282.388 -0.478 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419414011 295901985 /nfs/dbraw/zinc/90/19/85/295901985.db2.gz DRXCLXIJBLMPJC-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO NC(=O)NC(=O)CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595868549 355312357 /nfs/dbraw/zinc/31/23/57/355312357.db2.gz PUDNUUKDCRTFRL-GFCCVEGCSA-N 1 3 298.387 -0.508 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000595944526 355324032 /nfs/dbraw/zinc/32/40/32/355324032.db2.gz MDEGUYFSPSDXFE-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000595944526 355324035 /nfs/dbraw/zinc/32/40/35/355324035.db2.gz MDEGUYFSPSDXFE-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971831 355331493 /nfs/dbraw/zinc/33/14/93/355331493.db2.gz SKYPGRWKMWGNNJ-GHMZBOCLSA-N 1 3 292.383 -0.582 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000595264544 355276258 /nfs/dbraw/zinc/27/62/58/355276258.db2.gz BNNJQJHDANKRKU-IJLUTSLNSA-N 1 3 295.387 -0.918 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000596102361 355344291 /nfs/dbraw/zinc/34/42/91/355344291.db2.gz AKMLUKBMBUDTFL-MDZLAQPJSA-N 1 3 253.346 -0.567 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000420312009 291066187 /nfs/dbraw/zinc/06/61/87/291066187.db2.gz HNDHMEXANOBMEY-QWRGUYRKSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000420312009 291066188 /nfs/dbraw/zinc/06/61/88/291066188.db2.gz HNDHMEXANOBMEY-QWRGUYRKSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420312009 291066190 /nfs/dbraw/zinc/06/61/90/291066190.db2.gz HNDHMEXANOBMEY-QWRGUYRKSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598667492 355449234 /nfs/dbraw/zinc/44/92/34/355449234.db2.gz JBSLCOQDETVYSF-OUJBWJOFSA-N 1 3 269.345 -0.393 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000599936619 355520373 /nfs/dbraw/zinc/52/03/73/355520373.db2.gz YICVVANITBOGQS-TUAOUCFPSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000599936619 355520376 /nfs/dbraw/zinc/52/03/76/355520376.db2.gz YICVVANITBOGQS-TUAOUCFPSA-N 1 3 295.387 -0.966 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](N)C[C@H]1C ZINC000601330565 355587516 /nfs/dbraw/zinc/58/75/16/355587516.db2.gz UVSHUIHJFPSLSD-ZJUUUORDSA-N 1 3 257.334 -0.571 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](N)C[C@H]1C ZINC000601330565 355587520 /nfs/dbraw/zinc/58/75/20/355587520.db2.gz UVSHUIHJFPSLSD-ZJUUUORDSA-N 1 3 257.334 -0.571 20 0 CBADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000602522672 355656427 /nfs/dbraw/zinc/65/64/27/355656427.db2.gz FVDJWXVTPYNERD-GRYCIOLGSA-N 1 3 282.388 -0.480 20 0 CBADHO C[N@H+](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CC(C)(C)C ZINC000602523804 355657298 /nfs/dbraw/zinc/65/72/98/355657298.db2.gz IGEGCZURTXTLRE-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO C[N@@H+](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CC(C)(C)C ZINC000602523804 355657300 /nfs/dbraw/zinc/65/73/00/355657300.db2.gz IGEGCZURTXTLRE-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@@H+]1C ZINC000602525150 355657586 /nfs/dbraw/zinc/65/75/86/355657586.db2.gz MYIGENHSSFIGML-WUHRBBMRSA-N 1 3 294.399 -0.513 20 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ZINC000603435226 355716103 /nfs/dbraw/zinc/71/61/03/355716103.db2.gz WCBUYXUNQJTFHW-VHSXEESVSA-N 1 3 271.361 -0.277 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602875810 355679458 /nfs/dbraw/zinc/67/94/58/355679458.db2.gz APULOSVSEOICSQ-SNVBAGLBSA-N 1 3 268.361 -0.013 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974514 355858695 /nfs/dbraw/zinc/85/86/95/355858695.db2.gz HRXPMVSACLVHCD-YPMHNXCESA-N 1 3 284.404 -0.260 20 0 CBADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000612993766 355860084 /nfs/dbraw/zinc/86/00/84/355860084.db2.gz FJBFVGRZADSIRA-YNEHKIRRSA-N 1 3 294.399 -0.411 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000617504014 356139285 /nfs/dbraw/zinc/13/92/85/356139285.db2.gz FDTMABODHBWTHP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000617504014 356139289 /nfs/dbraw/zinc/13/92/89/356139289.db2.gz FDTMABODHBWTHP-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CC(=O)N1 ZINC000617503352 356139313 /nfs/dbraw/zinc/13/93/13/356139313.db2.gz FVWWNPOCQKVJET-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CC(=O)N1 ZINC000617503352 356139317 /nfs/dbraw/zinc/13/93/17/356139317.db2.gz FVWWNPOCQKVJET-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO COC[C@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506697 356139465 /nfs/dbraw/zinc/13/94/65/356139465.db2.gz WLTPAERYEPKDSY-JSGCOSHPSA-N 1 3 289.420 -0.228 20 0 CBADHO COC[C@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506697 356139468 /nfs/dbraw/zinc/13/94/68/356139468.db2.gz WLTPAERYEPKDSY-JSGCOSHPSA-N 1 3 289.420 -0.228 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cncn1 ZINC000617505030 356139756 /nfs/dbraw/zinc/13/97/56/356139756.db2.gz UDDKLQLTBYIWRE-LBPRGKRZSA-N 1 3 282.392 -0.334 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cncn1 ZINC000617505030 356139759 /nfs/dbraw/zinc/13/97/59/356139759.db2.gz UDDKLQLTBYIWRE-LBPRGKRZSA-N 1 3 282.392 -0.334 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCNC1=O ZINC000617502377 356139834 /nfs/dbraw/zinc/13/98/34/356139834.db2.gz NDDXLZLSOSWDMP-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCNC1=O ZINC000617502377 356139838 /nfs/dbraw/zinc/13/98/38/356139838.db2.gz NDDXLZLSOSWDMP-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504020 356140033 /nfs/dbraw/zinc/14/00/33/356140033.db2.gz FMENJTOGOGXHFZ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504020 356140035 /nfs/dbraw/zinc/14/00/35/356140035.db2.gz FMENJTOGOGXHFZ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@H](CC(N)=O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508230 356140470 /nfs/dbraw/zinc/14/04/70/356140470.db2.gz YUPYTECDWOIJJK-NEPJUHHUSA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@H](CC(N)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508230 356140471 /nfs/dbraw/zinc/14/04/71/356140471.db2.gz YUPYTECDWOIJJK-NEPJUHHUSA-N 1 3 286.420 -0.114 20 0 CBADHO CCN(C(=O)[C@H]1CN2CCN1CCC2)[C@H]1CC[N@H+](C)C1 ZINC000617553681 356142311 /nfs/dbraw/zinc/14/23/11/356142311.db2.gz NXZJSFVEYOIWHC-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CCN(C(=O)[C@H]1CN2CCN1CCC2)[C@H]1CC[N@@H+](C)C1 ZINC000617553681 356142315 /nfs/dbraw/zinc/14/23/15/356142315.db2.gz NXZJSFVEYOIWHC-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000621624747 356278159 /nfs/dbraw/zinc/27/81/59/356278159.db2.gz WASYUAJZYYOIEN-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC000621669603 356279949 /nfs/dbraw/zinc/27/99/49/356279949.db2.gz QNIHMCYHOWOFSB-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCOC1CNC1)C2 ZINC000621684512 356280370 /nfs/dbraw/zinc/28/03/70/356280370.db2.gz NKECBLQOSZFCIW-ZWNOBZJWSA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+][C@@]12CCC[C@H]1CN(CCC(=O)N1CCNCC1)C2 ZINC000621784306 356284406 /nfs/dbraw/zinc/28/44/06/356284406.db2.gz MTNPEGMWXYHPTC-GXTWGEPZSA-N 1 3 266.389 -0.379 20 0 CBADHO CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621838101 356289079 /nfs/dbraw/zinc/28/90/79/356289079.db2.gz XNIYMTADMPNFPC-NHYWBVRUSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H](CNc1nc(N)nc(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000623845486 356378841 /nfs/dbraw/zinc/37/88/41/356378841.db2.gz FZVCOKSGDDNNHG-SNVBAGLBSA-N 1 3 299.382 -0.023 20 0 CBADHO C[C@H](CNc1nc(N)nc(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000623845486 356378844 /nfs/dbraw/zinc/37/88/44/356378844.db2.gz FZVCOKSGDDNNHG-SNVBAGLBSA-N 1 3 299.382 -0.023 20 0 CBADHO CC(C)[NH2+]C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623932587 356383615 /nfs/dbraw/zinc/38/36/15/356383615.db2.gz UQCAFRIAJFTOGD-UHFFFAOYSA-N 1 3 251.338 -0.336 20 0 CBADHO C[C@@H](Nc1nc(N)nc(N)n1)C(C)(C)C[NH+](C)C ZINC000623994240 356386890 /nfs/dbraw/zinc/38/68/90/356386890.db2.gz SZJGEXDIMILSAQ-SSDOTTSWSA-N 1 3 253.354 -0.493 20 0 CBADHO Nc1nc(N)nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000623981582 356386933 /nfs/dbraw/zinc/38/69/33/356386933.db2.gz KDMLUCVRZGGZRD-VIFPVBQESA-N 1 3 293.375 -0.969 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000624041340 356391608 /nfs/dbraw/zinc/39/16/08/356391608.db2.gz QVLGEOHPLKISNG-BDAKNGLRSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000624041340 356391609 /nfs/dbraw/zinc/39/16/09/356391609.db2.gz QVLGEOHPLKISNG-BDAKNGLRSA-N 1 3 263.349 -0.383 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000624157998 356400756 /nfs/dbraw/zinc/40/07/56/356400756.db2.gz JCNZAPQFAMOOGE-MRVPVSSYSA-N 1 3 251.338 -0.383 20 0 CBADHO Nc1nc(N)nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624411318 356420606 /nfs/dbraw/zinc/42/06/06/356420606.db2.gz DTWOFSHDIRNGTR-JTQLQIEISA-N 1 3 277.376 -0.347 20 0 CBADHO Nc1nc(N)nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624411318 356420611 /nfs/dbraw/zinc/42/06/11/356420611.db2.gz DTWOFSHDIRNGTR-JTQLQIEISA-N 1 3 277.376 -0.347 20 0 CBADHO Nc1nc(N)nc(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000624260443 356408855 /nfs/dbraw/zinc/40/88/55/356408855.db2.gz NJMSAIUJCSGDBB-UHFFFAOYSA-N 1 3 263.349 -0.453 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419758450 283165799 /nfs/dbraw/zinc/16/57/99/283165799.db2.gz FAJVWEGIKVJTCX-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419758450 283165800 /nfs/dbraw/zinc/16/58/00/283165800.db2.gz FAJVWEGIKVJTCX-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CN(C)CCn1nccc1NC(=O)NCCOCCC[NH3+] ZINC000625891441 356496990 /nfs/dbraw/zinc/49/69/90/356496990.db2.gz ZBDQXYMIBRZPFZ-UHFFFAOYSA-N 1 3 298.391 -0.068 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626975527 356561718 /nfs/dbraw/zinc/56/17/18/356561718.db2.gz VYUIRUOMNXIYRL-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO CN(C)CCOCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627019102 356568291 /nfs/dbraw/zinc/56/82/91/356568291.db2.gz QAWWTGDHVNFWCN-UHFFFAOYSA-N 1 3 288.392 -0.628 20 0 CBADHO C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)N(C)C ZINC000627051774 356569971 /nfs/dbraw/zinc/56/99/71/356569971.db2.gz FWOGRURTBOJMBS-JTQLQIEISA-N 1 3 258.366 -0.256 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000626982958 356563085 /nfs/dbraw/zinc/56/30/85/356563085.db2.gz XJQWQXRIPOZEAQ-GHMZBOCLSA-N 1 3 256.350 -0.632 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147505 356588637 /nfs/dbraw/zinc/58/86/37/356588637.db2.gz JUBCMLYNQOQPHQ-WDEREUQCSA-N 1 3 270.377 -0.114 20 0 CBADHO C[NH2+]CCOCCNC(=O)NCC1=CCN(C)CC1 ZINC000627173656 356593998 /nfs/dbraw/zinc/59/39/98/356593998.db2.gz CLPGPWXWEMRYQH-UHFFFAOYSA-N 1 3 270.377 -0.217 20 0 CBADHO [NH3+]CCCOCCNC(=O)N1CCN2CCC1CC2 ZINC000627218354 356608131 /nfs/dbraw/zinc/60/81/31/356608131.db2.gz RJAWVGWUUCIGKI-UHFFFAOYSA-N 1 3 270.377 -0.159 20 0 CBADHO C[C@@H]1NCCN(C(=O)NCCOCCC[NH3+])[C@H]1C ZINC000627219651 356608603 /nfs/dbraw/zinc/60/86/03/356608603.db2.gz ZVRKPVFRQIBQAS-QWRGUYRKSA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CCN(C)C ZINC000627239278 356609334 /nfs/dbraw/zinc/60/93/34/356609334.db2.gz FUKHYPHATQBAMR-QWHCGFSZSA-N 1 3 285.436 -0.128 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627226508 356609863 /nfs/dbraw/zinc/60/98/63/356609863.db2.gz MJIROZUILFDCIQ-NWDGAFQWSA-N 1 3 270.377 -0.160 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249842 356613019 /nfs/dbraw/zinc/61/30/19/356613019.db2.gz IIHPNLRIVNJHIW-CYBMUJFWSA-N 1 3 283.420 -0.373 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)N2CCOC3(CNC3)C2)C[NH2+]1 ZINC000627210987 356605957 /nfs/dbraw/zinc/60/59/57/356605957.db2.gz YUORTGATFPCLRQ-WDEREUQCSA-N 1 3 268.361 -0.489 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210903 356606102 /nfs/dbraw/zinc/60/61/02/356606102.db2.gz XNEXIRVCYPSOJE-QNWHQSFQSA-N 1 3 282.388 -0.413 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000627352609 356631036 /nfs/dbraw/zinc/63/10/36/356631036.db2.gz BYIDHNWCKCBJKL-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN(CC)C1CC1 ZINC000627364937 356632316 /nfs/dbraw/zinc/63/23/16/356632316.db2.gz ARMSZQDLURAFNM-QWHCGFSZSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000627372884 356634999 /nfs/dbraw/zinc/63/49/99/356634999.db2.gz ZHTKTGXSQWGNLR-WCFLWFBJSA-N 1 3 296.415 -0.158 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000627290291 356621202 /nfs/dbraw/zinc/62/12/02/356621202.db2.gz LERGRYHLOXHIPH-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000627302686 356622432 /nfs/dbraw/zinc/62/24/32/356622432.db2.gz VSPZWUJDFIASJQ-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000627421491 356643715 /nfs/dbraw/zinc/64/37/15/356643715.db2.gz LGQRMFHLBCLMBG-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425239 356644851 /nfs/dbraw/zinc/64/48/51/356644851.db2.gz IZEVYQFQXKHYLK-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627429020 356645264 /nfs/dbraw/zinc/64/52/64/356645264.db2.gz VCSSHZDDGUWGMN-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627428961 356645786 /nfs/dbraw/zinc/64/57/86/356645786.db2.gz TWGPGXVXDZJOKC-AGIUHOORSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627378972 356636322 /nfs/dbraw/zinc/63/63/22/356636322.db2.gz ZHRBWTVMSQSPEM-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627378972 356636326 /nfs/dbraw/zinc/63/63/26/356636326.db2.gz ZHRBWTVMSQSPEM-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[NH2+]1 ZINC000627477419 356653609 /nfs/dbraw/zinc/65/36/09/356653609.db2.gz VMSNZTWVRHHRPZ-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000627501425 356658781 /nfs/dbraw/zinc/65/87/81/356658781.db2.gz JUGQVPVFVAKTHR-QNWHQSFQSA-N 1 3 294.399 -0.452 20 0 CBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504265 356660079 /nfs/dbraw/zinc/66/00/79/356660079.db2.gz FYGOPRUOYFEYIN-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCS(=O)(=O)C[C@@H](C)NCCOCCC[NH3+] ZINC000629538165 356777396 /nfs/dbraw/zinc/77/73/96/356777396.db2.gz MTBCMDHZVBSRET-SNVBAGLBSA-N 1 3 252.380 -0.235 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN1CC[C@@H](O)C1 ZINC000629173112 356752490 /nfs/dbraw/zinc/75/24/90/356752490.db2.gz DATGKJAMNWYJRC-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO C[C@H](CN1CCN(C)CC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629560367 356780005 /nfs/dbraw/zinc/78/00/05/356780005.db2.gz LUXRITSGVHPACX-HUUCEWRRSA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629560367 356780008 /nfs/dbraw/zinc/78/00/08/356780008.db2.gz LUXRITSGVHPACX-HUUCEWRRSA-N 1 3 284.448 -0.331 20 0 CBADHO C[NH2+]CCOCCN(C)CCC(=O)N1CCN(C)CC1 ZINC000629572460 356780798 /nfs/dbraw/zinc/78/07/98/356780798.db2.gz UAHGLJICFWWTFF-UHFFFAOYSA-N 1 3 286.420 -0.682 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629801583 356796628 /nfs/dbraw/zinc/79/66/28/356796628.db2.gz AUBGGPMPBHYBSM-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000629801583 356796629 /nfs/dbraw/zinc/79/66/29/356796629.db2.gz AUBGGPMPBHYBSM-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CN(CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CCC1 ZINC000629993518 356814785 /nfs/dbraw/zinc/81/47/85/356814785.db2.gz DAXRIDFTCAVJRN-RYUDHWBXSA-N 1 3 255.362 -0.396 20 0 CBADHO CN(CCOCC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000629579039 356783097 /nfs/dbraw/zinc/78/30/97/356783097.db2.gz PAHNHONXXWBDMC-UHFFFAOYSA-N 1 3 272.349 -0.776 20 0 CBADHO OCCN1CCCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629585037 356783945 /nfs/dbraw/zinc/78/39/45/356783945.db2.gz YKCIRKOJKCHCDY-LSDHHAIUSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629585037 356783950 /nfs/dbraw/zinc/78/39/50/356783950.db2.gz YKCIRKOJKCHCDY-LSDHHAIUSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584409 356784081 /nfs/dbraw/zinc/78/40/81/356784081.db2.gz QJERRWPHOFJNQC-CABCVRRESA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629584409 356784083 /nfs/dbraw/zinc/78/40/83/356784083.db2.gz QJERRWPHOFJNQC-CABCVRRESA-N 1 3 285.432 -0.121 20 0 CBADHO OC[C@@H](CN1CCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596051 356785027 /nfs/dbraw/zinc/78/50/27/356785027.db2.gz QTTNURBNPXSDSH-ZIAGYGMSSA-N 1 3 271.405 -0.511 20 0 CBADHO O[C@H](C[NH2+]CCN1CC[C@@H](O)C1)CN1CCCC1 ZINC000629606762 356786059 /nfs/dbraw/zinc/78/60/59/356786059.db2.gz MHMUBMLGJGHFEO-CHWSQXEVSA-N 1 3 257.378 -0.901 20 0 CBADHO CO[C@@H]1CN(S(=O)(=O)CCCN(C)C)[C@](C)(C[NH3+])C1 ZINC000630369255 356839687 /nfs/dbraw/zinc/83/96/87/356839687.db2.gz WEWMQBAVIBLYEB-RYUDHWBXSA-N 1 3 293.433 -0.294 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@H](N)CC(F)F)[C@](C)(C[NH3+])C1 ZINC000630373482 356840387 /nfs/dbraw/zinc/84/03/87/356840387.db2.gz KGSPWAYVQFIZDN-RNSXUZJQSA-N 1 3 265.304 -0.066 20 0 CBADHO CCN1CCC(NC(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631849827 356912322 /nfs/dbraw/zinc/91/23/22/356912322.db2.gz VXEVSLOJXMLLBP-STQMWFEESA-N 1 3 266.389 -0.367 20 0 CBADHO CS(=O)(=O)N[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000631867338 356914814 /nfs/dbraw/zinc/91/48/14/356914814.db2.gz QWWJICQMYBOJLC-VXGBXAGGSA-N 1 3 275.418 0.000 20 0 CBADHO CS(=O)(=O)N[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000631867337 356914859 /nfs/dbraw/zinc/91/48/59/356914859.db2.gz QWWJICQMYBOJLC-RYUDHWBXSA-N 1 3 275.418 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631931549 356925319 /nfs/dbraw/zinc/92/53/19/356925319.db2.gz KZWDVPCDVDCIRC-NEPJUHHUSA-N 1 3 275.418 -0.048 20 0 CBADHO CN(C)CCCS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000631934622 356926868 /nfs/dbraw/zinc/92/68/68/356926868.db2.gz GAGSHMLUZSSVGI-UHFFFAOYSA-N 1 3 261.391 -0.223 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000631934749 356926993 /nfs/dbraw/zinc/92/69/93/356926993.db2.gz JNKBKJFBAPTOOS-LLVKDONJSA-N 1 3 263.407 0.000 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCCN(C)C ZINC000631935083 356927031 /nfs/dbraw/zinc/92/70/31/356927031.db2.gz PNSFWGSUDNQXCW-GHMZBOCLSA-N 1 3 263.407 -0.145 20 0 CBADHO COC[C@]1(CNS(=O)(=O)CCCN(C)C)CCC[NH2+]1 ZINC000631936998 356928170 /nfs/dbraw/zinc/92/81/70/356928170.db2.gz QOCHRSIUNPVEML-GFCCVEGCSA-N 1 3 293.433 -0.374 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000631938799 356928712 /nfs/dbraw/zinc/92/87/12/356928712.db2.gz MMNKWHXALZFHKQ-NSHDSACASA-N 1 3 275.418 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000631939321 356929043 /nfs/dbraw/zinc/92/90/43/356929043.db2.gz XMPILOOGOPRGMC-LLVKDONJSA-N 1 3 263.407 -0.063 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000631940830 356929676 /nfs/dbraw/zinc/92/96/76/356929676.db2.gz HPVQKOUKFHFEHN-NSHDSACASA-N 1 3 279.406 -0.764 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000631942454 356930570 /nfs/dbraw/zinc/93/05/70/356930570.db2.gz YDGWGVXWTXLMQY-NSHDSACASA-N 1 3 263.407 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000631949352 356931779 /nfs/dbraw/zinc/93/17/79/356931779.db2.gz DPRXVJOXLJSCCN-UHFFFAOYSA-N 1 3 251.396 -0.063 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000631951472 356932024 /nfs/dbraw/zinc/93/20/24/356932024.db2.gz IGUJUHJYZDFEDF-UHFFFAOYSA-N 1 3 261.391 -0.309 20 0 CBADHO CN(C)CCCS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000631955427 356934935 /nfs/dbraw/zinc/93/49/35/356934935.db2.gz JXAAJSOLUQGORW-UHFFFAOYSA-N 1 3 279.406 -0.635 20 0 CBADHO COCCNCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860116 357029317 /nfs/dbraw/zinc/02/93/17/357029317.db2.gz FBRHUDCIPSWYCL-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CO)CN(C)C)CC[N@@H+]1C ZINC000633072543 357039495 /nfs/dbraw/zinc/03/94/95/357039495.db2.gz PFANPNNLFFMZEZ-SDDRHHMPSA-N 1 3 257.378 -0.245 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CO)CN(C)C)CC[N@H+]1C ZINC000633072543 357039497 /nfs/dbraw/zinc/03/94/97/357039497.db2.gz PFANPNNLFFMZEZ-SDDRHHMPSA-N 1 3 257.378 -0.245 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633086298 357041468 /nfs/dbraw/zinc/04/14/68/357041468.db2.gz OWSHUFNCTFEEHF-RYUDHWBXSA-N 1 3 280.372 -0.887 20 0 CBADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095595 357044724 /nfs/dbraw/zinc/04/47/24/357044724.db2.gz XLGHTZLCOAMJGT-CYDGBPFRSA-N 1 3 294.399 -0.642 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633102491 357046042 /nfs/dbraw/zinc/04/60/42/357046042.db2.gz UMKNZAYLSJDMLG-BETUJISGSA-N 1 3 296.415 -0.252 20 0 CBADHO CN(CCN)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633106695 357047111 /nfs/dbraw/zinc/04/71/11/357047111.db2.gz KXANTVZGWNUSBC-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000633115906 357049618 /nfs/dbraw/zinc/04/96/18/357049618.db2.gz NCKUYPGNWNFTKC-NWDGAFQWSA-N 1 3 282.388 -0.511 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765502 357134142 /nfs/dbraw/zinc/13/41/42/357134142.db2.gz UZLUFNZPMCRGJV-MDZLAQPJSA-N 1 3 253.346 -0.377 20 0 CBADHO CS(=O)(=O)N1CC[C@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000634995854 357142027 /nfs/dbraw/zinc/14/20/27/357142027.db2.gz QXQZQTCRASAZOE-VOMCLLRMSA-N 1 3 273.402 -0.391 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000635001745 357142100 /nfs/dbraw/zinc/14/21/00/357142100.db2.gz CEJIVQWQJCJKAN-RWMBFGLXSA-N 1 3 266.389 -0.380 20 0 CBADHO CNS(=O)(=O)CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000635003662 357142470 /nfs/dbraw/zinc/14/24/70/357142470.db2.gz APSVRCSPMISJNS-GHMZBOCLSA-N 1 3 263.407 -0.097 20 0 CBADHO CNS(=O)(=O)CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000635003662 357142474 /nfs/dbraw/zinc/14/24/74/357142474.db2.gz APSVRCSPMISJNS-GHMZBOCLSA-N 1 3 263.407 -0.097 20 0 CBADHO C[C@@](O)(CO)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719838 357129013 /nfs/dbraw/zinc/12/90/13/357129013.db2.gz AIEJRTRGRALUPN-HOTGVXAUSA-N 1 3 294.395 -0.044 20 0 CBADHO C[C@@](O)(CO)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719838 357129016 /nfs/dbraw/zinc/12/90/16/357129016.db2.gz AIEJRTRGRALUPN-HOTGVXAUSA-N 1 3 294.395 -0.044 20 0 CBADHO CN1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635801218 357210015 /nfs/dbraw/zinc/21/00/15/357210015.db2.gz HHLNZCGMWCJLMR-AAEUAGOBSA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635801218 357210016 /nfs/dbraw/zinc/21/00/16/357210016.db2.gz HHLNZCGMWCJLMR-AAEUAGOBSA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635801220 357210317 /nfs/dbraw/zinc/21/03/17/357210317.db2.gz HHLNZCGMWCJLMR-WCQYABFASA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635801220 357210322 /nfs/dbraw/zinc/21/03/22/357210322.db2.gz HHLNZCGMWCJLMR-WCQYABFASA-N 1 3 255.362 -0.489 20 0 CBADHO CN1CCC(O)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635631689 357185230 /nfs/dbraw/zinc/18/52/30/357185230.db2.gz WTVLPFUYYXEMEU-UHFFFAOYSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636645213 357295925 /nfs/dbraw/zinc/29/59/25/357295925.db2.gz NSIRXJVMMQXLSI-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636645213 357295927 /nfs/dbraw/zinc/29/59/27/357295927.db2.gz NSIRXJVMMQXLSI-NWDGAFQWSA-N 1 3 270.377 -0.554 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907200 357310203 /nfs/dbraw/zinc/31/02/03/357310203.db2.gz LUXPAJSWVRIAQY-DYEKYZERSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000636907200 357310207 /nfs/dbraw/zinc/31/02/07/357310207.db2.gz LUXPAJSWVRIAQY-DYEKYZERSA-N 1 3 296.415 -0.023 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000636141377 357267288 /nfs/dbraw/zinc/26/72/88/357267288.db2.gz WOMRNVCWOVGHLM-NWDGAFQWSA-N 1 3 267.373 -0.394 20 0 CBADHO CC(C)CC[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637864156 357378077 /nfs/dbraw/zinc/37/80/77/357378077.db2.gz NTQKNYHRHXMLBR-NEPJUHHUSA-N 1 3 256.394 -0.149 20 0 CBADHO CN(C)CCn1cc(C(=O)NC(C)(C)C[NH3+])cn1 ZINC000637830794 357372304 /nfs/dbraw/zinc/37/23/04/357372304.db2.gz GBLZFPAXXBMJQE-UHFFFAOYSA-N 1 3 253.350 -0.088 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000637828262 357372541 /nfs/dbraw/zinc/37/25/41/357372541.db2.gz DLEPJNPLQDHRMO-NSHDSACASA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C(=O)[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000637837324 357373973 /nfs/dbraw/zinc/37/39/73/357373973.db2.gz DIBHPZLUNYKSQP-SRVKXCTJSA-N 1 3 253.346 -0.330 20 0 CBADHO COC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCCCN1 ZINC000637838085 357374532 /nfs/dbraw/zinc/37/45/32/357374532.db2.gz QQZIXENLMFRURG-AAEUAGOBSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@@H](C)N1 ZINC000637841146 357374868 /nfs/dbraw/zinc/37/48/68/357374868.db2.gz RAYPTJMQRPQSNB-NQBHXWOUSA-N 1 3 255.362 -0.049 20 0 CBADHO COC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000637838086 357375180 /nfs/dbraw/zinc/37/51/80/357375180.db2.gz QQZIXENLMFRURG-DGCLKSJQSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@H]1CCCCN1CCO ZINC000637347757 357339528 /nfs/dbraw/zinc/33/95/28/357339528.db2.gz KBBHLZJQYBCXJF-CYBMUJFWSA-N 1 3 284.404 -0.116 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[NH3+] ZINC000637798427 357365552 /nfs/dbraw/zinc/36/55/52/357365552.db2.gz YAJHTIHKQVXLOT-GFCCVEGCSA-N 1 3 250.346 -0.479 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@]2(COC)CCCCN2)C1 ZINC000637802528 357366701 /nfs/dbraw/zinc/36/67/01/357366701.db2.gz SEXQKXSAUFRLJB-YPMHNXCESA-N 1 3 255.362 -0.035 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811493 357368719 /nfs/dbraw/zinc/36/87/19/357368719.db2.gz MFKOGCVFGJJSNJ-UONOGXRCSA-N 1 3 276.384 -0.076 20 0 CBADHO [NH3+][C@H]1CCc2nc(NC(=O)CN3CCNCC3)sc2C1 ZINC000638234995 357441709 /nfs/dbraw/zinc/44/17/09/357441709.db2.gz REMQYMGPKBWZIQ-VIFPVBQESA-N 1 3 295.412 -0.197 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCC(O)CC2)C1 ZINC000638069931 357409590 /nfs/dbraw/zinc/40/95/90/357409590.db2.gz NQAPPOGIBBNRBX-UKRRQHHQSA-N 1 3 299.415 -0.284 20 0 CBADHO COCCN(C)CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638092334 357414734 /nfs/dbraw/zinc/41/47/34/357414734.db2.gz XAGSUYIPAOGDAJ-CQSZACIVSA-N 1 3 287.404 -0.161 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638098002 357415914 /nfs/dbraw/zinc/41/59/14/357415914.db2.gz CIZQUTZHKUIURU-CYBMUJFWSA-N 1 3 284.404 -0.881 20 0 CBADHO CC[NH2+][C@H](C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000638098820 357416896 /nfs/dbraw/zinc/41/68/96/357416896.db2.gz POELJUVIMPPFCA-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638101832 357417173 /nfs/dbraw/zinc/41/71/73/357417173.db2.gz RETJVVIQMZDXJQ-VXGBXAGGSA-N 1 3 253.346 -0.129 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CCN1C ZINC000638124312 357422068 /nfs/dbraw/zinc/42/20/68/357422068.db2.gz SKXFZUJCGTWOOW-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1C1CC1 ZINC000638132258 357422496 /nfs/dbraw/zinc/42/24/96/357422496.db2.gz FXJJJCRNRYZQBD-LLHIFLOGSA-N 1 3 253.346 -0.156 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CN1C1CC1 ZINC000638134944 357423829 /nfs/dbraw/zinc/42/38/29/357423829.db2.gz QNPMKKGYQCDZSC-VXGBXAGGSA-N 1 3 266.389 -0.367 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638137046 357423862 /nfs/dbraw/zinc/42/38/62/357423862.db2.gz FCUIHHVHAQSNEP-RWMBFGLXSA-N 1 3 284.404 -0.755 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCN(C)CC2)C1 ZINC000638137257 357424071 /nfs/dbraw/zinc/42/40/71/357424071.db2.gz SKYPZQKZDWDHPJ-HIFRSBDPSA-N 1 3 298.431 -0.493 20 0 CBADHO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638136998 357424133 /nfs/dbraw/zinc/42/41/33/357424133.db2.gz QFLURVNIHLRYCK-DZGCQCFKSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638135920 357424404 /nfs/dbraw/zinc/42/44/04/357424404.db2.gz VSVXWQXGJRKUQN-YPMHNXCESA-N 1 3 266.389 -0.510 20 0 CBADHO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638137003 357424410 /nfs/dbraw/zinc/42/44/10/357424410.db2.gz QFLURVNIHLRYCK-ZFWWWQNUSA-N 1 3 298.431 -0.493 20 0 CBADHO COC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCCN1 ZINC000638152011 357427648 /nfs/dbraw/zinc/42/76/48/357427648.db2.gz CFZSBIRHVNOEKD-DGCLKSJQSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNCC3)C[C@@H]21 ZINC000638164980 357429386 /nfs/dbraw/zinc/42/93/86/357429386.db2.gz LBSAHBXVWJRKOP-FRRDWIJNSA-N 1 3 266.389 -0.523 20 0 CBADHO C[C@H](C[NH3+])NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638171180 357431597 /nfs/dbraw/zinc/43/15/97/357431597.db2.gz PKICJPIUYPLKQQ-DGCLKSJQSA-N 1 3 264.373 -0.091 20 0 CBADHO COC[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCN1 ZINC000638244684 357443404 /nfs/dbraw/zinc/44/34/04/357443404.db2.gz KFJDHBWVEUMCBP-WGBDABJCSA-N 1 3 253.346 -0.521 20 0 CBADHO CC[C@@H]1CN(C(=O)CN2CCNCC2)CC[C@@H]1[NH3+] ZINC000638202713 357433801 /nfs/dbraw/zinc/43/38/01/357433801.db2.gz JECGMLSZIKGRMU-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638210808 357434789 /nfs/dbraw/zinc/43/47/89/357434789.db2.gz KCLBCVCYNAHHMT-AAEUAGOBSA-N 1 3 264.373 -0.091 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638217902 357436307 /nfs/dbraw/zinc/43/63/07/357436307.db2.gz QQDJZOWMBCNOHA-LBPRGKRZSA-N 1 3 254.378 -0.521 20 0 CBADHO CC(C)CC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637864159 357379250 /nfs/dbraw/zinc/37/92/50/357379250.db2.gz NTQKNYHRHXMLBR-VXGBXAGGSA-N 1 3 256.394 -0.149 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000638587474 357498973 /nfs/dbraw/zinc/49/89/73/357498973.db2.gz OBYMPTYBYHZKFC-VIFPVBQESA-N 1 3 266.363 -0.886 20 0 CBADHO COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCCN1 ZINC000638263761 357446387 /nfs/dbraw/zinc/44/63/87/357446387.db2.gz CMWIZGRVWKWRCT-TZMCWYRMSA-N 1 3 285.388 -0.360 20 0 CBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CN1CC[NH2+]CC1 ZINC000638277164 357449881 /nfs/dbraw/zinc/44/98/81/357449881.db2.gz RWTNBGKXSYXGSV-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638291187 357453269 /nfs/dbraw/zinc/45/32/69/357453269.db2.gz NGGBLQNYTMUIMC-CYBMUJFWSA-N 1 3 273.377 -0.564 20 0 CBADHO CN(C)CCOCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638291188 357453518 /nfs/dbraw/zinc/45/35/18/357453518.db2.gz NGGBLQNYTMUIMC-ZDUSSCGKSA-N 1 3 273.377 -0.564 20 0 CBADHO O=C(CN1CCNCC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638326888 357458403 /nfs/dbraw/zinc/45/84/03/357458403.db2.gz ADTKBZCMZZVRCU-KBPBESRZSA-N 1 3 280.416 -0.118 20 0 CBADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1CNCCO1 ZINC000638337778 357459382 /nfs/dbraw/zinc/45/93/82/357459382.db2.gz JWERKBPJLBMFSF-AWEZNQCLSA-N 1 3 289.379 -0.021 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[NH3+] ZINC000638343040 357460150 /nfs/dbraw/zinc/46/01/50/357460150.db2.gz JWZHZLLMEGXZNW-CYBMUJFWSA-N 1 3 264.373 -0.137 20 0 CBADHO NC[C@@H]1c2ccccc2CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638374198 357463313 /nfs/dbraw/zinc/46/33/13/357463313.db2.gz XXGVKDRUWIZXMG-OAHLLOKOSA-N 1 3 288.395 -0.024 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@]2(COC)CCCCN2)C[C@H]1C[NH3+] ZINC000638392601 357466781 /nfs/dbraw/zinc/46/67/81/357466781.db2.gz ZVQNHIIBGSTVII-NFAWXSAZSA-N 1 3 299.415 -0.033 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638432592 357475691 /nfs/dbraw/zinc/47/56/91/357475691.db2.gz YSLMVDRMZBCNKX-BTQIBKBOSA-N 1 3 259.325 -0.349 20 0 CBADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CN1CCNCC1)C2 ZINC000638442315 357477478 /nfs/dbraw/zinc/47/74/78/357477478.db2.gz RQZKSKMWHQUBOV-WCQYABFASA-N 1 3 252.362 -0.769 20 0 CBADHO CC(C(=O)N[C@@H]1CC[NH2+]C12CCC2)S(C)(=O)=O ZINC000638503396 357491097 /nfs/dbraw/zinc/49/10/97/357491097.db2.gz ICUZOPSMSVIPOP-DTWKUNHWSA-N 1 3 260.359 -0.180 20 0 CBADHO C[C@H]1CCN[C@@H](C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638540344 357493262 /nfs/dbraw/zinc/49/32/62/357493262.db2.gz ORMFPWDTEPPWJV-WDEREUQCSA-N 1 3 255.362 -0.001 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCN2C)C1 ZINC000638536658 357493599 /nfs/dbraw/zinc/49/35/99/357493599.db2.gz RRFNEXPLKSGVJO-WZRBSPASSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]C1(CNC(=O)[C@@H]2CNCCC2(F)F)CCOCC1 ZINC000638540557 357493655 /nfs/dbraw/zinc/49/36/55/357493655.db2.gz PAYAJUXEGDKPFN-VIFPVBQESA-N 1 3 277.315 -0.145 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@H]1CNCCC1(F)F ZINC000638675762 357519693 /nfs/dbraw/zinc/51/96/93/357519693.db2.gz ZXAZIMFYTMVZGY-SECBINFHSA-N 1 3 265.304 -0.335 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000638728446 357525633 /nfs/dbraw/zinc/52/56/33/357525633.db2.gz RRFNEXPLKSGVJO-LOWVWBTDSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000638775282 357528301 /nfs/dbraw/zinc/52/83/01/357528301.db2.gz ACMLXNYLIKZYFK-SDDRHHMPSA-N 1 3 282.388 -0.737 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801806 357532461 /nfs/dbraw/zinc/53/24/61/357532461.db2.gz LPCZAFWPOFAKNT-NRUUGDAUSA-N 1 3 255.362 -0.003 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924748 357544509 /nfs/dbraw/zinc/54/45/09/357544509.db2.gz FEWQNMAXLPINOQ-UMNHJUIQSA-N 1 3 268.361 -0.951 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000638934286 357546132 /nfs/dbraw/zinc/54/61/32/357546132.db2.gz GMBRUKDSDXTGGC-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000638938029 357546188 /nfs/dbraw/zinc/54/61/88/357546188.db2.gz VYZRFGRBXLYLLC-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020174 357552735 /nfs/dbraw/zinc/55/27/35/357552735.db2.gz DHPIFDLQDGNBMD-DYEKYZERSA-N 1 3 296.415 -0.314 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043657 357555740 /nfs/dbraw/zinc/55/57/40/357555740.db2.gz YCZKRIVMQSJNHW-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCCN(C)Cc1cnc(N)nc1N)CC[NH+](C)C ZINC000639186617 357560137 /nfs/dbraw/zinc/56/01/37/357560137.db2.gz QUZHWHHXOPLSNB-UHFFFAOYSA-N 1 3 295.435 -0.383 20 0 CBADHO CN(C)C[C@]1(O)CCC[N@H+](CCN2CCOCC2)C1 ZINC000639761041 357596344 /nfs/dbraw/zinc/59/63/44/357596344.db2.gz FELMUERQVGGKFO-CQSZACIVSA-N 1 3 271.405 -0.293 20 0 CBADHO CN(C)C[C@]1(O)CCC[N@@H+](CCN2CCOCC2)C1 ZINC000639761041 357596345 /nfs/dbraw/zinc/59/63/45/357596345.db2.gz FELMUERQVGGKFO-CQSZACIVSA-N 1 3 271.405 -0.293 20 0 CBADHO C[NH+](C)C[C@@]1(O)CCCN(CC[C@H]2CCNC2=O)C1 ZINC000639769282 357597633 /nfs/dbraw/zinc/59/76/33/357597633.db2.gz XHWBTFOHPXVOKT-OCCSQVGLSA-N 1 3 269.389 -0.099 20 0 CBADHO NC(=O)[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C(N)=O ZINC000639843388 357602989 /nfs/dbraw/zinc/60/29/89/357602989.db2.gz FGUMCFCNTRVCCT-TXEJJXNPSA-N 1 3 282.388 -0.619 20 0 CBADHO NC(=O)[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C(N)=O ZINC000639843389 357603463 /nfs/dbraw/zinc/60/34/63/357603463.db2.gz FGUMCFCNTRVCCT-VXGBXAGGSA-N 1 3 282.388 -0.619 20 0 CBADHO COCCN(C)C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641224898 357682387 /nfs/dbraw/zinc/68/23/87/357682387.db2.gz YVBRZOVLABKRKX-TZMCWYRMSA-N 1 3 297.403 -0.631 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641423955 357704564 /nfs/dbraw/zinc/70/45/64/357704564.db2.gz FWPFITZFJXZILM-LBPRGKRZSA-N 1 3 299.419 -0.471 20 0 CBADHO CN1CCN(C(=O)CCN[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641800847 357742495 /nfs/dbraw/zinc/74/24/95/357742495.db2.gz HEINCJWLTGMRBS-RYUDHWBXSA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@H]2C[C@H](N)C2(C)C)CC1 ZINC000641800847 357742501 /nfs/dbraw/zinc/74/25/01/357742501.db2.gz HEINCJWLTGMRBS-RYUDHWBXSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642329784 357753342 /nfs/dbraw/zinc/75/33/42/357753342.db2.gz SHGGZVWCAMBYCW-GRYCIOLGSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000642403975 357754346 /nfs/dbraw/zinc/75/43/46/357754346.db2.gz PXFCAMOSWPOWOA-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000642439666 357755219 /nfs/dbraw/zinc/75/52/19/357755219.db2.gz NCUWNCSOBUAAQO-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642440160 357755604 /nfs/dbraw/zinc/75/56/04/357755604.db2.gz XNZCFKMEGPPLNH-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000642440045 357755702 /nfs/dbraw/zinc/75/57/02/357755702.db2.gz WGQAIRUNCBSQAI-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000642644465 357757309 /nfs/dbraw/zinc/75/73/09/357757309.db2.gz MRULRRHKUMCCRA-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000642733286 357760096 /nfs/dbraw/zinc/76/00/96/357760096.db2.gz CJDUIBKVRISUSF-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642733513 357760320 /nfs/dbraw/zinc/76/03/20/357760320.db2.gz SUKVHXPFJKAEJU-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642733514 357760520 /nfs/dbraw/zinc/76/05/20/357760520.db2.gz SUKVHXPFJKAEJU-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642773405 357760999 /nfs/dbraw/zinc/76/09/99/357760999.db2.gz WOZOENYTXYYOER-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000642756037 357761360 /nfs/dbraw/zinc/76/13/60/357761360.db2.gz JPORNQDUYJIYKH-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000642773331 357761449 /nfs/dbraw/zinc/76/14/49/357761449.db2.gz QXISLXNUXZYIDN-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785844 357762714 /nfs/dbraw/zinc/76/27/14/357762714.db2.gz MSNWDOWVSBVUAS-QWHCGFSZSA-N 1 3 294.399 -0.560 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902395 357765672 /nfs/dbraw/zinc/76/56/72/357765672.db2.gz RJRSDQCCMNBHMZ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642909756 357767215 /nfs/dbraw/zinc/76/72/15/357767215.db2.gz STIAIBHUFBBNIS-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000642909370 357767470 /nfs/dbraw/zinc/76/74/70/357767470.db2.gz LMZPSTXATZKJSE-WOPDTQHZSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000642953870 357772505 /nfs/dbraw/zinc/77/25/05/357772505.db2.gz ZRHLFWRHPJIBNN-UTUOFQBUSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CN ZINC000643593261 357791123 /nfs/dbraw/zinc/79/11/23/357791123.db2.gz UCGJJUQLAFLICS-CHWSQXEVSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643471906 357784323 /nfs/dbraw/zinc/78/43/23/357784323.db2.gz PEKYGBXBDLMMQD-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N(C)C ZINC000643520725 357786764 /nfs/dbraw/zinc/78/67/64/357786764.db2.gz GPRPATQBMCTRAH-RVMXOQNASA-N 1 3 294.399 -0.927 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N(C)C ZINC000643520724 357786946 /nfs/dbraw/zinc/78/69/46/357786946.db2.gz GPRPATQBMCTRAH-NDBYEHHHSA-N 1 3 294.399 -0.927 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574084002 334990935 /nfs/dbraw/zinc/99/09/35/334990935.db2.gz KETMJZIVPQYRTH-VIFPVBQESA-N 1 3 259.350 -0.290 20 0 CBADHO C[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000237459150 296014697 /nfs/dbraw/zinc/01/46/97/296014697.db2.gz YDUYJYODIFSLOO-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423592508 283549438 /nfs/dbraw/zinc/54/94/38/283549438.db2.gz KVUKGFCJTCTIDD-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]([NH3+])CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000515060621 296020213 /nfs/dbraw/zinc/02/02/13/296020213.db2.gz VZHTXNHXOSTHNZ-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000342736212 283810425 /nfs/dbraw/zinc/81/04/25/283810425.db2.gz MUQJAOTXUAIZIS-NXEZZACHSA-N 1 3 259.350 -0.277 20 0 CBADHO C[C@]1(C(N)=O)CCN(CCC[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565848 291376240 /nfs/dbraw/zinc/37/62/40/291376240.db2.gz QQKXXULVEQLPSU-GJZGRUSLSA-N 1 3 296.415 -0.229 20 0 CBADHO C[C@]1(C(N)=O)CCN(CCC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361565848 291376241 /nfs/dbraw/zinc/37/62/41/291376241.db2.gz QQKXXULVEQLPSU-GJZGRUSLSA-N 1 3 296.415 -0.229 20 0 CBADHO CCC[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N(C)C ZINC000552157456 283977554 /nfs/dbraw/zinc/97/75/54/283977554.db2.gz PXZFTBUFTBAEMT-WOPDTQHZSA-N 1 3 257.378 -0.150 20 0 CBADHO C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(=O)NCCN1CCCCC1 ZINC000574199870 335000184 /nfs/dbraw/zinc/00/01/84/335000184.db2.gz SOTZVRATBLCBAO-UTUOFQBUSA-N 1 3 282.388 -0.560 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000574276340 335006142 /nfs/dbraw/zinc/00/61/42/335006142.db2.gz XLYMBOBXGFRHTL-NWDGAFQWSA-N 1 3 271.361 -0.750 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000574276342 335006153 /nfs/dbraw/zinc/00/61/53/335006153.db2.gz XLYMBOBXGFRHTL-VXGBXAGGSA-N 1 3 271.361 -0.750 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000574324614 335010483 /nfs/dbraw/zinc/01/04/83/335010483.db2.gz VTMJZQBADGXRQC-ONGXEEELSA-N 1 3 258.366 -0.942 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000237155384 189866148 /nfs/dbraw/zinc/86/61/48/189866148.db2.gz FUPPMMVLLYXQEO-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC1=O ZINC000237161628 189866170 /nfs/dbraw/zinc/86/61/70/189866170.db2.gz ZNTXKIBADBWELV-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CNC(=O)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000344055899 217029216 /nfs/dbraw/zinc/02/92/16/217029216.db2.gz LDSPZBWHSCFEQJ-UHFFFAOYSA-N 1 3 258.410 -0.062 20 0 CBADHO CNC(=O)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344055899 217029219 /nfs/dbraw/zinc/02/92/19/217029219.db2.gz LDSPZBWHSCFEQJ-UHFFFAOYSA-N 1 3 258.410 -0.062 20 0 CBADHO CN(CCCN(C)[C@H]1CCNC1=O)CC[NH+](C)C ZINC000344064441 217035295 /nfs/dbraw/zinc/03/52/95/217035295.db2.gz OECDMQSXTFKOTA-LBPRGKRZSA-N 1 3 256.394 -0.310 20 0 CBADHO COCCN(C)CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344481483 217206228 /nfs/dbraw/zinc/20/62/28/217206228.db2.gz IFFSRYLSTVDSME-UHFFFAOYSA-N 1 3 287.404 -0.174 20 0 CBADHO COC[C@@]1(CNC(=O)C(N)C(F)(F)F)CCC[NH2+]1 ZINC000353426619 220075963 /nfs/dbraw/zinc/07/59/63/220075963.db2.gz JXKPOHZBOLZCGA-APPZFPTMSA-N 1 3 269.267 -0.239 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN3CCC[C@H]3C2)O1 ZINC000094568412 372776081 /nfs/dbraw/zinc/77/60/81/372776081.db2.gz IUGLCJPUDZWLLM-TUAOUCFPSA-N 1 3 253.346 -0.201 20 0 CBADHO C[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000157556459 372808066 /nfs/dbraw/zinc/80/80/66/372808066.db2.gz GEPKTJBGXZSCEK-MNOVXSKESA-N 1 3 268.361 -0.901 20 0 CBADHO C[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000157556782 372809111 /nfs/dbraw/zinc/80/91/11/372809111.db2.gz GEPKTJBGXZSCEK-GHMZBOCLSA-N 1 3 268.361 -0.901 20 0 CBADHO CO[C@@H](CN)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000353460120 220095913 /nfs/dbraw/zinc/09/59/13/220095913.db2.gz NUTPNYPRBDKRLJ-ZDUSSCGKSA-N 1 3 265.357 -0.010 20 0 CBADHO CO[C@H](CN)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000353476972 220105334 /nfs/dbraw/zinc/10/53/34/220105334.db2.gz ZUFYENWNBCBTHB-GFCCVEGCSA-N 1 3 251.330 -0.052 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333297352 205194749 /nfs/dbraw/zinc/19/47/49/205194749.db2.gz ILYDWXFBNQRNLH-AVGNSLFASA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[N@H+](C)C1CC1 ZINC000333402531 205290361 /nfs/dbraw/zinc/29/03/61/205290361.db2.gz QECIDJLXDMLAHU-LLVKDONJSA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[N@@H+](C)C1CC1 ZINC000333402531 205290363 /nfs/dbraw/zinc/29/03/63/205290363.db2.gz QECIDJLXDMLAHU-LLVKDONJSA-N 1 3 282.388 -0.147 20 0 CBADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000333565173 373011393 /nfs/dbraw/zinc/01/13/93/373011393.db2.gz LVSUFIOFHQXKPW-MNOVXSKESA-N 1 3 255.362 -0.131 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332549181 373006656 /nfs/dbraw/zinc/00/66/56/373006656.db2.gz IKBBWAFGCNSWNR-JHJVBQTASA-N 1 3 294.399 -0.321 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000333941573 373013208 /nfs/dbraw/zinc/01/32/08/373013208.db2.gz PCUMEPARZPKHLO-LBPRGKRZSA-N 1 3 269.393 -0.715 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333933177 373014273 /nfs/dbraw/zinc/01/42/73/373014273.db2.gz HLMQVDRPMIDCTD-KGLIPLIRSA-N 1 3 295.431 -0.230 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000353553272 220152951 /nfs/dbraw/zinc/15/29/51/220152951.db2.gz QURMMSWGPDIBEB-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000353438068 373113431 /nfs/dbraw/zinc/11/34/31/373113431.db2.gz YUWDBRWFLIQKQI-FRRDWIJNSA-N 1 3 287.404 -0.034 20 0 CBADHO CNC(=O)C[C@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175638 373265291 /nfs/dbraw/zinc/26/52/91/373265291.db2.gz QLBJJBCQLPLBCO-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)C[C@H](C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361175638 373265299 /nfs/dbraw/zinc/26/52/99/373265299.db2.gz QLBJJBCQLPLBCO-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000361711933 373327784 /nfs/dbraw/zinc/32/77/84/373327784.db2.gz XCZYVUIPHFTQEZ-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868556 373459164 /nfs/dbraw/zinc/45/91/64/373459164.db2.gz QFRRDAWNTQQXIM-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868556 373459174 /nfs/dbraw/zinc/45/91/74/373459174.db2.gz QFRRDAWNTQQXIM-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO CN1CCN(CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399312151 373585003 /nfs/dbraw/zinc/58/50/03/373585003.db2.gz RJVZZQXKETXVFA-UHFFFAOYSA-N 1 3 254.378 -0.650 20 0 CBADHO COCCN(C)CCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417091404 373624814 /nfs/dbraw/zinc/62/48/14/373624814.db2.gz JUKFETUKVLFHTB-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO COCCN(C)CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417085972 373625477 /nfs/dbraw/zinc/62/54/77/373625477.db2.gz BYWHJZXJQWUKOS-LBPRGKRZSA-N 1 3 272.393 -0.009 20 0 CBADHO COCCN(C)CCCNC(=O)NC[C@H](C)C[NH3+] ZINC000417098258 373627864 /nfs/dbraw/zinc/62/78/64/373627864.db2.gz YAPZNUKUTRANID-LLVKDONJSA-N 1 3 260.382 -0.151 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)N1CCCNCC1 ZINC000417098323 373628567 /nfs/dbraw/zinc/62/85/67/373628567.db2.gz YNCQBQTVCPJUDL-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)N1CCCNCC1 ZINC000417098323 373628575 /nfs/dbraw/zinc/62/85/75/373628575.db2.gz YNCQBQTVCPJUDL-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417446300 373629414 /nfs/dbraw/zinc/62/94/14/373629414.db2.gz KPJSEBWQWSZQMZ-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418709500 373636554 /nfs/dbraw/zinc/63/65/54/373636554.db2.gz VBOONAPVXDSFFE-MNOVXSKESA-N 1 3 260.382 -0.058 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419419934 373639092 /nfs/dbraw/zinc/63/90/92/373639092.db2.gz JJHUZCKUYZGBAR-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419874527 373644465 /nfs/dbraw/zinc/64/44/65/373644465.db2.gz WBWJLTDZVFGUQS-QWHCGFSZSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420082292 373648952 /nfs/dbraw/zinc/64/89/52/373648952.db2.gz UVMVNQQCCVQXBZ-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420089187 373650001 /nfs/dbraw/zinc/65/00/01/373650001.db2.gz JLBOBSOSUFTGDS-LBPRGKRZSA-N 1 3 296.415 -0.075 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423151629 373654996 /nfs/dbraw/zinc/65/49/96/373654996.db2.gz KHHJQDCYHWDBRH-CHWSQXEVSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423677494 373660207 /nfs/dbraw/zinc/66/02/07/373660207.db2.gz KFGDKRCLMLUGDX-RYUDHWBXSA-N 1 3 284.404 -0.265 20 0 CBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000424460528 373665764 /nfs/dbraw/zinc/66/57/64/373665764.db2.gz BFWBLNLZMYYBKT-HBNTYKKESA-N 1 3 256.350 -0.456 20 0 CBADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)CN1 ZINC000432537905 373675310 /nfs/dbraw/zinc/67/53/10/373675310.db2.gz IKENJHYZPILXDX-YFKTTZPYSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)CN1 ZINC000432537905 373675314 /nfs/dbraw/zinc/67/53/14/373675314.db2.gz IKENJHYZPILXDX-YFKTTZPYSA-N 1 3 253.346 -0.548 20 0 CBADHO C[NH2+]CCC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000520226383 373830164 /nfs/dbraw/zinc/83/01/64/373830164.db2.gz NPDGALKQKAUPHM-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520232089 373830384 /nfs/dbraw/zinc/83/03/84/373830384.db2.gz RQNROKSAAMCOLK-AXFHLTTASA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000520841101 373837358 /nfs/dbraw/zinc/83/73/58/373837358.db2.gz DWBLAENATHWXES-MMWGEVLESA-N 1 3 283.376 -0.934 20 0 CBADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CSCN1 ZINC000515484654 373788382 /nfs/dbraw/zinc/78/83/82/373788382.db2.gz OKMYGFWJVWCWMM-BPCQOVAHSA-N 1 3 298.456 -0.019 20 0 CBADHO NC(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000515840266 373797265 /nfs/dbraw/zinc/79/72/65/373797265.db2.gz JCKWMQCWAVIRBA-BDAKNGLRSA-N 1 3 280.294 -0.618 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnnn1C ZINC000524085408 373880518 /nfs/dbraw/zinc/88/05/18/373880518.db2.gz HESGIZAJWMDORL-UHFFFAOYSA-N 1 3 268.365 -0.620 20 0 CBADHO CC[C@H]1CN(C)CCN1C[C@@H](O)C[N@H+](C)CCOC ZINC000521642428 373849048 /nfs/dbraw/zinc/84/90/48/373849048.db2.gz ZIDUCFAZMMSIBL-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[C@H]1CN(C)CCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000521642428 373849057 /nfs/dbraw/zinc/84/90/57/373849057.db2.gz ZIDUCFAZMMSIBL-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000521646645 373849325 /nfs/dbraw/zinc/84/93/25/373849325.db2.gz WZZJOPWYBSIDBN-KXNHARMFSA-N 1 3 280.372 -0.855 20 0 CBADHO CN1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](CN)C1 ZINC000521986470 373854267 /nfs/dbraw/zinc/85/42/67/373854267.db2.gz HFWGIHKHBYPKQO-TZMCWYRMSA-N 1 3 283.420 -0.340 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000522266326 373867271 /nfs/dbraw/zinc/86/72/71/373867271.db2.gz IFDRUVDGVGODSF-ZIAGYGMSSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000522266326 373867280 /nfs/dbraw/zinc/86/72/80/373867280.db2.gz IFDRUVDGVGODSF-ZIAGYGMSSA-N 1 3 282.432 -0.062 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000574453058 335021010 /nfs/dbraw/zinc/02/10/10/335021010.db2.gz UDRBJMRGQCYYQC-ONGXEEELSA-N 1 3 258.366 -0.815 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000555638686 374293290 /nfs/dbraw/zinc/29/32/90/374293290.db2.gz GOSZRPMCRGLQBB-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)CN1 ZINC000563704917 374323301 /nfs/dbraw/zinc/32/33/01/374323301.db2.gz BEKUYXBKNHWFRS-ZJUUUORDSA-N 1 3 266.349 -0.551 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000583753156 374366105 /nfs/dbraw/zinc/36/61/05/374366105.db2.gz PRWXJBOFPDNMOB-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539500 374590435 /nfs/dbraw/zinc/59/04/35/374590435.db2.gz TTWXZYSGTGNPRR-VXGBXAGGSA-N 1 3 257.378 -0.066 20 0 CBADHO CC[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539500 374590440 /nfs/dbraw/zinc/59/04/40/374590440.db2.gz TTWXZYSGTGNPRR-VXGBXAGGSA-N 1 3 257.378 -0.066 20 0 CBADHO C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)N(C)C ZINC000644531678 374591186 /nfs/dbraw/zinc/59/11/86/374591186.db2.gz PLJPIXGZSXXHAL-LBPRGKRZSA-N 1 3 258.410 -0.064 20 0 CBADHO C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N(C)C ZINC000644531678 374591187 /nfs/dbraw/zinc/59/11/87/374591187.db2.gz PLJPIXGZSXXHAL-LBPRGKRZSA-N 1 3 258.410 -0.064 20 0 CBADHO C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)N(C)C ZINC000644531678 374591193 /nfs/dbraw/zinc/59/11/93/374591193.db2.gz PLJPIXGZSXXHAL-LBPRGKRZSA-N 1 3 258.410 -0.064 20 0 CBADHO C[C@H](CCN(C)C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000644562837 374595338 /nfs/dbraw/zinc/59/53/38/374595338.db2.gz BOGFFKRTFVLIAN-KGLIPLIRSA-N 1 3 272.437 -0.476 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CN1CCN(C)CC1 ZINC000644562837 374595341 /nfs/dbraw/zinc/59/53/41/374595341.db2.gz BOGFFKRTFVLIAN-KGLIPLIRSA-N 1 3 272.437 -0.476 20 0 CBADHO C[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)CN1CCN(C)CC1 ZINC000644562662 374595441 /nfs/dbraw/zinc/59/54/41/374595441.db2.gz CQGOOFIASMIXEX-GOEBONIOSA-N 1 3 298.475 -0.085 20 0 CBADHO C[NH+](C)CCn1cc(NC(=O)C[C@H]2CNCCO2)cn1 ZINC000645803353 374700255 /nfs/dbraw/zinc/70/02/55/374700255.db2.gz SRNPVEVMXOVMCE-LBPRGKRZSA-N 1 3 281.360 -0.238 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000645891278 374711257 /nfs/dbraw/zinc/71/12/57/374711257.db2.gz NQMJKTSVAPLPNZ-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)nn1 ZINC000645953448 374717393 /nfs/dbraw/zinc/71/73/93/374717393.db2.gz UNLSQHXJVCWSOC-GFCCVEGCSA-N 1 3 292.387 -0.159 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)C1 ZINC000646003128 374724993 /nfs/dbraw/zinc/72/49/93/374724993.db2.gz SVPXLQZNELRBIA-QWHCGFSZSA-N 1 3 266.389 -0.413 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C1 ZINC000646003173 374725254 /nfs/dbraw/zinc/72/52/54/374725254.db2.gz VJBCJPLTQABADF-ZDUSSCGKSA-N 1 3 280.416 -0.166 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000646061101 374737208 /nfs/dbraw/zinc/73/72/08/374737208.db2.gz BYXIGYIVXJCEQZ-UONOGXRCSA-N 1 3 298.431 -0.541 20 0 CBADHO C[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)[C@H]1C[NH3+] ZINC000646771605 374811365 /nfs/dbraw/zinc/81/13/65/374811365.db2.gz YXMFUZYGGNPMIL-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000646856512 374830315 /nfs/dbraw/zinc/83/03/15/374830315.db2.gz ISMYHTVUHQIZLS-SDDRHHMPSA-N 1 3 271.361 -0.670 20 0 CBADHO C[NH+](C)C[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000646533834 374784624 /nfs/dbraw/zinc/78/46/24/374784624.db2.gz FTKUYUBLVJSEEP-LLVKDONJSA-N 1 3 255.362 -0.225 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(C)S(C)(=O)=O ZINC000647034297 374866011 /nfs/dbraw/zinc/86/60/11/374866011.db2.gz GWYSOWCPZQSZKF-CIUDSAMLSA-N 1 3 266.338 -0.422 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCOC1CNC1 ZINC000647036147 374866506 /nfs/dbraw/zinc/86/65/06/374866506.db2.gz UVECJUCOPONYAB-UWVGGRQHSA-N 1 3 259.325 -0.477 20 0 CBADHO O=C(COC1CC[NH2+]CC1)N[C@H]1CNCCC1(F)F ZINC000647075801 374880780 /nfs/dbraw/zinc/88/07/80/374880780.db2.gz XRATXYOJXAJLOO-JTQLQIEISA-N 1 3 277.315 -0.132 20 0 CBADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000646918527 374842076 /nfs/dbraw/zinc/84/20/76/374842076.db2.gz YIOFQLCOINWEDO-IHRRRGAJSA-N 1 3 278.400 -0.461 20 0 CBADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000646918527 374842078 /nfs/dbraw/zinc/84/20/78/374842078.db2.gz YIOFQLCOINWEDO-IHRRRGAJSA-N 1 3 278.400 -0.461 20 0 CBADHO C[C@H]([NH3+])CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000647022843 374862917 /nfs/dbraw/zinc/86/29/17/374862917.db2.gz HZZKPHINZKRLJE-AVWBDOJWSA-N 1 3 255.362 -0.018 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574584332 335032117 /nfs/dbraw/zinc/03/21/17/335032117.db2.gz FWAXYHDULXIWTM-UTUOFQBUSA-N 1 3 297.403 -0.543 20 0 CBADHO C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C1CC1 ZINC000574632493 335035278 /nfs/dbraw/zinc/03/52/78/335035278.db2.gz XGYWUQXQSVTTRT-HIFRSBDPSA-N 1 3 284.448 -0.333 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574639016 335036258 /nfs/dbraw/zinc/03/62/58/335036258.db2.gz QIJIMVJJQRFRKV-BXUZGUMPSA-N 1 3 283.372 -0.131 20 0 CBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC[NH3+])cc1 ZINC000262682064 190060891 /nfs/dbraw/zinc/06/08/91/190060891.db2.gz XXTKXRGWOXBSTI-UHFFFAOYSA-N 1 3 292.383 -0.057 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356383559 248242167 /nfs/dbraw/zinc/24/21/67/248242167.db2.gz BVBXREPAGPOEAT-CKYFFXLPSA-N 1 3 270.377 -0.705 20 0 CBADHO [NH3+]CCOCCN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000357025513 248310985 /nfs/dbraw/zinc/31/09/85/248310985.db2.gz HKINLGVLGLYAQS-CYBMUJFWSA-N 1 3 285.388 -0.468 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000357312090 248352068 /nfs/dbraw/zinc/35/20/68/248352068.db2.gz VJNCFVKZKYWNJM-UZWSLXQKSA-N 1 3 255.362 -0.132 20 0 CBADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000358518777 248501537 /nfs/dbraw/zinc/50/15/37/248501537.db2.gz RRFITOCEMRHIFZ-UHFFFAOYSA-N 1 3 280.372 -0.980 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419736790 284626235 /nfs/dbraw/zinc/62/62/35/284626235.db2.gz SHYQNQWSDIVDEX-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419737906 284626971 /nfs/dbraw/zinc/62/69/71/284626971.db2.gz UGOZNVGDXJBFOI-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)([NH3+])CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000346855232 218038157 /nfs/dbraw/zinc/03/81/57/218038157.db2.gz ZPWYLCJAQLSUHC-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CCNS(=O)(=O)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000346969038 218072497 /nfs/dbraw/zinc/07/24/97/218072497.db2.gz KBPUHPRIUKKVOI-LBPRGKRZSA-N 1 3 275.418 0.000 20 0 CBADHO COCCN(C)CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278651443 194084425 /nfs/dbraw/zinc/08/44/25/194084425.db2.gz ALWDCQJETDCZCG-NSHDSACASA-N 1 3 295.387 -0.205 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000347376689 218212032 /nfs/dbraw/zinc/21/20/32/218212032.db2.gz URASQTQWCVQHQR-LBPRGKRZSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000347376689 218212034 /nfs/dbraw/zinc/21/20/34/218212034.db2.gz URASQTQWCVQHQR-LBPRGKRZSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000420176005 207801885 /nfs/dbraw/zinc/80/18/85/207801885.db2.gz WCHAFDSHJZITCL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420015423 207775784 /nfs/dbraw/zinc/77/57/84/207775784.db2.gz QAPCQAZUFINYDW-LLVKDONJSA-N 1 3 296.371 -0.367 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427270793 208058372 /nfs/dbraw/zinc/05/83/72/208058372.db2.gz XZCJLJPGXDTFKU-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428981221 208106124 /nfs/dbraw/zinc/10/61/24/208106124.db2.gz QCTOGZPLDXBOJO-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000429082718 208107438 /nfs/dbraw/zinc/10/74/38/208107438.db2.gz QPORLDSWOHVMDB-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[C@@H]1[NH3+] ZINC000429166134 208112198 /nfs/dbraw/zinc/11/21/98/208112198.db2.gz UGCZKEIEPHMTBY-UPJWGTAASA-N 1 3 296.415 -0.408 20 0 CBADHO C[NH+](C)CC1CCN(C(=O)COC2CNC2)CC1 ZINC000430707006 208172760 /nfs/dbraw/zinc/17/27/60/208172760.db2.gz WGDRGMHSBVTQGY-UHFFFAOYSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430729635 208174393 /nfs/dbraw/zinc/17/43/93/208174393.db2.gz HBETUTMURFCMCY-NWDGAFQWSA-N 1 3 271.361 -0.798 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000430936670 208194284 /nfs/dbraw/zinc/19/42/84/208194284.db2.gz VRNCIUIBKACYPF-GFCCVEGCSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN(CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000431003247 208196547 /nfs/dbraw/zinc/19/65/47/208196547.db2.gz COQXAFHJPKCWKV-UHFFFAOYSA-N 1 3 256.394 -0.275 20 0 CBADHO C[NH2+]CCCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000431016947 208198050 /nfs/dbraw/zinc/19/80/50/208198050.db2.gz LWXLEGDHASDDAU-ZDUSSCGKSA-N 1 3 270.421 -0.014 20 0 CBADHO CCN1CCN(CCNC(=O)CCC[NH2+]C)CC1 ZINC000431011352 208200290 /nfs/dbraw/zinc/20/02/90/208200290.db2.gz UNFGVIPCHUVEAJ-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)CCC[NH3+])CC1 ZINC000431029624 208202401 /nfs/dbraw/zinc/20/24/01/208202401.db2.gz FVGDPXXWLUSPLY-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000431031445 208202665 /nfs/dbraw/zinc/20/26/65/208202665.db2.gz ZPAFDVMANSWBIP-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@H](C)[NH3+])CC1 ZINC000431031447 208203148 /nfs/dbraw/zinc/20/31/48/208203148.db2.gz ZPAFDVMANSWBIP-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO CN1CC[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375256 208244900 /nfs/dbraw/zinc/24/49/00/208244900.db2.gz HCZPYJGXSJVWDX-RYUDHWBXSA-N 1 3 292.387 -0.116 20 0 CBADHO CCN1CCN(CCNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000434670232 208265171 /nfs/dbraw/zinc/26/51/71/208265171.db2.gz AYJFGOMPUAIJKE-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCN1CCOCC1 ZINC000436055473 208288058 /nfs/dbraw/zinc/28/80/58/208288058.db2.gz BKDJHSNTGXUKFP-CQSZACIVSA-N 1 3 298.431 -0.362 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459895191 208530892 /nfs/dbraw/zinc/53/08/92/208530892.db2.gz KDDVVOGICSCOTA-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000574857918 335052477 /nfs/dbraw/zinc/05/24/77/335052477.db2.gz KLDZGWZOGRVEAC-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000574857918 335052479 /nfs/dbraw/zinc/05/24/79/335052479.db2.gz KLDZGWZOGRVEAC-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000348989524 285264484 /nfs/dbraw/zinc/26/44/84/285264484.db2.gz JNEIKZARZJBXMB-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423438369 285319957 /nfs/dbraw/zinc/31/99/57/285319957.db2.gz UYCJGPTUWSFYAS-CYBMUJFWSA-N 1 3 282.432 -0.014 20 0 CBADHO COC[C@@]1(CNC(=O)[C@@H](N)CC(F)F)CCC[NH2+]1 ZINC000521041593 260032035 /nfs/dbraw/zinc/03/20/35/260032035.db2.gz RNSMCRGXILAWBS-KWQFWETISA-N 1 3 265.304 -0.146 20 0 CBADHO COC[C@H](C)NC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361814167 285342608 /nfs/dbraw/zinc/34/26/08/285342608.db2.gz NAYOPHSKVSKEQY-SRVKXCTJSA-N 1 3 270.377 -0.002 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000342719826 533450419 /nfs/dbraw/zinc/45/04/19/533450419.db2.gz XUWODMSEYFOFMZ-NSHDSACASA-N 1 3 271.361 -0.131 20 0 CBADHO C[N@H+](C[C@@H](O)CNC[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117398 335068235 /nfs/dbraw/zinc/06/82/35/335068235.db2.gz MPOQBOJRCHRMGN-AAEUAGOBSA-N 1 3 255.362 -0.300 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC[C@]1(C)CCC(=O)N1)C1CC1 ZINC000575117398 335068237 /nfs/dbraw/zinc/06/82/37/335068237.db2.gz MPOQBOJRCHRMGN-AAEUAGOBSA-N 1 3 255.362 -0.300 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)[C@]2(F)CCNC2)CC1 ZINC000178831046 289068929 /nfs/dbraw/zinc/06/89/29/289068929.db2.gz OOVSNIFJNUFONZ-AWEZNQCLSA-N 1 3 286.395 -0.170 20 0 CBADHO COCCCN(C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417748422 292336572 /nfs/dbraw/zinc/33/65/72/292336572.db2.gz IEUSGEBIPLQBTK-NSHDSACASA-N 1 3 260.382 -0.151 20 0 CBADHO COCCCN1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000364880880 292351111 /nfs/dbraw/zinc/35/11/11/292351111.db2.gz MHJNRAIONAWVAM-UHFFFAOYSA-N 1 3 255.362 -0.223 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N(C)C ZINC000367700652 286734710 /nfs/dbraw/zinc/73/47/10/286734710.db2.gz WTWCYCPSVMXNJJ-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO O=C([C@H]1CCCCN1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956885 304424424 /nfs/dbraw/zinc/42/44/24/304424424.db2.gz FPCGZUKAZXAUSP-QWHCGFSZSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419953627 286822968 /nfs/dbraw/zinc/82/29/68/286822968.db2.gz LECPWBXQMQXEMP-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](C)CN1 ZINC000418767193 296833955 /nfs/dbraw/zinc/83/39/55/296833955.db2.gz NTDJORGUAPYEFT-OUAUKWLOSA-N 1 3 256.350 -0.633 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662747175 413992064 /nfs/dbraw/zinc/99/20/64/413992064.db2.gz UMGFQEZKQDMJQG-IJLUTSLNSA-N 1 3 255.362 -0.192 20 0 CBADHO CN1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042171269 174651459 /nfs/dbraw/zinc/65/14/59/174651459.db2.gz QACWFBDFBVSNPY-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO C[N@H+](CCNC(=O)CN1CCNCC1)C1CCCC1 ZINC000071378712 176143367 /nfs/dbraw/zinc/14/33/67/176143367.db2.gz XDKYNZNLSPWWRF-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO C[N@@H+](CCNC(=O)CN1CCNCC1)C1CCCC1 ZINC000071378712 176143369 /nfs/dbraw/zinc/14/33/69/176143369.db2.gz XDKYNZNLSPWWRF-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)[C@@H]1C[NH3+] ZINC000423743656 287321696 /nfs/dbraw/zinc/32/16/96/287321696.db2.gz VPBYEFXRBQZWJB-VXGBXAGGSA-N 1 3 284.404 -0.408 20 0 CBADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)[C@H]1C[NH3+] ZINC000423743652 287321742 /nfs/dbraw/zinc/32/17/42/287321742.db2.gz VPBYEFXRBQZWJB-NEPJUHHUSA-N 1 3 284.404 -0.408 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N(C)C ZINC000367700636 287474107 /nfs/dbraw/zinc/47/41/07/287474107.db2.gz WTWCYCPSVMXNJJ-CHWSQXEVSA-N 1 3 268.405 -0.167 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000073433716 544422580 /nfs/dbraw/zinc/42/25/80/544422580.db2.gz ASPUNBNTOLYJJT-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[NH+](C)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367159414 228151608 /nfs/dbraw/zinc/15/16/08/228151608.db2.gz NXAYGKMSQCYTPW-AWEZNQCLSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161650410 544475648 /nfs/dbraw/zinc/47/56/48/544475648.db2.gz YFZQWBLUQPCLDD-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000167660047 544479492 /nfs/dbraw/zinc/47/94/92/544479492.db2.gz IVGKYPYKEBIEEY-QWHCGFSZSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000167660047 544479496 /nfs/dbraw/zinc/47/94/96/544479496.db2.gz IVGKYPYKEBIEEY-QWHCGFSZSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333729391 544545470 /nfs/dbraw/zinc/54/54/70/544545470.db2.gz HPXLAXPLSOJONC-RDBSUJKOSA-N 1 3 296.415 -0.023 20 0 CBADHO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1CN ZINC000261550775 544515968 /nfs/dbraw/zinc/51/59/68/544515968.db2.gz QNRZRDQMRMRQBT-ZJUUUORDSA-N 1 3 256.350 -0.109 20 0 CBADHO CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1CN ZINC000261550775 544515974 /nfs/dbraw/zinc/51/59/74/544515974.db2.gz QNRZRDQMRMRQBT-ZJUUUORDSA-N 1 3 256.350 -0.109 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261759681 544516426 /nfs/dbraw/zinc/51/64/26/544516426.db2.gz JQBSVLZMZYBXCV-MDZLAQPJSA-N 1 3 284.404 -0.328 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000343007410 544553703 /nfs/dbraw/zinc/55/37/03/544553703.db2.gz GHIDZLNZXKMDGB-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)CN2CCNCC2)C1 ZINC000037643513 419411091 /nfs/dbraw/zinc/41/10/91/419411091.db2.gz AMGHXVYJRUEFOQ-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)CN2CCNCC2)C1 ZINC000037643513 419411105 /nfs/dbraw/zinc/41/11/05/419411105.db2.gz AMGHXVYJRUEFOQ-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000062972739 419459887 /nfs/dbraw/zinc/45/98/87/419459887.db2.gz BUYHHNBXYKZNKM-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000638088656 419525120 /nfs/dbraw/zinc/52/51/20/419525120.db2.gz JPYHTXWHOWFQIH-BXUZGUMPSA-N 1 3 295.387 0.150 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000638088760 419526155 /nfs/dbraw/zinc/52/61/55/419526155.db2.gz JPYHTXWHOWFQIH-FZMZJTMJSA-N 1 3 295.387 0.150 20 0 CBADHO CN(C[C@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150678 419549880 /nfs/dbraw/zinc/54/98/80/419549880.db2.gz ACHBBNZUTMXBBI-CVEARBPZSA-N 1 3 297.443 -0.028 20 0 CBADHO CN(C[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000662150678 419549885 /nfs/dbraw/zinc/54/98/85/419549885.db2.gz ACHBBNZUTMXBBI-CVEARBPZSA-N 1 3 297.443 -0.028 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000389757148 544577327 /nfs/dbraw/zinc/57/73/27/544577327.db2.gz RRNGXKRQBURMGT-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000389757148 544577330 /nfs/dbraw/zinc/57/73/30/544577330.db2.gz RRNGXKRQBURMGT-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662248233 419562490 /nfs/dbraw/zinc/56/24/90/419562490.db2.gz WPESHRYVEGPZBO-TUAOUCFPSA-N 1 3 255.362 -0.445 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CNCCO2)C1 ZINC000389757153 544577672 /nfs/dbraw/zinc/57/76/72/544577672.db2.gz RRNGXKRQBURMGT-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CNCCO2)C1 ZINC000389757153 544577675 /nfs/dbraw/zinc/57/76/75/544577675.db2.gz RRNGXKRQBURMGT-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)N(C)C1CC1 ZINC000219946106 419564594 /nfs/dbraw/zinc/56/45/94/419564594.db2.gz ACFPTNQAVVFHKA-VIFPVBQESA-N 1 3 266.349 -0.551 20 0 CBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662272208 419566090 /nfs/dbraw/zinc/56/60/90/419566090.db2.gz MDEAPXBSDGFWBV-CHWSQXEVSA-N 1 3 284.404 -0.706 20 0 CBADHO COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662259189 419566889 /nfs/dbraw/zinc/56/68/89/419566889.db2.gz RNJCSCNMDSJBIC-NWDGAFQWSA-N 1 3 258.362 -0.116 20 0 CBADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662259335 419567015 /nfs/dbraw/zinc/56/70/15/419567015.db2.gz VDOCUWHQXKEXFG-WDEREUQCSA-N 1 3 255.362 -0.179 20 0 CBADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662259335 419567022 /nfs/dbraw/zinc/56/70/22/419567022.db2.gz VDOCUWHQXKEXFG-WDEREUQCSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C)CCOCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662536689 419633160 /nfs/dbraw/zinc/63/31/60/419633160.db2.gz XUKMHHSIYSMRFU-NSHDSACASA-N 1 3 295.387 -0.205 20 0 CBADHO OCC1([NH2+]CCOC[C@H]2CCCO2)CCNCC1 ZINC000662285928 419573128 /nfs/dbraw/zinc/57/31/28/419573128.db2.gz ANVITGUPJFUPOF-GFCCVEGCSA-N 1 3 258.362 -0.114 20 0 CBADHO C[C@H]1CN(CC[NH2+]C2(CO)CCNCC2)CCO1 ZINC000662284991 419575213 /nfs/dbraw/zinc/57/52/13/419575213.db2.gz SZPLINRYDIXUHS-LBPRGKRZSA-N 1 3 257.378 -0.589 20 0 CBADHO C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000237454251 419580845 /nfs/dbraw/zinc/58/08/45/419580845.db2.gz ZPEWPAXGGYTTJB-HIFRSBDPSA-N 1 3 282.432 -0.014 20 0 CBADHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COCCO1 ZINC000662307487 419583987 /nfs/dbraw/zinc/58/39/87/419583987.db2.gz WHEJRIXLYJEADP-VXGBXAGGSA-N 1 3 256.346 -0.145 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662444627 419604670 /nfs/dbraw/zinc/60/46/70/419604670.db2.gz IXWXNKTXXLDEBU-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CS(=O)(=O)N1CC[C@H](CN[C@@H]2CCC[NH2+]C2)C1 ZINC000647549465 419605972 /nfs/dbraw/zinc/60/59/72/419605972.db2.gz BWEIWMTZAJLYGF-GHMZBOCLSA-N 1 3 261.391 -0.391 20 0 CBADHO CS(=O)(=O)N1CC[C@@H](CN[C@@H]2CCC[NH2+]C2)C1 ZINC000647549468 419608802 /nfs/dbraw/zinc/60/88/02/419608802.db2.gz BWEIWMTZAJLYGF-WDEREUQCSA-N 1 3 261.391 -0.391 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000647595160 419618949 /nfs/dbraw/zinc/61/89/49/419618949.db2.gz QXFWTSHKBWNOKP-DMDPSCGWSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000647595062 419620708 /nfs/dbraw/zinc/62/07/08/419620708.db2.gz LMNMSXAWJUUUCC-QJPTWQEYSA-N 1 3 296.415 -0.005 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)[C@H]1CNCCC1(F)F ZINC000647605678 419622389 /nfs/dbraw/zinc/62/23/89/419622389.db2.gz KMCFVCFEBSZNQI-LLVKDONJSA-N 1 3 290.358 -0.357 20 0 CBADHO Cc1cnn(CCN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000312336855 419622971 /nfs/dbraw/zinc/62/29/71/419622971.db2.gz KDAHSZYWBVWYNY-CYBMUJFWSA-N 1 3 279.388 -0.022 20 0 CBADHO Nc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000647828788 419664735 /nfs/dbraw/zinc/66/47/35/419664735.db2.gz FQPWTXYYXSTCMB-GFCCVEGCSA-N 1 3 277.372 -0.049 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOC[C@@H]2CCCO2)C1 ZINC000647828570 419666167 /nfs/dbraw/zinc/66/61/67/419666167.db2.gz MVTHAJUBIFQYBU-KBPBESRZSA-N 1 3 299.415 -0.031 20 0 CBADHO CN(CCCS(=O)(=O)N(C)C)CCN1CC[NH2+]CC1 ZINC000647835634 419666280 /nfs/dbraw/zinc/66/62/80/419666280.db2.gz GKZLFTRGUOHESE-UHFFFAOYSA-N 1 3 292.449 -0.895 20 0 CBADHO CN(CCN1CC[NH2+]CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000647836247 419667008 /nfs/dbraw/zinc/66/70/08/419667008.db2.gz VMGBXAQJALMRMR-GASCZTMLSA-N 1 3 282.432 -0.313 20 0 CBADHO CN(CCC[NH3+])CCCN1C(=O)NC(C)(C)C1=O ZINC000647848631 419667635 /nfs/dbraw/zinc/66/76/35/419667635.db2.gz ZZFGTIJHHMQMAG-UHFFFAOYSA-N 1 3 256.350 -0.013 20 0 CBADHO CC1(C)CNCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000647841473 419667849 /nfs/dbraw/zinc/66/78/49/419667849.db2.gz WIAPIZXOQVMMRE-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000662668077 419673044 /nfs/dbraw/zinc/67/30/44/419673044.db2.gz ADPBBLWYRWXAQV-VXGBXAGGSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000647876975 419678606 /nfs/dbraw/zinc/67/86/06/419678606.db2.gz FNRRZJPQSFVYRF-AEJSXWLSSA-N 1 3 277.315 -0.194 20 0 CBADHO CN1CCN(C(=O)[C@H]2CNCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000647874210 419679261 /nfs/dbraw/zinc/67/92/61/419679261.db2.gz IMHAKJVDTTXVLD-VHSXEESVSA-N 1 3 276.331 -0.668 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCSC1 ZINC000662681140 419681976 /nfs/dbraw/zinc/68/19/76/419681976.db2.gz BBXJDRMWCQANMV-GVXVVHGQSA-N 1 3 287.429 -0.096 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662685877 419682427 /nfs/dbraw/zinc/68/24/27/419682427.db2.gz ZYHVHEBTHDMUHS-NEPJUHHUSA-N 1 3 273.377 -0.565 20 0 CBADHO CN(C)CCn1cc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cn1 ZINC000662701215 419690885 /nfs/dbraw/zinc/69/08/85/419690885.db2.gz MVJLTDNMZAIGEH-VXGBXAGGSA-N 1 3 281.360 -0.253 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662702997 419692321 /nfs/dbraw/zinc/69/23/21/419692321.db2.gz GCLZKQZCAAEKSI-MNOVXSKESA-N 1 3 259.350 -0.955 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000662702845 419693746 /nfs/dbraw/zinc/69/37/46/419693746.db2.gz NWBUVHYNCNTJQP-USWWRNFRSA-N 1 3 253.346 -0.297 20 0 CBADHO CCCN1CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662704233 419694711 /nfs/dbraw/zinc/69/47/11/419694711.db2.gz XAQUPDSBKHADQU-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CCCN1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662703600 419695215 /nfs/dbraw/zinc/69/52/15/419695215.db2.gz MLJABGLQGOVIAW-SCRDCRAPSA-N 1 3 267.373 -0.177 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662704231 419695320 /nfs/dbraw/zinc/69/53/20/419695320.db2.gz XAQUPDSBKHADQU-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000662703901 419695589 /nfs/dbraw/zinc/69/55/89/419695589.db2.gz QBQLLIAMBCNDCG-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000662703901 419695597 /nfs/dbraw/zinc/69/55/97/419695597.db2.gz QBQLLIAMBCNDCG-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CCCN1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000662703901 419695602 /nfs/dbraw/zinc/69/56/02/419695602.db2.gz QBQLLIAMBCNDCG-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713219 419697566 /nfs/dbraw/zinc/69/75/66/419697566.db2.gz VVDTYPJZYHTWPB-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662721164 419701041 /nfs/dbraw/zinc/70/10/41/419701041.db2.gz KNVFCPZPOLVEPU-SRVKXCTJSA-N 1 3 271.361 -0.813 20 0 CBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662726806 419701070 /nfs/dbraw/zinc/70/10/70/419701070.db2.gz MKOGLTGEZZSHDJ-HAQNSBGRSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCC12CC(C1)C[NH2+]2 ZINC000662726022 419703102 /nfs/dbraw/zinc/70/31/02/419703102.db2.gz YJZFTJVDFPKFFL-QWKFWESOSA-N 1 3 253.346 -0.377 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662758215 419709670 /nfs/dbraw/zinc/70/96/70/419709670.db2.gz OJPMWOZJPBIIOZ-MGPQQGTHSA-N 1 3 298.431 -0.508 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC000662760511 419710348 /nfs/dbraw/zinc/71/03/48/419710348.db2.gz WROHEQWDCHBRRL-MGPQQGTHSA-N 1 3 280.416 -0.038 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000662755950 419711010 /nfs/dbraw/zinc/71/10/10/419711010.db2.gz DNLJJQBAPRCJFG-JHJVBQTASA-N 1 3 268.405 -0.277 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000647757266 419647671 /nfs/dbraw/zinc/64/76/71/419647671.db2.gz FVJJXKZQRJXPMC-JTQLQIEISA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C[C@H]1CNCCO1 ZINC000662633690 419656663 /nfs/dbraw/zinc/65/66/63/419656663.db2.gz NXSQNLXYVUUNCO-ZDUSSCGKSA-N 1 3 286.420 -0.635 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000648110749 419735988 /nfs/dbraw/zinc/73/59/88/419735988.db2.gz MDQJCWRQBQAISD-IUCAKERBSA-N 1 3 263.288 -0.583 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123008 419739609 /nfs/dbraw/zinc/73/96/09/419739609.db2.gz GYQZFRDYOFAVAS-LOWVWBTDSA-N 1 3 282.388 -0.704 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000648128719 419742885 /nfs/dbraw/zinc/74/28/85/419742885.db2.gz LWQRHYVBWGORRH-FOGDFJRCSA-N 1 3 270.377 -0.657 20 0 CBADHO CC[C@@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC[C@@H]1[NH3+] ZINC000648126357 419742967 /nfs/dbraw/zinc/74/29/67/419742967.db2.gz HDMOSJRHPCLDFR-MDZLAQPJSA-N 1 3 284.404 -0.328 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COC1(C)CNC1 ZINC000648132291 419746155 /nfs/dbraw/zinc/74/61/55/419746155.db2.gz YYXLSZANUOCLLV-UWVGGRQHSA-N 1 3 259.325 -0.477 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COC1(C)CNC1 ZINC000648136712 419747542 /nfs/dbraw/zinc/74/75/42/419747542.db2.gz FBROBTMPNZFLGG-SCVCMEIPSA-N 1 3 255.362 -0.132 20 0 CBADHO COC[C@@]1(CNC(=O)COC2(C)CNC2)CCC[NH2+]1 ZINC000648136519 419749165 /nfs/dbraw/zinc/74/91/65/419749165.db2.gz OXWPRFVCPSHWRO-ZDUSSCGKSA-N 1 3 271.361 -0.750 20 0 CBADHO CC(C)(CCC[NH3+])NC(=O)CN1CCCC[C@H](N)C1=O ZINC000648142404 419753879 /nfs/dbraw/zinc/75/38/79/419753879.db2.gz QGCPGMOOJAGCAE-NSHDSACASA-N 1 3 284.404 -0.040 20 0 CBADHO NC1(C(=O)NC[C@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000648148045 419755769 /nfs/dbraw/zinc/75/57/69/419755769.db2.gz ARIRQCVKWOILJQ-CQSZACIVSA-N 1 3 289.379 -0.023 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH3+])CCCC1 ZINC000662863568 419756432 /nfs/dbraw/zinc/75/64/32/419756432.db2.gz UJYWCZLVVBABRW-NSHDSACASA-N 1 3 270.377 -0.526 20 0 CBADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CNCCC1(F)F ZINC000648148200 419758308 /nfs/dbraw/zinc/75/83/08/419758308.db2.gz RKHDLKHRTXPQBJ-NXEZZACHSA-N 1 3 277.315 -0.274 20 0 CBADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CNCCC1(F)F ZINC000648148203 419759826 /nfs/dbraw/zinc/75/98/26/419759826.db2.gz RKHDLKHRTXPQBJ-ZJUUUORDSA-N 1 3 277.315 -0.274 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662940217 419787109 /nfs/dbraw/zinc/78/71/09/419787109.db2.gz KSAFGJUWQMXDNB-UHFFFAOYSA-N 1 3 272.393 -0.408 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939260 419787164 /nfs/dbraw/zinc/78/71/64/419787164.db2.gz MZISIZXFJDHKHL-UHFFFAOYSA-N 1 3 296.415 -0.264 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662928176 419776976 /nfs/dbraw/zinc/77/69/76/419776976.db2.gz LNVZWEMBTUXXCX-MQYJIDSJSA-N 1 3 294.399 -0.511 20 0 CBADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662927892 419779526 /nfs/dbraw/zinc/77/95/26/419779526.db2.gz IABJZFFGCJIPMF-LBPRGKRZSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000662930689 419780637 /nfs/dbraw/zinc/78/06/37/419780637.db2.gz UZSSIVLURQIMAV-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)CCN1CCCC1 ZINC000662930249 419782153 /nfs/dbraw/zinc/78/21/53/419782153.db2.gz NHVXVHLDMPSFNK-UHFFFAOYSA-N 1 3 270.377 -0.652 20 0 CBADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936731 419784764 /nfs/dbraw/zinc/78/47/64/419784764.db2.gz BLRUHLAWUMAZPN-NWDGAFQWSA-N 1 3 298.431 -0.019 20 0 CBADHO CCN(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648863446 419815679 /nfs/dbraw/zinc/81/56/79/419815679.db2.gz CRRLATPSGZPKMM-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO CCN(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648863446 419815681 /nfs/dbraw/zinc/81/56/81/419815681.db2.gz CRRLATPSGZPKMM-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663218050 419829314 /nfs/dbraw/zinc/82/93/14/419829314.db2.gz YBPWCNIEOZLNMH-NEPJUHHUSA-N 1 3 265.357 -0.282 20 0 CBADHO CC(C)[C@H]1CN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC[NH2+]1 ZINC000663222899 419829937 /nfs/dbraw/zinc/82/99/37/419829937.db2.gz OBDFVJDKSMLILB-OLZOCXBDSA-N 1 3 296.415 -0.395 20 0 CBADHO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663218063 419830895 /nfs/dbraw/zinc/83/08/95/419830895.db2.gz YJHOCHLFCVOBLL-PWSUYJOCSA-N 1 3 251.330 -0.813 20 0 CBADHO CC(C)[C@@H]1CN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC[NH2+]1 ZINC000663222901 419830906 /nfs/dbraw/zinc/83/09/06/419830906.db2.gz OBDFVJDKSMLILB-STQMWFEESA-N 1 3 296.415 -0.395 20 0 CBADHO CCCN1CC[C@H]([NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000663366566 419833748 /nfs/dbraw/zinc/83/37/48/419833748.db2.gz WQBBBRODBZYZSI-GJZGRUSLSA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000649074530 419835606 /nfs/dbraw/zinc/83/56/06/419835606.db2.gz LDAPQYOZMUCFDJ-LBPRGKRZSA-N 1 3 296.415 -0.093 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663401366 419836120 /nfs/dbraw/zinc/83/61/20/419836120.db2.gz LSTOJTNSBXHXGU-RYUDHWBXSA-N 1 3 272.393 -0.356 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491968 419841448 /nfs/dbraw/zinc/84/14/48/419841448.db2.gz OPEJBIKRYNSVCS-CYBMUJFWSA-N 1 3 275.352 -0.243 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490511 419842094 /nfs/dbraw/zinc/84/20/94/419842094.db2.gz BKKFDBVIKUSVBL-ABAIWWIYSA-N 1 3 297.399 -0.280 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490513 419843332 /nfs/dbraw/zinc/84/33/32/419843332.db2.gz BKKFDBVIKUSVBL-NHYWBVRUSA-N 1 3 297.399 -0.280 20 0 CBADHO O=C([C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1)N1CCNCC1 ZINC000663496862 419843684 /nfs/dbraw/zinc/84/36/84/419843684.db2.gz ZZPOITZGIACLBO-IJEWVQPXSA-N 1 3 292.427 -0.260 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1(C)C ZINC000663490512 419843801 /nfs/dbraw/zinc/84/38/01/419843801.db2.gz BKKFDBVIKUSVBL-IAQYHMDHSA-N 1 3 297.399 -0.280 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681312 419854961 /nfs/dbraw/zinc/85/49/61/419854961.db2.gz JRIKHPRROZJRSY-RFGFWPKPSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000663681312 419854967 /nfs/dbraw/zinc/85/49/67/419854967.db2.gz JRIKHPRROZJRSY-RFGFWPKPSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000662938641 419788583 /nfs/dbraw/zinc/78/85/83/419788583.db2.gz PGNGZSQQCBMVDZ-NEPJUHHUSA-N 1 3 296.415 -0.123 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662963621 419794601 /nfs/dbraw/zinc/79/46/01/419794601.db2.gz WUSHASPMYUZRMF-LLVKDONJSA-N 1 3 284.404 -0.265 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662963722 419795151 /nfs/dbraw/zinc/79/51/51/419795151.db2.gz WUSHASPMYUZRMF-NSHDSACASA-N 1 3 284.404 -0.265 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000662966111 419795171 /nfs/dbraw/zinc/79/51/71/419795171.db2.gz PIEOZYKRSWEOHI-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963527 419795317 /nfs/dbraw/zinc/79/53/17/419795317.db2.gz UVCBWQPQCOBTQT-AVERBVTBSA-N 1 3 294.399 -0.511 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000662966086 419796265 /nfs/dbraw/zinc/79/62/65/419796265.db2.gz OVUWIXLCYOYTQW-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)COC1(C)CNC1 ZINC000649298929 419872040 /nfs/dbraw/zinc/87/20/40/419872040.db2.gz LXSVEEGSOOLDOS-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)COC1(C)CNC1 ZINC000649298929 419872045 /nfs/dbraw/zinc/87/20/45/419872045.db2.gz LXSVEEGSOOLDOS-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H](NC(=O)[C@]1(N)CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314749 419877887 /nfs/dbraw/zinc/87/78/87/419877887.db2.gz OBWSADNAKSPXLL-RISCZKNCSA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181141 419884135 /nfs/dbraw/zinc/88/41/35/419884135.db2.gz HFWWSNSGIGGDMB-RDBSUJKOSA-N 1 3 296.415 -0.213 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181141 419884139 /nfs/dbraw/zinc/88/41/39/419884139.db2.gz HFWWSNSGIGGDMB-RDBSUJKOSA-N 1 3 296.415 -0.213 20 0 CBADHO COCCN1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649323562 419888402 /nfs/dbraw/zinc/88/84/02/419888402.db2.gz CIRNGZLNVCSCIQ-LLVKDONJSA-N 1 3 271.361 -0.798 20 0 CBADHO CN(CCC[NH+](C)C)CCNc1ccncc1C(N)=O ZINC000664248499 419891242 /nfs/dbraw/zinc/89/12/42/419891242.db2.gz ZERAZHYKGUGCJD-UHFFFAOYSA-N 1 3 279.388 -0.102 20 0 CBADHO CN(C)CCC[N@H+](C)CCNc1ccncc1C(N)=O ZINC000664248499 419891246 /nfs/dbraw/zinc/89/12/46/419891246.db2.gz ZERAZHYKGUGCJD-UHFFFAOYSA-N 1 3 279.388 -0.102 20 0 CBADHO CN(C)CCC[N@@H+](C)CCNc1ccncc1C(N)=O ZINC000664248499 419891251 /nfs/dbraw/zinc/89/12/51/419891251.db2.gz ZERAZHYKGUGCJD-UHFFFAOYSA-N 1 3 279.388 -0.102 20 0 CBADHO C[C@@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761386 544615826 /nfs/dbraw/zinc/61/58/26/544615826.db2.gz BKIZSHBKJUOTDU-NWDGAFQWSA-N 1 3 274.409 -0.062 20 0 CBADHO C[C@@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761386 544615828 /nfs/dbraw/zinc/61/58/28/544615828.db2.gz BKIZSHBKJUOTDU-NWDGAFQWSA-N 1 3 274.409 -0.062 20 0 CBADHO C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)CN1CCN(C)CC1 ZINC000649351416 419904634 /nfs/dbraw/zinc/90/46/34/419904634.db2.gz VXLZXDSCYFGDKO-MQYQWHSLSA-N 1 3 280.416 -0.549 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)COCC[NH3+])CC1 ZINC000649350612 419904730 /nfs/dbraw/zinc/90/47/30/419904730.db2.gz SHQLYZFUHUYFLI-LBPRGKRZSA-N 1 3 272.393 -0.896 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)C1 ZINC000649352760 419905041 /nfs/dbraw/zinc/90/50/41/419905041.db2.gz IUQLPBAOJRCMMR-TUVASFSCSA-N 1 3 292.427 -0.025 20 0 CBADHO C[NH2+]CCN(C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000649418750 419909943 /nfs/dbraw/zinc/90/99/43/419909943.db2.gz WDTAMGKRORGPDP-UHFFFAOYSA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358679873 419912955 /nfs/dbraw/zinc/91/29/55/419912955.db2.gz AZDZMGHPRMVKBR-DGCLKSJQSA-N 1 3 272.393 -0.308 20 0 CBADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000664727397 419914045 /nfs/dbraw/zinc/91/40/45/419914045.db2.gz HLTYRHYMLWBYTI-SNVBAGLBSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000664727828 419914588 /nfs/dbraw/zinc/91/45/88/419914588.db2.gz QZJFIRVAWVVUTH-QWRGUYRKSA-N 1 3 253.346 -0.425 20 0 CBADHO CN1CCC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000669403151 544748681 /nfs/dbraw/zinc/74/86/81/544748681.db2.gz MFNKAOPWFNMUBK-LBPRGKRZSA-N 1 3 269.393 -0.715 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CCO1 ZINC000669403285 544749250 /nfs/dbraw/zinc/74/92/50/544749250.db2.gz RHVSDZIJFZFPIS-TUAOUCFPSA-N 1 3 270.377 -0.162 20 0 CBADHO COCCN(C)CCNC(=O)NCC[NH2+]C1CC1 ZINC000669451983 544749713 /nfs/dbraw/zinc/74/97/13/544749713.db2.gz ARWTTXVCXXIFGU-UHFFFAOYSA-N 1 3 258.366 -0.384 20 0 CBADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669402984 544749725 /nfs/dbraw/zinc/74/97/25/544749725.db2.gz DAEXYIZNPHFXIC-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000669512557 544750778 /nfs/dbraw/zinc/75/07/78/544750778.db2.gz AFKIIJIWRHTUBC-GRYCIOLGSA-N 1 3 254.378 -0.395 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544751005 /nfs/dbraw/zinc/75/10/05/544751005.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 1 3 295.431 -0.245 20 0 CBADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C1CC[NH+](C)CC1 ZINC000672010704 544837710 /nfs/dbraw/zinc/83/77/10/544837710.db2.gz OOWSNIHDBXCBKI-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCC[NH2+]1 ZINC000665294843 419937153 /nfs/dbraw/zinc/93/71/53/419937153.db2.gz XMSPOAAXFZSEDR-PSASIEDQSA-N 1 3 251.334 -0.129 20 0 CBADHO C[C@@H](N)C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230652 419938459 /nfs/dbraw/zinc/93/84/59/419938459.db2.gz SVLRCSUDHZKNCO-ZJUUUORDSA-N 1 3 251.396 -0.017 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NCCCN(C)S(C)(=O)=O ZINC000665230652 419938464 /nfs/dbraw/zinc/93/84/64/419938464.db2.gz SVLRCSUDHZKNCO-ZJUUUORDSA-N 1 3 251.396 -0.017 20 0 CBADHO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000359299594 419957232 /nfs/dbraw/zinc/95/72/32/419957232.db2.gz GMGQQCLRNDUXJW-STQMWFEESA-N 1 3 292.427 -0.119 20 0 CBADHO COCCNCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652211928 420050953 /nfs/dbraw/zinc/05/09/53/420050953.db2.gz PRDMJBLYRDRJPB-UHFFFAOYSA-N 1 3 272.393 -0.089 20 0 CBADHO COCCNCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652211809 420051568 /nfs/dbraw/zinc/05/15/68/420051568.db2.gz LOODYRDYVNESCP-JSGCOSHPSA-N 1 3 284.404 -0.007 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000365105208 420055051 /nfs/dbraw/zinc/05/50/51/420055051.db2.gz NKEJSYXJZBKSRJ-SYEHKZFSSA-N 1 3 267.373 -0.038 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336922 420056680 /nfs/dbraw/zinc/05/66/80/420056680.db2.gz OWCJWSHWYNZXRR-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336922 420056683 /nfs/dbraw/zinc/05/66/83/420056683.db2.gz OWCJWSHWYNZXRR-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652318154 420057092 /nfs/dbraw/zinc/05/70/92/420057092.db2.gz OKZPIRPUPDRMGF-AWEZNQCLSA-N 1 3 284.404 -0.258 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652315759 420057278 /nfs/dbraw/zinc/05/72/78/420057278.db2.gz CTDJYHMNAGSGQR-AWEZNQCLSA-N 1 3 286.420 -0.012 20 0 CBADHO C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CNCCO2)cn1 ZINC000652612174 420070154 /nfs/dbraw/zinc/07/01/54/420070154.db2.gz KPFSFWHANIDOSK-GFCCVEGCSA-N 1 3 296.375 -0.445 20 0 CBADHO CN1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](CN)C1 ZINC000653055205 420112022 /nfs/dbraw/zinc/11/20/22/420112022.db2.gz VMXXNIVBMMNXBO-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C)[C@@]1(CNC(=O)[C@H](N)CC[NH+](C)C)CCSC1 ZINC000653110690 420116886 /nfs/dbraw/zinc/11/68/86/420116886.db2.gz QUAMFLWHUGLTBN-DGCLKSJQSA-N 1 3 288.461 -0.181 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105491 420117594 /nfs/dbraw/zinc/11/75/94/420117594.db2.gz YEUTXTKKTLCCIO-SCRDCRAPSA-N 1 3 267.373 -0.177 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116823 420118134 /nfs/dbraw/zinc/11/81/34/420118134.db2.gz VDHBHXYCATYHIM-GUTXKFCHSA-N 1 3 297.399 -0.551 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121984 420118933 /nfs/dbraw/zinc/11/89/33/420118933.db2.gz HYTOAUBXCLZZLJ-VXGBXAGGSA-N 1 3 256.394 -0.277 20 0 CBADHO CCO[C@@H]1CN(C(=O)C[C@H]2CSCCN2)C[C@H]1C[NH3+] ZINC000653247800 420129517 /nfs/dbraw/zinc/12/95/17/420129517.db2.gz RQYCIAWBUSRLOO-GRYCIOLGSA-N 1 3 287.429 -0.096 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000653244128 420130119 /nfs/dbraw/zinc/13/01/19/420130119.db2.gz XYOLTNYUAYFSCJ-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](C)C1 ZINC000368433487 420133002 /nfs/dbraw/zinc/13/30/02/420133002.db2.gz MPFABAJCRQHCAK-MROQNXINSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](C)C1 ZINC000368433489 420133472 /nfs/dbraw/zinc/13/34/72/420133472.db2.gz MPFABAJCRQHCAK-ZDEQEGDKSA-N 1 3 269.389 -0.054 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000368574159 420137020 /nfs/dbraw/zinc/13/70/20/420137020.db2.gz XHQYOKZVPYMHIR-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000368574160 420137638 /nfs/dbraw/zinc/13/76/38/420137638.db2.gz XHQYOKZVPYMHIR-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCC[C@@H](N[C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000653283966 420138807 /nfs/dbraw/zinc/13/88/07/420138807.db2.gz UTEUBTBAZRQVHT-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652684802 420071734 /nfs/dbraw/zinc/07/17/34/420071734.db2.gz XSHYNQBTPHONNM-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000652695234 420072398 /nfs/dbraw/zinc/07/23/98/420072398.db2.gz PRHGVUPCCBLSTL-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H]1[NH3+] ZINC000652733045 420078976 /nfs/dbraw/zinc/07/89/76/420078976.db2.gz ZRTAOKPSGRAFEP-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652732548 420079420 /nfs/dbraw/zinc/07/94/20/420079420.db2.gz NQLBPNNANXJNNT-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652726562 420080280 /nfs/dbraw/zinc/08/02/80/420080280.db2.gz BKKQIAXRBHUBLG-UHFFFAOYSA-N 1 3 284.404 -0.406 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)NCCNc1ccncc1 ZINC000653346096 420141686 /nfs/dbraw/zinc/14/16/86/420141686.db2.gz ILOFVHSOFWYBGY-GFCCVEGCSA-N 1 3 265.361 -0.689 20 0 CBADHO C[C@H]1CN(CCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000370648214 420183270 /nfs/dbraw/zinc/18/32/70/420183270.db2.gz OSAURQQLFGKNPN-IGQOVBAYSA-N 1 3 299.415 -0.285 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654563883 420187718 /nfs/dbraw/zinc/18/77/18/420187718.db2.gz VDIYDPIOBYTHNF-SDDRHHMPSA-N 1 3 270.377 -0.603 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000375252759 420192118 /nfs/dbraw/zinc/19/21/18/420192118.db2.gz MGOXHRDZQIKFPH-SMDDNHRTSA-N 1 3 277.372 0.383 20 0 CBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C(C)C)CC1 ZINC000382461214 420201363 /nfs/dbraw/zinc/20/13/63/420201363.db2.gz XZAGQSNQEOHENA-AWEZNQCLSA-N 1 3 273.421 -0.049 20 0 CBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(C)C)CC1 ZINC000382461214 420201368 /nfs/dbraw/zinc/20/13/68/420201368.db2.gz XZAGQSNQEOHENA-AWEZNQCLSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[C@@](C)(N)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000384183308 420201386 /nfs/dbraw/zinc/20/13/86/420201386.db2.gz RAXBVCJTVYBONK-WCQYABFASA-N 1 3 285.392 -0.199 20 0 CBADHO CC[C@@](C)(N)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183308 420201391 /nfs/dbraw/zinc/20/13/91/420201391.db2.gz RAXBVCJTVYBONK-WCQYABFASA-N 1 3 285.392 -0.199 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000653542041 420149970 /nfs/dbraw/zinc/14/99/70/420149970.db2.gz DKRNQNAYSUFCKG-ZNMIVQPWSA-N 1 3 285.432 -0.170 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000653542041 420149973 /nfs/dbraw/zinc/14/99/73/420149973.db2.gz DKRNQNAYSUFCKG-ZNMIVQPWSA-N 1 3 285.432 -0.170 20 0 CBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000653694685 420158139 /nfs/dbraw/zinc/15/81/39/420158139.db2.gz NNWWWLNOGWDWPZ-HZSPNIEDSA-N 1 3 271.405 -0.439 20 0 CBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000653694685 420158143 /nfs/dbraw/zinc/15/81/43/420158143.db2.gz NNWWWLNOGWDWPZ-HZSPNIEDSA-N 1 3 271.405 -0.439 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000370021501 420170521 /nfs/dbraw/zinc/17/05/21/420170521.db2.gz QLKDLJYBJBXPRO-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395405 420176921 /nfs/dbraw/zinc/17/69/21/420176921.db2.gz LXOQHVXMTXVBCC-FRRDWIJNSA-N 1 3 282.388 -0.459 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395405 420176925 /nfs/dbraw/zinc/17/69/25/420176925.db2.gz LXOQHVXMTXVBCC-FRRDWIJNSA-N 1 3 282.388 -0.459 20 0 CBADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000654429035 420179040 /nfs/dbraw/zinc/17/90/40/420179040.db2.gz FYKGWWOZNCNVLP-FPMFFAJLSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000654429035 420179046 /nfs/dbraw/zinc/17/90/46/420179046.db2.gz FYKGWWOZNCNVLP-FPMFFAJLSA-N 1 3 296.415 -0.071 20 0 CBADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000404765653 420226816 /nfs/dbraw/zinc/22/68/16/420226816.db2.gz MFDQHCQGQSGHMX-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238096 /nfs/dbraw/zinc/23/80/96/420238096.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238101 /nfs/dbraw/zinc/23/81/01/420238101.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238105 /nfs/dbraw/zinc/23/81/05/420238105.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295151 420238107 /nfs/dbraw/zinc/23/81/07/420238107.db2.gz URZRGXZIENWHRI-FRRDWIJNSA-N 1 3 267.373 -0.394 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419018925 420243568 /nfs/dbraw/zinc/24/35/68/420243568.db2.gz CWJSEIRSCAHGGD-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419018927 420244074 /nfs/dbraw/zinc/24/40/74/420244074.db2.gz CWJSEIRSCAHGGD-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCNCC1 ZINC000418937323 420244109 /nfs/dbraw/zinc/24/41/09/420244109.db2.gz KQKXFYAFSWMFJG-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000418948822 420244165 /nfs/dbraw/zinc/24/41/65/420244165.db2.gz QZXIMTWCWZIFRN-QWRGUYRKSA-N 1 3 272.393 -0.456 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419427646 420244752 /nfs/dbraw/zinc/24/47/52/420244752.db2.gz SDBBITIQUHQFNB-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419415247 420244939 /nfs/dbraw/zinc/24/49/39/420244939.db2.gz VCHHVDVTZDOLBM-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419279882 420245898 /nfs/dbraw/zinc/24/58/98/420245898.db2.gz DMOCTUZPBBZBPQ-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000419582140 420246094 /nfs/dbraw/zinc/24/60/94/420246094.db2.gz JEFWNJCXPONDRB-IJLUTSLNSA-N 1 3 296.415 -0.029 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419901831 420247450 /nfs/dbraw/zinc/24/74/50/420247450.db2.gz VDLDYYGRZRVBDT-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420079262 420248393 /nfs/dbraw/zinc/24/83/93/420248393.db2.gz PUEPLFXZHJAPSM-NSHDSACASA-N 1 3 284.404 -0.219 20 0 CBADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345922 420251925 /nfs/dbraw/zinc/25/19/25/420251925.db2.gz WVXDKIMSGLYJTC-OLZOCXBDSA-N 1 3 294.399 -0.734 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655478180 420254333 /nfs/dbraw/zinc/25/43/33/420254333.db2.gz PFXPTGGXAWCADA-DMDPSCGWSA-N 1 3 253.346 -0.519 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COC2(C)CNC2)C1 ZINC000655489021 420255067 /nfs/dbraw/zinc/25/50/67/420255067.db2.gz MAUDVELOOBAXKQ-PHIMTYICSA-N 1 3 255.362 -0.179 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000423204437 420255608 /nfs/dbraw/zinc/25/56/08/420255608.db2.gz AUNCVBJPKPNDQF-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655923687 420277781 /nfs/dbraw/zinc/27/77/81/420277781.db2.gz BICUMWUJFJFQIH-CBAPKCEASA-N 1 3 284.282 -0.758 20 0 CBADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655964516 420283464 /nfs/dbraw/zinc/28/34/64/420283464.db2.gz WLXNWCGODWTMQM-FRRDWIJNSA-N 1 3 282.388 -0.554 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965507 420284932 /nfs/dbraw/zinc/28/49/32/420284932.db2.gz FJYJPHAEHHDART-RVMXOQNASA-N 1 3 282.388 -0.555 20 0 CBADHO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655966411 420284982 /nfs/dbraw/zinc/28/49/82/420284982.db2.gz WGVWXWMBIFKKEC-QNWHQSFQSA-N 1 3 282.388 -0.283 20 0 CBADHO O=C(NCCC1=CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967090 420285464 /nfs/dbraw/zinc/28/54/64/420285464.db2.gz MHHNMAIVPJMXGC-UONOGXRCSA-N 1 3 294.399 -0.243 20 0 CBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967161 420285814 /nfs/dbraw/zinc/28/58/14/420285814.db2.gz OAIMSQMMJFOUNK-WUHRBBMRSA-N 1 3 282.388 -0.555 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516787069 420363935 /nfs/dbraw/zinc/36/39/35/420363935.db2.gz LDSLLELSIJQIGI-QWRGUYRKSA-N 1 3 268.361 -0.983 20 0 CBADHO CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](CN)C1 ZINC000516648846 420361898 /nfs/dbraw/zinc/36/18/98/420361898.db2.gz ATMZFJLGBBTDHT-VXGBXAGGSA-N 1 3 266.389 -0.523 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656021605 420293869 /nfs/dbraw/zinc/29/38/69/420293869.db2.gz CYGZRVHKSIRYHT-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656023665 420293926 /nfs/dbraw/zinc/29/39/26/420293926.db2.gz COSKDWWFTXFBNM-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022000 420294225 /nfs/dbraw/zinc/29/42/25/420294225.db2.gz RHBDHGWGYHAGJZ-SRVKXCTJSA-N 1 3 282.388 -0.417 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000446398360 420294621 /nfs/dbraw/zinc/29/46/21/420294621.db2.gz YFZQWBLUQPCLDD-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028507 420295215 /nfs/dbraw/zinc/29/52/15/420295215.db2.gz LXEKPCQESZATBP-YNEHKIRRSA-N 1 3 294.399 -0.321 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517247080 420373433 /nfs/dbraw/zinc/37/34/33/420373433.db2.gz GIGIPLJXGOBKOA-MNOVXSKESA-N 1 3 268.361 -0.903 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517247081 420373756 /nfs/dbraw/zinc/37/37/56/420373756.db2.gz GIGIPLJXGOBKOA-QWRGUYRKSA-N 1 3 268.361 -0.903 20 0 CBADHO CN(C[C@H]1CCCN(C(=O)CN)C1)C1CC([NH3+])C1 ZINC000517236074 420374415 /nfs/dbraw/zinc/37/44/15/420374415.db2.gz JBLZOXJNCBGJKG-VOMCLLRMSA-N 1 3 254.378 -0.395 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000517342725 420375667 /nfs/dbraw/zinc/37/56/67/420375667.db2.gz OXCKZURONRDAHX-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658522954 420381646 /nfs/dbraw/zinc/38/16/46/420381646.db2.gz RNZWWLLMKFIPDW-UHFFFAOYSA-N 1 3 296.415 -0.439 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000659431863 420418919 /nfs/dbraw/zinc/41/89/19/420418919.db2.gz QRZVBWSRBMHCCF-GFCCVEGCSA-N 1 3 285.436 -0.081 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659447181 420420425 /nfs/dbraw/zinc/42/04/25/420420425.db2.gz XJTVDPGVAAPLGE-VIFPVBQESA-N 1 3 296.375 -0.220 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000659457757 420422332 /nfs/dbraw/zinc/42/23/32/420422332.db2.gz KHKHCIOKDZYJOP-ZDUSSCGKSA-N 1 3 285.436 -0.079 20 0 CBADHO C[NH+](C)CCOCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659484598 420423131 /nfs/dbraw/zinc/42/31/31/420423131.db2.gz PODGTYUTPRKSPJ-GHMZBOCLSA-N 1 3 276.356 -0.355 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCC(C)(C)[NH3+] ZINC000659357568 420415411 /nfs/dbraw/zinc/41/54/11/420415411.db2.gz KBXVXSWGWQIIMK-UHFFFAOYSA-N 1 3 286.420 -0.018 20 0 CBADHO C[C@H](C[NH3+])C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659359342 420416531 /nfs/dbraw/zinc/41/65/31/420416531.db2.gz QJTBNRPJIOYVKJ-SNVBAGLBSA-N 1 3 258.366 -0.940 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CCCC[NH2+]2)n1 ZINC000659508476 420425570 /nfs/dbraw/zinc/42/55/70/420425570.db2.gz QKMDGZKMQROLPK-SECBINFHSA-N 1 3 294.359 -0.418 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659516077 420427161 /nfs/dbraw/zinc/42/71/61/420427161.db2.gz OFOPZCGNQUNBSV-NSHDSACASA-N 1 3 285.392 -0.990 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659522941 420428170 /nfs/dbraw/zinc/42/81/70/420428170.db2.gz POLUOFBFXVDBEY-UHFFFAOYSA-N 1 3 296.375 -0.042 20 0 CBADHO CCCN1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000659546471 420431014 /nfs/dbraw/zinc/43/10/14/420431014.db2.gz CHLGBDFGNMTJMA-NNYUYHANSA-N 1 3 252.362 -0.012 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000659556328 420433418 /nfs/dbraw/zinc/43/34/18/420433418.db2.gz WOJSVUMBNVAIIR-SNVBAGLBSA-N 1 3 256.350 -0.455 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000659750312 420467198 /nfs/dbraw/zinc/46/71/98/420467198.db2.gz BJTXVGBPNNJOND-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750075 420467363 /nfs/dbraw/zinc/46/73/63/420467363.db2.gz MKLRGLRVHNAHRO-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000659753975 420467933 /nfs/dbraw/zinc/46/79/33/420467933.db2.gz CADWBCFTWJQWAR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000659755221 420469055 /nfs/dbraw/zinc/46/90/55/420469055.db2.gz JLJWJVWYAVGLAZ-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437738 /nfs/dbraw/zinc/43/77/38/420437738.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 1 3 283.420 -0.245 20 0 CBADHO CN1CCC[C@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000682615070 545059168 /nfs/dbraw/zinc/05/91/68/545059168.db2.gz YNZQTRRPAROCHG-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000659642070 420442920 /nfs/dbraw/zinc/44/29/20/420442920.db2.gz JCANQHDGGBWKRW-NEPJUHHUSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000566194219 420444116 /nfs/dbraw/zinc/44/41/16/420444116.db2.gz WQIXYVGFTPKCDF-MNOVXSKESA-N 1 3 265.361 0.381 20 0 CBADHO Nc1ncc(CNCCCN2CC[NH2+]CC2)s1 ZINC000566068595 420444761 /nfs/dbraw/zinc/44/47/61/420444761.db2.gz RFPKWQCHZBHPNK-UHFFFAOYSA-N 1 3 255.391 0.110 20 0 CBADHO CCN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659675618 420446728 /nfs/dbraw/zinc/44/67/28/420446728.db2.gz WJKCFTDMKBZBFF-UHFFFAOYSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659677647 420448050 /nfs/dbraw/zinc/44/80/50/420448050.db2.gz GLSJREAZQJUQAP-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000659697005 420451103 /nfs/dbraw/zinc/45/11/03/420451103.db2.gz FTEODYYIYXXHMC-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000659697004 420451250 /nfs/dbraw/zinc/45/12/50/420451250.db2.gz FTEODYYIYXXHMC-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698185 420451539 /nfs/dbraw/zinc/45/15/39/420451539.db2.gz AGFDMGRNGPUWSW-BZUNDVKYSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000659699949 420451575 /nfs/dbraw/zinc/45/15/75/420451575.db2.gz XXYVYSCEOBOJRE-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659704338 420452809 /nfs/dbraw/zinc/45/28/09/420452809.db2.gz KJLDWITVKLBMDW-CMPLNLGQSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659706081 420453322 /nfs/dbraw/zinc/45/33/22/420453322.db2.gz GXSNFHUDMLSXRD-GFCCVEGCSA-N 1 3 286.420 -0.066 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH2+]CC)C1 ZINC000659709215 420453883 /nfs/dbraw/zinc/45/38/83/420453883.db2.gz ADQNIZDHSHWEOO-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709267 420453987 /nfs/dbraw/zinc/45/39/87/420453987.db2.gz GMMMKCZGUFOFAE-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711718 420454879 /nfs/dbraw/zinc/45/48/79/420454879.db2.gz CQCZFNUCKQCHMI-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000659710457 420455173 /nfs/dbraw/zinc/45/51/73/420455173.db2.gz PRVNKKYLFLLHTN-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)no1 ZINC000572038833 420456936 /nfs/dbraw/zinc/45/69/36/420456936.db2.gz KEOJEPLYCMZJNM-GFCCVEGCSA-N 1 3 296.371 0.358 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715956 420456973 /nfs/dbraw/zinc/45/69/73/420456973.db2.gz UBDGNDAYGWXTJD-NWDGAFQWSA-N 1 3 282.388 -0.560 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714711 420457125 /nfs/dbraw/zinc/45/71/25/420457125.db2.gz LWVAXLJAYJZFDQ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000659718025 420457858 /nfs/dbraw/zinc/45/78/58/420457858.db2.gz LKECKIRAJIJQLN-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659716260 420457891 /nfs/dbraw/zinc/45/78/91/420457891.db2.gz VVHACMRSBFGWAL-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659716134 420457908 /nfs/dbraw/zinc/45/79/08/420457908.db2.gz WIEVZNSGQZQBLC-NEPJUHHUSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659716135 420458059 /nfs/dbraw/zinc/45/80/59/420458059.db2.gz WIEVZNSGQZQBLC-NWDGAFQWSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659719470 420458883 /nfs/dbraw/zinc/45/88/83/420458883.db2.gz YMOCJJIVWCTECW-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659720270 420459273 /nfs/dbraw/zinc/45/92/73/420459273.db2.gz RXRZQZUPIIPKMH-NWDGAFQWSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659719660 420459442 /nfs/dbraw/zinc/45/94/42/420459442.db2.gz JJLPZQHLTCKPSS-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659726256 420459822 /nfs/dbraw/zinc/45/98/22/420459822.db2.gz IQABSBFBGSKMLD-AVGNSLFASA-N 1 3 296.415 -0.156 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659726258 420460369 /nfs/dbraw/zinc/46/03/69/420460369.db2.gz IQABSBFBGSKMLD-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659725988 420460454 /nfs/dbraw/zinc/46/04/54/420460454.db2.gz GJCXNSSNYOHXFQ-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732479 420462421 /nfs/dbraw/zinc/46/24/21/420462421.db2.gz OMJKJZMWVNEKLM-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659738870 420463020 /nfs/dbraw/zinc/46/30/20/420463020.db2.gz JKAJTEPEGWLAKB-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000659738287 420463091 /nfs/dbraw/zinc/46/30/91/420463091.db2.gz DHIJTGZELJVVQH-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000659738276 420463335 /nfs/dbraw/zinc/46/33/35/420463335.db2.gz DGKIDVFMPMNNHF-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000659738281 420463461 /nfs/dbraw/zinc/46/34/61/420463461.db2.gz DGZVYXTZNWPHJU-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000659739306 420464242 /nfs/dbraw/zinc/46/42/42/420464242.db2.gz QMSGXKYVNMDCIF-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739299 420464507 /nfs/dbraw/zinc/46/45/07/420464507.db2.gz QLBPHKAIAZTFRO-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659739045 420464763 /nfs/dbraw/zinc/46/47/63/420464763.db2.gz MAAIDTMFSGNZQF-FRRDWIJNSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517338037 260148640 /nfs/dbraw/zinc/14/86/40/260148640.db2.gz BEYFXGUMXGYHNI-XBFCOCLRSA-N 1 3 295.431 -0.328 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCC(N)=O ZINC000517813655 260307975 /nfs/dbraw/zinc/30/79/75/260307975.db2.gz XNDFAOZLBZDZBD-UHFFFAOYSA-N 1 3 272.393 -0.406 20 0 CBADHO NC(=O)NC(=O)CCNCC1([NH+]2CCCC2)CCOCC1 ZINC000518362908 260383833 /nfs/dbraw/zinc/38/38/33/260383833.db2.gz VCWDSVCJURTQRF-UHFFFAOYSA-N 1 3 298.387 -0.194 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000518945856 265238733 /nfs/dbraw/zinc/23/87/33/265238733.db2.gz AFIQHNJUSAWTAJ-NSHDSACASA-N 1 3 282.388 -0.832 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000518945856 265238739 /nfs/dbraw/zinc/23/87/39/265238739.db2.gz AFIQHNJUSAWTAJ-NSHDSACASA-N 1 3 282.388 -0.832 20 0 CBADHO C[C@@H](CNC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000519387566 265412798 /nfs/dbraw/zinc/41/27/98/265412798.db2.gz LMKXLTWVFVUWFN-REWJHTLYSA-N 1 3 273.421 -0.004 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000519654683 265521263 /nfs/dbraw/zinc/52/12/63/265521263.db2.gz VWRQQBMAUMHLLX-NEPJUHHUSA-N 1 3 253.346 -0.282 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(O)CCN(C)CC1 ZINC000520226254 265691822 /nfs/dbraw/zinc/69/18/22/265691822.db2.gz FGMPSEUVZQOQEX-WDEREUQCSA-N 1 3 272.393 -0.132 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237891905 269581446 /nfs/dbraw/zinc/58/14/46/269581446.db2.gz BZVSVOGRNTYCCG-VXGBXAGGSA-N 1 3 282.388 -0.558 20 0 CBADHO CC[C@H](C)[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343611882 287650987 /nfs/dbraw/zinc/65/09/87/287650987.db2.gz YPAMYEGXVAFVKK-RWMBFGLXSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN)CC1 ZINC000237431313 287684242 /nfs/dbraw/zinc/68/42/42/287684242.db2.gz OCTXOWJSOJKMPR-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187885929 276173230 /nfs/dbraw/zinc/17/32/30/276173230.db2.gz IFUUOHIOAGXXPC-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419741747 276326686 /nfs/dbraw/zinc/32/66/86/276326686.db2.gz ZKTNNNYEBNTLJJ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011287 276378338 /nfs/dbraw/zinc/37/83/38/276378338.db2.gz YQJTXITZNLIWDO-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459898160 276759874 /nfs/dbraw/zinc/75/98/74/276759874.db2.gz OSKMLQVUSRACIQ-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000423625975 276779700 /nfs/dbraw/zinc/77/97/00/276779700.db2.gz RVIWNDUMMTVZTG-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000419584470 277295429 /nfs/dbraw/zinc/29/54/29/277295429.db2.gz KVBOVYXNCDLOQH-WDEREUQCSA-N 1 3 282.388 -0.594 20 0 CBADHO CC(C)([NH3+])CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418409890 277307379 /nfs/dbraw/zinc/30/73/79/277307379.db2.gz ATDUGXJZHYCRFL-LLVKDONJSA-N 1 3 272.393 -0.130 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000342765446 277319925 /nfs/dbraw/zinc/31/99/25/277319925.db2.gz OJZPACZCIJZMMJ-WOPDTQHZSA-N 1 3 283.372 -0.038 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000342765446 277319927 /nfs/dbraw/zinc/31/99/27/277319927.db2.gz OJZPACZCIJZMMJ-WOPDTQHZSA-N 1 3 283.372 -0.038 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)COC2CNC2)C[C@@H]1C[NH3+] ZINC000424051311 278005091 /nfs/dbraw/zinc/00/50/91/278005091.db2.gz IZYBUFSOXLHLRG-VWYCJHECSA-N 1 3 255.362 -0.193 20 0 CBADHO C[C@@H]1C[C@H](C)N(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422561156 278006167 /nfs/dbraw/zinc/00/61/67/278006167.db2.gz JKLKQOUZNKWRFS-GRYCIOLGSA-N 1 3 294.399 -0.111 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C1CC1 ZINC000419591443 278268704 /nfs/dbraw/zinc/26/87/04/278268704.db2.gz RCXHDZXANKAGIQ-GRYCIOLGSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000351518589 278270073 /nfs/dbraw/zinc/27/00/73/278270073.db2.gz CRBGHLVSYSMVDF-JQWIXIFHSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375976294 278526244 /nfs/dbraw/zinc/52/62/44/278526244.db2.gz UFUORWCVYJJPIS-NWDGAFQWSA-N 1 3 268.405 -0.134 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000514670823 278547304 /nfs/dbraw/zinc/54/73/04/278547304.db2.gz KTQKSHHUOJARLJ-OLZOCXBDSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364032665 278565333 /nfs/dbraw/zinc/56/53/33/278565333.db2.gz DHTYCNFKWXZPHO-KCJUWKMLSA-N 1 3 263.345 -0.217 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419849211 278857165 /nfs/dbraw/zinc/85/71/65/278857165.db2.gz XYHDESZKCGJZFE-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418937896 279114536 /nfs/dbraw/zinc/11/45/36/279114536.db2.gz LFBBLASRCGWFGF-UPJWGTAASA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370973 288120901 /nfs/dbraw/zinc/12/09/01/288120901.db2.gz MJWWUERTUUNDJR-WSLQDRLSSA-N 1 3 264.373 -0.014 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419576804 279325706 /nfs/dbraw/zinc/32/57/06/279325706.db2.gz CKGGVORZRTZWKX-CKYFFXLPSA-N 1 3 282.388 -0.609 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)C ZINC000449695610 280173250 /nfs/dbraw/zinc/17/32/50/280173250.db2.gz IVKURAKWQIJRFM-NWDGAFQWSA-N 1 3 256.394 -0.408 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515224656 288306660 /nfs/dbraw/zinc/30/66/60/288306660.db2.gz WYSMKDYLTXDPPL-KGYLQXTDSA-N 1 3 294.399 -0.465 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CCO1 ZINC000376622875 282018825 /nfs/dbraw/zinc/01/88/25/282018825.db2.gz XYQUNMPVGFPZSE-BTDICHCPSA-N 1 3 255.362 -0.107 20 0 CBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424150229 288944764 /nfs/dbraw/zinc/94/47/64/288944764.db2.gz YLNAJOGAEXIWEU-NEPJUHHUSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCC(O)(CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492040244 289040543 /nfs/dbraw/zinc/04/05/43/289040543.db2.gz KYMBWALOIGIYKG-PLNGDYQASA-N 1 3 255.362 -0.323 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCN1C ZINC000418002232 289056803 /nfs/dbraw/zinc/05/68/03/289056803.db2.gz MCMWVOVQRZRUAQ-ZIQFBCGOSA-N 1 3 252.362 -0.014 20 0 CBADHO CN(C)CCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000357237059 289160643 /nfs/dbraw/zinc/16/06/43/289160643.db2.gz FDAZYXNDMUXQQP-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423764959 289216828 /nfs/dbraw/zinc/21/68/28/289216828.db2.gz WIKCYYJHAPDHEE-NWDGAFQWSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(C)[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137479 289316888 /nfs/dbraw/zinc/31/68/88/289316888.db2.gz LLJDNHKYHGDQKJ-VXGBXAGGSA-N 1 3 292.387 -0.021 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418763050 289370073 /nfs/dbraw/zinc/37/00/73/289370073.db2.gz JIAZIRVSHCNMMQ-RYUDHWBXSA-N 1 3 270.377 -0.290 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000423228093 289645690 /nfs/dbraw/zinc/64/56/90/289645690.db2.gz YDOYECNKXWOLSZ-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CN1CCN([C@@H]2CCCCN(C(=O)C3C[NH2+]C3)C2)CC1 ZINC000367828490 290054726 /nfs/dbraw/zinc/05/47/26/290054726.db2.gz UUFLUMLACDPIBT-CQSZACIVSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCNC2=O)CC1 ZINC000245681669 290085127 /nfs/dbraw/zinc/08/51/27/290085127.db2.gz KZRSLRSXDMKSQD-AAEUAGOBSA-N 1 3 269.389 -0.101 20 0 CBADHO CN1CC[C@]2(CC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707175 290252231 /nfs/dbraw/zinc/25/22/31/290252231.db2.gz LRWOZKDWOWYLBU-NSHDSACASA-N 1 3 261.391 -0.307 20 0 CBADHO CN1CC[C@]2(CC[N@@H+](CCCS(N)(=O)=O)C2)C1 ZINC000336707175 290252233 /nfs/dbraw/zinc/25/22/33/290252233.db2.gz LRWOZKDWOWYLBU-NSHDSACASA-N 1 3 261.391 -0.307 20 0 CBADHO NC(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000515840271 295291927 /nfs/dbraw/zinc/29/19/27/295291927.db2.gz JCKWMQCWAVIRBA-IUCAKERBSA-N 1 3 280.294 -0.618 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332196345 295317638 /nfs/dbraw/zinc/31/76/38/295317638.db2.gz QNMGWJLAUOPVJH-OLZOCXBDSA-N 1 3 294.399 -0.367 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332196343 295317776 /nfs/dbraw/zinc/31/77/76/295317776.db2.gz QNMGWJLAUOPVJH-CHWSQXEVSA-N 1 3 294.399 -0.367 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562205 295549163 /nfs/dbraw/zinc/54/91/63/295549163.db2.gz JSAJXCMWNOKXLE-STQMWFEESA-N 1 3 298.456 -0.412 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000333773903 297113009 /nfs/dbraw/zinc/11/30/09/297113009.db2.gz CLXHNRKLOYRCOK-NWDGAFQWSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@H](CC(=O)N(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000341277666 298279832 /nfs/dbraw/zinc/27/98/32/298279832.db2.gz MKVYHOILRVJTTN-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419231886 298523074 /nfs/dbraw/zinc/52/30/74/298523074.db2.gz DGTYHMBNKVTFGT-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029316 300231638 /nfs/dbraw/zinc/23/16/38/300231638.db2.gz QLTSJAQAXIMMOT-GWCFXTLKSA-N 1 3 267.373 -0.036 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCC1 ZINC000515814666 303357297 /nfs/dbraw/zinc/35/72/97/303357297.db2.gz PWUBFDSIKCVXBL-LBPRGKRZSA-N 1 3 294.399 -0.319 20 0 CBADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418637649 303380544 /nfs/dbraw/zinc/38/05/44/303380544.db2.gz NUJONYHZTRBGBK-AWEZNQCLSA-N 1 3 292.383 -0.164 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000132201122 303382731 /nfs/dbraw/zinc/38/27/31/303382731.db2.gz JHGYFHMQYBOIPF-ZWNOBZJWSA-N 1 3 286.351 -0.999 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@@H](N2CC=CC2)C1 ZINC000418666935 303926114 /nfs/dbraw/zinc/92/61/14/303926114.db2.gz FRPCMZNLKPDCSX-NDBYEHHHSA-N 1 3 262.357 -0.140 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000580312530 327780876 /nfs/dbraw/zinc/78/08/76/327780876.db2.gz WBOHTBDCEMNMOS-JQWIXIFHSA-N 1 3 270.377 -0.798 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563116116 327925819 /nfs/dbraw/zinc/92/58/19/327925819.db2.gz ZIUDNWASYXTLMU-NXEZZACHSA-N 1 3 279.344 -0.795 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CCN2C1=O ZINC000563451719 328066307 /nfs/dbraw/zinc/06/63/07/328066307.db2.gz MJTUVLCYPWNMCO-RHYQMDGZSA-N 1 3 295.387 -0.933 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441532 328066449 /nfs/dbraw/zinc/06/64/49/328066449.db2.gz MBYBDMFSBXQIAE-NEPJUHHUSA-N 1 3 292.383 -0.569 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000563457597 328067771 /nfs/dbraw/zinc/06/77/71/328067771.db2.gz NECUSVYBHPXDDV-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000563597506 328076093 /nfs/dbraw/zinc/07/60/93/328076093.db2.gz XSKWOPKYIXYZCX-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000563597506 328076095 /nfs/dbraw/zinc/07/60/95/328076095.db2.gz XSKWOPKYIXYZCX-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN(CC[NH2+]C[C@H](O)CN1CCN(C)CC1)C1CC1 ZINC000563617195 328077133 /nfs/dbraw/zinc/07/71/33/328077133.db2.gz DGFPJRKSXPDWGI-HNNXBMFYSA-N 1 3 284.448 -0.331 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000571149650 328088193 /nfs/dbraw/zinc/08/81/93/328088193.db2.gz MZDPUEWZLKNUGQ-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)COC2CNC2)CC1 ZINC000571164674 328089814 /nfs/dbraw/zinc/08/98/14/328089814.db2.gz VDJQRNYSRZRGHN-HIFRSBDPSA-N 1 3 297.399 -0.280 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571283968 328097791 /nfs/dbraw/zinc/09/77/91/328097791.db2.gz JQBTWOURADSYPQ-IJLUTSLNSA-N 1 3 284.404 -0.171 20 0 CBADHO CO[C@H](CN)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000571401112 328119076 /nfs/dbraw/zinc/11/90/76/328119076.db2.gz POKVQZOVQXLSRH-POYBYMJQSA-N 1 3 270.358 -0.129 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000388787991 328303497 /nfs/dbraw/zinc/30/34/97/328303497.db2.gz NVCIURFNNJKWJK-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000583497821 328584841 /nfs/dbraw/zinc/58/48/41/328584841.db2.gz 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/nfs/dbraw/zinc/37/76/63/327377663.db2.gz YRXNSVBUDDZWTM-UTUOFQBUSA-N 1 3 297.403 -0.720 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566497211 327399630 /nfs/dbraw/zinc/39/96/30/327399630.db2.gz XZAWKCTVFFXOLV-RWMBFGLXSA-N 1 3 294.399 -0.369 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566497211 327399631 /nfs/dbraw/zinc/39/96/31/327399631.db2.gz XZAWKCTVFFXOLV-RWMBFGLXSA-N 1 3 294.399 -0.369 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000562829594 327518181 /nfs/dbraw/zinc/51/81/81/327518181.db2.gz URFYCHDGANKLHW-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)CCN1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000572758329 327586330 /nfs/dbraw/zinc/58/63/30/327586330.db2.gz HAQMJKUIQYNVPL-UHFFFAOYSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000582545089 329104890 /nfs/dbraw/zinc/10/48/90/329104890.db2.gz LSTJBQRKIKBRHB-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO CO[C@@H](CN)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000582720614 329130076 /nfs/dbraw/zinc/13/00/76/329130076.db2.gz ZKPGZUDGOKJHOV-XQQFMLRXSA-N 1 3 263.341 -0.168 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)NCCN(C)C1CC1 ZINC000582916565 329288612 /nfs/dbraw/zinc/28/86/12/329288612.db2.gz VRYZJRJFHRSDID-UHFFFAOYSA-N 1 3 256.350 -0.996 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000583202220 329361542 /nfs/dbraw/zinc/36/15/42/329361542.db2.gz HNLOKANVYCQAHC-QJPTWQEYSA-N 1 3 253.346 -0.425 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000583813253 329482040 /nfs/dbraw/zinc/48/20/40/329482040.db2.gz GXKPDCGJBDSLAS-KOLCDFICSA-N 1 3 256.350 -0.964 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000584530569 329514002 /nfs/dbraw/zinc/51/40/02/329514002.db2.gz AIHJCUXKPWEYRG-NXEZZACHSA-N 1 3 257.334 -0.537 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000572252790 329960728 /nfs/dbraw/zinc/96/07/28/329960728.db2.gz UXZRMCDJWNXHET-AWEZNQCLSA-N 1 3 299.415 -0.018 20 0 CBADHO C[C@H]1C[N@H+](CCCNCCC(=O)NC(N)=O)CCCO1 ZINC000572357112 330001129 /nfs/dbraw/zinc/00/11/29/330001129.db2.gz DIPPBCURNVICML-NSHDSACASA-N 1 3 286.376 -0.338 20 0 CBADHO C[C@H]1C[N@@H+](CCCNCCC(=O)NC(N)=O)CCCO1 ZINC000572357112 330001131 /nfs/dbraw/zinc/00/11/31/330001131.db2.gz DIPPBCURNVICML-NSHDSACASA-N 1 3 286.376 -0.338 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572361961 330002429 /nfs/dbraw/zinc/00/24/29/330002429.db2.gz LKVSGCQYHYPHQD-RKDXNWHRSA-N 1 3 282.310 -0.324 20 0 CBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CNC1)CC(C)C ZINC000580533490 335107659 /nfs/dbraw/zinc/10/76/59/335107659.db2.gz QQDXQJRAZVIPNA-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CCN2C1=O ZINC000575762806 335113117 /nfs/dbraw/zinc/11/31/17/335113117.db2.gz GWSRDKQZPUQWNY-UMSGYPCISA-N 1 3 294.399 -0.336 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576092316 335152057 /nfs/dbraw/zinc/15/20/57/335152057.db2.gz HLMXRUPAASQVGR-IJLUTSLNSA-N 1 3 254.378 -0.606 20 0 CBADHO [NH3+]CC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000564655290 334514445 /nfs/dbraw/zinc/51/44/45/334514445.db2.gz HCRJJOBKTZPDKW-LBPRGKRZSA-N 1 3 255.362 -0.048 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000564726589 334518153 /nfs/dbraw/zinc/51/81/53/334518153.db2.gz NMTVOISCSLIROO-OAHLLOKOSA-N 1 3 298.431 -0.634 20 0 CBADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565372383 334557319 /nfs/dbraw/zinc/55/73/19/334557319.db2.gz NYRUFJSQIDBOBQ-LPEHRKFASA-N 1 3 268.361 -0.870 20 0 CBADHO CC(C)(N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000565656367 334584952 /nfs/dbraw/zinc/58/49/52/334584952.db2.gz NBLWPKJBRIXBLR-VIFPVBQESA-N 1 3 256.350 -0.963 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000566296076 334641199 /nfs/dbraw/zinc/64/11/99/334641199.db2.gz OUHDRAFXKMHLPO-MELADBBJSA-N 1 3 298.431 -0.495 20 0 CBADHO C[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000566679132 334660137 /nfs/dbraw/zinc/66/01/37/334660137.db2.gz ONGMJEITKVIHAB-MRVPVSSYSA-N 1 3 286.357 -0.791 20 0 CBADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568267880 334810668 /nfs/dbraw/zinc/81/06/68/334810668.db2.gz NWACLHHXCOHABE-CYDGBPFRSA-N 1 3 294.399 -0.609 20 0 CBADHO CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568267711 334810837 /nfs/dbraw/zinc/81/08/37/334810837.db2.gz LONQKSREJCTVAB-GMTAPVOTSA-N 1 3 268.361 -0.855 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569220766 334861909 /nfs/dbraw/zinc/86/19/09/334861909.db2.gz DCGAOTYHIOEYGP-FRRDWIJNSA-N 1 3 267.373 -0.177 20 0 CBADHO CC(C)(N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572716534 334873554 /nfs/dbraw/zinc/87/35/54/334873554.db2.gz XDAISQOEJQHUNU-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)(N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000572716532 334873613 /nfs/dbraw/zinc/87/36/13/334873613.db2.gz XDAISQOEJQHUNU-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO COC[C@]1(CNC(=O)[C@H](N)C2CCC2)CCC[NH2+]1 ZINC000572760513 334876218 /nfs/dbraw/zinc/87/62/18/334876218.db2.gz UAFYDFVSYZSJRB-DGCLKSJQSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)CN1 ZINC000576374238 335196114 /nfs/dbraw/zinc/19/61/14/335196114.db2.gz VNCDZBKVDQYTKA-UTUOFQBUSA-N 1 3 269.393 -0.718 20 0 CBADHO C1C[C@@H]([C@@H]2COCCN2)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000576399515 335198983 /nfs/dbraw/zinc/19/89/83/335198983.db2.gz MUEVPHQCOWDXRZ-BSOLPCOYSA-N 1 3 251.374 -0.049 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000576480853 335210419 /nfs/dbraw/zinc/21/04/19/335210419.db2.gz WMZGWODCMAIZPC-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000576634779 335228463 /nfs/dbraw/zinc/22/84/63/335228463.db2.gz HZBFJTWBSWQTIY-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[C@H](O)CN1 ZINC000576703834 335237333 /nfs/dbraw/zinc/23/73/33/335237333.db2.gz SVIIFYSSEBDWJA-NWDGAFQWSA-N 1 3 291.355 -0.848 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC[NH2+]1 ZINC000580561843 335281854 /nfs/dbraw/zinc/28/18/54/335281854.db2.gz ZSPVVPKYYAQMDM-SDDRHHMPSA-N 1 3 254.378 -0.524 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000577062360 335293559 /nfs/dbraw/zinc/29/35/59/335293559.db2.gz HOAIRPAMXMIYFR-LLVKDONJSA-N 1 3 271.361 -0.274 20 0 CBADHO C[C@]1(CNC(=O)C[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000577176430 335316254 /nfs/dbraw/zinc/31/62/54/335316254.db2.gz PRHYWXUWLYGJFJ-AAEUAGOBSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)C1C[NH2+]C1 ZINC000577219882 335325051 /nfs/dbraw/zinc/32/50/51/335325051.db2.gz HUGGLPVREOLQRF-MRVPVSSYSA-N 1 3 279.348 -0.992 20 0 CBADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000577509815 335362532 /nfs/dbraw/zinc/36/25/32/335362532.db2.gz UDBBQGRPVCLKCV-RYUDHWBXSA-N 1 3 295.387 -0.966 20 0 CBADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000577509815 335362533 /nfs/dbraw/zinc/36/25/33/335362533.db2.gz UDBBQGRPVCLKCV-RYUDHWBXSA-N 1 3 295.387 -0.966 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374879 335371310 /nfs/dbraw/zinc/37/13/10/335371310.db2.gz HVAWCROAWMSZQG-LLVKDONJSA-N 1 3 299.419 -0.472 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCC1=CC[NH2+]CC1 ZINC000577601563 335376192 /nfs/dbraw/zinc/37/61/92/335376192.db2.gz VOZQGUQIWXSVRE-LBPRGKRZSA-N 1 3 253.346 -0.209 20 0 CBADHO COCCNCC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000577866599 335414453 /nfs/dbraw/zinc/41/44/53/335414453.db2.gz WLMPFEZRXVERSG-CYBMUJFWSA-N 1 3 287.404 -0.569 20 0 CBADHO COCCNCC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000577866600 335414577 /nfs/dbraw/zinc/41/45/77/335414577.db2.gz WLMPFEZRXVERSG-ZDUSSCGKSA-N 1 3 287.404 -0.569 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000578352323 335618041 /nfs/dbraw/zinc/61/80/41/335618041.db2.gz SJVJDNMYVFAEQL-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000578507463 335642705 /nfs/dbraw/zinc/64/27/05/335642705.db2.gz RUFWTDCDQAOMBM-GHMZBOCLSA-N 1 3 296.415 -0.029 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000578509025 335642794 /nfs/dbraw/zinc/64/27/94/335642794.db2.gz OQJCLVCRANGJHO-QJPTWQEYSA-N 1 3 255.362 -0.049 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767410 335672787 /nfs/dbraw/zinc/67/27/87/335672787.db2.gz UILONALXMVBSMM-UTUOFQBUSA-N 1 3 280.372 -0.711 20 0 CBADHO CC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000579025979 335702331 /nfs/dbraw/zinc/70/23/31/335702331.db2.gz OOTQWHAXLCTXDH-JTNHKYCSSA-N 1 3 280.372 -0.711 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2C[NH2+]CCN2C)C1(C)C ZINC000581011441 335996302 /nfs/dbraw/zinc/99/63/02/335996302.db2.gz QRUNANVPLOZDAA-JMSVASOKSA-N 1 3 298.431 -0.461 20 0 CBADHO C[C@@H](C(=O)NC(N)=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381057471 336047406 /nfs/dbraw/zinc/04/74/06/336047406.db2.gz UHGOBESFQOANEZ-LPEHRKFASA-N 1 3 254.334 -0.499 20 0 CBADHO COC(=O)CCN(CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000581370578 336063016 /nfs/dbraw/zinc/06/30/16/336063016.db2.gz DEDCEXGFXWCZLO-AWEZNQCLSA-N 1 3 299.415 -0.064 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC[NH2+]1 ZINC000581381122 336065744 /nfs/dbraw/zinc/06/57/44/336065744.db2.gz RAPVUFLIKLNUQC-COPLHBTASA-N 1 3 280.372 -0.711 20 0 CBADHO C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CCN(C)CC1 ZINC000382974060 336100464 /nfs/dbraw/zinc/10/04/64/336100464.db2.gz SAPZSLYSBCIZPI-LBPRGKRZSA-N 1 3 268.405 -0.119 20 0 CBADHO COC1(C(=O)N2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC000581727203 336138540 /nfs/dbraw/zinc/13/85/40/336138540.db2.gz PQEGDDFJOAYJHY-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000567716807 517641249 /nfs/dbraw/zinc/64/12/49/517641249.db2.gz HBTJKEMRPIVKOK-LLVKDONJSA-N 1 3 268.361 -0.983 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(C2CC2)C1 ZINC000354694008 534426518 /nfs/dbraw/zinc/42/65/18/534426518.db2.gz PSTGQGIQYXMZBW-WCQYABFASA-N 1 3 294.399 -0.402 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000220941382 521631216 /nfs/dbraw/zinc/63/12/16/521631216.db2.gz QBFASUNBUKHKGP-UTUOFQBUSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)CN1CCOCC1 ZINC000049557257 524475070 /nfs/dbraw/zinc/47/50/70/524475070.db2.gz UFADBTMQKHIKOR-QWHCGFSZSA-N 1 3 259.394 -0.391 20 0 CBADHO CCN(CC)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529902 528087140 /nfs/dbraw/zinc/08/71/40/528087140.db2.gz JLLVBIFZTDLEJO-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357229897 535726683 /nfs/dbraw/zinc/72/66/83/535726683.db2.gz WHIJOWCRNWPARA-RYUDHWBXSA-N 1 3 256.394 -0.277 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357172452 536790771 /nfs/dbraw/zinc/79/07/71/536790771.db2.gz HOGHLWCSUBSXRQ-NSHDSACASA-N 1 3 257.378 -0.074 20 0 CBADHO COCCN(C)CCCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000357172451 536791126 /nfs/dbraw/zinc/79/11/26/536791126.db2.gz HOGHLWCSUBSXRQ-LLVKDONJSA-N 1 3 257.378 -0.074 20 0 CBADHO CN1CCC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758140 582115523 /nfs/dbraw/zinc/11/55/23/582115523.db2.gz TVXDREPYCJPVOA-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NCCN1CCCC1 ZINC000111757472 582115574 /nfs/dbraw/zinc/11/55/74/582115574.db2.gz HSMGVTOSSKFSOQ-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729529205 582146919 /nfs/dbraw/zinc/14/69/19/582146919.db2.gz NELNDSSBZZSGNL-XQQFMLRXSA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729529205 582146920 /nfs/dbraw/zinc/14/69/20/582146920.db2.gz NELNDSSBZZSGNL-XQQFMLRXSA-N 1 3 267.373 -0.083 20 0 CBADHO OC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528817 582369070 /nfs/dbraw/zinc/36/90/70/582369070.db2.gz FUFREQIRGUBLKP-KGLIPLIRSA-N 1 3 272.389 -0.180 20 0 CBADHO OC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000782528818 582369093 /nfs/dbraw/zinc/36/90/93/582369093.db2.gz FUFREQIRGUBLKP-UONOGXRCSA-N 1 3 272.389 -0.180 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(C)n1 ZINC000786108215 582377943 /nfs/dbraw/zinc/37/79/43/582377943.db2.gz ZZMPMQQLPFWRSW-UHFFFAOYSA-N 1 3 268.365 -0.620 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N1CCCCC1 ZINC000793704632 582398340 /nfs/dbraw/zinc/39/83/40/582398340.db2.gz YZRPLHGPWQJJGL-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO O=C1N[C@H]2CC[N@@H+](C[C@@H](O)CN3CCCC3)C[C@@H]2CO1 ZINC000799180173 582419300 /nfs/dbraw/zinc/41/93/00/582419300.db2.gz QCHXVJXQZWRBHS-AGIUHOORSA-N 1 3 283.372 -0.127 20 0 CBADHO O=C1N[C@H]2CC[N@H+](C[C@@H](O)CN3CCCC3)C[C@@H]2CO1 ZINC000799180173 582419301 /nfs/dbraw/zinc/41/93/01/582419301.db2.gz QCHXVJXQZWRBHS-AGIUHOORSA-N 1 3 283.372 -0.127 20 0 CBADHO CN(C)CCN1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1=O ZINC000823856905 582681873 /nfs/dbraw/zinc/68/18/73/582681873.db2.gz CFONWYGBUICITK-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000827290389 582809453 /nfs/dbraw/zinc/80/94/53/582809453.db2.gz TWYIXBDNJNLTBR-ILXRZTDVSA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000827290389 582809457 /nfs/dbraw/zinc/80/94/57/582809457.db2.gz TWYIXBDNJNLTBR-ILXRZTDVSA-N 1 3 292.427 -0.071 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000827936145 582836196 /nfs/dbraw/zinc/83/61/96/582836196.db2.gz FPENSSYOQOXLJD-CXTNEJHOSA-N 1 3 279.384 -0.035 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716115 582895929 /nfs/dbraw/zinc/89/59/29/582895929.db2.gz VQESVUOEVMMDIB-DZGCQCFKSA-N 1 3 298.406 -0.074 20 0 CBADHO C[C@]1(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000831031363 582950805 /nfs/dbraw/zinc/95/08/05/582950805.db2.gz OJTOBBMSBKNHAB-DYEKYZERSA-N 1 3 282.388 -0.099 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCCCCCC[NH3+])C1 ZINC000831274352 582973658 /nfs/dbraw/zinc/97/36/58/582973658.db2.gz ITHGMUQWXMGECV-ZDUSSCGKSA-N 1 3 272.393 -0.129 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1CNCCO1 ZINC000831970732 583008878 /nfs/dbraw/zinc/00/88/78/583008878.db2.gz KUCXUNRHVAACBF-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1CNCCO1 ZINC000831970732 583008880 /nfs/dbraw/zinc/00/88/80/583008880.db2.gz KUCXUNRHVAACBF-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000831971418 583009257 /nfs/dbraw/zinc/00/92/57/583009257.db2.gz XGJZNRSARQGUSJ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN1CCN(C(=O)c2cccc(CN)c2)[C@@H](C[NH3+])C1 ZINC000834299115 583119771 /nfs/dbraw/zinc/11/97/71/583119771.db2.gz KFHVFBINVXZMKJ-ZDUSSCGKSA-N 1 3 262.357 -0.140 20 0 CBADHO CN1CCN(C(=O)CCCCCC[NH3+])[C@H](CN)C1 ZINC000834299215 583119799 /nfs/dbraw/zinc/11/97/99/583119799.db2.gz MWGQLLGNLUMDQG-GFCCVEGCSA-N 1 3 256.394 -0.003 20 0 CBADHO [NH3+]CC[C@H](NC(=O)c1[nH]nc2c1CNCC2)C(F)F ZINC000834831966 583137209 /nfs/dbraw/zinc/13/72/09/583137209.db2.gz UGPDGILTKUQXHJ-QMMMGPOBSA-N 1 3 273.287 -0.232 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842014261 583177635 /nfs/dbraw/zinc/17/76/35/583177635.db2.gz BDROXBYRMMWZBT-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842015197 583177833 /nfs/dbraw/zinc/17/78/33/583177833.db2.gz HOEDOAXLLQGMFR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016036 583178007 /nfs/dbraw/zinc/17/80/07/583178007.db2.gz QUBCLSDYRMQXHQ-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[NH2+]C ZINC000842097346 583179225 /nfs/dbraw/zinc/17/92/25/583179225.db2.gz KOTXEICQNHTCAV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842097794 583179233 /nfs/dbraw/zinc/17/92/33/583179233.db2.gz NRZATDYCVAHVHY-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512197 583184695 /nfs/dbraw/zinc/18/46/95/583184695.db2.gz IGFJMCHTQALCKA-AAEUAGOBSA-N 1 3 253.346 -0.281 20 0 CBADHO COC(=O)CCNC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843354573 583211799 /nfs/dbraw/zinc/21/17/99/583211799.db2.gz CZADKIGYSHBWFH-UHFFFAOYSA-N 1 3 271.361 -0.133 20 0 CBADHO CC1(NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]CC1 ZINC000843471005 583224467 /nfs/dbraw/zinc/22/44/67/583224467.db2.gz KEAJAUIJWLZKRW-UHFFFAOYSA-N 1 3 263.345 -0.073 20 0 CBADHO C[C@H](N)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843472229 583224545 /nfs/dbraw/zinc/22/45/45/583224545.db2.gz XLRFABLYTVWOKR-QMMMGPOBSA-N 1 3 250.302 -0.339 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000843484699 583227356 /nfs/dbraw/zinc/22/73/56/583227356.db2.gz QVDAYQJDNMAMNH-ZJUUUORDSA-N 1 3 277.315 -0.132 20 0 CBADHO CN(CCNC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000844175167 583257320 /nfs/dbraw/zinc/25/73/20/583257320.db2.gz CELNMMONSMTUFM-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178953 583257892 /nfs/dbraw/zinc/25/78/92/583257892.db2.gz AGZJGEMWSOVBBN-VEGXAWMVSA-N 1 3 265.357 -0.284 20 0 CBADHO CCNCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000844181330 583258327 /nfs/dbraw/zinc/25/83/27/583258327.db2.gz COLUZHLCHLDNLP-NSHDSACASA-N 1 3 270.377 -0.701 20 0 CBADHO CCNCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000844181330 583258328 /nfs/dbraw/zinc/25/83/28/583258328.db2.gz COLUZHLCHLDNLP-NSHDSACASA-N 1 3 270.377 -0.701 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181468 583258352 /nfs/dbraw/zinc/25/83/52/583258352.db2.gz RFFJPMUEUBNULD-UONOGXRCSA-N 1 3 299.415 -0.018 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOCCO ZINC000848981002 583463767 /nfs/dbraw/zinc/46/37/67/583463767.db2.gz SFFKZFKULAZGOO-NSHDSACASA-N 1 3 258.366 -0.406 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nncn1C ZINC000848992212 583465131 /nfs/dbraw/zinc/46/51/31/583465131.db2.gz XNPPVZNVFYBHDM-JTQLQIEISA-N 1 3 265.365 -0.087 20 0 CBADHO CN1CCC[NH+]=C1NCCN1CCCN(C)CC1 ZINC000848994036 583465545 /nfs/dbraw/zinc/46/55/45/583465545.db2.gz JQQJBRUFRNMGLZ-UHFFFAOYSA-N 1 3 253.394 -0.095 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1nnnn1C ZINC000849015759 583468048 /nfs/dbraw/zinc/46/80/48/583468048.db2.gz FFFFWEIFJBLEFL-JTQLQIEISA-N 1 3 280.380 -0.649 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CO)COC1 ZINC000849014216 583468105 /nfs/dbraw/zinc/46/81/05/583468105.db2.gz OZTOIHAWZYYLTA-LLVKDONJSA-N 1 3 270.377 -0.406 20 0 CBADHO CCOCCCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019203 583468599 /nfs/dbraw/zinc/46/85/99/583468599.db2.gz RAFBKPIKHLLWLS-LBPRGKRZSA-N 1 3 258.366 -0.406 20 0 CBADHO CCc1nc(CNC(=[NH2+])NCCCN2CCOCC2)n[nH]1 ZINC000849033144 583469975 /nfs/dbraw/zinc/46/99/75/583469975.db2.gz YCXCVNCZSQGIMV-UHFFFAOYSA-N 1 3 295.391 -0.297 20 0 CBADHO COCCNC(=[NH2+])NCC(=O)NCCN1CCCCCC1 ZINC000849030235 583470010 /nfs/dbraw/zinc/47/00/10/583470010.db2.gz FLAYPZOTITWDGF-UHFFFAOYSA-N 1 3 299.419 -0.261 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849041097 583471097 /nfs/dbraw/zinc/47/10/97/583471097.db2.gz KCOHRHVVZKFSDW-RYUDHWBXSA-N 1 3 295.391 -0.763 20 0 CBADHO CNC(=[NH2+])NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849041310 583471134 /nfs/dbraw/zinc/47/11/34/583471134.db2.gz BLLHPAKQXKIQEP-UHFFFAOYSA-N 1 3 269.393 -0.473 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043827 583471596 /nfs/dbraw/zinc/47/15/96/583471596.db2.gz ILXZQLCIMUKXFP-SNVBAGLBSA-N 1 3 271.365 -0.396 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047606 583472062 /nfs/dbraw/zinc/47/20/62/583472062.db2.gz PGPAJOWDZWIBSQ-AXFHLTTASA-N 1 3 267.377 -0.151 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851656438 583518336 /nfs/dbraw/zinc/51/83/36/583518336.db2.gz LCTUZZQFZVWCTC-TUAOUCFPSA-N 1 3 270.377 -0.243 20 0 CBADHO CCCN1CC[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000851676321 583519879 /nfs/dbraw/zinc/51/98/79/583519879.db2.gz HVPJIMHALAHJJT-NSHDSACASA-N 1 3 258.366 -0.567 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852793191 583552714 /nfs/dbraw/zinc/55/27/14/583552714.db2.gz UDQXKYXPGQPAPZ-NGZCFLSTSA-N 1 3 254.334 -0.182 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852795871 583553018 /nfs/dbraw/zinc/55/30/18/583553018.db2.gz KCPXOZKHURIVHL-WPRPVWTQSA-N 1 3 254.334 -0.324 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852798309 583553266 /nfs/dbraw/zinc/55/32/66/583553266.db2.gz JCXKIAOLUAVAML-NSHDSACASA-N 1 3 268.361 -0.062 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])=NO1 ZINC000852797721 583553321 /nfs/dbraw/zinc/55/33/21/583553321.db2.gz ACDGPZJOQRMDGW-KXUCPTDWSA-N 1 3 254.334 -0.276 20 0 CBADHO C[NH+](C)CC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852858578 583561666 /nfs/dbraw/zinc/56/16/66/583561666.db2.gz DZZIFBGFHYOPDN-LLVKDONJSA-N 1 3 268.361 -0.110 20 0 CBADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000852857086 583561767 /nfs/dbraw/zinc/56/17/67/583561767.db2.gz ZBWRYUSPBLTAKP-NSHDSACASA-N 1 3 284.404 -0.395 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)=NO1 ZINC000852860605 583562398 /nfs/dbraw/zinc/56/23/98/583562398.db2.gz SRGWYTPRRDLZSY-JBLDHEPKSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)=NO1 ZINC000852860605 583562399 /nfs/dbraw/zinc/56/23/99/583562399.db2.gz SRGWYTPRRDLZSY-JBLDHEPKSA-N 1 3 266.345 -0.167 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@H](CN)C1)C[NH+]1CCCC1 ZINC000852860267 583562483 /nfs/dbraw/zinc/56/24/83/583562483.db2.gz OTRNVUAWHLYSSG-MNOVXSKESA-N 1 3 268.361 -0.062 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852864693 583563579 /nfs/dbraw/zinc/56/35/79/583563579.db2.gz FCQABKSCWWKLNR-UWVGGRQHSA-N 1 3 256.350 -0.064 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852864693 583563580 /nfs/dbraw/zinc/56/35/80/583563580.db2.gz FCQABKSCWWKLNR-UWVGGRQHSA-N 1 3 256.350 -0.064 20 0 CBADHO CCN1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873307 583565637 /nfs/dbraw/zinc/56/56/37/583565637.db2.gz RIIORWAUNJRNHA-GFCCVEGCSA-N 1 3 297.403 -0.766 20 0 CBADHO NC[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)=NO1 ZINC000852875364 583565775 /nfs/dbraw/zinc/56/57/75/583565775.db2.gz IUAPXNRQQPYDLS-XWLWVQCSSA-N 1 3 266.345 -0.324 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)=NO1 ZINC000852882508 583567401 /nfs/dbraw/zinc/56/74/01/583567401.db2.gz JCNDXRXYWBZZCK-WZRBSPASSA-N 1 3 296.371 -0.555 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H](C[NH3+])C2CCCC2)=NO1 ZINC000852889517 583569710 /nfs/dbraw/zinc/56/97/10/583569710.db2.gz FGWCRAUEBZKPIV-GXSJLCMTSA-N 1 3 254.334 -0.276 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC3(CC[NH2+]3)CC2)=NO1 ZINC000852892086 583570257 /nfs/dbraw/zinc/57/02/57/583570257.db2.gz ANHZWACPTPDBQL-SECBINFHSA-N 1 3 252.318 -0.556 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892319 583570296 /nfs/dbraw/zinc/57/02/96/583570296.db2.gz DKRFBTXVDOKPEH-UWVGGRQHSA-N 1 3 266.345 -0.119 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852898437 583572061 /nfs/dbraw/zinc/57/20/61/583572061.db2.gz YTTRACOZOFXEBL-KXUCPTDWSA-N 1 3 254.334 -0.454 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852903307 583572581 /nfs/dbraw/zinc/57/25/81/583572581.db2.gz YJLFAAIPZZOCNX-NSHDSACASA-N 1 3 285.392 -0.910 20 0 CBADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861572683 583771092 /nfs/dbraw/zinc/77/10/92/583771092.db2.gz WOSYGROAOWBZCK-NWDGAFQWSA-N 1 3 270.377 -0.160 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000861729306 583781638 /nfs/dbraw/zinc/78/16/38/583781638.db2.gz RPSLIIHJJSBGCS-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000861750432 583783668 /nfs/dbraw/zinc/78/36/68/583783668.db2.gz JUHFZBJSUMTEEZ-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000861750433 583783744 /nfs/dbraw/zinc/78/37/44/583783744.db2.gz JUHFZBJSUMTEEZ-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1CC1 ZINC000861760081 583784829 /nfs/dbraw/zinc/78/48/29/583784829.db2.gz SUKJWDABDBGMMR-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000861765248 583785352 /nfs/dbraw/zinc/78/53/52/583785352.db2.gz OZMRPULKKVNDMA-ZYHUDNBSSA-N 1 3 282.388 -0.608 20 0 CBADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCCOCCC[NH3+] ZINC000863548234 583846184 /nfs/dbraw/zinc/84/61/84/583846184.db2.gz VYAVICJISCFBSI-WDEREUQCSA-N 1 3 259.350 -0.765 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863753544 583852728 /nfs/dbraw/zinc/85/27/28/583852728.db2.gz YDDIMAOZMNOAKD-GFCCVEGCSA-N 1 3 286.420 -0.162 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000863753896 583852787 /nfs/dbraw/zinc/85/27/87/583852787.db2.gz KQUFAKFAJKWNSM-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000863761872 583854323 /nfs/dbraw/zinc/85/43/23/583854323.db2.gz RXMXNHLTEHRDJX-TUAOUCFPSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000863762609 583854508 /nfs/dbraw/zinc/85/45/08/583854508.db2.gz XUKWNPRZKAGDOO-LBPRGKRZSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H](CNC(=O)C(F)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000864827190 583890305 /nfs/dbraw/zinc/89/03/05/583890305.db2.gz CNEBXGAZBSXGQT-UWVGGRQHSA-N 1 3 290.383 -0.543 20 0 CBADHO COC[C@@H](C)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714119 583928345 /nfs/dbraw/zinc/92/83/45/583928345.db2.gz GSBMBKKKSVJEMM-KXNHARMFSA-N 1 3 269.345 -0.112 20 0 CBADHO COC[C@@H](C)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714118 583928385 /nfs/dbraw/zinc/92/83/85/583928385.db2.gz GSBMBKKKSVJEMM-KKOKHZNYSA-N 1 3 269.345 -0.112 20 0 CBADHO O=C1NCCO[C@H]2CCCN(CC3CC[NH2+]CC3)[C@H]12 ZINC000866717464 583928563 /nfs/dbraw/zinc/92/85/63/583928563.db2.gz GFDSAXLPKUVQQE-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867323963 583948412 /nfs/dbraw/zinc/94/84/12/583948412.db2.gz OGDNFVNUUVCVSI-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867323963 583948414 /nfs/dbraw/zinc/94/84/14/583948414.db2.gz OGDNFVNUUVCVSI-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000868386688 583976665 /nfs/dbraw/zinc/97/66/65/583976665.db2.gz KNAUPMUFLXFSBC-OLZOCXBDSA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000868386688 583976666 /nfs/dbraw/zinc/97/66/66/583976666.db2.gz KNAUPMUFLXFSBC-OLZOCXBDSA-N 1 3 294.399 -0.639 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868405123 583977777 /nfs/dbraw/zinc/97/77/77/583977777.db2.gz HPNSSTMHGQVKQA-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870953987 584022970 /nfs/dbraw/zinc/02/29/70/584022970.db2.gz WPZQRMISDPGIPQ-JOCQHMNTSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[NH2+]CC1CC1 ZINC000870953865 584023022 /nfs/dbraw/zinc/02/30/22/584023022.db2.gz PZYDICWKYXOGAR-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872186524 584048698 /nfs/dbraw/zinc/04/86/98/584048698.db2.gz KTYCITDGFRTDDQ-UHFFFAOYSA-N 1 3 286.420 -0.016 20 0 CBADHO CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000872213637 584050391 /nfs/dbraw/zinc/05/03/91/584050391.db2.gz VFKUWCQKAPOJCA-VXGBXAGGSA-N 1 3 260.378 -0.445 20 0 CBADHO CC(C)(O)C[C@@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000872213351 584050421 /nfs/dbraw/zinc/05/04/21/584050421.db2.gz LGFGKWIOHDBRJE-CYBMUJFWSA-N 1 3 274.405 -0.055 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000873267157 584069697 /nfs/dbraw/zinc/06/96/97/584069697.db2.gz WXVYJSNZJWCCCG-GUTXKFCHSA-N 1 3 297.399 -0.279 20 0 CBADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267157 584069700 /nfs/dbraw/zinc/06/97/00/584069700.db2.gz WXVYJSNZJWCCCG-GUTXKFCHSA-N 1 3 297.399 -0.279 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000873267536 584069879 /nfs/dbraw/zinc/06/98/79/584069879.db2.gz ZQFLRXYOWGPLDI-SGMGOOAPSA-N 1 3 283.372 -0.669 20 0 CBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267536 584069881 /nfs/dbraw/zinc/06/98/81/584069881.db2.gz ZQFLRXYOWGPLDI-SGMGOOAPSA-N 1 3 283.372 -0.669 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000874382824 584082575 /nfs/dbraw/zinc/08/25/75/584082575.db2.gz VGPJGRYGSFEIOZ-TXEJJXNPSA-N 1 3 257.378 -0.291 20 0 CBADHO CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000876542065 584132410 /nfs/dbraw/zinc/13/24/10/584132410.db2.gz LAMZSFPQDWFQBU-GMTAPVOTSA-N 1 3 258.341 -0.965 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876762219 584143214 /nfs/dbraw/zinc/14/32/14/584143214.db2.gz CMGGQEHUOMCNSH-STQMWFEESA-N 1 3 270.421 -0.031 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876762219 584143215 /nfs/dbraw/zinc/14/32/15/584143215.db2.gz CMGGQEHUOMCNSH-STQMWFEESA-N 1 3 270.421 -0.031 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876786978 584144630 /nfs/dbraw/zinc/14/46/30/584144630.db2.gz DKPXJUPJADWAGD-MBYGNEARSA-N 1 3 254.378 -0.383 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829569 584147752 /nfs/dbraw/zinc/14/77/52/584147752.db2.gz LQGYLRMGQVQQSR-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876868453 584151425 /nfs/dbraw/zinc/15/14/25/584151425.db2.gz DEVUNDIKAJCRKX-UPJWGTAASA-N 1 3 268.405 -0.277 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876869689 584151451 /nfs/dbraw/zinc/15/14/51/584151451.db2.gz ATPSTNYTQVBIIG-KGLIPLIRSA-N 1 3 299.415 -0.208 20 0 CBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000876916431 584155214 /nfs/dbraw/zinc/15/52/14/584155214.db2.gz BMSXLVXBEZXFTF-AOIOQCJFSA-N 1 3 253.346 -0.497 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876965629 584158631 /nfs/dbraw/zinc/15/86/31/584158631.db2.gz JGOVJTUJHDFCIL-NWDGAFQWSA-N 1 3 298.431 -0.162 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877016684 584161696 /nfs/dbraw/zinc/16/16/96/584161696.db2.gz BSPZSSNNXYZNQQ-BBBLOLIVSA-N 1 3 296.337 -0.139 20 0 CBADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000877146633 584168244 /nfs/dbraw/zinc/16/82/44/584168244.db2.gz WTVKLEFJZDDMPL-ZYHUDNBSSA-N 1 3 266.345 -0.357 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877160064 584168461 /nfs/dbraw/zinc/16/84/61/584168461.db2.gz QVXYSAKIVGYVGY-KBPBESRZSA-N 1 3 278.400 -0.048 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188288 584169922 /nfs/dbraw/zinc/16/99/22/584169922.db2.gz YCYXFFUZJLZPLK-RUETXSTFSA-N 1 3 269.345 -0.251 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCCN1 ZINC000877244391 584171959 /nfs/dbraw/zinc/17/19/59/584171959.db2.gz BKPSMRVTRGEJQH-GVXVVHGQSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@]1(F)CCNC1 ZINC000877335641 584178808 /nfs/dbraw/zinc/17/88/08/584178808.db2.gz DDPRPHBOGSAEBJ-BXUZGUMPSA-N 1 3 285.363 -0.037 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335704 584179109 /nfs/dbraw/zinc/17/91/09/584179109.db2.gz DQZGVDCRPPTRLN-CHWSQXEVSA-N 1 3 297.399 -0.360 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877338544 584179159 /nfs/dbraw/zinc/17/91/59/584179159.db2.gz HDBSNSHWBKVOMR-MCIONIFRSA-N 1 3 275.352 -0.067 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877358112 584179548 /nfs/dbraw/zinc/17/95/48/584179548.db2.gz ZZYOMFBMGYEHIA-VGMNWLOBSA-N 1 3 282.310 -0.529 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391071 584180532 /nfs/dbraw/zinc/18/05/32/584180532.db2.gz MJIRICIOTQVQOP-VHRBIJSZSA-N 1 3 282.388 -0.513 20 0 CBADHO OC[C@@H]1C=CCN1CCOCC[N@@H+]1CC=C[C@H]1CO ZINC000880488578 584276254 /nfs/dbraw/zinc/27/62/54/584276254.db2.gz HVLQJTRPSYEBGA-KBPBESRZSA-N 1 3 268.357 -0.532 20 0 CBADHO OC[C@@H]1C=CCN1CCOCC[N@H+]1CC=C[C@H]1CO ZINC000880488578 584276255 /nfs/dbraw/zinc/27/62/55/584276255.db2.gz HVLQJTRPSYEBGA-KBPBESRZSA-N 1 3 268.357 -0.532 20 0 CBADHO OC[C@H]1C=CCN1CCOCC[N@@H+]1CC=C[C@@H]1CO ZINC000880488580 584276284 /nfs/dbraw/zinc/27/62/84/584276284.db2.gz HVLQJTRPSYEBGA-ZIAGYGMSSA-N 1 3 268.357 -0.532 20 0 CBADHO OC[C@H]1C=CCN1CCOCC[N@H+]1CC=C[C@@H]1CO ZINC000880488580 584276286 /nfs/dbraw/zinc/27/62/86/584276286.db2.gz HVLQJTRPSYEBGA-ZIAGYGMSSA-N 1 3 268.357 -0.532 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCN(C)CCOCCO)CCN1C ZINC000883349571 584340110 /nfs/dbraw/zinc/34/01/10/584340110.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@H]1C[C@H](NCCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349571 584340112 /nfs/dbraw/zinc/34/01/12/584340112.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@H]1C[C@H](NCCN(C)CCOCCO)CC[N@H+]1C ZINC000883349571 584340114 /nfs/dbraw/zinc/34/01/14/584340114.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 1 3 273.421 -0.001 20 0 CBADHO CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000883448620 584343023 /nfs/dbraw/zinc/34/30/23/584343023.db2.gz KQSNDQGTPBZWSH-MJBXVCDLSA-N 1 3 279.384 -0.083 20 0 CBADHO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000883448620 584343024 /nfs/dbraw/zinc/34/30/24/584343024.db2.gz KQSNDQGTPBZWSH-MJBXVCDLSA-N 1 3 279.384 -0.083 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)c1ccnc(N2CCNCC2)c1 ZINC000884016266 584355939 /nfs/dbraw/zinc/35/59/39/584355939.db2.gz RKZRCBKQKSEFJH-LBPRGKRZSA-N 1 3 275.356 -0.417 20 0 CBADHO O=C(NCC[NH2+]C1CC1)c1ccnc(N2CCNCC2)c1 ZINC000884024432 584356368 /nfs/dbraw/zinc/35/63/68/584356368.db2.gz RMWNGOOILKONRR-UHFFFAOYSA-N 1 3 289.383 -0.027 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884032527 584356695 /nfs/dbraw/zinc/35/66/95/584356695.db2.gz UXGXUWMCPWPKLB-LLVKDONJSA-N 1 3 277.372 -0.090 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884213161 584367605 /nfs/dbraw/zinc/36/76/05/584367605.db2.gz UXZBEYMQQDAZKQ-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884213161 584367606 /nfs/dbraw/zinc/36/76/06/584367606.db2.gz UXZBEYMQQDAZKQ-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+][C@H](CNC(=O)c1ccnc(N2CCNCC2)c1)C1CC1 ZINC000884241720 584369460 /nfs/dbraw/zinc/36/94/60/584369460.db2.gz AHKKQUHHESEUHM-CYBMUJFWSA-N 1 3 289.383 -0.042 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884238122 584369606 /nfs/dbraw/zinc/36/96/06/584369606.db2.gz UMNMNAKGQHSPMZ-LLVKDONJSA-N 1 3 277.372 -0.184 20 0 CBADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285996 584372182 /nfs/dbraw/zinc/37/21/82/584372182.db2.gz WBLMQSXMXCKAAD-CHWSQXEVSA-N 1 3 266.389 -0.380 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884296569 584372542 /nfs/dbraw/zinc/37/25/42/584372542.db2.gz ARFNDESYVZTUIP-LBPRGKRZSA-N 1 3 277.372 -0.042 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000884336370 584375287 /nfs/dbraw/zinc/37/52/87/584375287.db2.gz OQJCLVCRANGJHO-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC1=O ZINC000884356209 584376183 /nfs/dbraw/zinc/37/61/83/584376183.db2.gz AGUMSCHPCFAHHH-GRYCIOLGSA-N 1 3 296.415 -0.362 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366129 584377090 /nfs/dbraw/zinc/37/70/90/584377090.db2.gz URMGWJJDVQTVNW-BDAKNGLRSA-N 1 3 251.334 -0.266 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)CC3CC3)C[C@H]2[NH3+])cn1 ZINC000884371843 584377361 /nfs/dbraw/zinc/37/73/61/584377361.db2.gz ZMJVBARSWBWBKQ-YNEHKIRRSA-N 1 3 277.372 -0.199 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)C[C@H]1C[NH3+] ZINC000884385989 584378026 /nfs/dbraw/zinc/37/80/26/584378026.db2.gz BAEJBGCNTBBBMC-GRYCIOLGSA-N 1 3 255.362 -0.064 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884405732 584379650 /nfs/dbraw/zinc/37/96/50/584379650.db2.gz BMVNWGDDXWTDSF-GFCCVEGCSA-N 1 3 298.431 -0.290 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000884528938 584386463 /nfs/dbraw/zinc/38/64/63/584386463.db2.gz BBPLSGMZUBMJQS-MNOVXSKESA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C1=CCN(C)CC1 ZINC000884623645 584391403 /nfs/dbraw/zinc/39/14/03/584391403.db2.gz KKISJEDITRKALB-LLVKDONJSA-N 1 3 296.415 -0.003 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884626892 584391742 /nfs/dbraw/zinc/39/17/42/584391742.db2.gz YNKLDJFLNVMEBF-YNEHKIRRSA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626892 584391745 /nfs/dbraw/zinc/39/17/45/584391745.db2.gz YNKLDJFLNVMEBF-YNEHKIRRSA-N 1 3 294.399 -0.321 20 0 CBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884631523 584392254 /nfs/dbraw/zinc/39/22/54/584392254.db2.gz NBRTZLBOTHOOSL-AVGNSLFASA-N 1 3 292.383 -0.840 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCC1(C)C ZINC000884677799 584395096 /nfs/dbraw/zinc/39/50/96/584395096.db2.gz DTZAQZIIYTZFDE-NSHDSACASA-N 1 3 282.388 -0.593 20 0 CBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000884704521 584398907 /nfs/dbraw/zinc/39/89/07/584398907.db2.gz JRILKZJVRWSBCT-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884704713 584399193 /nfs/dbraw/zinc/39/91/93/584399193.db2.gz QLVVUUIOUGBFTG-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884705320 584399644 /nfs/dbraw/zinc/39/96/44/584399644.db2.gz PFJVQKYSFISWNM-HBNTYKKESA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884705320 584399646 /nfs/dbraw/zinc/39/96/46/584399646.db2.gz PFJVQKYSFISWNM-HBNTYKKESA-N 1 3 268.361 -0.998 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198664 584409981 /nfs/dbraw/zinc/40/99/81/584409981.db2.gz AARVORKTFJESJW-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(C(=O)C(=O)N(C)CCN(C)C)[C@H]1CC[NH2+]C1 ZINC000887066320 584461027 /nfs/dbraw/zinc/46/10/27/584461027.db2.gz JLHPTPGWXGRITM-NSHDSACASA-N 1 3 270.377 -0.783 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000889042029 584515525 /nfs/dbraw/zinc/51/55/25/584515525.db2.gz YWVPHQXPKROXKU-NWDGAFQWSA-N 1 3 299.419 -0.302 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514442 584583438 /nfs/dbraw/zinc/58/34/38/584583438.db2.gz RPIGAMCKRASOHN-XJFOESAGSA-N 1 3 294.399 -0.005 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514660 584583583 /nfs/dbraw/zinc/58/35/83/584583583.db2.gz WHBHULFDAZLOSX-CYDGBPFRSA-N 1 3 280.372 -0.395 20 0 CBADHO CCN(C(=O)NCCOCCN(C)C)[C@H]1CC[NH2+]C1 ZINC000891845444 584593090 /nfs/dbraw/zinc/59/30/90/584593090.db2.gz UUXDJFJPOBCERR-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[NH2+]CCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000891962613 584595805 /nfs/dbraw/zinc/59/58/05/584595805.db2.gz WPELDBFYOKWUEX-NSHDSACASA-N 1 3 272.393 -0.260 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000892179788 584607703 /nfs/dbraw/zinc/60/77/03/584607703.db2.gz KJRFLBJNIVEYJB-SRVKXCTJSA-N 1 3 270.377 -0.209 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000892184533 584608387 /nfs/dbraw/zinc/60/83/87/584608387.db2.gz UIBMGMSQOFGIJL-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO CCN(C(=O)NC[C@@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000892190282 584609107 /nfs/dbraw/zinc/60/91/07/584609107.db2.gz XWHXTZZRQSLRAC-MNOVXSKESA-N 1 3 256.350 -0.632 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000892566377 584619310 /nfs/dbraw/zinc/61/93/10/584619310.db2.gz ILSVZSKOLLAGHL-AVGNSLFASA-N 1 3 284.404 -0.130 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577469 584619735 /nfs/dbraw/zinc/61/97/35/584619735.db2.gz JEZHVVSGZBMLMZ-HAQNSBGRSA-N 1 3 272.393 -0.057 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892855829 584628526 /nfs/dbraw/zinc/62/85/26/584628526.db2.gz WDYUJUIDAIPRAY-LBPRGKRZSA-N 1 3 258.366 -0.520 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@@H+]1C ZINC000896617785 584704038 /nfs/dbraw/zinc/70/40/38/584704038.db2.gz KADYEDBESCXMMB-ZIAGYGMSSA-N 1 3 297.447 -0.032 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N2CCN(C)CCN(C)CC2)CC[N@H+]1C ZINC000896617785 584704039 /nfs/dbraw/zinc/70/40/39/584704039.db2.gz KADYEDBESCXMMB-ZIAGYGMSSA-N 1 3 297.447 -0.032 20 0 CBADHO C[NH+](C)CCOCCNC(=O)C1CN(C2CCOCC2)C1 ZINC000897313168 584712732 /nfs/dbraw/zinc/71/27/32/584712732.db2.gz WBQOPLOECOCOTN-UHFFFAOYSA-N 1 3 299.415 -0.208 20 0 CBADHO CCN(CCO)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897415590 584715508 /nfs/dbraw/zinc/71/55/08/584715508.db2.gz BNPUYXXZTQZKMU-UHFFFAOYSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000897446649 584716684 /nfs/dbraw/zinc/71/66/84/584716684.db2.gz XKQWRCQWCSQIFF-OCCSQVGLSA-N 1 3 284.404 -0.306 20 0 CBADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000897446649 584716686 /nfs/dbraw/zinc/71/66/86/584716686.db2.gz XKQWRCQWCSQIFF-OCCSQVGLSA-N 1 3 284.404 -0.306 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897448561 584716802 /nfs/dbraw/zinc/71/68/02/584716802.db2.gz XFKYIGVQPRCMMJ-ZDUSSCGKSA-N 1 3 286.420 -0.058 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897448561 584716804 /nfs/dbraw/zinc/71/68/04/584716804.db2.gz XFKYIGVQPRCMMJ-ZDUSSCGKSA-N 1 3 286.420 -0.058 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000897495090 584718199 /nfs/dbraw/zinc/71/81/99/584718199.db2.gz SMNDTNYIUGEBTO-GXTWGEPZSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000897495090 584718202 /nfs/dbraw/zinc/71/82/02/584718202.db2.gz SMNDTNYIUGEBTO-GXTWGEPZSA-N 1 3 284.404 -0.164 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@@H]2C1 ZINC000898166383 584732407 /nfs/dbraw/zinc/73/24/07/584732407.db2.gz SCCPKPXQSRTYGQ-ILXRZTDVSA-N 1 3 292.427 -0.214 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@@H]2C1 ZINC000898166383 584732408 /nfs/dbraw/zinc/73/24/08/584732408.db2.gz SCCPKPXQSRTYGQ-ILXRZTDVSA-N 1 3 292.427 -0.214 20 0 CBADHO COC(=O)CCNC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499235 584892023 /nfs/dbraw/zinc/89/20/23/584892023.db2.gz KXGBZRHAPZDIDU-GHMZBOCLSA-N 1 3 271.361 -0.418 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)CCCN(C)C ZINC000903533582 584892685 /nfs/dbraw/zinc/89/26/85/584892685.db2.gz IQZKOSXUFSFAOC-MNOVXSKESA-N 1 3 263.407 -0.287 20 0 CBADHO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)C1CNC1 ZINC000903531877 584892719 /nfs/dbraw/zinc/89/27/19/584892719.db2.gz QQCXGHLGEHBISL-KOLCDFICSA-N 1 3 259.375 -0.509 20 0 CBADHO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)N1CCNCC1 ZINC000903531439 584892730 /nfs/dbraw/zinc/89/27/30/584892730.db2.gz MBVXDXSFRDWRAX-NEPJUHHUSA-N 1 3 288.417 -0.660 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)[C@@H]1CCCNC1 ZINC000903550442 584892885 /nfs/dbraw/zinc/89/28/85/584892885.db2.gz GAUYYABTMPTUTJ-ZJUUUORDSA-N 1 3 261.391 -0.344 20 0 CBADHO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)N1CCNCC1 ZINC000903558633 584893155 /nfs/dbraw/zinc/89/31/55/584893155.db2.gz SWTBCJWTUZSAQU-UHFFFAOYSA-N 1 3 288.417 -0.742 20 0 CBADHO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCNC1 ZINC000903559348 584893280 /nfs/dbraw/zinc/89/32/80/584893280.db2.gz LDKSGNQLYPFVBJ-LNFKQOIKSA-N 1 3 259.375 -0.449 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)[C@@H]1CCCNC1 ZINC000903583926 584893925 /nfs/dbraw/zinc/89/39/25/584893925.db2.gz HXNGLANRWOLVFI-IJLUTSLNSA-N 1 3 273.402 -0.119 20 0 CBADHO CNC(=O)CCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728413 584896257 /nfs/dbraw/zinc/89/62/57/584896257.db2.gz AQIKHKVYIVJQPJ-WCQYABFASA-N 1 3 255.362 -0.177 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1 ZINC000903769147 584898445 /nfs/dbraw/zinc/89/84/45/584898445.db2.gz YRCDLDJUKWCDCM-YJNKXOJESA-N 1 3 281.400 -0.494 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C1(C[NH3+])CCOCC1 ZINC000903808376 584900279 /nfs/dbraw/zinc/90/02/79/584900279.db2.gz HZAISWGQDYMGMH-UHFFFAOYSA-N 1 3 284.404 -0.752 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)C1(CN)CCOCC1 ZINC000903808376 584900281 /nfs/dbraw/zinc/90/02/81/584900281.db2.gz HZAISWGQDYMGMH-UHFFFAOYSA-N 1 3 284.404 -0.752 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)C1(CN)CCOCC1 ZINC000903808376 584900282 /nfs/dbraw/zinc/90/02/82/584900282.db2.gz HZAISWGQDYMGMH-UHFFFAOYSA-N 1 3 284.404 -0.752 20 0 CBADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H]1CS(N)(=O)=O ZINC000903826911 584900935 /nfs/dbraw/zinc/90/09/35/584900935.db2.gz NPNIJNOXVHYKLA-WOPDTQHZSA-N 1 3 275.418 -0.158 20 0 CBADHO COCC[C@H]1C[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000903837045 584901623 /nfs/dbraw/zinc/90/16/23/584901623.db2.gz AQIHCQLOEQBJHV-STQMWFEESA-N 1 3 269.389 -0.182 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2CCC(=O)N1CCNCC1 ZINC000903853058 584902092 /nfs/dbraw/zinc/90/20/92/584902092.db2.gz CYADEHDMDYWGMV-GXTWGEPZSA-N 1 3 266.389 -0.379 20 0 CBADHO NC[C@]12CC[C@H]1CC[N@@H+]2CCC(=O)N1CCNCC1 ZINC000903853058 584902093 /nfs/dbraw/zinc/90/20/93/584902093.db2.gz CYADEHDMDYWGMV-GXTWGEPZSA-N 1 3 266.389 -0.379 20 0 CBADHO NC[C@]12CC[C@H]1CC[N@H+]2CCC(=O)N1CCNCC1 ZINC000903853058 584902094 /nfs/dbraw/zinc/90/20/94/584902094.db2.gz CYADEHDMDYWGMV-GXTWGEPZSA-N 1 3 266.389 -0.379 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864472 584902547 /nfs/dbraw/zinc/90/25/47/584902547.db2.gz VKRJHPDTPSARGK-HZSPNIEDSA-N 1 3 271.405 -0.261 20 0 CBADHO COCCN(C)C[C@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903870611 584902856 /nfs/dbraw/zinc/90/28/56/584902856.db2.gz ODBLBPIQHSUAIZ-UONOGXRCSA-N 1 3 271.405 -0.247 20 0 CBADHO COC[C@H]1C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000903880489 584903710 /nfs/dbraw/zinc/90/37/10/584903710.db2.gz JHOMJGKLFQLZOW-VXGBXAGGSA-N 1 3 255.362 -0.572 20 0 CBADHO NC(=O)[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903889969 584904006 /nfs/dbraw/zinc/90/40/06/584904006.db2.gz WTKZMBYLYRLGPZ-FGNRJIRKSA-N 1 3 253.346 -0.297 20 0 CBADHO CC(C)[C@H](CN)C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970020 584905369 /nfs/dbraw/zinc/90/53/69/584905369.db2.gz OWTYDVLIODCSRL-NEPJUHHUSA-N 1 3 277.434 -0.416 20 0 CBADHO CC(C)[C@H](C[NH3+])CNCC[C@H]1CNCCS1(=O)=O ZINC000903970020 584905371 /nfs/dbraw/zinc/90/53/71/584905371.db2.gz OWTYDVLIODCSRL-NEPJUHHUSA-N 1 3 277.434 -0.416 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)N(C)C ZINC000969844637 614188899 /nfs/dbraw/zinc/18/88/99/614188899.db2.gz MPALVSQHUSUERW-VXGBXAGGSA-N 1 3 257.378 -0.245 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969675232 614649450 /nfs/dbraw/zinc/64/94/50/614649450.db2.gz RNZMBCSBMSWAPP-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969675232 614649452 /nfs/dbraw/zinc/64/94/52/614649452.db2.gz RNZMBCSBMSWAPP-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)C1)N(C)C ZINC000972355795 615374144 /nfs/dbraw/zinc/37/41/44/615374144.db2.gz ZTVNOVHTVAJSBS-NEPJUHHUSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)N(C)C ZINC000972355795 615374147 /nfs/dbraw/zinc/37/41/47/615374147.db2.gz ZTVNOVHTVAJSBS-NEPJUHHUSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC000969077215 615537789 /nfs/dbraw/zinc/53/77/89/615537789.db2.gz LVSQURNTYUWZGA-IJLUTSLNSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC000969074661 615603075 /nfs/dbraw/zinc/60/30/75/615603075.db2.gz NCVNEOCIKBBMTI-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC000969074615 615603168 /nfs/dbraw/zinc/60/31/68/615603168.db2.gz LANRRYMPFWGQQT-HBNTYKKESA-N 1 3 270.377 -0.609 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1)C1CCC1 ZINC000971689206 616044759 /nfs/dbraw/zinc/04/47/59/616044759.db2.gz GBIORISIEMHSIQ-CYBMUJFWSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)C1CCC1 ZINC000971689206 616044760 /nfs/dbraw/zinc/04/47/60/616044760.db2.gz GBIORISIEMHSIQ-CYBMUJFWSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC000968924803 616045161 /nfs/dbraw/zinc/04/51/61/616045161.db2.gz XUPLFKRORJXKMC-SNVBAGLBSA-N 1 3 268.361 -0.854 20 0 CBADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969100241 616179707 /nfs/dbraw/zinc/17/97/07/616179707.db2.gz ZDMSREYFUUCWSS-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO COCCN1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374807 616458606 /nfs/dbraw/zinc/45/86/06/616458606.db2.gz OOZNJJCYWFFXOP-KGLIPLIRSA-N 1 3 299.415 -0.617 20 0 CBADHO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923677230 658394733 /nfs/dbraw/zinc/39/47/33/658394733.db2.gz GJJXVMUKDRXBIL-NSHDSACASA-N 1 3 276.406 -0.790 20 0 CBADHO COCCC1(NS(=O)(=O)C2CNC2)CC[NH2+]CC1 ZINC000923675278 658394806 /nfs/dbraw/zinc/39/48/06/658394806.db2.gz VCCASRYGGFDZMY-UHFFFAOYSA-N 1 3 277.390 -0.964 20 0 CBADHO COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923487221 658305696 /nfs/dbraw/zinc/30/56/96/658305696.db2.gz BCYDHZMWPPVDIR-MNOVXSKESA-N 1 3 286.376 -0.482 20 0 CBADHO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)C1CNC1 ZINC000923592592 658343995 /nfs/dbraw/zinc/34/39/95/658343995.db2.gz RFNYECCRZOGGQQ-UHFFFAOYSA-N 1 3 273.402 -0.248 20 0 CBADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C1CNC1 ZINC000923622401 658358592 /nfs/dbraw/zinc/35/85/92/658358592.db2.gz XOWFGOBFVVEDFQ-WDEREUQCSA-N 1 3 273.402 -0.153 20 0 CBADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C1CNC1 ZINC000923622401 658358605 /nfs/dbraw/zinc/35/86/05/658358605.db2.gz XOWFGOBFVVEDFQ-WDEREUQCSA-N 1 3 273.402 -0.153 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@H]21 ZINC000923637824 658369850 /nfs/dbraw/zinc/36/98/50/658369850.db2.gz UQDPYVNHHCIWEQ-FBIMIBRVSA-N 1 3 259.375 -0.653 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923640835 658370790 /nfs/dbraw/zinc/37/07/90/658370790.db2.gz HUNAEPPSQBCEGR-SNVBAGLBSA-N 1 3 276.406 -0.886 20 0 CBADHO O=S(=O)(NCCC1CC[NH2+]CC1)N1CCNCC1 ZINC000923653438 658379473 /nfs/dbraw/zinc/37/94/73/658379473.db2.gz ZQVIJTDHUICVAN-UHFFFAOYSA-N 1 3 276.406 -0.884 20 0 CBADHO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)C1CNC1 ZINC000923652777 658379974 /nfs/dbraw/zinc/37/99/74/658379974.db2.gz NZOJNYLBEIUFNM-ZDUSSCGKSA-N 1 3 281.381 -0.154 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(CC2([NH+](C)C)CCC2)C1=O ZINC000924668517 658631721 /nfs/dbraw/zinc/63/17/21/658631721.db2.gz QXTCOCHZSWQFDJ-SNVBAGLBSA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@@H+]1CC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925320972 658825210 /nfs/dbraw/zinc/82/52/10/658825210.db2.gz IGDGVEIGBIUPAM-VHSXEESVSA-N 1 3 254.334 -0.437 20 0 CBADHO CC[N@H+]1CC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925320972 658825216 /nfs/dbraw/zinc/82/52/16/658825216.db2.gz IGDGVEIGBIUPAM-VHSXEESVSA-N 1 3 254.334 -0.437 20 0 CBADHO COC(=O)c1cn(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)nn1 ZINC000925667353 658864575 /nfs/dbraw/zinc/86/45/75/658864575.db2.gz QNHMYPAKPYFNEX-GHMZBOCLSA-N 1 3 279.344 -0.076 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCn1cc(CO)nn1 ZINC000925668673 658865166 /nfs/dbraw/zinc/86/51/66/658865166.db2.gz JSINOSUWEYOSSX-CMPLNLGQSA-N 1 3 253.350 -0.109 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC[C@@H]1CNCCS1(=O)=O ZINC000925789568 658872080 /nfs/dbraw/zinc/87/20/80/658872080.db2.gz WDXCAKACTOTVRD-JHJVBQTASA-N 1 3 289.445 -0.259 20 0 CBADHO C[N@H+](C[C@@H](O)CN1CCCC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000930597234 659310329 /nfs/dbraw/zinc/31/03/29/659310329.db2.gz GUIUDQVOSQSZEY-KFWWJZLASA-N 1 3 283.416 -0.152 20 0 CBADHO C[N@@H+](C[C@@H](O)CN1CCCC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000930597234 659310332 /nfs/dbraw/zinc/31/03/32/659310332.db2.gz GUIUDQVOSQSZEY-KFWWJZLASA-N 1 3 283.416 -0.152 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931434233 659462143 /nfs/dbraw/zinc/46/21/43/659462143.db2.gz QZEZCXDJSZNUOW-NEPJUHHUSA-N 1 3 280.372 -0.188 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000931434233 659462181 /nfs/dbraw/zinc/46/21/81/659462181.db2.gz QZEZCXDJSZNUOW-NEPJUHHUSA-N 1 3 280.372 -0.188 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442473 659462433 /nfs/dbraw/zinc/46/24/33/659462433.db2.gz IESBNEVXKKHHEM-CBBWQLFWSA-N 1 3 284.400 -0.228 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442473 659462556 /nfs/dbraw/zinc/46/25/56/659462556.db2.gz IESBNEVXKKHHEM-CBBWQLFWSA-N 1 3 284.400 -0.228 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442474 659464010 /nfs/dbraw/zinc/46/40/10/659464010.db2.gz IESBNEVXKKHHEM-LXTVHRRPSA-N 1 3 284.400 -0.228 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)C[C@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442474 659464023 /nfs/dbraw/zinc/46/40/23/659464023.db2.gz IESBNEVXKKHHEM-LXTVHRRPSA-N 1 3 284.400 -0.228 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442472 659466192 /nfs/dbraw/zinc/46/61/92/659466192.db2.gz IESBNEVXKKHHEM-BARDWOONSA-N 1 3 284.400 -0.228 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)C[C@@]3(O)CCOC3)C[C@@H]2C1 ZINC000931442472 659466199 /nfs/dbraw/zinc/46/61/99/659466199.db2.gz IESBNEVXKKHHEM-BARDWOONSA-N 1 3 284.400 -0.228 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000091668588 656059124 /nfs/dbraw/zinc/05/91/24/656059124.db2.gz OCCUYDGQRPMBBO-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO COC1(C(=O)NCCN2CCCC2)CC[NH2+]CC1 ZINC000178665947 656088745 /nfs/dbraw/zinc/08/87/45/656088745.db2.gz OWPBEFUWXGMCSX-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000232122304 656113665 /nfs/dbraw/zinc/11/36/65/656113665.db2.gz KSPAEKJXLRDOKD-GRYCIOLGSA-N 1 3 271.361 -0.670 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236845017 656115869 /nfs/dbraw/zinc/11/58/69/656115869.db2.gz VYTWJRMHYLWFFH-GFCCVEGCSA-N 1 3 256.394 -0.404 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000702348546 656180268 /nfs/dbraw/zinc/18/02/68/656180268.db2.gz CPJWSAGXHARJIQ-QWRGUYRKSA-N 1 3 256.394 -0.136 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000702348546 656180270 /nfs/dbraw/zinc/18/02/70/656180270.db2.gz CPJWSAGXHARJIQ-QWRGUYRKSA-N 1 3 256.394 -0.136 20 0 CBADHO CN1C[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702469901 656181628 /nfs/dbraw/zinc/18/16/28/656181628.db2.gz IZWCSUPNEJNXDO-UPJWGTAASA-N 1 3 287.429 -0.048 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000703612591 656183556 /nfs/dbraw/zinc/18/35/56/656183556.db2.gz VXHVRVIMJTWQQZ-WHOHXGKFSA-N 1 3 253.346 -0.297 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000710128310 656197000 /nfs/dbraw/zinc/19/70/00/656197000.db2.gz PEUSHDNCMFPIRT-IJLUTSLNSA-N 1 3 267.373 -0.036 20 0 CBADHO CNC(=O)NC(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000710570677 656198520 /nfs/dbraw/zinc/19/85/20/656198520.db2.gz MYMDPYAAWRSKTP-UHFFFAOYSA-N 1 3 286.376 -0.779 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270163 656206964 /nfs/dbraw/zinc/20/69/64/656206964.db2.gz BKITUCOBQHKBKM-ZDUSSCGKSA-N 1 3 282.432 -0.014 20 0 CBADHO C[NH+](C)CC1(O)CCN(CCn2cnnn2)CC1 ZINC000712611885 656210460 /nfs/dbraw/zinc/21/04/60/656210460.db2.gz AATOIQMTFFTFMA-UHFFFAOYSA-N 1 3 254.338 -0.938 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715129761 656218750 /nfs/dbraw/zinc/21/87/50/656218750.db2.gz TTXULVCTGCUPTK-QWRGUYRKSA-N 1 3 290.358 -0.420 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000715540944 656220132 /nfs/dbraw/zinc/22/01/32/656220132.db2.gz URWQDUIGUPAELQ-UWVGGRQHSA-N 1 3 261.391 -0.250 20 0 CBADHO O=C(N1CCN2C[C@H](O)C[C@H]2C1)C12CC[NH+](CC1)C2 ZINC000715863927 656220970 /nfs/dbraw/zinc/22/09/70/656220970.db2.gz LMYORDDMKZFZBP-NWDGAFQWSA-N 1 3 265.357 -0.640 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399655 656247241 /nfs/dbraw/zinc/24/72/41/656247241.db2.gz OMSPJCQLMSHVRY-NQBHXWOUSA-N 1 3 253.346 -0.234 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)C1 ZINC000884787053 656255032 /nfs/dbraw/zinc/25/50/32/656255032.db2.gz FJDHHAAOQPWVPU-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787655 656255050 /nfs/dbraw/zinc/25/50/50/656255050.db2.gz YKWQAAXGEZAPIA-XQQFMLRXSA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194755 656260256 /nfs/dbraw/zinc/26/02/56/656260256.db2.gz DCMVEVYCFUSZRJ-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892439268 656271471 /nfs/dbraw/zinc/27/14/71/656271471.db2.gz MHZXZICIAOUBJP-YRGRVCCFSA-N 1 3 284.404 -0.130 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756049 656322539 /nfs/dbraw/zinc/32/25/39/656322539.db2.gz ONZTXJRYPPOGSI-GXTWGEPZSA-N 1 3 284.404 -0.042 20 0 CBADHO c1cc(N2CC[NH2+]CC2)oc1CNC[C@H]1COCCN1 ZINC000904380855 656325703 /nfs/dbraw/zinc/32/57/03/656325703.db2.gz IRGWEBWSDYMMCV-LBPRGKRZSA-N 1 3 280.372 -0.233 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905002195 656332254 /nfs/dbraw/zinc/33/22/54/656332254.db2.gz RNVBXDSNLFKFQH-FZMZJTMJSA-N 1 3 282.388 -0.654 20 0 CBADHO COCC[N@H+](C)CCCNC[C@@H](O)C1(O)CCOCC1 ZINC000905036733 656336025 /nfs/dbraw/zinc/33/60/25/656336025.db2.gz UKVDOZSKMKGWAM-CYBMUJFWSA-N 1 3 290.404 -0.553 20 0 CBADHO COCC[N@@H+](C)CCCNC[C@@H](O)C1(O)CCOCC1 ZINC000905036733 656336027 /nfs/dbraw/zinc/33/60/27/656336027.db2.gz UKVDOZSKMKGWAM-CYBMUJFWSA-N 1 3 290.404 -0.553 20 0 CBADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000905081574 656336989 /nfs/dbraw/zinc/33/69/89/656336989.db2.gz IGSKDKHIRLGVEL-QWHCGFSZSA-N 1 3 299.415 -0.561 20 0 CBADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000905081572 656337404 /nfs/dbraw/zinc/33/74/04/656337404.db2.gz IGSKDKHIRLGVEL-CHWSQXEVSA-N 1 3 299.415 -0.561 20 0 CBADHO O[C@@H](CN[C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100391 656338728 /nfs/dbraw/zinc/33/87/28/656338728.db2.gz DRCHZLFBRVBVLL-KGLIPLIRSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@@H](CN[C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100391 656338733 /nfs/dbraw/zinc/33/87/33/656338733.db2.gz DRCHZLFBRVBVLL-KGLIPLIRSA-N 1 3 284.400 -0.037 20 0 CBADHO C[NH+]1CCC(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996249653 656405268 /nfs/dbraw/zinc/40/52/68/656405268.db2.gz QGADODCUWLAZIX-GFCCVEGCSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614396 656446695 /nfs/dbraw/zinc/44/66/95/656446695.db2.gz NCBVPEOCHISPKC-GHMZBOCLSA-N 1 3 282.388 -0.750 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996614396 656446702 /nfs/dbraw/zinc/44/67/02/656446702.db2.gz NCBVPEOCHISPKC-GHMZBOCLSA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000997010187 656463743 /nfs/dbraw/zinc/46/37/43/656463743.db2.gz RDQVUSAPUZKHSU-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997008011 656463894 /nfs/dbraw/zinc/46/38/94/656463894.db2.gz SVSWAPVATGKIHB-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000997040663 656464203 /nfs/dbraw/zinc/46/42/03/656464203.db2.gz IICTWLBGIRTDNT-GFCCVEGCSA-N 1 3 293.371 -0.203 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC000997306304 656472675 /nfs/dbraw/zinc/47/26/75/656472675.db2.gz CDXKJIDBAKRUFE-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999146468 656612685 /nfs/dbraw/zinc/61/26/85/656612685.db2.gz WJGGGTFIWSTEDC-STQMWFEESA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999146468 656612694 /nfs/dbraw/zinc/61/26/94/656612694.db2.gz WJGGGTFIWSTEDC-STQMWFEESA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999467658 656630644 /nfs/dbraw/zinc/63/06/44/656630644.db2.gz DUXSUJZQXKYSJM-BMQDGWLCSA-N 1 3 266.345 -0.088 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC000999490512 656631066 /nfs/dbraw/zinc/63/10/66/656631066.db2.gz QPXOTGVPAFEWLJ-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC1 ZINC000999597319 656636924 /nfs/dbraw/zinc/63/69/24/656636924.db2.gz FDLASBXOMCGGHU-UHFFFAOYSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080214 656688184 /nfs/dbraw/zinc/68/81/84/656688184.db2.gz FHKWHHVXBKFSHT-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000191603 656699748 /nfs/dbraw/zinc/69/97/48/656699748.db2.gz JXPBTDSJUSMWFM-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000191607 656700345 /nfs/dbraw/zinc/70/03/45/656700345.db2.gz JXPBTDSJUSMWFM-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000198850 656702595 /nfs/dbraw/zinc/70/25/95/656702595.db2.gz LMPNWRUUTBKYSX-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC001000386248 656712087 /nfs/dbraw/zinc/71/20/87/656712087.db2.gz CFFZKQDNDGDIPS-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO NC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000704906 656759020 /nfs/dbraw/zinc/75/90/20/656759020.db2.gz ZYYLJBKAJVTBJB-LLVKDONJSA-N 1 3 280.372 -0.852 20 0 CBADHO O=C(NCC1=CCN(CCO)CC1)C12CC[NH+](CC1)C2 ZINC001001374685 656808306 /nfs/dbraw/zinc/80/83/06/656808306.db2.gz VXFCULJNCAPCSH-UHFFFAOYSA-N 1 3 279.384 -0.177 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910555044 656875615 /nfs/dbraw/zinc/87/56/15/656875615.db2.gz OOURRZOHXPKCDC-SWLSCSKDSA-N 1 3 296.415 -0.584 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910555044 656875618 /nfs/dbraw/zinc/87/56/18/656875618.db2.gz OOURRZOHXPKCDC-SWLSCSKDSA-N 1 3 296.415 -0.584 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCO)CC2)C1 ZINC001003970845 656878857 /nfs/dbraw/zinc/87/88/57/656878857.db2.gz LGFUVCGWHCYNDQ-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCO)CC2)C1 ZINC001003970845 656878859 /nfs/dbraw/zinc/87/88/59/656878859.db2.gz LGFUVCGWHCYNDQ-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CCCCC1 ZINC000910947437 656908710 /nfs/dbraw/zinc/90/87/10/656908710.db2.gz YNGFJKYIZINGCX-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCCCC1 ZINC000910946436 656909914 /nfs/dbraw/zinc/90/99/14/656909914.db2.gz LRIMHTQLCNTCBS-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCCCC1 ZINC000910945725 656909985 /nfs/dbraw/zinc/90/99/85/656909985.db2.gz DZTRMUPCSDRRPC-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CCCCC1 ZINC000910947438 656910108 /nfs/dbraw/zinc/91/01/08/656910108.db2.gz YNGFJKYIZINGCX-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911056662 656938461 /nfs/dbraw/zinc/93/84/61/656938461.db2.gz XQNLKFSSNZEIOU-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000911160308 656966600 /nfs/dbraw/zinc/96/66/00/656966600.db2.gz AVJDNEIDQGXSEQ-YNEHKIRRSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911161536 656968381 /nfs/dbraw/zinc/96/83/81/656968381.db2.gz LONXZRQVJSMZFP-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911208141 656984785 /nfs/dbraw/zinc/98/47/85/656984785.db2.gz JXQIVVQIRGDNGM-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911336809 657022266 /nfs/dbraw/zinc/02/22/66/657022266.db2.gz NVQJXNYLAWCCCC-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911338111 657022643 /nfs/dbraw/zinc/02/26/43/657022643.db2.gz XXFLAMIDRATPJY-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911349297 657026219 /nfs/dbraw/zinc/02/62/19/657026219.db2.gz YUFWPEJVYLHATO-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CCN(C)C ZINC000911396737 657034903 /nfs/dbraw/zinc/03/49/03/657034903.db2.gz ZQYWBKJVXOHNPL-VXGBXAGGSA-N 1 3 284.404 -0.632 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000911504318 657058501 /nfs/dbraw/zinc/05/85/01/657058501.db2.gz XIJAYOAWTIGNCN-NSHDSACASA-N 1 3 280.372 -0.709 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911519429 657065354 /nfs/dbraw/zinc/06/53/54/657065354.db2.gz AUUHWJVQKGRIJB-JTQLQIEISA-N 1 3 270.377 -0.879 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911519430 657065422 /nfs/dbraw/zinc/06/54/22/657065422.db2.gz AUUHWJVQKGRIJB-SNVBAGLBSA-N 1 3 270.377 -0.879 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527514 657067573 /nfs/dbraw/zinc/06/75/73/657067573.db2.gz GPTGKNJFALWHMZ-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911531549 657068370 /nfs/dbraw/zinc/06/83/70/657068370.db2.gz HUROCAVSLOIYDZ-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911534574 657069612 /nfs/dbraw/zinc/06/96/12/657069612.db2.gz UYJKFSZIPMYNDW-UHFFFAOYSA-N 1 3 270.377 -0.748 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000911534978 657069756 /nfs/dbraw/zinc/06/97/56/657069756.db2.gz XNRVLFJSPVGFHS-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000911532084 657070526 /nfs/dbraw/zinc/07/05/26/657070526.db2.gz KETRSHPHHZKZIM-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001009507897 657076928 /nfs/dbraw/zinc/07/69/28/657076928.db2.gz INZYKNGMYKTVSA-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001009507897 657076933 /nfs/dbraw/zinc/07/69/33/657076933.db2.gz INZYKNGMYKTVSA-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559201 657077746 /nfs/dbraw/zinc/07/77/46/657077746.db2.gz CBLSPYOKNVOADW-SRVKXCTJSA-N 1 3 282.388 -0.560 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCC1(C)C ZINC000911562619 657078926 /nfs/dbraw/zinc/07/89/26/657078926.db2.gz FRKAEOAWROGBOT-HAQNSBGRSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000911753803 657122338 /nfs/dbraw/zinc/12/23/38/657122338.db2.gz QRBDVKPXKXDHTJ-PWSUYJOCSA-N 1 3 254.378 -0.524 20 0 CBADHO C[NH2+]CC1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000911777429 657126602 /nfs/dbraw/zinc/12/66/02/657126602.db2.gz KSOQDCFFYGCYLD-GFCCVEGCSA-N 1 3 254.378 -0.652 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911796272 657131606 /nfs/dbraw/zinc/13/16/06/657131606.db2.gz NGIOJIANHJYCRB-LOWVWBTDSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911828821 657141038 /nfs/dbraw/zinc/14/10/38/657141038.db2.gz DGTWHNCDDVJZBY-YPMHNXCESA-N 1 3 256.394 -0.230 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCO)C2)CC[N@@H+]1C ZINC001014481993 657363447 /nfs/dbraw/zinc/36/34/47/657363447.db2.gz BUPYXFCVFGEMLS-FRRDWIJNSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCO)C2)CC[N@H+]1C ZINC001014481993 657363449 /nfs/dbraw/zinc/36/34/49/657363449.db2.gz BUPYXFCVFGEMLS-FRRDWIJNSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015654535 657504058 /nfs/dbraw/zinc/50/40/58/657504058.db2.gz YVQJSLWBCCWULP-DGCLKSJQSA-N 1 3 269.389 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001016248620 657669777 /nfs/dbraw/zinc/66/97/77/657669777.db2.gz CFCGTRKGSIRNQJ-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001016248620 657669782 /nfs/dbraw/zinc/66/97/82/657669782.db2.gz CFCGTRKGSIRNQJ-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018938144 657854065 /nfs/dbraw/zinc/85/40/65/657854065.db2.gz BLXOXUKZFSKYBI-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018938144 657854068 /nfs/dbraw/zinc/85/40/68/657854068.db2.gz BLXOXUKZFSKYBI-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)C1CC1 ZINC001018967551 657856183 /nfs/dbraw/zinc/85/61/83/657856183.db2.gz FUGDDFZGCBWXSG-NWDGAFQWSA-N 1 3 255.362 -0.491 20 0 CBADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001018971569 657856295 /nfs/dbraw/zinc/85/62/95/657856295.db2.gz HTRBUNFFBFXGMD-WCQYABFASA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001018999511 657857967 /nfs/dbraw/zinc/85/79/67/657857967.db2.gz VUEPKXXTDFNNLN-SRVKXCTJSA-N 1 3 284.404 -0.363 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1)[NH+](C)C ZINC001019000684 657858238 /nfs/dbraw/zinc/85/82/38/657858238.db2.gz JCGOVZLUFYSQCT-AVGNSLFASA-N 1 3 296.415 -0.348 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001019034741 657859040 /nfs/dbraw/zinc/85/90/40/657859040.db2.gz NCVNEOCIKBBMTI-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001019241675 657876086 /nfs/dbraw/zinc/87/60/86/657876086.db2.gz TYDZYZJKZFYOFZ-SDDRHHMPSA-N 1 3 255.362 -0.348 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019652453 657926099 /nfs/dbraw/zinc/92/60/99/657926099.db2.gz MPJISPSOPRDEFT-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019652453 657926102 /nfs/dbraw/zinc/92/61/02/657926102.db2.gz MPJISPSOPRDEFT-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000922161172 658013720 /nfs/dbraw/zinc/01/37/20/658013720.db2.gz UFHFQDHOFRYGHK-WZRBSPASSA-N 1 3 255.362 -0.348 20 0 CBADHO CCN1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000922161172 658013734 /nfs/dbraw/zinc/01/37/34/658013734.db2.gz UFHFQDHOFRYGHK-WZRBSPASSA-N 1 3 255.362 -0.348 20 0 CBADHO CN1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000922608353 658061693 /nfs/dbraw/zinc/06/16/93/658061693.db2.gz RPBJFERJAVPQNP-GFCCVEGCSA-N 1 3 270.377 -0.288 20 0 CBADHO CN1CC[C@@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000922608353 658061706 /nfs/dbraw/zinc/06/17/06/658061706.db2.gz RPBJFERJAVPQNP-GFCCVEGCSA-N 1 3 270.377 -0.288 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588870 658076634 /nfs/dbraw/zinc/07/66/34/658076634.db2.gz OZQFXYJTPGIYSB-CYDGBPFRSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001020591961 658078784 /nfs/dbraw/zinc/07/87/84/658078784.db2.gz XTYPKVKXJLJPPX-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)CN(CC(N)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305684 658196904 /nfs/dbraw/zinc/19/69/04/658196904.db2.gz MQASVHBGQCWGLV-LLVKDONJSA-N 1 3 255.362 -0.192 20 0 CBADHO O=C1NCCN1[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309160 658202604 /nfs/dbraw/zinc/20/26/04/658202604.db2.gz SUNWDJRPLNLFCJ-OLZOCXBDSA-N 1 3 294.399 -0.146 20 0 CBADHO C[C@H](O)CN1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923322376 658208424 /nfs/dbraw/zinc/20/84/24/658208424.db2.gz KRGJGRANZFEFDV-RDBSUJKOSA-N 1 3 283.416 -0.248 20 0 CBADHO CN1CC(=O)N(CCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000923331389 658217192 /nfs/dbraw/zinc/21/71/92/658217192.db2.gz GIAFYNZVGNJQEQ-TUAOUCFPSA-N 1 3 280.372 -0.060 20 0 CBADHO Cc1cc(C)cc(OC[C@@H](O)CNC(CN)C[NH3+])c1 ZINC000923356915 658228332 /nfs/dbraw/zinc/22/83/32/658228332.db2.gz QPEQXBFDHOAELX-ZDUSSCGKSA-N 1 3 267.373 -0.081 20 0 CBADHO NC[C@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923426435 658274497 /nfs/dbraw/zinc/27/44/97/658274497.db2.gz DRVRNLICTDMSKX-AGIUHOORSA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@H]1CCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923426435 658274508 /nfs/dbraw/zinc/27/45/08/658274508.db2.gz DRVRNLICTDMSKX-AGIUHOORSA-N 1 3 258.362 -0.034 20 0 CBADHO CCc1nc([C@H](C)N2CCNCC[NH2+]CC2)n[nH]1 ZINC000923460826 658292480 /nfs/dbraw/zinc/29/24/80/658292480.db2.gz WLBMGEBBJPMPJE-JTQLQIEISA-N 1 3 252.366 -0.077 20 0 CBADHO COCCCS(=O)(=O)NCCN1CC[C@H](CC[NH3+])C1 ZINC000923480887 658302281 /nfs/dbraw/zinc/30/22/81/658302281.db2.gz CHYUWUAYOMQRBU-LBPRGKRZSA-N 1 3 293.433 -0.387 20 0 CBADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H](CC[NH3+])C2)C1 ZINC000923493120 658308108 /nfs/dbraw/zinc/30/81/08/658308108.db2.gz RIQXVMVFYLAAKY-KBPBESRZSA-N 1 3 296.415 -0.216 20 0 CBADHO COC(=O)CCNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500598 658309802 /nfs/dbraw/zinc/30/98/02/658309802.db2.gz WCWBBHPVMHKWMS-WDEREUQCSA-N 1 3 271.361 -0.418 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502931 658310687 /nfs/dbraw/zinc/31/06/87/658310687.db2.gz FCULKTXZZHEACX-KXUCPTDWSA-N 1 3 256.350 -0.253 20 0 CBADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000923519363 658313083 /nfs/dbraw/zinc/31/30/83/658313083.db2.gz RGMMNJPUXURLAR-QWHCGFSZSA-N 1 3 267.373 -0.223 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923562114 658327048 /nfs/dbraw/zinc/32/70/48/658327048.db2.gz DIPKLXULNPWUPB-QWRGUYRKSA-N 1 3 276.406 -0.662 20 0 CBADHO [NH3+][C@@H](CNS(=O)(=O)C1CNC1)c1ccccc1 ZINC000923568481 658332726 /nfs/dbraw/zinc/33/27/26/658332726.db2.gz FMHCOXDBZDYARO-NSHDSACASA-N 1 3 255.343 -0.422 20 0 CBADHO [NH3+]CCCOC1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923575547 658337225 /nfs/dbraw/zinc/33/72/25/658337225.db2.gz DYGBKYNXRLJJOZ-UHFFFAOYSA-N 1 3 277.390 -0.882 20 0 CBADHO CN(C)C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923612119 658351889 /nfs/dbraw/zinc/35/18/89/658351889.db2.gz MQTPHOCWXJTGEN-NEPJUHHUSA-N 1 3 291.417 -0.669 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)C2CNC2)C1 ZINC000923630364 658365110 /nfs/dbraw/zinc/36/51/10/658365110.db2.gz XCWIYMLFLSZXKK-JQWIXIFHSA-N 1 3 273.402 -0.296 20 0 CBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)C2CNC2)C1 ZINC000923630364 658365121 /nfs/dbraw/zinc/36/51/21/658365121.db2.gz XCWIYMLFLSZXKK-JQWIXIFHSA-N 1 3 273.402 -0.296 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923645957 658372553 /nfs/dbraw/zinc/37/25/53/658372553.db2.gz QEERPDUEZITKJT-NWDGAFQWSA-N 1 3 287.429 0.000 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000923644656 658373508 /nfs/dbraw/zinc/37/35/08/658373508.db2.gz KHJIUGHCKUDHHE-UHFFFAOYSA-N 1 3 259.375 -0.637 20 0 CBADHO C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000923647576 658373921 /nfs/dbraw/zinc/37/39/21/658373921.db2.gz NDDBNTQEPNFLOG-MNOVXSKESA-N 1 3 276.406 -0.947 20 0 CBADHO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNCC1 ZINC000923667598 658389208 /nfs/dbraw/zinc/38/92/08/658389208.db2.gz UXWNLLRCSLHSHA-ZSBIGDGJSA-N 1 3 288.417 -0.743 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923667928 658389838 /nfs/dbraw/zinc/38/98/38/658389838.db2.gz PQNZWMPFALXPDU-SECBINFHSA-N 1 3 261.391 -0.344 20 0 CBADHO CC1(C)CCNCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923666545 658390440 /nfs/dbraw/zinc/39/04/40/658390440.db2.gz SASHLGVRBAENCY-UHFFFAOYSA-N 1 3 276.406 -0.790 20 0 CBADHO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)N1CCNCC1 ZINC000923672677 658393225 /nfs/dbraw/zinc/39/32/25/658393225.db2.gz XCAYMADDOYGCOE-WDEREUQCSA-N 1 3 274.390 -0.989 20 0 CBADHO CC[NH+](CC)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925271898 658814456 /nfs/dbraw/zinc/81/44/56/658814456.db2.gz KRCVXAAIOUHVEQ-SNVBAGLBSA-N 1 3 256.350 -0.190 20 0 CBADHO CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925300529 658819523 /nfs/dbraw/zinc/81/95/23/658819523.db2.gz WLVMMYHFEMBXSL-WDEREUQCSA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925300529 658819527 /nfs/dbraw/zinc/81/95/27/658819527.db2.gz WLVMMYHFEMBXSL-WDEREUQCSA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925300524 658819683 /nfs/dbraw/zinc/81/96/83/658819683.db2.gz WLVMMYHFEMBXSL-GHMZBOCLSA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925300524 658819688 /nfs/dbraw/zinc/81/96/88/658819688.db2.gz WLVMMYHFEMBXSL-GHMZBOCLSA-N 1 3 268.361 -0.047 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341780 658830810 /nfs/dbraw/zinc/83/08/10/658830810.db2.gz JPFLLQRZCGKEOZ-YVECIDJPSA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341780 658830813 /nfs/dbraw/zinc/83/08/13/658830813.db2.gz JPFLLQRZCGKEOZ-YVECIDJPSA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000925346774 658833188 /nfs/dbraw/zinc/83/31/88/658833188.db2.gz VTQBGVDFIAZQQN-TUAOUCFPSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000925346774 658833195 /nfs/dbraw/zinc/83/31/95/658833195.db2.gz VTQBGVDFIAZQQN-TUAOUCFPSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961765682 658833175 /nfs/dbraw/zinc/83/31/75/658833175.db2.gz RITJPAHYDIOTDB-CIQGVGRVSA-N 1 3 267.373 -0.633 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961765682 658833177 /nfs/dbraw/zinc/83/31/77/658833177.db2.gz RITJPAHYDIOTDB-CIQGVGRVSA-N 1 3 267.373 -0.633 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925415972 658842356 /nfs/dbraw/zinc/84/23/56/658842356.db2.gz BGHOZBXTRLULRW-RWMBFGLXSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925415972 658842358 /nfs/dbraw/zinc/84/23/58/658842358.db2.gz BGHOZBXTRLULRW-RWMBFGLXSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1NCCC[C@@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000925492345 658856711 /nfs/dbraw/zinc/85/67/11/658856711.db2.gz SRVYXUCTLYIXSJ-STQMWFEESA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@H](CN[C@@H]1C[NH2+]CCOC1)N1CCN(C)CC1 ZINC000925496360 658856785 /nfs/dbraw/zinc/85/67/85/658856785.db2.gz QSBJAWDWVXICTJ-CHWSQXEVSA-N 1 3 256.394 -0.800 20 0 CBADHO C[C@H]1NCCC[C@@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000925492339 658857275 /nfs/dbraw/zinc/85/72/75/658857275.db2.gz SRVYXUCTLYIXSJ-OLZOCXBDSA-N 1 3 268.405 -0.119 20 0 CBADHO CCN1CCN([C@H](C)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925546784 658858298 /nfs/dbraw/zinc/85/82/98/658858298.db2.gz KPTLNDBEKLUQCN-KGLIPLIRSA-N 1 3 270.421 -0.410 20 0 CBADHO CN1CCN(C(C)(C)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925606598 658862262 /nfs/dbraw/zinc/86/22/62/658862262.db2.gz ONQOVKMVNTUIAW-ZDUSSCGKSA-N 1 3 270.421 -0.410 20 0 CBADHO OCCN1CCCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925681163 658866043 /nfs/dbraw/zinc/86/60/43/658866043.db2.gz SYRBXSNTMJYPLM-QWHCGFSZSA-N 1 3 257.378 -0.589 20 0 CBADHO N[C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)C12CCC2 ZINC000925727981 658868791 /nfs/dbraw/zinc/86/87/91/658868791.db2.gz RRYLOMWXDUHHJN-YRGRVCCFSA-N 1 3 295.383 -0.526 20 0 CBADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817431 658873310 /nfs/dbraw/zinc/87/33/10/658873310.db2.gz SDMGHVZGCUCRSX-QWHCGFSZSA-N 1 3 284.404 -0.707 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1[NH3+] ZINC000926327752 658893007 /nfs/dbraw/zinc/89/30/07/658893007.db2.gz ZJUQOOHZFRCTEJ-FRRDWIJNSA-N 1 3 294.399 -0.511 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926359583 658896955 /nfs/dbraw/zinc/89/69/55/658896955.db2.gz JCWPRHIYKJYDMW-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC000969722435 659012975 /nfs/dbraw/zinc/01/29/75/659012975.db2.gz PJNYIGOSUGGDAG-SDDRHHMPSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC000969722435 659012985 /nfs/dbraw/zinc/01/29/85/659012985.db2.gz PJNYIGOSUGGDAG-SDDRHHMPSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000928441901 659021754 /nfs/dbraw/zinc/02/17/54/659021754.db2.gz PXQRHDWAZWZOEQ-AGIUHOORSA-N 1 3 266.389 -0.415 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000928441901 659021759 /nfs/dbraw/zinc/02/17/59/659021759.db2.gz PXQRHDWAZWZOEQ-AGIUHOORSA-N 1 3 266.389 -0.415 20 0 CBADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC000970712321 659067917 /nfs/dbraw/zinc/06/79/17/659067917.db2.gz MFVFTVGYIQZDAF-VXGBXAGGSA-N 1 3 292.387 -0.245 20 0 CBADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC000970712321 659067921 /nfs/dbraw/zinc/06/79/21/659067921.db2.gz MFVFTVGYIQZDAF-VXGBXAGGSA-N 1 3 292.387 -0.245 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970717179 659068035 /nfs/dbraw/zinc/06/80/35/659068035.db2.gz KGUJPRSLKANTEQ-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC000970792742 659070834 /nfs/dbraw/zinc/07/08/34/659070834.db2.gz UGBDIRPFFNTMAH-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829806 659482815 /nfs/dbraw/zinc/48/28/15/659482815.db2.gz SMJGSYGLXNNTIU-PWSUYJOCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN1CCCC1 ZINC000989798840 659615154 /nfs/dbraw/zinc/61/51/54/659615154.db2.gz GQBCWFTWVQGIDY-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CN1CCCC1 ZINC000989796664 659615577 /nfs/dbraw/zinc/61/55/77/659615577.db2.gz PCXKAQPIYKPMID-RYUDHWBXSA-N 1 3 255.362 -0.347 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990276327 659710707 /nfs/dbraw/zinc/71/07/07/659710707.db2.gz HEVKCQGFOMSUOH-LLVKDONJSA-N 1 3 268.361 -0.854 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000990275946 659710974 /nfs/dbraw/zinc/71/09/74/659710974.db2.gz FNYUMRKERIDVJK-STQMWFEESA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990276328 659711029 /nfs/dbraw/zinc/71/10/29/659711029.db2.gz HEVKCQGFOMSUOH-NSHDSACASA-N 1 3 268.361 -0.854 20 0 CBADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000991708329 659841510 /nfs/dbraw/zinc/84/15/10/659841510.db2.gz FKTBXKVVSDLFHE-WCQYABFASA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000991708329 659841511 /nfs/dbraw/zinc/84/15/11/659841511.db2.gz FKTBXKVVSDLFHE-WCQYABFASA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000935980291 659848993 /nfs/dbraw/zinc/84/89/93/659848993.db2.gz HHSVJOFOHAQMCO-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000935980291 659848994 /nfs/dbraw/zinc/84/89/94/659848994.db2.gz HHSVJOFOHAQMCO-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO C[NH+]1CCC(OCC(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000935983431 659849063 /nfs/dbraw/zinc/84/90/63/659849063.db2.gz CJAIBFUXBHMKOV-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC000939809003 659895236 /nfs/dbraw/zinc/89/52/36/659895236.db2.gz HJCXDCYHTOSJSW-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CC1 ZINC000995896563 659910785 /nfs/dbraw/zinc/91/07/85/659910785.db2.gz ORTHCKMPFSMMJK-AAEUAGOBSA-N 1 3 296.415 -0.362 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)N(C)C ZINC000995951543 659919903 /nfs/dbraw/zinc/91/99/03/659919903.db2.gz PUHYDVPIENGDNG-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[N@H+](CCCN(C)C)C[C@H](O)CN1CCOCC1 ZINC000382160292 790523156 /nfs/dbraw/zinc/52/31/56/790523156.db2.gz CHJPDBHSGONFLR-AWEZNQCLSA-N 1 3 273.421 -0.047 20 0 CBADHO CC[N@@H+](CCCN(C)C)C[C@H](O)CN1CCOCC1 ZINC000382160292 790523165 /nfs/dbraw/zinc/52/31/65/790523165.db2.gz CHJPDBHSGONFLR-AWEZNQCLSA-N 1 3 273.421 -0.047 20 0 CBADHO C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000386227996 790544519 /nfs/dbraw/zinc/54/45/19/790544519.db2.gz PJWXITSTWATDHB-GHMZBOCLSA-N 1 3 276.406 -0.839 20 0 CBADHO COC1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000386056981 790546271 /nfs/dbraw/zinc/54/62/71/790546271.db2.gz GMDSBRVWBGDCRN-QWHCGFSZSA-N 1 3 297.399 -0.266 20 0 CBADHO C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000386227998 790546603 /nfs/dbraw/zinc/54/66/03/790546603.db2.gz PJWXITSTWATDHB-QWRGUYRKSA-N 1 3 276.406 -0.839 20 0 CBADHO CNC(=O)CN1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396552776 790582309 /nfs/dbraw/zinc/58/23/09/790582309.db2.gz PMBVDKPFCFQZMO-AAEUAGOBSA-N 1 3 268.405 -0.073 20 0 CBADHO OC[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397508896 790592320 /nfs/dbraw/zinc/59/23/20/790592320.db2.gz GJHGORHQZJEKNO-OAHLLOKOSA-N 1 3 294.395 -0.044 20 0 CBADHO CN(CCN1CC[NH2+]CC1)CC1CCS(=O)(=O)CC1 ZINC000692912355 790678605 /nfs/dbraw/zinc/67/86/05/790678605.db2.gz JIBYSLIQEHFNFV-UHFFFAOYSA-N 1 3 289.445 -0.352 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000693575435 790682114 /nfs/dbraw/zinc/68/21/14/790682114.db2.gz VXHVRVIMJTWQQZ-BJDJZHNGSA-N 1 3 253.346 -0.297 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720885041 790772995 /nfs/dbraw/zinc/77/29/95/790772995.db2.gz CEKOCXBPVWRQEL-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCNCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720885041 790773003 /nfs/dbraw/zinc/77/30/03/790773003.db2.gz CEKOCXBPVWRQEL-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000720905578 790774870 /nfs/dbraw/zinc/77/48/70/790774870.db2.gz DJTAGSOKGNHCDT-FIQHERPVSA-N 1 3 253.346 -0.202 20 0 CBADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 ZINC000723672848 790803423 /nfs/dbraw/zinc/80/34/23/790803423.db2.gz SMCKJWBHEMKMJU-NEPJUHHUSA-N 1 3 255.362 -0.048 20 0 CBADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000723672851 790803505 /nfs/dbraw/zinc/80/35/05/790803505.db2.gz 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CC[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893450 814924508 /nfs/dbraw/zinc/92/45/08/814924508.db2.gz QQEJTYQKSJKDFK-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893450 814924512 /nfs/dbraw/zinc/92/45/12/814924512.db2.gz QQEJTYQKSJKDFK-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147892966 814925266 /nfs/dbraw/zinc/92/52/66/814925266.db2.gz MMZJAJAZYMJEGG-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CC[C@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147892966 814925272 /nfs/dbraw/zinc/92/52/72/814925272.db2.gz MMZJAJAZYMJEGG-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011653 805821530 /nfs/dbraw/zinc/82/15/30/805821530.db2.gz APJKHGANAFSJFF-CHWSQXEVSA-N 1 3 281.400 -0.101 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012177 805823139 /nfs/dbraw/zinc/82/31/39/805823139.db2.gz 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806468395 /nfs/dbraw/zinc/46/83/95/806468395.db2.gz LLHOPEBMLKXWAO-UPJWGTAASA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954848 806468398 /nfs/dbraw/zinc/46/83/98/806468398.db2.gz LLHOPEBMLKXWAO-UPJWGTAASA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056698 806481019 /nfs/dbraw/zinc/48/10/19/806481019.db2.gz KHRULUZXFJQEPY-UPJWGTAASA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056698 806481025 /nfs/dbraw/zinc/48/10/25/806481025.db2.gz KHRULUZXFJQEPY-UPJWGTAASA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2CCO)C1 ZINC001085782240 806609513 /nfs/dbraw/zinc/60/95/13/806609513.db2.gz PQZWJMWDLGLTDC-UONOGXRCSA-N 1 3 299.415 -0.379 20 0 CBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2CCO)C1 ZINC001085782240 806609521 /nfs/dbraw/zinc/60/95/21/806609521.db2.gz PQZWJMWDLGLTDC-UONOGXRCSA-N 1 3 299.415 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/nfs/dbraw/zinc/53/36/98/799533698.db2.gz OILBZQODFMZULL-CHWSQXEVSA-N 1 3 267.373 -0.083 20 0 CBADHO CCN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688947 799533701 /nfs/dbraw/zinc/53/37/01/799533701.db2.gz OILBZQODFMZULL-CHWSQXEVSA-N 1 3 267.373 -0.083 20 0 CBADHO CCN1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856875 799552319 /nfs/dbraw/zinc/55/23/19/799552319.db2.gz LADFTCXEXFRXEP-GLWUULTISA-N 1 3 279.384 -0.083 20 0 CBADHO CCN1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856875 799552324 /nfs/dbraw/zinc/55/23/24/799552324.db2.gz LADFTCXEXFRXEP-GLWUULTISA-N 1 3 279.384 -0.083 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001033595743 799770010 /nfs/dbraw/zinc/77/00/10/799770010.db2.gz UWFVGKSDVNHVIM-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001033595743 799770014 /nfs/dbraw/zinc/77/00/14/799770014.db2.gz UWFVGKSDVNHVIM-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596464 799771613 /nfs/dbraw/zinc/77/16/13/799771613.db2.gz ZSXKFKXUUCDXRI-OLZOCXBDSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034523968 799844725 /nfs/dbraw/zinc/84/47/25/799844725.db2.gz CVDBOLNBIVRWCC-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034523968 799844730 /nfs/dbraw/zinc/84/47/30/799844730.db2.gz CVDBOLNBIVRWCC-STQMWFEESA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034736596 799854288 /nfs/dbraw/zinc/85/42/88/799854288.db2.gz XTPCSNUPTBLJEG-AVGNSLFASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001044629684 801660910 /nfs/dbraw/zinc/66/09/10/801660910.db2.gz ONYPWUDOSUYZFF-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750459 801667345 /nfs/dbraw/zinc/66/73/45/801667345.db2.gz OQNYJFRQADMXPU-VHSXEESVSA-N 1 3 279.344 -0.593 20 0 CBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CCC1 ZINC001048860379 801976513 /nfs/dbraw/zinc/97/65/13/801976513.db2.gz RKCMASJEUSZSDT-BETUJISGSA-N 1 3 281.400 -0.147 20 0 CBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CCC1 ZINC001048860379 801976517 /nfs/dbraw/zinc/97/65/17/801976517.db2.gz RKCMASJEUSZSDT-BETUJISGSA-N 1 3 281.400 -0.147 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001054298327 802333452 /nfs/dbraw/zinc/33/34/52/802333452.db2.gz FKHMPERYHUUPLC-UTUOFQBUSA-N 1 3 284.404 -0.219 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC001117978266 812461808 /nfs/dbraw/zinc/46/18/08/812461808.db2.gz HQGNMFULYMAOCY-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO NC(=O)CC[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001119683162 812865909 /nfs/dbraw/zinc/86/59/09/812865909.db2.gz ZHDPIWYIQGKGIX-RHYQMDGZSA-N 1 3 255.362 -0.186 20 0 CBADHO COCC[NH2+]CCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001121930823 813092263 /nfs/dbraw/zinc/09/22/63/813092263.db2.gz UVYLZJCVJWPBSW-SNVBAGLBSA-N 1 3 281.360 -0.358 20 0 CBADHO C[C@@H]1CCCN(C(=O)[C@@H]2CNCCN2C)[C@@H]1CC[NH3+] ZINC001122126609 813121387 /nfs/dbraw/zinc/12/13/87/813121387.db2.gz JEUGHKZRKLRRPI-UPJWGTAASA-N 1 3 268.405 -0.134 20 0 CBADHO COCC[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001122400341 813159869 /nfs/dbraw/zinc/15/98/69/813159869.db2.gz AOOZQBNHZUSJNZ-BDAKNGLRSA-N 1 3 265.304 -0.194 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001129356113 813837444 /nfs/dbraw/zinc/83/74/44/813837444.db2.gz BLXRQEKTGHAOCM-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329534 813837599 /nfs/dbraw/zinc/83/75/99/813837599.db2.gz YDNFHLSTJVEPSX-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329534 813837609 /nfs/dbraw/zinc/83/76/09/813837609.db2.gz YDNFHLSTJVEPSX-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328154 813837945 /nfs/dbraw/zinc/83/79/45/813837945.db2.gz MFXDGONJKPNDBG-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328154 813837952 /nfs/dbraw/zinc/83/79/52/813837952.db2.gz MFXDGONJKPNDBG-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001129357528 813838091 /nfs/dbraw/zinc/83/80/91/813838091.db2.gz NSRULLXCTIGVSI-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328164 813838200 /nfs/dbraw/zinc/83/82/00/813838200.db2.gz MFXDGONJKPNDBG-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328164 813838209 /nfs/dbraw/zinc/83/82/09/813838209.db2.gz MFXDGONJKPNDBG-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)N1CC[C@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133291689 814237215 /nfs/dbraw/zinc/23/72/15/814237215.db2.gz WKDLXIKKMHQLTI-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294632 814237256 /nfs/dbraw/zinc/23/72/56/814237256.db2.gz NWUVEEPMLIIRHJ-UHFFFAOYSA-N 1 3 258.366 -0.832 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@H](N)CCCNC(N)=O ZINC001160453970 815623246 /nfs/dbraw/zinc/62/32/46/815623246.db2.gz IEPCFDMMZMFYST-GFCCVEGCSA-N 1 3 299.419 -0.438 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001150598348 815037057 /nfs/dbraw/zinc/03/70/57/815037057.db2.gz ZTHDVMBIZMLJOB-KGLIPLIRSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001150598348 815037063 /nfs/dbraw/zinc/03/70/63/815037063.db2.gz ZTHDVMBIZMLJOB-KGLIPLIRSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001151049173 815051804 /nfs/dbraw/zinc/05/18/04/815051804.db2.gz JGXFIVPFQIVJIY-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001151049173 815051811 /nfs/dbraw/zinc/05/18/11/815051811.db2.gz JGXFIVPFQIVJIY-LBPRGKRZSA-N 1 3 282.388 -0.734 20 0 CBADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049040 815052406 /nfs/dbraw/zinc/05/24/06/815052406.db2.gz IDUYWYZJUGJHKV-LBPRGKRZSA-N 1 3 279.388 -0.114 20 0 CBADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049040 815052412 /nfs/dbraw/zinc/05/24/12/815052412.db2.gz IDUYWYZJUGJHKV-LBPRGKRZSA-N 1 3 279.388 -0.114 20 0 CBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049034 815052630 /nfs/dbraw/zinc/05/26/30/815052630.db2.gz HVGQUMNFQQEQDF-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049034 815052638 /nfs/dbraw/zinc/05/26/38/815052638.db2.gz HVGQUMNFQQEQDF-OLZOCXBDSA-N 1 3 298.431 -0.195 20 0 CBADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001070276483 805179477 /nfs/dbraw/zinc/17/94/77/805179477.db2.gz JBEGCYGUMSTRPX-AGIUHOORSA-N 1 3 294.403 -0.020 20 0 CBADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064977 815054966 /nfs/dbraw/zinc/05/49/66/815054966.db2.gz GLDGPJIOPKRQGB-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064977 815054970 /nfs/dbraw/zinc/05/49/70/815054970.db2.gz GLDGPJIOPKRQGB-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049711 815055514 /nfs/dbraw/zinc/05/55/14/815055514.db2.gz WXLYHQSEVWUSPP-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049711 815055521 /nfs/dbraw/zinc/05/55/21/815055521.db2.gz WXLYHQSEVWUSPP-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CCCC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065839 815056583 /nfs/dbraw/zinc/05/65/83/815056583.db2.gz NLNFATAENZXDNJ-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065839 815056588 /nfs/dbraw/zinc/05/65/88/815056588.db2.gz NLNFATAENZXDNJ-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)N(C)C ZINC001074710615 805468261 /nfs/dbraw/zinc/46/82/61/805468261.db2.gz AACMEGOFMWLYJW-GARJFASQSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074792954 805472382 /nfs/dbraw/zinc/47/23/82/805472382.db2.gz NAQCQNALCRDZKD-WUHRBBMRSA-N 1 3 294.399 -0.452 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(N)=O ZINC001075108836 805483511 /nfs/dbraw/zinc/48/35/11/805483511.db2.gz QLFQHTRSHIMTFC-SRVKXCTJSA-N 1 3 282.388 -0.465 20 0 CBADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075798667 805533931 /nfs/dbraw/zinc/53/39/31/805533931.db2.gz JZAIBZOJJSOQIG-RRFJBIMHSA-N 1 3 293.411 -0.147 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(N)=O ZINC001152149649 815107705 /nfs/dbraw/zinc/10/77/05/815107705.db2.gz ZZWPMKMVFSUSEK-UWVGGRQHSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N(C)C ZINC001152148417 815107906 /nfs/dbraw/zinc/10/79/06/815107906.db2.gz PPWKIYBUNVAWGJ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001152149561 815108169 /nfs/dbraw/zinc/10/81/69/815108169.db2.gz YOABEYZGMDOMOZ-TXEJJXNPSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001152149561 815108174 /nfs/dbraw/zinc/10/81/74/815108174.db2.gz YOABEYZGMDOMOZ-TXEJJXNPSA-N 1 3 296.415 -0.156 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NCCN[C@@H]1CCCNC1=O ZINC001152223550 815110911 /nfs/dbraw/zinc/11/09/11/815110911.db2.gz MUWMGWNQFAHDJN-CYBMUJFWSA-N 1 3 296.415 -0.153 20 0 CBADHO C[C@H](NCCNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001152245132 815112403 /nfs/dbraw/zinc/11/24/03/815112403.db2.gz AYAWXVAOOWXZGK-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152236837 815112691 /nfs/dbraw/zinc/11/26/91/815112691.db2.gz GEEXWCXXSKGXDR-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC1CC1 ZINC001152339735 815116713 /nfs/dbraw/zinc/11/67/13/815116713.db2.gz ASLZYLDGVFNRPK-UHFFFAOYSA-N 1 3 296.415 -0.153 20 0 CBADHO CC[C@H](NCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152349193 815116865 /nfs/dbraw/zinc/11/68/65/815116865.db2.gz WHZGUSJGCZLOCX-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001152432578 815121087 /nfs/dbraw/zinc/12/10/87/815121087.db2.gz LNFIQLGNHNYYFC-UHFFFAOYSA-N 1 3 267.377 -0.071 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)C(C)C)C(N)=O ZINC001152431754 815121478 /nfs/dbraw/zinc/12/14/78/815121478.db2.gz DDXHYNNFOMQWMC-SNVBAGLBSA-N 1 3 258.366 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001152445626 815122309 /nfs/dbraw/zinc/12/23/09/815122309.db2.gz KQXOSCZOLNQXGR-NSHDSACASA-N 1 3 284.404 -0.301 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1c[nH]c2nccnc12 ZINC001153201608 815154032 /nfs/dbraw/zinc/15/40/32/815154032.db2.gz UFNQNCRVARSMJX-UHFFFAOYSA-N 1 3 275.316 -0.016 20 0 CBADHO CNC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153309309 815157185 /nfs/dbraw/zinc/15/71/85/815157185.db2.gz LRSJBEXCVLIFBA-UHFFFAOYSA-N 1 3 284.404 -0.296 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnn2c1CCC2 ZINC001154056421 815197141 /nfs/dbraw/zinc/19/71/41/815197141.db2.gz HTXKQNTWMLGCAL-UHFFFAOYSA-N 1 3 264.333 -0.096 20 0 CBADHO Cc1cnc(N(CC[NH3+])S(C)(=O)=O)c(CN)c1 ZINC001154770601 815239545 /nfs/dbraw/zinc/23/95/45/815239545.db2.gz LXPPKBPCHSLLCY-UHFFFAOYSA-N 1 3 258.347 -0.427 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](CCO)C1 ZINC001160610471 815645394 /nfs/dbraw/zinc/64/53/94/815645394.db2.gz DCMRVCHMCRZMAD-RYUDHWBXSA-N 1 3 267.373 -0.584 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)CCNC3)N1 ZINC001155570634 815294450 /nfs/dbraw/zinc/29/44/50/815294450.db2.gz NWIGYJXOODKBSE-ZWNOBZJWSA-N 1 3 274.328 -0.888 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)CCNC3)N1 ZINC001155570633 815294460 /nfs/dbraw/zinc/29/44/60/815294460.db2.gz NWIGYJXOODKBSE-MFKMUULPSA-N 1 3 274.328 -0.888 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001155790709 815312272 /nfs/dbraw/zinc/31/22/72/815312272.db2.gz MOZMAXSKYZQEJN-LBPRGKRZSA-N 1 3 280.376 -0.495 20 0 CBADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155812496 815314658 /nfs/dbraw/zinc/31/46/58/815314658.db2.gz NTXUMQOQWRMVSK-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc2nccn2c1 ZINC001155921058 815321100 /nfs/dbraw/zinc/32/11/00/815321100.db2.gz RSPLZKUOGMMTNE-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnn2c1OCC2 ZINC001156194907 815344643 /nfs/dbraw/zinc/34/46/43/815344643.db2.gz TUIAXSWFLURSKF-UHFFFAOYSA-N 1 3 294.359 -0.047 20 0 CBADHO CC(C)(C(=O)N[C@H]1CCN(CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001090490667 810509030 /nfs/dbraw/zinc/50/90/30/810509030.db2.gz SUCYSZXOGQHFNB-STQMWFEESA-N 1 3 299.415 -0.596 20 0 CBADHO COCCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730391 810559964 /nfs/dbraw/zinc/55/99/64/810559964.db2.gz KZNOTAKISODJGK-QWHCGFSZSA-N 1 3 297.399 -0.720 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001096539975 810779962 /nfs/dbraw/zinc/77/99/62/810779962.db2.gz FCBFHHBBDCBSIB-RNJOBUHISA-N 1 3 267.373 -0.348 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)C1 ZINC001096539975 810779969 /nfs/dbraw/zinc/77/99/69/810779969.db2.gz FCBFHHBBDCBSIB-RNJOBUHISA-N 1 3 267.373 -0.348 20 0 CBADHO N=C(NCCCC[NH3+])Nc1cncc(C(N)=O)n1 ZINC001157097042 815404109 /nfs/dbraw/zinc/40/41/09/815404109.db2.gz RIFBYYYEFNFGIS-UHFFFAOYSA-N 1 3 251.294 -0.749 20 0 CBADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879962 810960320 /nfs/dbraw/zinc/96/03/20/810960320.db2.gz SLVWHZKEBZJZQW-UONOGXRCSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)C1CCC1 ZINC001099879962 810960324 /nfs/dbraw/zinc/96/03/24/810960324.db2.gz SLVWHZKEBZJZQW-UONOGXRCSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971098 810979642 /nfs/dbraw/zinc/97/96/42/810979642.db2.gz AMCFVGODDGYRRH-VXGBXAGGSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099973616 810982289 /nfs/dbraw/zinc/98/22/89/810982289.db2.gz GGXNJOUVKHVCJF-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971862 810982703 /nfs/dbraw/zinc/98/27/03/810982703.db2.gz NLHSUZXFDCNPNT-STQMWFEESA-N 1 3 299.415 -0.474 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100042120 811003991 /nfs/dbraw/zinc/00/39/91/811003991.db2.gz UBATWEDIAYTSGO-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100042120 811003998 /nfs/dbraw/zinc/00/39/98/811003998.db2.gz UBATWEDIAYTSGO-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100131258 811025310 /nfs/dbraw/zinc/02/53/10/811025310.db2.gz AIFFOUGBJLFVPU-STQMWFEESA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100131258 811025316 /nfs/dbraw/zinc/02/53/16/811025316.db2.gz AIFFOUGBJLFVPU-STQMWFEESA-N 1 3 287.404 -0.740 20 0 CBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCO)C1)N(C)C ZINC001100443624 811058385 /nfs/dbraw/zinc/05/83/85/811058385.db2.gz RSDVBOHDEDXFDS-HTAVTVPLSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100677057 811072077 /nfs/dbraw/zinc/07/20/77/811072077.db2.gz XNEOMPLNWTUWAO-PNESKVBLSA-N 1 3 269.389 -0.053 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100901516 811085073 /nfs/dbraw/zinc/08/50/73/811085073.db2.gz ANOAVNSEKGWETH-UHFFFAOYSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001101036160 811091514 /nfs/dbraw/zinc/09/15/14/811091514.db2.gz JESSDQRTCMDHMI-UHFFFAOYSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC001157336947 815425041 /nfs/dbraw/zinc/42/50/41/815425041.db2.gz QXLRKYGOKGVVOC-NKWVEPMBSA-N 1 3 284.282 -0.764 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102532413 811158813 /nfs/dbraw/zinc/15/88/13/811158813.db2.gz KTROJXYSQSBQGC-ZYHUDNBSSA-N 1 3 280.372 -0.063 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102532413 811158819 /nfs/dbraw/zinc/15/88/19/811158819.db2.gz KTROJXYSQSBQGC-ZYHUDNBSSA-N 1 3 280.372 -0.063 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103755402 811186317 /nfs/dbraw/zinc/18/63/17/811186317.db2.gz GBUINBPWUZGVNS-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103755402 811186322 /nfs/dbraw/zinc/18/63/22/811186322.db2.gz GBUINBPWUZGVNS-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001104348291 811201535 /nfs/dbraw/zinc/20/15/35/811201535.db2.gz CJQNYMUQUFMMGD-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105064195 811213947 /nfs/dbraw/zinc/21/39/47/811213947.db2.gz BRAXQPIEYGYUQR-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1)N(C)C ZINC001106309061 811303307 /nfs/dbraw/zinc/30/33/07/811303307.db2.gz OAPIEGHXVRJTAW-JHJVBQTASA-N 1 3 298.431 -0.243 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@H]1F ZINC001157536503 815442121 /nfs/dbraw/zinc/44/21/21/815442121.db2.gz NYXBMFUMDRAGLH-XQHKEYJVSA-N 1 3 284.379 -0.432 20 0 CBADHO N[C@H]1CN(C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)C[C@H]1F ZINC001157535954 815442475 /nfs/dbraw/zinc/44/24/75/815442475.db2.gz FUWJVVBVNYGXKQ-VHSKPIJISA-N 1 3 256.281 -0.998 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529174 815442773 /nfs/dbraw/zinc/44/27/73/815442773.db2.gz YLUIMFPOGZNGKB-ZDUSSCGKSA-N 1 3 286.395 -0.090 20 0 CBADHO N[C@H]1CN(C(=O)c2cccnc2N2CC[NH2+]CC2)C[C@H]1F ZINC001157548662 815444666 /nfs/dbraw/zinc/44/46/66/815444666.db2.gz SUQOEWUYXMGMHY-NEPJUHHUSA-N 1 3 293.346 -0.388 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545698 815444994 /nfs/dbraw/zinc/44/49/94/815444994.db2.gz YZHUUCSEPJYZEQ-NDBYEHHHSA-N 1 3 284.379 -0.290 20 0 CBADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978987 811506466 /nfs/dbraw/zinc/50/64/66/811506466.db2.gz OFDRQHNCMSIRQO-CRWXNKLISA-N 1 3 299.415 -0.333 20 0 CBADHO CCNC(=O)CN(C)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157679688 815453011 /nfs/dbraw/zinc/45/30/11/815453011.db2.gz VUKRXDCCFMUKJH-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCCO1 ZINC001157702863 815454040 /nfs/dbraw/zinc/45/40/40/815454040.db2.gz FDHLKYUYHJSCMI-GHMZBOCLSA-N 1 3 253.346 -0.567 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCCO1 ZINC001157702892 815454376 /nfs/dbraw/zinc/45/43/76/815454376.db2.gz FUHFRIMGPSYCCN-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001157714935 815455125 /nfs/dbraw/zinc/45/51/25/815455125.db2.gz APTVOKAGBIQAOV-LERXQTSPSA-N 1 3 299.346 -0.701 20 0 CBADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](N)Cc1cccc(O)c1 ZINC001157716107 815455168 /nfs/dbraw/zinc/45/51/68/815455168.db2.gz KTXUXCQYLYJNRS-ZIAGYGMSSA-N 1 3 293.367 -0.291 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)CC1CC[NH2+]CC1 ZINC001157715217 815455845 /nfs/dbraw/zinc/45/58/45/815455845.db2.gz CLIQUCIJXPFAQM-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157717333 815456750 /nfs/dbraw/zinc/45/67/50/815456750.db2.gz ZMBYRKGQNRDHSR-SRVKXCTJSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)CCCCNC(N)=[NH2+] ZINC001157721009 815457181 /nfs/dbraw/zinc/45/71/81/815457181.db2.gz RKMXAOUUDVFOGM-SNVBAGLBSA-N 1 3 271.365 -0.913 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157729674 815458008 /nfs/dbraw/zinc/45/80/08/815458008.db2.gz CWXFBGYNHSUNGW-IUCAKERBSA-N 1 3 297.371 -0.376 20 0 CBADHO N[C@H](C(=O)N1C[C@@H](F)C[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157730938 815459060 /nfs/dbraw/zinc/45/90/60/815459060.db2.gz PWEIEUJTLCOBPS-DLOVCJGASA-N 1 3 273.352 -0.508 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H](N)Cc2cncn2C)C[C@@H]1[NH3+] ZINC001157794305 815467347 /nfs/dbraw/zinc/46/73/47/815467347.db2.gz SMRGEDRDHNMTQJ-USWWRNFRSA-N 1 3 265.361 -0.514 20 0 CBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cncn1C ZINC001157841107 815470526 /nfs/dbraw/zinc/47/05/26/815470526.db2.gz DZPSGWFAWCHUMX-WZRBSPASSA-N 1 3 279.388 -0.124 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157844302 815470564 /nfs/dbraw/zinc/47/05/64/815470564.db2.gz VWXOMMRBBJAHRM-JFGNBEQYSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001157844302 815470567 /nfs/dbraw/zinc/47/05/67/815470567.db2.gz VWXOMMRBBJAHRM-JFGNBEQYSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001157843443 815470745 /nfs/dbraw/zinc/47/07/45/815470745.db2.gz RAGQFCVCIZCDDI-HBNTYKKESA-N 1 3 285.392 -0.652 20 0 CBADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406880 811746987 /nfs/dbraw/zinc/74/69/87/811746987.db2.gz MNVDRDMBPZPRAF-WUHRBBMRSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406880 811746997 /nfs/dbraw/zinc/74/69/97/811746997.db2.gz MNVDRDMBPZPRAF-WUHRBBMRSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157855302 815472948 /nfs/dbraw/zinc/47/29/48/815472948.db2.gz MDDHCFJHPWBFHT-QVHKTLOISA-N 1 3 281.400 -0.195 20 0 CBADHO C[C@H]1CC[C@@H](CO)N1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157914081 815481780 /nfs/dbraw/zinc/48/17/80/815481780.db2.gz GNQMBKPYGVJRMU-ZMLRMANQSA-N 1 3 255.362 -0.315 20 0 CBADHO C[C@]1(CO)CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]1O ZINC001157947127 815491059 /nfs/dbraw/zinc/49/10/59/815491059.db2.gz QRJJHENGMLVWLL-DMDPSCGWSA-N 1 3 273.377 -0.966 20 0 CBADHO N[C@H](C(=O)N1CCC2(COC2)C1)C1CC[NH2+]CC1 ZINC001158167978 815508141 /nfs/dbraw/zinc/50/81/41/815508141.db2.gz JJZPCYGSHFRTPA-NSHDSACASA-N 1 3 253.346 -0.438 20 0 CBADHO N[C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC001158093532 815504200 /nfs/dbraw/zinc/50/42/00/815504200.db2.gz WUFAONGGIPRDEI-ZFWWWQNUSA-N 1 3 294.399 -0.416 20 0 CBADHO O=C([C@@H]1CCC2(CNC2)O1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199228 815512523 /nfs/dbraw/zinc/51/25/23/815512523.db2.gz QIKFXCXBMLCKIR-AXFHLTTASA-N 1 3 251.330 -0.530 20 0 CBADHO [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2c1CCNC2 ZINC001158203955 815512869 /nfs/dbraw/zinc/51/28/69/815512869.db2.gz KIEXSAYWTSPQCX-SECBINFHSA-N 1 3 274.328 -0.830 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199347 815512927 /nfs/dbraw/zinc/51/29/27/815512927.db2.gz VHTQICXIJXCSJA-SDDRHHMPSA-N 1 3 282.388 -0.561 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214944 815515342 /nfs/dbraw/zinc/51/53/42/815515342.db2.gz GECZWIVWGBLWLP-RWMBFGLXSA-N 1 3 282.388 -0.417 20 0 CBADHO NC[C@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241778 815516401 /nfs/dbraw/zinc/51/64/01/815516401.db2.gz ZLDAMLNCWHWGKU-IUCAKERBSA-N 1 3 294.321 -0.052 20 0 CBADHO COCCNCC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001118140713 812477713 /nfs/dbraw/zinc/47/77/13/812477713.db2.gz WAFGTZULTDJACE-UHFFFAOYSA-N 1 3 273.377 -0.421 20 0 CBADHO CC[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118481619 812553510 /nfs/dbraw/zinc/55/35/10/812553510.db2.gz BGIAMCGLRCAMTL-UHFFFAOYSA-N 1 3 268.321 -0.950 20 0 CBADHO [NH3+]CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118483149 812553894 /nfs/dbraw/zinc/55/38/94/812553894.db2.gz VBYNYANSDNAOCE-GFCCVEGCSA-N 1 3 270.377 -0.112 20 0 CBADHO C[C@H]([NH2+]C1CC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118507264 812563457 /nfs/dbraw/zinc/56/34/57/812563457.db2.gz UOHLXPAHZAMWDT-ZETCQYMHSA-N 1 3 265.317 -0.602 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118507290 812563835 /nfs/dbraw/zinc/56/38/35/812563835.db2.gz VVJQNTCVVLJCCT-QMMMGPOBSA-N 1 3 253.306 -0.745 20 0 CBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001158535125 815537640 /nfs/dbraw/zinc/53/76/40/815537640.db2.gz VVLQSZREFTUIKX-JMSVASOKSA-N 1 3 295.383 -0.133 20 0 CBADHO NC(=O)COC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001118557423 812575811 /nfs/dbraw/zinc/57/58/11/812575811.db2.gz DWRZITNJLUAXNM-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1CCC[NH2+]C1 ZINC001118557508 812576009 /nfs/dbraw/zinc/57/60/09/812576009.db2.gz GGOVERCPTROLSP-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567169 815538000 /nfs/dbraw/zinc/53/80/00/815538000.db2.gz FKTJUIFUYOTHIC-YUSALJHKSA-N 1 3 295.362 -0.185 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567169 815538006 /nfs/dbraw/zinc/53/80/06/815538006.db2.gz FKTJUIFUYOTHIC-YUSALJHKSA-N 1 3 295.362 -0.185 20 0 CBADHO CC[NH2+]CC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118571508 812580190 /nfs/dbraw/zinc/58/01/90/812580190.db2.gz DQQASESCKRGONU-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO N[C@@H](C(=O)N1CCCC(=O)CC1)C1CC[NH2+]CC1 ZINC001158671273 815542977 /nfs/dbraw/zinc/54/29/77/815542977.db2.gz HSFNWMHOKYGPER-GFCCVEGCSA-N 1 3 253.346 -0.105 20 0 CBADHO c1c(C2CC[NH2+]CC2)nnn1C[C@H]1CNCCO1 ZINC001118979453 812682509 /nfs/dbraw/zinc/68/25/09/812682509.db2.gz UGNSOHQQPIDGSU-LLVKDONJSA-N 1 3 251.334 -0.267 20 0 CBADHO O=C1CC2(CCOCC2)N(C[C@@H]2CC[NH2+]C2)CCN1 ZINC001118994294 812686874 /nfs/dbraw/zinc/68/68/74/812686874.db2.gz SRUDPHOOHGCVCW-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)CC1 ZINC001119056838 812702276 /nfs/dbraw/zinc/70/22/76/812702276.db2.gz YBTKTLRTVWLOGN-OLZOCXBDSA-N 1 3 266.389 -0.428 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001119237069 812728021 /nfs/dbraw/zinc/72/80/21/812728021.db2.gz NXOWXXCUFODAJJ-ZDUSSCGKSA-N 1 3 265.361 -0.002 20 0 CBADHO C[C@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC[C@H]2O1 ZINC001158855901 815549398 /nfs/dbraw/zinc/54/93/98/815549398.db2.gz LHIKWKOYTRIIBW-WUHRBBMRSA-N 1 3 279.384 -0.179 20 0 CBADHO C[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@H]2O1 ZINC001158855903 815549584 /nfs/dbraw/zinc/54/95/84/815549584.db2.gz LHIKWKOYTRIIBW-ZDEQEGDKSA-N 1 3 279.384 -0.179 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001119296523 812745804 /nfs/dbraw/zinc/74/58/04/812745804.db2.gz VBFRVVFQYRIXGJ-CHWSQXEVSA-N 1 3 286.395 -0.312 20 0 CBADHO COCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001119355741 812765359 /nfs/dbraw/zinc/76/53/59/812765359.db2.gz YKWYEMAUPACODG-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119427248 812782065 /nfs/dbraw/zinc/78/20/65/812782065.db2.gz JREPUQRTNRKWGO-TUAOUCFPSA-N 1 3 282.388 -0.560 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]([NH3+])CC(F)F ZINC001119611525 812833115 /nfs/dbraw/zinc/83/31/15/812833115.db2.gz UUYCTWZDDLCGLU-DTWKUNHWSA-N 1 3 265.304 -0.194 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001120432029 812964394 /nfs/dbraw/zinc/96/43/94/812964394.db2.gz CMBZKIQSJSUALD-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO O[C@@H](CN[C@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602737 812998565 /nfs/dbraw/zinc/99/85/65/812998565.db2.gz GUOWVTLIYNTHKD-AAEUAGOBSA-N 1 3 250.346 -0.146 20 0 CBADHO O[C@@H](C[NH2+][C@H]1Cc2cncn2C1)CN1CCCC1 ZINC001120602737 812998571 /nfs/dbraw/zinc/99/85/71/812998571.db2.gz GUOWVTLIYNTHKD-AAEUAGOBSA-N 1 3 250.346 -0.146 20 0 CBADHO [NH3+]CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120625499 813002463 /nfs/dbraw/zinc/00/24/63/813002463.db2.gz JMOSPLLVZPSPAK-NWDGAFQWSA-N 1 3 270.377 -0.424 20 0 CBADHO COCCNCC(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001122000955 813103191 /nfs/dbraw/zinc/10/31/91/813103191.db2.gz IMKQAGLHXJORMR-JTQLQIEISA-N 1 3 261.391 -0.566 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH3+])N1CCCCC1 ZINC001122149296 813124787 /nfs/dbraw/zinc/12/47/87/813124787.db2.gz UUUDWJFVEKYCJA-NWDGAFQWSA-N 1 3 257.378 -0.067 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001122142770 813123405 /nfs/dbraw/zinc/12/34/05/813123405.db2.gz ZWHPJHYPWCZQPF-GMXVVIOVSA-N 1 3 265.357 -0.377 20 0 CBADHO C[C@H](Nc1ncnc2c1CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001159490599 815578271 /nfs/dbraw/zinc/57/82/71/815578271.db2.gz XJIXYDXELSERPY-GXFFZTMASA-N 1 3 277.372 -0.046 20 0 CBADHO C[C@@H](Nc1ncnc2c1CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001159490604 815578501 /nfs/dbraw/zinc/57/85/01/815578501.db2.gz XJIXYDXELSERPY-ZWNOBZJWSA-N 1 3 277.372 -0.046 20 0 CBADHO O=C(N1NC(=O)C[C@@]12CC[NH2+]C2)C12CCN(CC1)C2 ZINC001122191004 813129887 /nfs/dbraw/zinc/12/98/87/813129887.db2.gz TWWDGQZMERJWEH-CYBMUJFWSA-N 1 3 264.329 -0.922 20 0 CBADHO O=C([C@H]1CNCCC1(F)F)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122189903 813130287 /nfs/dbraw/zinc/13/02/87/813130287.db2.gz LEAKHXIPAFYYMI-KCJUWKMLSA-N 1 3 288.298 -0.773 20 0 CBADHO CC[C@H](N)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122195184 813131283 /nfs/dbraw/zinc/13/12/83/813131283.db2.gz DNOOYKRTCXNSCW-UWVGGRQHSA-N 1 3 269.345 -0.475 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC001122227010 813136041 /nfs/dbraw/zinc/13/60/41/813136041.db2.gz MYQHZUKVGAAGRV-WOPDTQHZSA-N 1 3 255.362 -0.273 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)N(C)C ZINC001122291451 813141154 /nfs/dbraw/zinc/14/11/54/813141154.db2.gz KRKPWMKGJHWHAE-AAEUAGOBSA-N 1 3 257.378 -0.115 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122410383 813161463 /nfs/dbraw/zinc/16/14/63/813161463.db2.gz BOAMSCTWEADHPR-AAEUAGOBSA-N 1 3 253.346 -0.281 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001122484295 813169580 /nfs/dbraw/zinc/16/95/80/813169580.db2.gz NYECAZVSFQGKNF-RNJOBUHISA-N 1 3 266.389 -0.654 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001122484295 813169581 /nfs/dbraw/zinc/16/95/81/813169581.db2.gz NYECAZVSFQGKNF-RNJOBUHISA-N 1 3 266.389 -0.654 20 0 CBADHO C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001122535923 813174855 /nfs/dbraw/zinc/17/48/55/813174855.db2.gz LSZNZNBAMPLOTM-UTUOFQBUSA-N 1 3 255.362 -0.219 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001122585334 813178256 /nfs/dbraw/zinc/17/82/56/813178256.db2.gz CVHLFPWWHIGCOD-BDAKNGLRSA-N 1 3 255.318 -0.865 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854980 815601412 /nfs/dbraw/zinc/60/14/12/815601412.db2.gz YOCMBARNNDPQHX-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CN1C[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@@H]2C1=O ZINC001159886894 815603092 /nfs/dbraw/zinc/60/30/92/815603092.db2.gz PLAQXWHHWVGTPI-AGIUHOORSA-N 1 3 296.415 -0.408 20 0 CBADHO CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCN2C)C1=O ZINC001124866773 813489966 /nfs/dbraw/zinc/48/99/66/813489966.db2.gz KNGWCORGEPCMNN-WDEREUQCSA-N 1 3 268.361 -0.983 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066829 813709979 /nfs/dbraw/zinc/70/99/79/813709979.db2.gz SRCMDBHCHVSLQS-NSHDSACASA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066829 813709985 /nfs/dbraw/zinc/70/99/85/813709985.db2.gz SRCMDBHCHVSLQS-NSHDSACASA-N 1 3 270.377 -0.689 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066248 813710212 /nfs/dbraw/zinc/71/02/12/813710212.db2.gz KFFDZFSMPSRZFT-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066248 813710216 /nfs/dbraw/zinc/71/02/16/813710216.db2.gz KFFDZFSMPSRZFT-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127082562 813711841 /nfs/dbraw/zinc/71/18/41/813711841.db2.gz UYEGNLNFDAJZRH-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127082562 813711843 /nfs/dbraw/zinc/71/18/43/813711843.db2.gz UYEGNLNFDAJZRH-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257354 813721883 /nfs/dbraw/zinc/72/18/83/813721883.db2.gz XVMPCHHYVNWZKY-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257354 813721893 /nfs/dbraw/zinc/72/18/93/813721893.db2.gz XVMPCHHYVNWZKY-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256003 813722240 /nfs/dbraw/zinc/72/22/40/813722240.db2.gz LVIOJKBCDOUZHS-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256003 813722244 /nfs/dbraw/zinc/72/22/44/813722244.db2.gz LVIOJKBCDOUZHS-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357483 813724925 /nfs/dbraw/zinc/72/49/25/813724925.db2.gz ZDVQMRVUFABRPT-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357483 813724927 /nfs/dbraw/zinc/72/49/27/813724927.db2.gz ZDVQMRVUFABRPT-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474697 813731568 /nfs/dbraw/zinc/73/15/68/813731568.db2.gz NWAOHUXBHGDZJW-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001127475393 813731644 /nfs/dbraw/zinc/73/16/44/813731644.db2.gz UXYRAPJZWKMVRR-CQSZACIVSA-N 1 3 291.399 -0.032 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643798 813738940 /nfs/dbraw/zinc/73/89/40/813738940.db2.gz LOVBLTYOBYXGHT-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643798 813738945 /nfs/dbraw/zinc/73/89/45/813738945.db2.gz LOVBLTYOBYXGHT-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001127644263 813739542 /nfs/dbraw/zinc/73/95/42/813739542.db2.gz XESHXQSUBXEBMW-UTUOFQBUSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001127644263 813739549 /nfs/dbraw/zinc/73/95/49/813739549.db2.gz XESHXQSUBXEBMW-UTUOFQBUSA-N 1 3 282.388 -0.737 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127639385 813739840 /nfs/dbraw/zinc/73/98/40/813739840.db2.gz ZFULYGQWAJCDFB-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127639385 813739844 /nfs/dbraw/zinc/73/98/44/813739844.db2.gz ZFULYGQWAJCDFB-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)C(N)=O ZINC001128539866 813781107 /nfs/dbraw/zinc/78/11/07/813781107.db2.gz MHHZHPPFDSJFIB-WDEREUQCSA-N 1 3 290.383 -0.364 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC ZINC001128773534 813796797 /nfs/dbraw/zinc/79/67/97/813796797.db2.gz AQGJUGKGPBPDNN-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC ZINC001128773534 813796802 /nfs/dbraw/zinc/79/68/02/813796802.db2.gz AQGJUGKGPBPDNN-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC ZINC001128773909 813796946 /nfs/dbraw/zinc/79/69/46/813796946.db2.gz IHUGXKQIEOHABG-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC ZINC001128773909 813796955 /nfs/dbraw/zinc/79/69/55/813796955.db2.gz IHUGXKQIEOHABG-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001128778736 813799002 /nfs/dbraw/zinc/79/90/02/813799002.db2.gz LEJYNUOOCHKRDO-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001128778736 813799010 /nfs/dbraw/zinc/79/90/10/813799010.db2.gz LEJYNUOOCHKRDO-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001129328315 813836391 /nfs/dbraw/zinc/83/63/91/813836391.db2.gz OGFWQCMTOWRBJH-CYBMUJFWSA-N 1 3 298.431 -0.242 20 0 CBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001129328315 813836402 /nfs/dbraw/zinc/83/64/02/813836402.db2.gz OGFWQCMTOWRBJH-CYBMUJFWSA-N 1 3 298.431 -0.242 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435155 813842656 /nfs/dbraw/zinc/84/26/56/813842656.db2.gz CFYQAOBXUUCCKB-ZDUSSCGKSA-N 1 3 284.404 -0.441 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)cn1 ZINC001129436805 813842823 /nfs/dbraw/zinc/84/28/23/813842823.db2.gz SWXVCGVTIAPLFQ-CYBMUJFWSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001129444572 813845674 /nfs/dbraw/zinc/84/56/74/813845674.db2.gz VIWDDLPEWNRHKI-MNOVXSKESA-N 1 3 270.377 -0.704 20 0 CBADHO CN(CC(=O)NCC[NH2+]CCOCCO)C1CCC1 ZINC001129531767 813849199 /nfs/dbraw/zinc/84/91/99/813849199.db2.gz JUICUIYUWWQMKH-UHFFFAOYSA-N 1 3 273.377 -0.815 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532376 813850292 /nfs/dbraw/zinc/85/02/92/813850292.db2.gz ZKIWWIQOWHAIRJ-LBPRGKRZSA-N 1 3 273.377 -0.816 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129839515 813869419 /nfs/dbraw/zinc/86/94/19/813869419.db2.gz AWROBTJDMYBMBZ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129839515 813869421 /nfs/dbraw/zinc/86/94/21/813869421.db2.gz AWROBTJDMYBMBZ-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839434 813869457 /nfs/dbraw/zinc/86/94/57/813869457.db2.gz ACNCTNYKBLISAI-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839434 813869468 /nfs/dbraw/zinc/86/94/68/813869468.db2.gz ACNCTNYKBLISAI-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(N)=O)[NH+](C)C ZINC001129947018 813881771 /nfs/dbraw/zinc/88/17/71/813881771.db2.gz FTBQRTJZCMUOJP-ZJUUUORDSA-N 1 3 258.366 -0.848 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCOCCO)N(C)C ZINC001129947063 813883109 /nfs/dbraw/zinc/88/31/09/813883109.db2.gz IEXKXRHSWSXRHO-LBPRGKRZSA-N 1 3 275.393 -0.713 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001130205799 813918415 /nfs/dbraw/zinc/91/84/15/813918415.db2.gz WXBXLSKZTHOPJN-VXGBXAGGSA-N 1 3 294.403 -0.189 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001130202996 813919045 /nfs/dbraw/zinc/91/90/45/813919045.db2.gz DLHISBZDVSOKTH-GHMZBOCLSA-N 1 3 261.366 -0.960 20 0 CBADHO CCNC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419013 813938633 /nfs/dbraw/zinc/93/86/33/813938633.db2.gz HNMQIYBPKXAMGZ-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO CCNC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419013 813938630 /nfs/dbraw/zinc/93/86/30/813938630.db2.gz HNMQIYBPKXAMGZ-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO CN(CCC(=O)NCCNCC(N)=O)c1cc[nH+]cc1 ZINC001130556432 813953224 /nfs/dbraw/zinc/95/32/24/813953224.db2.gz HFFCMSBTNOSXAU-UHFFFAOYSA-N 1 3 279.344 -0.901 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130711083 813968483 /nfs/dbraw/zinc/96/84/83/813968483.db2.gz MXXXWCLTZSUZSB-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130711083 813968489 /nfs/dbraw/zinc/96/84/89/813968489.db2.gz MXXXWCLTZSUZSB-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520285 814038534 /nfs/dbraw/zinc/03/85/34/814038534.db2.gz WWUOTHCOCZMKTM-LXVYMNJGSA-N 1 3 283.372 -0.798 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789949 814069645 /nfs/dbraw/zinc/06/96/45/814069645.db2.gz BSRLBCUOKDVESO-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280220 814120957 /nfs/dbraw/zinc/12/09/57/814120957.db2.gz CJZRSZJYGBKCCD-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001132736472 814182445 /nfs/dbraw/zinc/18/24/45/814182445.db2.gz APVVHWSXLVNKGS-NSHDSACASA-N 1 3 270.377 -0.701 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001132736472 814182448 /nfs/dbraw/zinc/18/24/48/814182448.db2.gz APVVHWSXLVNKGS-NSHDSACASA-N 1 3 270.377 -0.701 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001132738347 814182858 /nfs/dbraw/zinc/18/28/58/814182858.db2.gz ZOXFZUDLZSIWGA-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001132738347 814182866 /nfs/dbraw/zinc/18/28/66/814182866.db2.gz ZOXFZUDLZSIWGA-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132882806 814197235 /nfs/dbraw/zinc/19/72/35/814197235.db2.gz JEDHUWXJGPFTOI-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132882806 814197238 /nfs/dbraw/zinc/19/72/38/814197238.db2.gz JEDHUWXJGPFTOI-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001132886154 814197457 /nfs/dbraw/zinc/19/74/57/814197457.db2.gz DJVRPMPPJHAXBH-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001132886154 814197461 /nfs/dbraw/zinc/19/74/61/814197461.db2.gz DJVRPMPPJHAXBH-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001132886884 814197794 /nfs/dbraw/zinc/19/77/94/814197794.db2.gz VPSHGONJYZWUPM-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001132886884 814197802 /nfs/dbraw/zinc/19/78/02/814197802.db2.gz VPSHGONJYZWUPM-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992552 814205251 /nfs/dbraw/zinc/20/52/51/814205251.db2.gz BOWIALQUZPJPEG-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993428 814207069 /nfs/dbraw/zinc/20/70/69/814207069.db2.gz TXSPBPHGBXUBMV-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCCC1 ZINC001133040522 814211838 /nfs/dbraw/zinc/21/18/38/814211838.db2.gz VGMBGSQSYKLKKF-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO Cn1cncc1CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286158 814235690 /nfs/dbraw/zinc/23/56/90/814235690.db2.gz ZSFAVIFVXPIWMH-UHFFFAOYSA-N 1 3 279.388 -0.032 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001133418982 814251232 /nfs/dbraw/zinc/25/12/32/814251232.db2.gz HGZTZCVDERFAEJ-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCNC1=O)[NH+](C)C ZINC001133415965 814251370 /nfs/dbraw/zinc/25/13/70/814251370.db2.gz WXBPKMBCELYUKV-GHMZBOCLSA-N 1 3 270.377 -0.833 20 0 CBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001133419267 814251632 /nfs/dbraw/zinc/25/16/32/814251632.db2.gz KDOLIFGSDNSUJO-GFCCVEGCSA-N 1 3 299.419 -0.696 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419545 814252188 /nfs/dbraw/zinc/25/21/88/814252188.db2.gz RNLVEUMYVLXBHU-VXGBXAGGSA-N 1 3 275.393 -0.714 20 0 CBADHO CC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)[NH+](CC)CC ZINC001133684978 814287130 /nfs/dbraw/zinc/28/71/30/814287130.db2.gz OEJJOTWHNVQIER-WDEREUQCSA-N 1 3 272.393 -0.314 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001133820033 814299458 /nfs/dbraw/zinc/29/94/58/814299458.db2.gz WBLRYJDXTRTTJR-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001133819843 814300042 /nfs/dbraw/zinc/30/00/42/814300042.db2.gz PNOVMVJZKFEFFI-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001133819843 814300050 /nfs/dbraw/zinc/30/00/50/814300050.db2.gz PNOVMVJZKFEFFI-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819777 814300471 /nfs/dbraw/zinc/30/04/71/814300471.db2.gz NWZLNIGMTFRROG-NEPJUHHUSA-N 1 3 273.377 -0.816 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819779 814300943 /nfs/dbraw/zinc/30/09/43/814300943.db2.gz NWZLNIGMTFRROG-RYUDHWBXSA-N 1 3 273.377 -0.816 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133820151 814301744 /nfs/dbraw/zinc/30/17/44/814301744.db2.gz ZXJLJMKQMLMVSX-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133824001 814301827 /nfs/dbraw/zinc/30/18/27/814301827.db2.gz VPJFKRZUZMOUCZ-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133824001 814301835 /nfs/dbraw/zinc/30/18/35/814301835.db2.gz VPJFKRZUZMOUCZ-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133820149 814303698 /nfs/dbraw/zinc/30/36/98/814303698.db2.gz ZXJLJMKQMLMVSX-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846155 814307944 /nfs/dbraw/zinc/30/79/44/814307944.db2.gz VBYAPRJMSRRICS-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846155 814307953 /nfs/dbraw/zinc/30/79/53/814307953.db2.gz VBYAPRJMSRRICS-NSHDSACASA-N 1 3 270.377 -0.830 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863327 814312334 /nfs/dbraw/zinc/31/23/34/814312334.db2.gz LDGIAOSRDHZXLG-STQMWFEESA-N 1 3 298.431 -0.338 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863327 814312344 /nfs/dbraw/zinc/31/23/44/814312344.db2.gz LDGIAOSRDHZXLG-STQMWFEESA-N 1 3 298.431 -0.338 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867398 814313092 /nfs/dbraw/zinc/31/30/92/814313092.db2.gz UAIWJPSFDXSCFM-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133867398 814313101 /nfs/dbraw/zinc/31/31/01/814313101.db2.gz UAIWJPSFDXSCFM-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867040 814313528 /nfs/dbraw/zinc/31/35/28/814313528.db2.gz QSDXUCMAVPVUTJ-YPMHNXCESA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867040 814313535 /nfs/dbraw/zinc/31/35/35/814313535.db2.gz QSDXUCMAVPVUTJ-YPMHNXCESA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cncn1C ZINC001133866725 814314897 /nfs/dbraw/zinc/31/48/97/814314897.db2.gz OFTIURDAXPZSOI-DGCLKSJQSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cncn1C ZINC001133866725 814314904 /nfs/dbraw/zinc/31/49/04/814314904.db2.gz OFTIURDAXPZSOI-DGCLKSJQSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cncn1C ZINC001133866727 814316059 /nfs/dbraw/zinc/31/60/59/814316059.db2.gz OFTIURDAXPZSOI-YPMHNXCESA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cncn1C ZINC001133866727 814316069 /nfs/dbraw/zinc/31/60/69/814316069.db2.gz OFTIURDAXPZSOI-YPMHNXCESA-N 1 3 279.388 -0.176 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869726 814316660 /nfs/dbraw/zinc/31/66/60/814316660.db2.gz KCMCXCFHBNYWOQ-QWHCGFSZSA-N 1 3 298.431 -0.242 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869726 814316669 /nfs/dbraw/zinc/31/66/69/814316669.db2.gz KCMCXCFHBNYWOQ-QWHCGFSZSA-N 1 3 298.431 -0.242 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869727 814318582 /nfs/dbraw/zinc/31/85/82/814318582.db2.gz KCMCXCFHBNYWOQ-STQMWFEESA-N 1 3 298.431 -0.242 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869727 814318590 /nfs/dbraw/zinc/31/85/90/814318590.db2.gz KCMCXCFHBNYWOQ-STQMWFEESA-N 1 3 298.431 -0.242 20 0 CBADHO CN1CC[C@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896450 814319176 /nfs/dbraw/zinc/31/91/76/814319176.db2.gz JNGQYTYWUSIVJN-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906243 814321999 /nfs/dbraw/zinc/32/19/99/814321999.db2.gz RTNZLALQPASTPA-LBPRGKRZSA-N 1 3 289.420 -0.323 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)N(C)C ZINC001133962129 814330390 /nfs/dbraw/zinc/33/03/90/814330390.db2.gz DLHISBZDVSOKTH-QWRGUYRKSA-N 1 3 261.366 -0.960 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968226 814331178 /nfs/dbraw/zinc/33/11/78/814331178.db2.gz RZGNNIYTANCPPZ-RYUDHWBXSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001133962395 814331391 /nfs/dbraw/zinc/33/13/91/814331391.db2.gz HRLNXBVEBAQGFK-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001134767052 814411589 /nfs/dbraw/zinc/41/15/89/814411589.db2.gz QQNONXOLVJBCGC-GFCCVEGCSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780603 814412747 /nfs/dbraw/zinc/41/27/47/814412747.db2.gz NORBZCVKNJOOIW-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001134780699 814412812 /nfs/dbraw/zinc/41/28/12/814412812.db2.gz SEQQTEIYPGGMEZ-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001134780316 814412974 /nfs/dbraw/zinc/41/29/74/814412974.db2.gz AGNCZTAHEITIBJ-GFCCVEGCSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780308 814413116 /nfs/dbraw/zinc/41/31/16/814413116.db2.gz AABDEVBRPBCLSK-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932366 815606379 /nfs/dbraw/zinc/60/63/79/815606379.db2.gz PTJJTUYRAVDVMU-PWSUYJOCSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001159997597 815607667 /nfs/dbraw/zinc/60/76/67/815607667.db2.gz SYXOEBSQVDTNKG-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)C(C)C ZINC001135477888 814477749 /nfs/dbraw/zinc/47/77/49/814477749.db2.gz SMSQDMTWKGGPCK-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001135511697 814481843 /nfs/dbraw/zinc/48/18/43/814481843.db2.gz ZEPJCNRZYCNARB-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135981087 814542716 /nfs/dbraw/zinc/54/27/16/814542716.db2.gz XLMJHPAGVGNUDC-MNOVXSKESA-N 1 3 272.393 -0.314 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001135975735 814543106 /nfs/dbraw/zinc/54/31/06/814543106.db2.gz BNZQDOZMPZJZEG-NWDGAFQWSA-N 1 3 286.420 -0.053 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC(=O)N1 ZINC001143134489 814758745 /nfs/dbraw/zinc/75/87/45/814758745.db2.gz MAQXGXRJJMXAEX-VIFPVBQESA-N 1 3 269.349 -0.671 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384357 814837890 /nfs/dbraw/zinc/83/78/90/814837890.db2.gz OPXKELKCJBTDFV-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001146595285 814841525 /nfs/dbraw/zinc/84/15/25/814841525.db2.gz YFEWQFUSQVUCRO-WDEREUQCSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001146711143 814843889 /nfs/dbraw/zinc/84/38/89/814843889.db2.gz PISQHVDZINEDKO-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001146711143 814843894 /nfs/dbraw/zinc/84/38/94/814843894.db2.gz PISQHVDZINEDKO-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C)C ZINC001146719942 814845857 /nfs/dbraw/zinc/84/58/57/814845857.db2.gz XPGOIHLNRMAGJL-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C)C ZINC001146719942 814845861 /nfs/dbraw/zinc/84/58/61/814845861.db2.gz XPGOIHLNRMAGJL-UHFFFAOYSA-N 1 3 272.393 -0.441 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826599 814917437 /nfs/dbraw/zinc/91/74/37/814917437.db2.gz YPIKQJIMJUSOOQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826598 814917956 /nfs/dbraw/zinc/91/79/56/814917956.db2.gz YPIKQJIMJUSOOQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001147876970 814920931 /nfs/dbraw/zinc/92/09/31/814920931.db2.gz ATENGUVQCPFBKT-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147876970 814920934 /nfs/dbraw/zinc/92/09/34/814920934.db2.gz ATENGUVQCPFBKT-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147877637 814921970 /nfs/dbraw/zinc/92/19/70/814921970.db2.gz NDRKEJYUWBWVHS-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147877637 814921974 /nfs/dbraw/zinc/92/19/74/814921974.db2.gz NDRKEJYUWBWVHS-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO COCCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C1CCN(C)CC1 ZINC001160439823 815622589 /nfs/dbraw/zinc/62/25/89/815622589.db2.gz NTBUALFONPEXCQ-OLZOCXBDSA-N 1 3 285.388 -0.722 20 0 CBADHO N[C@@H](C(=O)N1CCC2(C1)OCCO2)C1CC[NH2+]CC1 ZINC001160471266 815626733 /nfs/dbraw/zinc/62/67/33/815626733.db2.gz TZKHHZRDTKTBPB-LLVKDONJSA-N 1 3 269.345 -0.711 20 0 CBADHO CC1(C)C(=O)NCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160478106 815627736 /nfs/dbraw/zinc/62/77/36/815627736.db2.gz LWGWUBQTWTZJEG-JTQLQIEISA-N 1 3 268.361 -0.950 20 0 CBADHO N[C@H](C(=O)N1CCCC12COC2)C1CC[NH2+]CC1 ZINC001160542079 815635153 /nfs/dbraw/zinc/63/51/53/815635153.db2.gz NOYLFMVSCWHGRD-NSHDSACASA-N 1 3 253.346 -0.295 20 0 CBADHO CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C1COC1 ZINC001160541440 815635686 /nfs/dbraw/zinc/63/56/86/815635686.db2.gz BZQGXCGAQLQRGF-LLVKDONJSA-N 1 3 253.346 -0.282 20 0 CBADHO CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C1COC1 ZINC001160541440 815635690 /nfs/dbraw/zinc/63/56/90/815635690.db2.gz BZQGXCGAQLQRGF-LLVKDONJSA-N 1 3 253.346 -0.282 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160549625 815636738 /nfs/dbraw/zinc/63/67/38/815636738.db2.gz SIZDXPCIBHLKRE-NEPJUHHUSA-N 1 3 284.404 -0.184 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160558324 815637576 /nfs/dbraw/zinc/63/75/76/815637576.db2.gz MVGBMSANGBEMIJ-IUODEOHRSA-N 1 3 289.383 -0.496 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160564039 815638356 /nfs/dbraw/zinc/63/83/56/815638356.db2.gz CDKKLYAHGGHJIB-GFCCVEGCSA-N 1 3 263.345 -0.411 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575739 815640128 /nfs/dbraw/zinc/64/01/28/815640128.db2.gz GVVWKOXUEMNONZ-JTQLQIEISA-N 1 3 269.345 -0.249 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612483 815644831 /nfs/dbraw/zinc/64/48/31/815644831.db2.gz ZRDOMRMCXSBLBM-WCQYABFASA-N 1 3 269.389 -0.066 20 0 CBADHO O=C(N1CCN(CCF)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160629944 815646532 /nfs/dbraw/zinc/64/65/32/815646532.db2.gz VRAIDCIKCSQUIH-TZMCWYRMSA-N 1 3 284.379 -0.701 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647469 815651724 /nfs/dbraw/zinc/65/17/24/815651724.db2.gz KNCFCMWGRNUKBS-IVZWLZJFSA-N 1 3 255.297 -0.823 20 0 CBADHO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160654835 815653416 /nfs/dbraw/zinc/65/34/16/815653416.db2.gz CPUBBPPPHORVBS-MXWKQRLJSA-N 1 3 253.346 -0.833 20 0 CBADHO CC1(C)CN(C2CN(C(=O)[C@@H](N)CCC[NH3+])C2)CCO1 ZINC001160663205 815654354 /nfs/dbraw/zinc/65/43/54/815654354.db2.gz JPRIQHDVISAEBT-LBPRGKRZSA-N 1 3 284.404 -0.626 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CC[S@](C)=O ZINC001160694359 815658341 /nfs/dbraw/zinc/65/83/41/815658341.db2.gz ABUMKICHHGKSRC-FHGNATFXSA-N 1 3 275.418 -0.460 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(n2cnnc2)CC1 ZINC001160722331 815663353 /nfs/dbraw/zinc/66/33/53/815663353.db2.gz NSSRQIDVDUFXLC-NSHDSACASA-N 1 3 298.416 -0.539 20 0 CBADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN2CCC1CC2 ZINC001160725631 815665492 /nfs/dbraw/zinc/66/54/92/815665492.db2.gz DWDHJHZFGZOMAT-FZMZJTMJSA-N 1 3 296.415 -0.217 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756006 815667054 /nfs/dbraw/zinc/66/70/54/815667054.db2.gz YMCGCKKDPMIPQI-LLVKDONJSA-N 1 3 278.356 -0.219 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCn2nncc2C1 ZINC001160832231 815674886 /nfs/dbraw/zinc/67/48/86/815674886.db2.gz IJTGPNRSCNCRCJ-LBPRGKRZSA-N 1 3 280.376 -0.321 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001160839701 815675971 /nfs/dbraw/zinc/67/59/71/815675971.db2.gz RKSVDGKDGYHWRD-QJPTWQEYSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001160839697 815676030 /nfs/dbraw/zinc/67/60/30/815676030.db2.gz RKSVDGKDGYHWRD-IJLUTSLNSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001160839381 815676269 /nfs/dbraw/zinc/67/62/69/815676269.db2.gz PHKYGMZSCDVFEQ-AAEUAGOBSA-N 1 3 255.362 -0.225 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC)N(C)C ZINC001160882870 815683841 /nfs/dbraw/zinc/68/38/41/815683841.db2.gz AFYVVGWCKACEHS-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@@H]21 ZINC001160877945 815684521 /nfs/dbraw/zinc/68/45/21/815684521.db2.gz HFTDDPOHZUQCHT-WHOHXGKFSA-N 1 3 293.367 -0.937 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909277 815687001 /nfs/dbraw/zinc/68/70/01/815687001.db2.gz QZZSTYPLAAVEBV-ZETCQYMHSA-N 1 3 257.256 -0.564 20 0 CBADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H](N)Cc1c[nH]cn1)C2 ZINC001160965849 815690993 /nfs/dbraw/zinc/69/09/93/815690993.db2.gz ZCEYFSVDSIJTLY-MPKXVKKWSA-N 1 3 277.372 -0.310 20 0 CBADHO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CN)CC2)CC1 ZINC001160993362 815692607 /nfs/dbraw/zinc/69/26/07/815692607.db2.gz PIYFXUZAQUFHOH-NSHDSACASA-N 1 3 254.378 -0.393 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972660 815693481 /nfs/dbraw/zinc/69/34/81/815693481.db2.gz RNIDGHYCKONSCZ-QQJLPTOTSA-N 1 3 283.344 -0.723 20 0 CBADHO CC(C)OC1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161010191 815694767 /nfs/dbraw/zinc/69/47/67/815694767.db2.gz NNOQAZHNHNXUMU-GFCCVEGCSA-N 1 3 255.362 -0.051 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161031207 815700266 /nfs/dbraw/zinc/70/02/66/815700266.db2.gz WODJEQPPLZHXTR-JTQLQIEISA-N 1 3 272.418 -0.033 20 0 CBADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161050389 815705887 /nfs/dbraw/zinc/70/58/87/815705887.db2.gz MPPAZXNWTHQBDG-QWHCGFSZSA-N 1 3 296.415 -0.742 20 0 CBADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161050389 815705893 /nfs/dbraw/zinc/70/58/93/815705893.db2.gz MPPAZXNWTHQBDG-QWHCGFSZSA-N 1 3 296.415 -0.742 20 0 CBADHO CN(C(=O)[C@H](N)CCCNC(N)=O)C1(C)CC[NH2+]CC1 ZINC001161067185 815707782 /nfs/dbraw/zinc/70/77/82/815707782.db2.gz GHSIUXQVBLDEHQ-SNVBAGLBSA-N 1 3 285.392 -0.637 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081017 815709292 /nfs/dbraw/zinc/70/92/92/815709292.db2.gz CEFSPSSNKWBEOE-PFFFPCNUSA-N 1 3 278.400 -0.239 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21 ZINC001161081445 815709451 /nfs/dbraw/zinc/70/94/51/815709451.db2.gz KHXZYZJDSHXFKM-COMQUAJESA-N 1 3 278.400 -0.510 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001161080981 815709465 /nfs/dbraw/zinc/70/94/65/815709465.db2.gz AQCWLWTVBRHWDR-MDZLAQPJSA-N 1 3 252.362 -0.770 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081014 815709701 /nfs/dbraw/zinc/70/97/01/815709701.db2.gz CEFSPSSNKWBEOE-BGPZULBFSA-N 1 3 278.400 -0.239 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001161080982 815710166 /nfs/dbraw/zinc/71/01/66/815710166.db2.gz AQCWLWTVBRHWDR-NQBHXWOUSA-N 1 3 252.362 -0.770 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081879 815711289 /nfs/dbraw/zinc/71/12/89/815711289.db2.gz MHOPJWZWXQOMBP-KKOKHZNYSA-N 1 3 253.346 -0.738 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161132328 815719260 /nfs/dbraw/zinc/71/92/60/815719260.db2.gz YELDNTSVEGYUER-OLZOCXBDSA-N 1 3 294.399 -0.735 20 0 CBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CC(F)F ZINC001161157558 815723377 /nfs/dbraw/zinc/72/33/77/815723377.db2.gz FXLVBKHYHIRNET-QMMMGPOBSA-N 1 3 281.303 -0.291 20 0 CBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217160 815728734 /nfs/dbraw/zinc/72/87/34/815728734.db2.gz BALNWYNAMPGVGY-SRRSOLGSSA-N 1 3 280.372 -0.998 20 0 CBADHO CN(C(=O)[C@H](N)CCC[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161219371 815728817 /nfs/dbraw/zinc/72/88/17/815728817.db2.gz PMBOTIBYJXVRBV-WDEREUQCSA-N 1 3 271.361 -0.193 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220835 815728848 /nfs/dbraw/zinc/72/88/48/815728848.db2.gz GXKQWDRTOFIBDU-VKISENBKSA-N 1 3 282.388 -0.848 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC001161234611 815729912 /nfs/dbraw/zinc/72/99/12/815729912.db2.gz FCURTKNKJLBJGZ-HOSYDEDBSA-N 1 3 255.362 -0.051 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234320 815730645 /nfs/dbraw/zinc/73/06/45/815730645.db2.gz AMOXGGXWEKMQKA-VXGBXAGGSA-N 1 3 290.371 -0.749 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001161251326 815733422 /nfs/dbraw/zinc/73/34/22/815733422.db2.gz OMDIZUOFSHRDGC-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161270278 815735202 /nfs/dbraw/zinc/73/52/02/815735202.db2.gz LDMQCQAZENIMSL-NEPJUHHUSA-N 1 3 270.377 -0.430 20 0 CBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161289323 815736957 /nfs/dbraw/zinc/73/69/57/815736957.db2.gz QCCXYZMMZJNWQY-MNOVXSKESA-N 1 3 285.392 -0.685 20 0 CBADHO CCN(C(=O)[C@H](N)Cc1c[nH]cn1)[C@H]1CCC[NH2+]C1 ZINC001161329187 815741834 /nfs/dbraw/zinc/74/18/34/815741834.db2.gz WHCTXJHKBMLQBN-NWDGAFQWSA-N 1 3 265.361 -0.120 20 0 CBADHO CCN(C(=O)[C@H](N)CCC(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001161332423 815742727 /nfs/dbraw/zinc/74/27/27/815742727.db2.gz MYLWTJCQQRCDTG-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO CC(C)N(C(=O)[C@H](N)Cc1c[nH]cn1)[C@H]1CC[NH2+]C1 ZINC001161350662 815745721 /nfs/dbraw/zinc/74/57/21/815745721.db2.gz AUCHTDFVHAQJMH-NWDGAFQWSA-N 1 3 265.361 -0.122 20 0 CBADHO CC(C)N(C(=O)[C@H](N)Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 ZINC001161350662 815745725 /nfs/dbraw/zinc/74/57/25/815745725.db2.gz AUCHTDFVHAQJMH-NWDGAFQWSA-N 1 3 265.361 -0.122 20 0 CBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161371134 815747633 /nfs/dbraw/zinc/74/76/33/815747633.db2.gz AYMIJDUQWPLCGV-RISCZKNCSA-N 1 3 299.371 -0.896 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412043 815751013 /nfs/dbraw/zinc/75/10/13/815751013.db2.gz FKLXWOSKLZKZHL-JTLRNRKASA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412043 815751017 /nfs/dbraw/zinc/75/10/17/815751017.db2.gz FKLXWOSKLZKZHL-JTLRNRKASA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412042 815752153 /nfs/dbraw/zinc/75/21/53/815752153.db2.gz FKLXWOSKLZKZHL-IXLVHKGHSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412042 815752154 /nfs/dbraw/zinc/75/21/54/815752154.db2.gz FKLXWOSKLZKZHL-IXLVHKGHSA-N 1 3 263.345 -0.525 20 0 CBADHO N=c1ncc(C[NH3+])cn1-c1ncc2c(n1)CCNC2 ZINC001161415074 815753374 /nfs/dbraw/zinc/75/33/74/815753374.db2.gz NJDKWQDEKHBGPZ-UHFFFAOYSA-N 1 3 257.301 -0.754 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416800 815753654 /nfs/dbraw/zinc/75/36/54/815753654.db2.gz KPUGNHHLJBGBBE-SNVBAGLBSA-N 1 3 268.361 -0.676 20 0 CBADHO C[C@@H]1CN(C2CN(C(=O)[C@H](N)CCC[NH3+])C2)C[C@@H](C)O1 ZINC001161493378 815761986 /nfs/dbraw/zinc/76/19/86/815761986.db2.gz MOTLBPPPUJWPRX-NQBHXWOUSA-N 1 3 284.404 -0.627 20 0 CBADHO C[C@H]1CN(C2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)C[C@H](C)O1 ZINC001161497759 815763176 /nfs/dbraw/zinc/76/31/76/815763176.db2.gz CZZIZAICRYGXCH-OBJOEFQTSA-N 1 3 298.431 -0.237 20 0 CBADHO NCc1ccnn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001162593310 815837195 /nfs/dbraw/zinc/83/71/95/815837195.db2.gz GWZBWSJGTOKHPP-NSHDSACASA-N 1 3 260.301 -0.138 20 0 CBADHO O=C(NCCC[NH2+]CCF)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872000 815847408 /nfs/dbraw/zinc/84/74/08/815847408.db2.gz CNPHQNOTCIQEII-MBHSVXNSSA-N 1 3 285.363 -0.085 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3c(n2)CNCC3)N1 ZINC001163239993 815870711 /nfs/dbraw/zinc/87/07/11/815870711.db2.gz WWEXIHCGWYDLNV-RISCZKNCSA-N 1 3 273.340 -0.283 20 0 CBADHO CC[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001293333222 816515154 /nfs/dbraw/zinc/51/51/54/816515154.db2.gz KZAURRNKPLJCSU-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001293333222 816515157 /nfs/dbraw/zinc/51/51/57/816515157.db2.gz KZAURRNKPLJCSU-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]C[C@@H](C)O ZINC001319272129 817185355 /nfs/dbraw/zinc/18/53/55/817185355.db2.gz QFRCUSKPNPUERM-NXEZZACHSA-N 1 3 268.361 -0.017 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320839990 817401147 /nfs/dbraw/zinc/40/11/47/817401147.db2.gz HEFDIMAIQATGJA-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320839990 817401154 /nfs/dbraw/zinc/40/11/54/817401154.db2.gz HEFDIMAIQATGJA-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001320998068 817425994 /nfs/dbraw/zinc/42/59/94/817425994.db2.gz MRMJIJANQIIPID-MVZIDQBPSA-N 1 3 255.362 -0.011 20 0 CBADHO CC(C)[C@@H](C(=O)NC/C=C\CNCC(=O)N(C)C)[NH+](C)C ZINC001321109080 817444010 /nfs/dbraw/zinc/44/40/10/817444010.db2.gz UQUCABOFFLIZQF-DANTVBBOSA-N 1 3 298.431 -0.077 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334688 817484369 /nfs/dbraw/zinc/48/43/69/817484369.db2.gz CJQGUWANEGQZOQ-OEFFGFFESA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321334688 817484372 /nfs/dbraw/zinc/48/43/72/817484372.db2.gz CJQGUWANEGQZOQ-OEFFGFFESA-N 1 3 296.415 -0.275 20 0 CBADHO Nc1cccc(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001165252207 819944100 /nfs/dbraw/zinc/94/41/00/819944100.db2.gz AEUDASZQVYZWIK-UHFFFAOYSA-N 1 3 261.329 -0.278 20 0 CBADHO c1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc2c1CNCC2 ZINC001165269055 819944479 /nfs/dbraw/zinc/94/44/79/819944479.db2.gz BKXDHSRNDWIWNQ-STQMWFEESA-N 1 3 275.356 -0.311 20 0 CBADHO CN(CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001165492655 819968985 /nfs/dbraw/zinc/96/89/85/819968985.db2.gz YBPOMGFUVNIYPK-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001165718993 819982462 /nfs/dbraw/zinc/98/24/62/819982462.db2.gz WGWGMUIUCJQXGZ-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)N(C)C ZINC001166004467 819988254 /nfs/dbraw/zinc/98/82/54/819988254.db2.gz OMZULUBIMXGANS-LLVKDONJSA-N 1 3 258.366 -0.846 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCn1cncn1)N(C)C ZINC001166010146 819990241 /nfs/dbraw/zinc/99/02/41/819990241.db2.gz IQWYZWSHFQYKBX-CYBMUJFWSA-N 1 3 296.419 -0.040 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010262 819990513 /nfs/dbraw/zinc/99/05/13/819990513.db2.gz MMDVGUKGHRMADH-QWHCGFSZSA-N 1 3 289.420 -0.324 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001166011164 819990746 /nfs/dbraw/zinc/99/07/46/819990746.db2.gz YVLHHBYGKLGXGL-NWDGAFQWSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCO)C1 ZINC001166677787 820012620 /nfs/dbraw/zinc/01/26/20/820012620.db2.gz NDOQWJHWUCSFSY-GFCCVEGCSA-N 1 3 257.378 -0.194 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(=O)N(C)C ZINC001166678158 820013078 /nfs/dbraw/zinc/01/30/78/820013078.db2.gz UDOKFRAZZVTMCW-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667562 820013143 /nfs/dbraw/zinc/01/31/43/820013143.db2.gz DJOGMNDPKUDXNW-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166668249 820013173 /nfs/dbraw/zinc/01/31/73/820013173.db2.gz WUYYAYAWYMBJOT-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676641 820014360 /nfs/dbraw/zinc/01/43/60/820014360.db2.gz AGQGDUNJHJHZNT-NEPJUHHUSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676643 820015033 /nfs/dbraw/zinc/01/50/33/820015033.db2.gz AGQGDUNJHJHZNT-RYUDHWBXSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(=O)N(C)C ZINC001166678159 820017036 /nfs/dbraw/zinc/01/70/36/820017036.db2.gz UDOKFRAZZVTMCW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765332 820034555 /nfs/dbraw/zinc/03/45/55/820034555.db2.gz XROSKGNNSCGFKJ-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001166858341 820042589 /nfs/dbraw/zinc/04/25/89/820042589.db2.gz QIHAPSBHKXRCLJ-QWRGUYRKSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001166858330 820042631 /nfs/dbraw/zinc/04/26/31/820042631.db2.gz PWVUURLZKNTZIE-NEPJUHHUSA-N 1 3 275.393 -0.570 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001166858340 820043090 /nfs/dbraw/zinc/04/30/90/820043090.db2.gz QIHAPSBHKXRCLJ-MNOVXSKESA-N 1 3 298.387 -0.772 20 0 CBADHO [NH3+][C@H]1CN(c2cc(Cl)nc3c2CCNC3)C[C@H]1O ZINC001167093635 820071343 /nfs/dbraw/zinc/07/13/43/820071343.db2.gz XPUBTKPPYJVKLU-GZMMTYOYSA-N 1 3 268.748 -0.111 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001168755743 820176536 /nfs/dbraw/zinc/17/65/36/820176536.db2.gz RJRDFMCWSLTEGZ-UHFFFAOYSA-N 1 3 299.419 -0.551 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN(CC)CC)C(N)=O ZINC001168763930 820179824 /nfs/dbraw/zinc/17/98/24/820179824.db2.gz VEJQVZXZPCMHIA-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO NCc1cnnn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001169308119 820226336 /nfs/dbraw/zinc/22/63/36/820226336.db2.gz HGOUNPVACRHVGI-UHFFFAOYSA-N 1 3 289.343 -0.009 20 0 CBADHO C[C@H]1CN(c2ccc(-n3nncc3CN)nn2)CC[NH2+]1 ZINC001169307757 820226433 /nfs/dbraw/zinc/22/64/33/820226433.db2.gz CYBADVYSKSCCOE-VIFPVBQESA-N 1 3 274.332 -0.686 20 0 CBADHO NCc1cnnn1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001169308551 820227017 /nfs/dbraw/zinc/22/70/17/820227017.db2.gz PEDSSBRYWIIPBS-UHFFFAOYSA-N 1 3 279.735 -0.142 20 0 CBADHO CN1CC(CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001170249887 820283249 /nfs/dbraw/zinc/28/32/49/820283249.db2.gz RMLHCWKEIKGXCK-UHFFFAOYSA-N 1 3 262.361 -0.140 20 0 CBADHO CN1CCN(c2cc(N[C@@H](N)CCC[NH3+])ncn2)CC1 ZINC001170898889 820336567 /nfs/dbraw/zinc/33/65/67/820336567.db2.gz RGILBAPLTFNXMX-LLVKDONJSA-N 1 3 279.392 -0.336 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001171758295 820369629 /nfs/dbraw/zinc/36/96/29/820369629.db2.gz VPVFINDOUWHDMK-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001171757330 820369863 /nfs/dbraw/zinc/36/98/63/820369863.db2.gz IXSUNMBYXOIRTI-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001171762774 820370300 /nfs/dbraw/zinc/37/03/00/820370300.db2.gz KOORSFUPOXDPFC-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO [NH3+]CCN1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172148575 820384099 /nfs/dbraw/zinc/38/40/99/820384099.db2.gz AVCJCQUOAFXLSR-CHWSQXEVSA-N 1 3 266.389 -0.284 20 0 CBADHO COCCC[NH+]1CCC(NC[C@@H]2CNC(=O)CO2)CC1 ZINC001172247200 820391669 /nfs/dbraw/zinc/39/16/69/820391669.db2.gz JUJGFYBOMZDZTB-CYBMUJFWSA-N 1 3 285.388 -0.408 20 0 CBADHO COCCC[NH+]1CCC(N[C@H](CO)[C@@H](C)O)CC1 ZINC001172242678 820391702 /nfs/dbraw/zinc/39/17/02/820391702.db2.gz GAOOEEHDPCISHQ-DGCLKSJQSA-N 1 3 260.378 -0.181 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H](C)O ZINC001174683953 820415380 /nfs/dbraw/zinc/41/53/80/820415380.db2.gz XDPRXFFSNHMFEA-VIFPVBQESA-N 1 3 254.334 -0.263 20 0 CBADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072417 820438902 /nfs/dbraw/zinc/43/89/02/820438902.db2.gz SMFVRHXZQPXGEW-GFCCVEGCSA-N 1 3 294.403 -0.154 20 0 CBADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072417 820438904 /nfs/dbraw/zinc/43/89/04/820438904.db2.gz SMFVRHXZQPXGEW-GFCCVEGCSA-N 1 3 294.403 -0.154 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN(C)C(C)C)C(N)=O ZINC001176975062 820484729 /nfs/dbraw/zinc/48/47/29/820484729.db2.gz JRIBHRXEZFPTTO-NSHDSACASA-N 1 3 272.393 -0.314 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971712 820485379 /nfs/dbraw/zinc/48/53/79/820485379.db2.gz GADVYTSDZOHMHX-UHFFFAOYSA-N 1 3 286.420 -0.053 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1CCCN1C ZINC001178360914 820578223 /nfs/dbraw/zinc/57/82/23/820578223.db2.gz SKGZEGCRJAJVQJ-MELADBBJSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C)N(C)C ZINC001178990290 820613764 /nfs/dbraw/zinc/61/37/64/820613764.db2.gz QMFUSUJYZOOSGQ-SDDRHHMPSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(N)=O ZINC001179431236 820627400 /nfs/dbraw/zinc/62/74/00/820627400.db2.gz RLCQIYOOCURQEU-WOPDTQHZSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001179471799 820630537 /nfs/dbraw/zinc/63/05/37/820630537.db2.gz BLAVGKIMKJJKCD-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C)N(C)C ZINC001179550179 820631570 /nfs/dbraw/zinc/63/15/70/820631570.db2.gz QMFUSUJYZOOSGQ-SRVKXCTJSA-N 1 3 284.404 -0.348 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653333 820807442 /nfs/dbraw/zinc/80/74/42/820807442.db2.gz XXIGNSHLNHUDEG-UPJWGTAASA-N 1 3 285.388 -0.722 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(=O)[nH]n1 ZINC001181737051 820818815 /nfs/dbraw/zinc/81/88/15/820818815.db2.gz INTYQKULICZHPQ-UHFFFAOYSA-N 1 3 252.278 -0.286 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676352 820936002 /nfs/dbraw/zinc/93/60/02/820936002.db2.gz JAPQDLCCTQSKRK-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676352 820936006 /nfs/dbraw/zinc/93/60/06/820936006.db2.gz JAPQDLCCTQSKRK-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCNC1=O ZINC001183027637 820965536 /nfs/dbraw/zinc/96/55/36/820965536.db2.gz SZUUYWNMRPPPCD-SECBINFHSA-N 1 3 269.349 -0.814 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183230484 820983017 /nfs/dbraw/zinc/98/30/17/820983017.db2.gz ZXLNSQRMRDADJL-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229322 820983313 /nfs/dbraw/zinc/98/33/13/820983313.db2.gz IISOMSFUOMORQG-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001183267835 820985599 /nfs/dbraw/zinc/98/55/99/820985599.db2.gz ONGSBFGTQTUPCS-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183266866 820985971 /nfs/dbraw/zinc/98/59/71/820985971.db2.gz HERHTHYQKUCKDF-HZSPNIEDSA-N 1 3 299.415 -0.476 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436282 820994520 /nfs/dbraw/zinc/99/45/20/820994520.db2.gz MRWCZWPOIDZSAE-YPMHNXCESA-N 1 3 284.404 -0.491 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001183758993 821031684 /nfs/dbraw/zinc/03/16/84/821031684.db2.gz DIGHZXITJVLPFO-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001183758993 821031692 /nfs/dbraw/zinc/03/16/92/821031692.db2.gz DIGHZXITJVLPFO-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001183759573 821032238 /nfs/dbraw/zinc/03/22/38/821032238.db2.gz MLXZSJNROOBNEF-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001183759573 821032245 /nfs/dbraw/zinc/03/22/45/821032245.db2.gz MLXZSJNROOBNEF-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1[nH]c(=O)ccc1Cl ZINC001184816212 821086079 /nfs/dbraw/zinc/08/60/79/821086079.db2.gz QIIUDWIDQKTTJC-UHFFFAOYSA-N 1 3 285.735 -0.059 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158704 821101382 /nfs/dbraw/zinc/10/13/82/821101382.db2.gz VDXDTRNKLDLZOE-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158704 821101387 /nfs/dbraw/zinc/10/13/87/821101387.db2.gz VDXDTRNKLDLZOE-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185247153 821108894 /nfs/dbraw/zinc/10/88/94/821108894.db2.gz ZBEDNPQKUIKBJW-XQQFMLRXSA-N 1 3 268.405 -0.217 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185247153 821108902 /nfs/dbraw/zinc/10/89/02/821108902.db2.gz ZBEDNPQKUIKBJW-XQQFMLRXSA-N 1 3 268.405 -0.217 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185249104 821112316 /nfs/dbraw/zinc/11/23/16/821112316.db2.gz OGKBZKMKFRENIW-SNVBAGLBSA-N 1 3 256.350 -0.996 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001185401605 821128108 /nfs/dbraw/zinc/12/81/08/821128108.db2.gz UOXNAHUVDNBCGR-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650689 821135960 /nfs/dbraw/zinc/13/59/60/821135960.db2.gz LOODLDKBUVDPPC-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650689 821135965 /nfs/dbraw/zinc/13/59/65/821135965.db2.gz LOODLDKBUVDPPC-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651322 821136265 /nfs/dbraw/zinc/13/62/65/821136265.db2.gz XOCJKYZWBKSABE-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185651322 821136269 /nfs/dbraw/zinc/13/62/69/821136269.db2.gz XOCJKYZWBKSABE-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650083 821136663 /nfs/dbraw/zinc/13/66/63/821136663.db2.gz BXKXVMPBYKAJGS-MGPQQGTHSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185651348 821137427 /nfs/dbraw/zinc/13/74/27/821137427.db2.gz YPRWYAUEWYVBFZ-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659857 821138581 /nfs/dbraw/zinc/13/85/81/821138581.db2.gz QZJIIGRAVXAQQN-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659668 821138931 /nfs/dbraw/zinc/13/89/31/821138931.db2.gz NZBTWDHAIWXYHO-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659668 821138937 /nfs/dbraw/zinc/13/89/37/821138937.db2.gz NZBTWDHAIWXYHO-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001185715362 821140266 /nfs/dbraw/zinc/14/02/66/821140266.db2.gz CEERSULUDJUWBI-UPJWGTAASA-N 1 3 287.404 -0.476 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186488333 821184127 /nfs/dbraw/zinc/18/41/27/821184127.db2.gz PXQRYSPDRLCKSQ-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001186497006 821185106 /nfs/dbraw/zinc/18/51/06/821185106.db2.gz WOWVMMDAPZVJHA-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001186808609 821198442 /nfs/dbraw/zinc/19/84/42/821198442.db2.gz PEISUICWVKVDGJ-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001186808609 821198451 /nfs/dbraw/zinc/19/84/51/821198451.db2.gz PEISUICWVKVDGJ-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824976 821198799 /nfs/dbraw/zinc/19/87/99/821198799.db2.gz SVIQHNLADCKCRH-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824976 821198802 /nfs/dbraw/zinc/19/88/02/821198802.db2.gz SVIQHNLADCKCRH-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001186834088 821201209 /nfs/dbraw/zinc/20/12/09/821201209.db2.gz LGZRZPQSMNEQMK-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001186834088 821201218 /nfs/dbraw/zinc/20/12/18/821201218.db2.gz LGZRZPQSMNEQMK-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001186833175 821202036 /nfs/dbraw/zinc/20/20/36/821202036.db2.gz AIIARFTXFLBMNJ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001186833175 821202043 /nfs/dbraw/zinc/20/20/43/821202043.db2.gz AIIARFTXFLBMNJ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001280263762 828347614 /nfs/dbraw/zinc/34/76/14/828347614.db2.gz LTFBYYAKLPQQOK-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187291069 822263277 /nfs/dbraw/zinc/26/32/77/822263277.db2.gz GEQAHNDUMPPWOB-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001187298890 822264689 /nfs/dbraw/zinc/26/46/89/822264689.db2.gz PPPHRKVYRISSBO-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001187298890 822264699 /nfs/dbraw/zinc/26/46/99/822264699.db2.gz PPPHRKVYRISSBO-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001187329319 822269005 /nfs/dbraw/zinc/26/90/05/822269005.db2.gz PLLXIDFRJZKVOV-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818579 822297258 /nfs/dbraw/zinc/29/72/58/822297258.db2.gz REKSQWBOZLZAHS-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818579 822297267 /nfs/dbraw/zinc/29/72/67/822297267.db2.gz REKSQWBOZLZAHS-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO COCCn1ccc(C(=O)N(CCCC[NH3+])C(=N)N)n1 ZINC001187909653 822308356 /nfs/dbraw/zinc/30/83/56/822308356.db2.gz MNNCIPIYNHHFAE-UHFFFAOYSA-N 1 3 282.348 -0.396 20 0 CBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCO ZINC001282141511 828436313 /nfs/dbraw/zinc/43/63/13/828436313.db2.gz OKLXOUARIZVQEK-WDEREUQCSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]CCCO)N1CCCC1 ZINC001283792639 828549081 /nfs/dbraw/zinc/54/90/81/828549081.db2.gz MYARCHPKPRSJDJ-GFCCVEGCSA-N 1 3 287.404 -0.690 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001189054636 823731481 /nfs/dbraw/zinc/73/14/81/823731481.db2.gz IRYAJOJEVLFWLS-NWDGAFQWSA-N 1 3 255.362 -0.537 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc(CO)ccn1 ZINC001193933489 824052006 /nfs/dbraw/zinc/05/20/06/824052006.db2.gz UCSSDSKENLDQJN-UHFFFAOYSA-N 1 3 265.317 -0.352 20 0 CBADHO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036713 824057286 /nfs/dbraw/zinc/05/72/86/824057286.db2.gz COOGCNBJCYJSAO-CQSZACIVSA-N 1 3 299.415 -0.376 20 0 CBADHO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036713 824057293 /nfs/dbraw/zinc/05/72/93/824057293.db2.gz COOGCNBJCYJSAO-CQSZACIVSA-N 1 3 299.415 -0.376 20 0 CBADHO Cc1cc(C(=O)N(CCCC[NH3+])C(=N)N)ncn1 ZINC001194057652 824057994 /nfs/dbraw/zinc/05/79/94/824057994.db2.gz WXBGPWWVYUOEBU-UHFFFAOYSA-N 1 3 250.306 -0.140 20 0 CBADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)OC ZINC001195859045 824133718 /nfs/dbraw/zinc/13/37/18/824133718.db2.gz COYHRSFTUSQZRA-JHJVBQTASA-N 1 3 287.404 -0.476 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001195860315 824135919 /nfs/dbraw/zinc/13/59/19/824135919.db2.gz VJFPIXXYJGCHRA-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493502 824194484 /nfs/dbraw/zinc/19/44/84/824194484.db2.gz QCCNTYYYYLETPQ-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493502 824194488 /nfs/dbraw/zinc/19/44/88/824194488.db2.gz QCCNTYYYYLETPQ-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001197784323 824201319 /nfs/dbraw/zinc/20/13/19/824201319.db2.gz VJEYJZZKWAFLRG-CHWSQXEVSA-N 1 3 285.388 -0.864 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197792183 824201871 /nfs/dbraw/zinc/20/18/71/824201871.db2.gz MEDIFWKQYCBFDC-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787532 824287955 /nfs/dbraw/zinc/28/79/55/824287955.db2.gz ARUMDCXQACXJCS-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001201402087 824331888 /nfs/dbraw/zinc/33/18/88/824331888.db2.gz ANIXLXYIRZGBBM-UONOGXRCSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201404317 824331967 /nfs/dbraw/zinc/33/19/67/824331967.db2.gz UMIXQRVCDSAKLD-KGLIPLIRSA-N 1 3 299.415 -0.330 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201493534 824333846 /nfs/dbraw/zinc/33/38/46/824333846.db2.gz GCILQZIPSOZHNC-CYBMUJFWSA-N 1 3 296.371 -0.458 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001202990908 824356318 /nfs/dbraw/zinc/35/63/18/824356318.db2.gz FVCKTDLWMLBVFR-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714875 824362719 /nfs/dbraw/zinc/36/27/19/824362719.db2.gz UIELCCFAWPFXLS-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(=O)N1CCC[C@@H](CN2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001206512584 824402013 /nfs/dbraw/zinc/40/20/13/824402013.db2.gz PWVFTHPAVSFCHQ-AVGNSLFASA-N 1 3 255.362 -0.504 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335674 824450585 /nfs/dbraw/zinc/45/05/85/824450585.db2.gz XYNLMJOXNMYGPB-OCCSQVGLSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001209303512 824469023 /nfs/dbraw/zinc/46/90/23/824469023.db2.gz KUAFPYVXFIYZOB-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001209444238 824470984 /nfs/dbraw/zinc/47/09/84/824470984.db2.gz DZOMJNYYTIHWFQ-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408248 824471067 /nfs/dbraw/zinc/47/10/67/824471067.db2.gz JONRLSYMJNWZBY-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408249 824471257 /nfs/dbraw/zinc/47/12/57/824471257.db2.gz JONRLSYMJNWZBY-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210217676 824478392 /nfs/dbraw/zinc/47/83/92/824478392.db2.gz LACUKRGZPQPNGP-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857710 824515872 /nfs/dbraw/zinc/51/58/72/824515872.db2.gz TYQNSDXCGLKQBG-BFHYXJOUSA-N 1 3 299.415 -0.210 20 0 CBADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857710 824515874 /nfs/dbraw/zinc/51/58/74/824515874.db2.gz TYQNSDXCGLKQBG-BFHYXJOUSA-N 1 3 299.415 -0.210 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1N[C@H]1CCNC1=O ZINC001215421612 824541852 /nfs/dbraw/zinc/54/18/52/824541852.db2.gz IOMYSJWDAQZQEB-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001215571386 824543223 /nfs/dbraw/zinc/54/32/23/824543223.db2.gz MUAKZZBDQRNDEZ-UTUOFQBUSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001216834743 824548789 /nfs/dbraw/zinc/54/87/89/824548789.db2.gz VYWMPIXNNIZNDN-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851884 824550687 /nfs/dbraw/zinc/55/06/87/824550687.db2.gz KAOIZTYEGYDLQB-VXGBXAGGSA-N 1 3 284.404 -0.491 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216852084 824551097 /nfs/dbraw/zinc/55/10/97/824551097.db2.gz OFKINYBFBZGSMC-CHWSQXEVSA-N 1 3 298.431 -0.149 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(OCCO[C@H]2CC[NH2+]C2)cc1 ZINC001218395355 824567445 /nfs/dbraw/zinc/56/74/45/824567445.db2.gz UUQMWHHSJLKSKY-KBPBESRZSA-N 1 3 293.367 -0.201 20 0 CBADHO COc1nc(Cl)cc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)n1 ZINC001218519109 824580049 /nfs/dbraw/zinc/58/00/49/824580049.db2.gz QVWFULCOVJHIGQ-RITPCOANSA-N 1 3 271.708 -0.234 20 0 CBADHO NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532806 824585533 /nfs/dbraw/zinc/58/55/33/824585533.db2.gz KBCXAPZPPWBBKY-RITPCOANSA-N 1 3 255.347 -0.816 20 0 CBADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CNCCN3)sc2C1 ZINC001218535073 824585579 /nfs/dbraw/zinc/58/55/79/824585579.db2.gz WNJBQOPLUVUJBH-IONNQARKSA-N 1 3 281.385 -0.541 20 0 CBADHO N=c1scc(N)n1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218539906 824587086 /nfs/dbraw/zinc/58/70/86/824587086.db2.gz AIAQJCJCEMNUAR-LURJTMIESA-N 1 3 253.331 -0.940 20 0 CBADHO N[C@H](C(=O)Nc1noc2nccnc12)C1CC[NH2+]CC1 ZINC001218574645 824597813 /nfs/dbraw/zinc/59/78/13/824597813.db2.gz OOXGWEORFRJWNX-QMMMGPOBSA-N 1 3 276.300 -0.117 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@@H](N)CCC[NH3+])ncn1 ZINC001218611464 824603092 /nfs/dbraw/zinc/60/30/92/824603092.db2.gz XZLVAWJROKJPFH-QMMMGPOBSA-N 1 3 266.305 -0.560 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ncn1 ZINC001218611502 824603715 /nfs/dbraw/zinc/60/37/15/824603715.db2.gz ZHBJQLPGJHJDTJ-LBPRGKRZSA-N 1 3 292.343 -0.300 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2csc(N3CCOCC3)n2)C1 ZINC001218621931 824606230 /nfs/dbraw/zinc/60/62/30/824606230.db2.gz OXWBBFMGKXWFBD-BDAKNGLRSA-N 1 3 297.384 -0.393 20 0 CBADHO CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)c1nccnc1N ZINC001218623814 824607645 /nfs/dbraw/zinc/60/76/45/824607645.db2.gz SDDWZRQKRRBTDS-VIFPVBQESA-N 1 3 264.333 -0.652 20 0 CBADHO CCOC(=O)c1cc(NC(=O)[C@H](N)CCC[NH3+])n(C)n1 ZINC001218637418 824611925 /nfs/dbraw/zinc/61/19/25/824611925.db2.gz WGCVYTLQOYHWKZ-MRVPVSSYSA-N 1 3 283.332 -0.399 20 0 CBADHO CCc1nccnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218646807 824614378 /nfs/dbraw/zinc/61/43/78/824614378.db2.gz SCWZXBZCZHOLPM-SECBINFHSA-N 1 3 261.329 -0.214 20 0 CBADHO O=C(Nc1cn[nH]c(=O)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218651626 824616053 /nfs/dbraw/zinc/61/60/53/824616053.db2.gz CKLIMRSWAMRKHK-PRHODGIISA-N 1 3 263.301 -0.680 20 0 CBADHO N[C@H](C(=O)Nc1cn[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001218652984 824617155 /nfs/dbraw/zinc/61/71/55/824617155.db2.gz UDLZSHVJJKNBCQ-JTQLQIEISA-N 1 3 251.290 -0.552 20 0 CBADHO O=C(Nc1ccn2cnnc2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218657755 824618311 /nfs/dbraw/zinc/61/83/11/824618311.db2.gz RRCCKQNKJDHDQH-QMTHXVAHSA-N 1 3 286.339 -0.133 20 0 CBADHO COCn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218701573 824624934 /nfs/dbraw/zinc/62/49/34/824624934.db2.gz WFMAOUNNGFJPRD-ZWNOBZJWSA-N 1 3 279.344 -0.375 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710227 824626741 /nfs/dbraw/zinc/62/67/41/824626741.db2.gz GOANDIZQJFEPPA-SFYZADRCSA-N 1 3 254.290 -0.253 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)Nc2cc([C@H]3CCCN3)no2)C1 ZINC001218713934 824627112 /nfs/dbraw/zinc/62/71/12/824627112.db2.gz VADRNDBXVUNUTI-MRTMQBJTSA-N 1 3 265.317 -0.273 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218713485 824627501 /nfs/dbraw/zinc/62/75/01/824627501.db2.gz RZSPCVPJTHBEMO-NRPADANISA-N 1 3 266.301 -0.240 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1[NH2+]CC[C@H]1O ZINC001218710262 824627591 /nfs/dbraw/zinc/62/75/91/824627591.db2.gz DLPMJDTZVYJHIO-NMLBEHRDSA-N 1 3 266.301 -0.240 20 0 CBADHO N[C@]1(C(=O)Nc2cc([C@H]3CCCN3)no2)CC[NH2+]C1 ZINC001218714296 824628142 /nfs/dbraw/zinc/62/81/42/824628142.db2.gz XIJSROYOUFYSRK-PRHODGIISA-N 1 3 265.317 -0.272 20 0 CBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218713661 824628152 /nfs/dbraw/zinc/62/81/52/824628152.db2.gz UIBXBNUOHKFSRK-XHNCKOQMSA-N 1 3 265.317 -0.416 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218741009 824629887 /nfs/dbraw/zinc/62/98/87/824629887.db2.gz HNOSDKURKQVVBV-IAQYHMDHSA-N 1 3 289.383 -0.170 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218742380 824631905 /nfs/dbraw/zinc/63/19/05/824631905.db2.gz XLGGZOOHDVPZDJ-ZDUSSCGKSA-N 1 3 277.372 -0.042 20 0 CBADHO Cc1cnn(CCO)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218749624 824633236 /nfs/dbraw/zinc/63/32/36/824633236.db2.gz GIGYGKDLOUCMCQ-JTQLQIEISA-N 1 3 269.349 -0.421 20 0 CBADHO Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n(CCF)n1 ZINC001218743780 824633407 /nfs/dbraw/zinc/63/34/07/824633407.db2.gz NRWKWEDVCJRHLK-SNVBAGLBSA-N 1 3 281.335 -0.091 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746880 824633608 /nfs/dbraw/zinc/63/36/08/824633608.db2.gz QFPZGGHHZQKEQT-ZDUSSCGKSA-N 1 3 293.371 -0.077 20 0 CBADHO COc1cc(OC)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218760231 824634251 /nfs/dbraw/zinc/63/42/51/824634251.db2.gz VJZNDISYVXPHFY-VIFPVBQESA-N 1 3 292.339 -0.154 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[n-]1 ZINC001218765460 824635568 /nfs/dbraw/zinc/63/55/68/824635568.db2.gz UBHZEWQWROADON-SNVBAGLBSA-N 1 3 295.343 -0.148 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])[n-]1 ZINC001218765549 824636580 /nfs/dbraw/zinc/63/65/80/824636580.db2.gz VNFWVRQIUNRATL-QMMMGPOBSA-N 1 3 283.332 -0.019 20 0 CBADHO COC(=O)c1ccc(OC)nc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218790735 824638830 /nfs/dbraw/zinc/63/88/30/824638830.db2.gz QWULQNKQGMVTTF-VIFPVBQESA-N 1 3 296.327 -0.119 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cnn2c1OCCC2 ZINC001218794244 824640379 /nfs/dbraw/zinc/64/03/79/824640379.db2.gz OPIPUIKWHDCQIK-MRVPVSSYSA-N 1 3 253.306 -0.330 20 0 CBADHO Cn1nnc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccc21 ZINC001218876964 824644654 /nfs/dbraw/zinc/64/46/54/824644654.db2.gz DRTGYEGWLCMAFX-JTQLQIEISA-N 1 3 286.339 -0.284 20 0 CBADHO Nc1ccc(COCCO)c(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001218916902 824647400 /nfs/dbraw/zinc/64/74/00/824647400.db2.gz DJRYRDFWPYMDMN-GFCCVEGCSA-N 1 3 296.371 -0.218 20 0 CBADHO Nc1ccc(NC(=O)[C@@H](N)CCC[NH3+])c(CCO)c1 ZINC001218919843 824648325 /nfs/dbraw/zinc/64/83/25/824648325.db2.gz SAVXRDHRAXROCN-NSHDSACASA-N 1 3 266.345 -0.192 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219029463 824654767 /nfs/dbraw/zinc/65/47/67/824654767.db2.gz ACEQQOMBNYRSAV-AAEUAGOBSA-N 1 3 277.324 -0.170 20 0 CBADHO N=c1c2cc(N)ccc2on1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219136950 824666391 /nfs/dbraw/zinc/66/63/91/824666391.db2.gz XPYNZVKWIKDMDG-SNVBAGLBSA-N 1 3 287.323 -0.255 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001219442021 824709886 /nfs/dbraw/zinc/70/98/86/824709886.db2.gz ZPTZHXVVJWVYDN-SNVBAGLBSA-N 1 3 266.301 -0.504 20 0 CBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1CNCCN1 ZINC001219537322 824723524 /nfs/dbraw/zinc/72/35/24/824723524.db2.gz KZCFOMATUSEBNO-SUZMYJTESA-N 1 3 288.351 -0.366 20 0 CBADHO O=C(NCC(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219554043 824728148 /nfs/dbraw/zinc/72/81/48/824728148.db2.gz STTDNUZXHYWJLJ-VXNVDRBHSA-N 1 3 251.252 -0.136 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587189 824738138 /nfs/dbraw/zinc/73/81/38/824738138.db2.gz VCYIYBRTLHEZER-XKNYDFJKSA-N 1 3 256.350 -0.905 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCNC3)C[NH2+]1 ZINC001219593615 824739087 /nfs/dbraw/zinc/73/90/87/824739087.db2.gz ABCUAVPBNIMIET-IUCAKERBSA-N 1 3 263.345 -0.074 20 0 CBADHO Cc1cnc(CCNC(=O)[C@H](N)CCC[NH3+])nc1 ZINC001219600936 824741385 /nfs/dbraw/zinc/74/13/85/824741385.db2.gz JDTOMPFRQDAKHO-SNVBAGLBSA-N 1 3 251.334 -0.490 20 0 CBADHO Cc1cnc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)nc1 ZINC001219600705 824741510 /nfs/dbraw/zinc/74/15/10/824741510.db2.gz DDPTTXZBIWDEAE-LLVKDONJSA-N 1 3 275.356 -0.747 20 0 CBADHO Cc1cc(CNC(=O)[C@@H](N)CSCC[NH3+])no1 ZINC001219604020 824849687 /nfs/dbraw/zinc/84/96/87/824849687.db2.gz HZRFKTVYNRLHCJ-VIFPVBQESA-N 1 3 258.347 -0.382 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@H](O)c1ccco1 ZINC001219604231 824849994 /nfs/dbraw/zinc/84/99/94/824849994.db2.gz LECMNFCTZMOCPE-UWVGGRQHSA-N 1 3 255.318 -0.115 20 0 CBADHO CC(C)C[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219630300 824865103 /nfs/dbraw/zinc/86/51/03/824865103.db2.gz AEGIADVRIQUYBX-YRGRVCCFSA-N 1 3 269.389 -0.291 20 0 CBADHO CC(C)C[C@H](CO)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219631259 824866179 /nfs/dbraw/zinc/86/61/79/824866179.db2.gz UUJGJRKACVVZSU-MNOVXSKESA-N 1 3 255.362 -0.681 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001219638895 824867630 /nfs/dbraw/zinc/86/76/30/824867630.db2.gz RIPOGFZQGXMQEV-SCVCMEIPSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001219638895 824867634 /nfs/dbraw/zinc/86/76/34/824867634.db2.gz RIPOGFZQGXMQEV-SCVCMEIPSA-N 1 3 265.361 -0.359 20 0 CBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219882887 824909078 /nfs/dbraw/zinc/90/90/78/824909078.db2.gz POKLHCZPZCEEGG-MVWJERBFSA-N 1 3 257.378 -0.164 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219642349 824869599 /nfs/dbraw/zinc/86/95/99/824869599.db2.gz SBJCISYFJGVYCR-DCAQKATOSA-N 1 3 271.361 -0.371 20 0 CBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219882888 824909522 /nfs/dbraw/zinc/90/95/22/824909522.db2.gz POKLHCZPZCEEGG-WCQGTBRESA-N 1 3 257.378 -0.164 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219642348 824870261 /nfs/dbraw/zinc/87/02/61/824870261.db2.gz SBJCISYFJGVYCR-AXFHLTTASA-N 1 3 271.361 -0.371 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219649344 824872750 /nfs/dbraw/zinc/87/27/50/824872750.db2.gz IEIWMDZWGSPLGL-CKCRQCODSA-N 1 3 275.418 -0.556 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650982 824873696 /nfs/dbraw/zinc/87/36/96/824873696.db2.gz SEXOSVBUICOMMT-FMSGJZPZSA-N 1 3 298.431 -0.162 20 0 CBADHO O=C(NCc1cc[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219688955 824879207 /nfs/dbraw/zinc/87/92/07/824879207.db2.gz ASFWXGIMICAYQY-NSHDSACASA-N 1 3 263.345 -0.100 20 0 CBADHO O=C(NCc1cc[nH]n1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219688955 824879213 /nfs/dbraw/zinc/87/92/13/824879213.db2.gz ASFWXGIMICAYQY-NSHDSACASA-N 1 3 263.345 -0.100 20 0 CBADHO CN1CCO[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001219694824 824881064 /nfs/dbraw/zinc/88/10/64/824881064.db2.gz MZVMRLNFNSROBN-STQMWFEESA-N 1 3 286.420 -0.508 20 0 CBADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696238 824881280 /nfs/dbraw/zinc/88/12/80/824881280.db2.gz DNSDBXGIIOQQJM-AWEZNQCLSA-N 1 3 295.358 -0.074 20 0 CBADHO Cn1cccc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219699161 824882759 /nfs/dbraw/zinc/88/27/59/824882759.db2.gz UUNLZASUOBDFGF-GFCCVEGCSA-N 1 3 250.346 -0.032 20 0 CBADHO N[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)C1Cc2ccccc2C1 ZINC001219712022 824884578 /nfs/dbraw/zinc/88/45/78/824884578.db2.gz KJKJXKKLSMFUPK-MCIONIFRSA-N 1 3 275.352 -0.822 20 0 CBADHO CN[C@@H](COCc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712874 824884802 /nfs/dbraw/zinc/88/48/02/824884802.db2.gz YBLNSKOFVRWKHC-HZSPNIEDSA-N 1 3 293.367 -0.760 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767716 824891515 /nfs/dbraw/zinc/89/15/15/824891515.db2.gz CRNLDFCRTKPFNG-CMPLNLGQSA-N 1 3 269.324 -0.513 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771772 824891743 /nfs/dbraw/zinc/89/17/43/824891743.db2.gz ROIPDVNPSUIEPP-GFCCVEGCSA-N 1 3 277.372 -0.072 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771772 824891745 /nfs/dbraw/zinc/89/17/45/824891745.db2.gz ROIPDVNPSUIEPP-GFCCVEGCSA-N 1 3 277.372 -0.072 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768966 824892438 /nfs/dbraw/zinc/89/24/38/824892438.db2.gz RWOQLGVKCMIGBI-WCQYABFASA-N 1 3 283.351 -0.502 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814583 824897048 /nfs/dbraw/zinc/89/70/48/824897048.db2.gz HCWBIUSSKIRJDM-LAEOZQHASA-N 1 3 263.288 -0.679 20 0 CBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[C@@H](F)CCN1 ZINC001219813664 824898548 /nfs/dbraw/zinc/89/85/48/824898548.db2.gz YOKXJSHRKOCMTK-ZPFDUUQYSA-N 1 3 271.336 -0.571 20 0 CBADHO [NH3+]CCCNCC(=O)N[C@H]1CNCc2ccsc21 ZINC001219825094 824898869 /nfs/dbraw/zinc/89/88/69/824898869.db2.gz COAIPXZMJKQKOB-JTQLQIEISA-N 1 3 268.386 -0.053 20 0 CBADHO N[C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CCC(O)CC1 ZINC001219831708 824899474 /nfs/dbraw/zinc/89/94/74/824899474.db2.gz UZHXIYPEJUOVEV-GCYFGFEUSA-N 1 3 297.399 -0.642 20 0 CBADHO C[C@]1(C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)CCC[NH2+]1 ZINC001219848329 824901726 /nfs/dbraw/zinc/90/17/26/824901726.db2.gz XEQQLNVAMLATQT-MEWQQHAOSA-N 1 3 253.346 -0.236 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219880683 824907461 /nfs/dbraw/zinc/90/74/61/824907461.db2.gz GXQZIVWYHLSYOU-UWVGGRQHSA-N 1 3 269.345 -0.748 20 0 CBADHO C[NH+](C)CCCCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001219918191 824915319 /nfs/dbraw/zinc/91/53/19/824915319.db2.gz HJNCAZXNZWDMSM-LLVKDONJSA-N 1 3 287.408 -0.390 20 0 CBADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCC[NH2+]CCO ZINC001219918812 824915584 /nfs/dbraw/zinc/91/55/84/824915584.db2.gz RGMYETVGOCDKMW-AWEZNQCLSA-N 1 3 283.347 -0.216 20 0 CBADHO NC[C@H](N)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929512 824916819 /nfs/dbraw/zinc/91/68/19/824916819.db2.gz MRDFKVVKWPHISJ-LBPRGKRZSA-N 1 3 277.372 -0.549 20 0 CBADHO CC(C)(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219943752 824918261 /nfs/dbraw/zinc/91/82/61/824918261.db2.gz XKMUMDPVDAEZAK-QMTHXVAHSA-N 1 3 267.373 -0.083 20 0 CBADHO Cc1nonc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219948132 824919835 /nfs/dbraw/zinc/91/98/35/824919835.db2.gz MQYIHWACZOSBBI-ZETCQYMHSA-N 1 3 259.335 -0.987 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001219961764 824924360 /nfs/dbraw/zinc/92/43/60/824924360.db2.gz VSVWLEDANBZCDX-GFCCVEGCSA-N 1 3 288.351 -0.789 20 0 CBADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCCc1c[n-][nH]c1=O ZINC001219970341 824925486 /nfs/dbraw/zinc/92/54/86/824925486.db2.gz YNWKZAPQRDQDHZ-MNOVXSKESA-N 1 3 283.376 -0.539 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219975267 824927959 /nfs/dbraw/zinc/92/79/59/824927959.db2.gz PTOFFKXBDQPNNO-SNVBAGLBSA-N 1 3 256.350 -0.772 20 0 CBADHO O=C(NC[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219978725 824928038 /nfs/dbraw/zinc/92/80/38/824928038.db2.gz QYVJBDAMOXULHM-MBNYWOFBSA-N 1 3 267.373 -0.129 20 0 CBADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219978072 824928089 /nfs/dbraw/zinc/92/80/89/824928089.db2.gz CBXKBHIHSJRLMF-CHWSQXEVSA-N 1 3 296.415 -0.835 20 0 CBADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219978072 824928095 /nfs/dbraw/zinc/92/80/95/824928095.db2.gz CBXKBHIHSJRLMF-CHWSQXEVSA-N 1 3 296.415 -0.835 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219975266 824928305 /nfs/dbraw/zinc/92/83/05/824928305.db2.gz PTOFFKXBDQPNNO-JTQLQIEISA-N 1 3 256.350 -0.772 20 0 CBADHO CN1C[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CCC1=O ZINC001220006853 824932560 /nfs/dbraw/zinc/93/25/60/824932560.db2.gz DMOVGHHAZUNOOI-ZYHUDNBSSA-N 1 3 268.361 -0.950 20 0 CBADHO CN1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220013059 824935026 /nfs/dbraw/zinc/93/50/26/824935026.db2.gz HHPUURPTKXRCDQ-LLVKDONJSA-N 1 3 252.362 -0.709 20 0 CBADHO CN1CC(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220013059 824935028 /nfs/dbraw/zinc/93/50/28/824935028.db2.gz HHPUURPTKXRCDQ-LLVKDONJSA-N 1 3 252.362 -0.709 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCC[NH3+])C1CCOCC1 ZINC001220025447 824938352 /nfs/dbraw/zinc/93/83/52/824938352.db2.gz QDNRFOQYCAEQSI-QWRGUYRKSA-N 1 3 287.360 -0.863 20 0 CBADHO CC(C)(CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(N)=O ZINC001220034435 824938841 /nfs/dbraw/zinc/93/88/41/824938841.db2.gz YJKVJHIZXOEMHQ-SNVBAGLBSA-N 1 3 282.388 -0.512 20 0 CBADHO CC(C)(CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(N)=O ZINC001220034435 824938847 /nfs/dbraw/zinc/93/88/47/824938847.db2.gz YJKVJHIZXOEMHQ-SNVBAGLBSA-N 1 3 282.388 -0.512 20 0 CBADHO COC(=O)c1ccnc(CNC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001220038296 824940589 /nfs/dbraw/zinc/94/05/89/824940589.db2.gz VJOBICQOYUKODV-LBPRGKRZSA-N 1 3 294.355 -0.059 20 0 CBADHO CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220049718 824945299 /nfs/dbraw/zinc/94/52/99/824945299.db2.gz PJCHQGIGJOCOHO-QWRGUYRKSA-N 1 3 283.372 -0.357 20 0 CBADHO C[NH2+]CCNC(=O)c1cnccc1N1CCN(C)CC1 ZINC001220057673 824947181 /nfs/dbraw/zinc/94/71/81/824947181.db2.gz VMIYLQZSKYKZEX-UHFFFAOYSA-N 1 3 277.372 -0.217 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220063827 824948542 /nfs/dbraw/zinc/94/85/42/824948542.db2.gz GIOHKZVIPKEQSS-QMMMGPOBSA-N 1 3 277.390 -0.537 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220064134 824948744 /nfs/dbraw/zinc/94/87/44/824948744.db2.gz SDOMQMAOKVZUSY-MRVPVSSYSA-N 1 3 281.316 -0.712 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220071687 824950914 /nfs/dbraw/zinc/95/09/14/824950914.db2.gz NKIFSOUVLBEYPU-NSHDSACASA-N 1 3 275.356 -0.603 20 0 CBADHO Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])c1[O-] ZINC001220092726 824953198 /nfs/dbraw/zinc/95/31/98/824953198.db2.gz BKAPBWQWGBCABY-LBPRGKRZSA-N 1 3 296.371 -0.340 20 0 CBADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220097276 824954269 /nfs/dbraw/zinc/95/42/69/824954269.db2.gz TUYGBMVMLTXAOO-VIFPVBQESA-N 1 3 293.314 -0.372 20 0 CBADHO O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220099556 824954865 /nfs/dbraw/zinc/95/48/65/824954865.db2.gz RZECSRYKTVKZSH-UTUOFQBUSA-N 1 3 267.373 -0.110 20 0 CBADHO O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220099556 824954874 /nfs/dbraw/zinc/95/48/74/824954874.db2.gz RZECSRYKTVKZSH-UTUOFQBUSA-N 1 3 267.373 -0.110 20 0 CBADHO O=C(NCC1(F)CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220136699 824963605 /nfs/dbraw/zinc/96/36/05/824963605.db2.gz CQQAVBCAAAPYHP-SNVBAGLBSA-N 1 3 271.336 -0.570 20 0 CBADHO O=C(NC1(c2ccccn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220137096 824964005 /nfs/dbraw/zinc/96/40/05/824964005.db2.gz RAOZAJYBPQCMGL-NSHDSACASA-N 1 3 272.352 -0.004 20 0 CBADHO O=C(NCCOC(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220139145 824964588 /nfs/dbraw/zinc/96/45/88/824964588.db2.gz MTSVVCVFJBEEHQ-PSASIEDQSA-N 1 3 281.278 -0.162 20 0 CBADHO CN[C@@H](COCc1ccccc1)C(=O)NC1(C[NH3+])COC1 ZINC001220154636 824970485 /nfs/dbraw/zinc/97/04/85/824970485.db2.gz VVXXCCXIPZPOIR-ZDUSSCGKSA-N 1 3 293.367 -0.365 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cncnc1 ZINC001220183097 824981056 /nfs/dbraw/zinc/98/10/56/824981056.db2.gz DUYIRIDZKLSULY-CABZTGNLSA-N 1 3 263.345 -0.019 20 0 CBADHO N=C(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ncc[nH]1 ZINC001220181463 824981490 /nfs/dbraw/zinc/98/14/90/824981490.db2.gz PNZKTWZXASWBPF-SECBINFHSA-N 1 3 276.344 -0.275 20 0 CBADHO N=C(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ncc[nH]1 ZINC001220181463 824981498 /nfs/dbraw/zinc/98/14/98/824981498.db2.gz PNZKTWZXASWBPF-SECBINFHSA-N 1 3 276.344 -0.275 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220188307 824983064 /nfs/dbraw/zinc/98/30/64/824983064.db2.gz AGNKJCDENDZFBC-IUCAKERBSA-N 1 3 296.387 -0.633 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC1(c2cccnn2)CC1 ZINC001220210062 824987737 /nfs/dbraw/zinc/98/77/37/824987737.db2.gz OZBKMNCOQGUHDH-VIFPVBQESA-N 1 3 281.385 -0.399 20 0 CBADHO CC1(C)C[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001220219210 824988722 /nfs/dbraw/zinc/98/87/22/824988722.db2.gz TXYRGSCETSIGOU-WDEREUQCSA-N 1 3 267.373 -0.131 20 0 CBADHO CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220234517 824991057 /nfs/dbraw/zinc/99/10/57/824991057.db2.gz KNDYCBFFFFTGLH-RYUDHWBXSA-N 1 3 284.404 -0.040 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 ZINC001220229034 824991537 /nfs/dbraw/zinc/99/15/37/824991537.db2.gz JVODQZQUWDAVKE-OLZOCXBDSA-N 1 3 281.400 -0.101 20 0 CBADHO N[C@H](C(=O)N[C@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261236 824999323 /nfs/dbraw/zinc/99/93/23/824999323.db2.gz VMRPPYQFIIAMIX-AAEUAGOBSA-N 1 3 277.372 -0.290 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220272181 825001361 /nfs/dbraw/zinc/00/13/61/825001361.db2.gz SNMYAELFEYZREU-NEPJUHHUSA-N 1 3 255.362 -0.491 20 0 CBADHO COCCn1cncc1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220274584 825002988 /nfs/dbraw/zinc/00/29/88/825002988.db2.gz JLBDJMSUAKACCJ-LBPRGKRZSA-N 1 3 283.376 -0.398 20 0 CBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282898 825004854 /nfs/dbraw/zinc/00/48/54/825004854.db2.gz QDYBWTJITALTLN-VHSXEESVSA-N 1 3 271.361 -0.086 20 0 CBADHO O=C(N[C@H]1COC(=O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220295913 825008038 /nfs/dbraw/zinc/00/80/38/825008038.db2.gz AOOYGHJFBCCZDU-ZJUUUORDSA-N 1 3 267.329 -0.708 20 0 CBADHO O=C(N[C@H]1COC(=O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220295913 825008045 /nfs/dbraw/zinc/00/80/45/825008045.db2.gz AOOYGHJFBCCZDU-ZJUUUORDSA-N 1 3 267.329 -0.708 20 0 CBADHO O=C(N[C@H]1CC12CCOCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220329357 825016849 /nfs/dbraw/zinc/01/68/49/825016849.db2.gz NHGSLONAQRIIJR-TYNCELHUSA-N 1 3 279.384 -0.129 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220331903 825016942 /nfs/dbraw/zinc/01/69/42/825016942.db2.gz FJWHGXPICSAFDY-AGIUHOORSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cnccn1 ZINC001220369111 825021234 /nfs/dbraw/zinc/02/12/34/825021234.db2.gz STOWUNDXBIGUGP-BDAKNGLRSA-N 1 3 269.374 -0.327 20 0 CBADHO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cnccn1 ZINC001220368731 825021252 /nfs/dbraw/zinc/02/12/52/825021252.db2.gz LKWCSLBTZJIZKD-MISXGVKJSA-N 1 3 275.356 -0.147 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CCC2 ZINC001220376928 825022620 /nfs/dbraw/zinc/02/26/20/825022620.db2.gz DRROPKCDUBXGMN-RYUDHWBXSA-N 1 3 276.340 -0.458 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@@]1(N)CC[NH2+]C1)CCC2 ZINC001220377083 825022815 /nfs/dbraw/zinc/02/28/15/825022815.db2.gz JHOIGJRWSPKNIJ-CQSZACIVSA-N 1 3 275.356 -0.490 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@]1(N)CC[NH2+]C1)CCC2 ZINC001220377082 825024110 /nfs/dbraw/zinc/02/41/10/825024110.db2.gz JHOIGJRWSPKNIJ-AWEZNQCLSA-N 1 3 275.356 -0.490 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@]1(N)CCC[NH2+]C1)CCC2 ZINC001220377453 825025415 /nfs/dbraw/zinc/02/54/15/825025415.db2.gz YNXAJYYJHLPHRK-HNNXBMFYSA-N 1 3 289.383 -0.100 20 0 CBADHO CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220382229 825025753 /nfs/dbraw/zinc/02/57/53/825025753.db2.gz TYRMNKKFJBGZMD-OLZOCXBDSA-N 1 3 296.415 -0.693 20 0 CBADHO CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220382229 825025756 /nfs/dbraw/zinc/02/57/56/825025756.db2.gz TYRMNKKFJBGZMD-OLZOCXBDSA-N 1 3 296.415 -0.693 20 0 CBADHO O=C(NCC1(O)CCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220383986 825026768 /nfs/dbraw/zinc/02/67/68/825026768.db2.gz GJAHANACCZJDPI-NSHDSACASA-N 1 3 267.373 -0.108 20 0 CBADHO O=C(NCC1(O)CCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220383986 825026774 /nfs/dbraw/zinc/02/67/74/825026774.db2.gz GJAHANACCZJDPI-NSHDSACASA-N 1 3 267.373 -0.108 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394309 825028079 /nfs/dbraw/zinc/02/80/79/825028079.db2.gz DQWRBTOFYJKJMG-ZDUSSCGKSA-N 1 3 291.399 -0.108 20 0 CBADHO CCOC(=O)c1cccc(CNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001220400770 825029706 /nfs/dbraw/zinc/02/97/06/825029706.db2.gz MCNHJSYMVPQQGH-LLVKDONJSA-N 1 3 294.355 -0.059 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](CO)C(F)(F)F ZINC001220447247 825041599 /nfs/dbraw/zinc/04/15/99/825041599.db2.gz FIGHBIPVRGHGNC-NTSWFWBYSA-N 1 3 275.296 -0.955 20 0 CBADHO O=C(NC[C@H](O)C1CCCCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220466318 825044864 /nfs/dbraw/zinc/04/48/64/825044864.db2.gz ATMYVNQLWMUAIA-OLZOCXBDSA-N 1 3 281.400 -0.147 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220497128 825050146 /nfs/dbraw/zinc/05/01/46/825050146.db2.gz KWDALIYFARBNBZ-XYZCENFISA-N 1 3 261.391 -0.530 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494608 825049903 /nfs/dbraw/zinc/04/99/03/825049903.db2.gz PISNCBSIJNIJKK-JTQLQIEISA-N 1 3 251.334 -0.333 20 0 CBADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220517246 825053058 /nfs/dbraw/zinc/05/30/58/825053058.db2.gz COCVTJITLFRFMU-HNNXBMFYSA-N 1 3 290.411 -0.265 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C2)CCNC1 ZINC001220523137 825055663 /nfs/dbraw/zinc/05/56/63/825055663.db2.gz JPBIBDUIKLEPHZ-CQSZACIVSA-N 1 3 281.356 -0.087 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220530226 825059528 /nfs/dbraw/zinc/05/95/28/825059528.db2.gz NZXANWAQNMOBLG-ZETCQYMHSA-N 1 3 257.725 -0.188 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc2ccnn21 ZINC001220553449 825061587 /nfs/dbraw/zinc/06/15/87/825061587.db2.gz MDBPHNRZNAGPIB-LBPRGKRZSA-N 1 3 293.396 -0.030 20 0 CBADHO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220565914 825062769 /nfs/dbraw/zinc/06/27/69/825062769.db2.gz UXAFDLAYLDPAIX-UTLUCORTSA-N 1 3 261.391 -0.453 20 0 CBADHO O=C(NCOc1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220563593 825064011 /nfs/dbraw/zinc/06/40/11/825064011.db2.gz ZACIBJAZUYCOBV-LBPRGKRZSA-N 1 3 261.325 -0.052 20 0 CBADHO C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220566140 825064861 /nfs/dbraw/zinc/06/48/61/825064861.db2.gz ZXAJXNUVIOGEMQ-MXWKQRLJSA-N 1 3 253.346 -0.663 20 0 CBADHO C[C@@H]1COCC[C@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220566139 825064902 /nfs/dbraw/zinc/06/49/02/825064902.db2.gz ZXAJXNUVIOGEMQ-GMTAPVOTSA-N 1 3 253.346 -0.663 20 0 CBADHO O=C(N[C@@H]1CNc2ccccc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220599259 825076685 /nfs/dbraw/zinc/07/66/85/825076685.db2.gz QXOUDVXMKFGLGH-QWHCGFSZSA-N 1 3 286.379 -0.052 20 0 CBADHO N[C@H](C(=O)N[C@@H]1NC(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001220620183 825077144 /nfs/dbraw/zinc/07/71/44/825077144.db2.gz QEEWFQAWJTYCAA-STQMWFEESA-N 1 3 288.351 -0.128 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccccc1-n1cnnn1 ZINC001220667894 825081848 /nfs/dbraw/zinc/08/18/48/825081848.db2.gz GCUSLNBJLUUGLB-LLVKDONJSA-N 1 3 289.343 -0.655 20 0 CBADHO CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H](C)CC ZINC001220665771 825083173 /nfs/dbraw/zinc/08/31/73/825083173.db2.gz KNQVLDDNCSZGSB-SDDRHHMPSA-N 1 3 297.399 -0.111 20 0 CBADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220687677 825088216 /nfs/dbraw/zinc/08/82/16/825088216.db2.gz RDJRAMMAVGUIFO-LLVKDONJSA-N 1 3 284.404 -0.040 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220709092 825090008 /nfs/dbraw/zinc/09/00/08/825090008.db2.gz RAMLTXVDHNJHMS-LBPRGKRZSA-N 1 3 284.404 -0.266 20 0 CBADHO Nc1ncc(CCNC(=O)[C@@H](N)CSCC[NH3+])s1 ZINC001220704856 825090224 /nfs/dbraw/zinc/09/02/24/825090224.db2.gz VGVMZYNXGQITGF-QMMMGPOBSA-N 1 3 289.430 -0.597 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220756500 825096874 /nfs/dbraw/zinc/09/68/74/825096874.db2.gz FGWHNWGFYRPCKN-DGCLKSJQSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220756500 825096880 /nfs/dbraw/zinc/09/68/80/825096880.db2.gz FGWHNWGFYRPCKN-DGCLKSJQSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220759267 825096897 /nfs/dbraw/zinc/09/68/97/825096897.db2.gz UTRCDGWPWITHJY-LLVKDONJSA-N 1 3 258.366 -0.525 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220756502 825097672 /nfs/dbraw/zinc/09/76/72/825097672.db2.gz FGWHNWGFYRPCKN-YPMHNXCESA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220756502 825097676 /nfs/dbraw/zinc/09/76/76/825097676.db2.gz FGWHNWGFYRPCKN-YPMHNXCESA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)NC[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220756757 825097787 /nfs/dbraw/zinc/09/77/87/825097787.db2.gz JGQTUKJCUGZDHH-ZKYQVNSYSA-N 1 3 282.388 -0.926 20 0 CBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220765867 825098925 /nfs/dbraw/zinc/09/89/25/825098925.db2.gz GYGFABAHPNNWDL-LPEHRKFASA-N 1 3 253.346 -0.929 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220808643 825105424 /nfs/dbraw/zinc/10/54/24/825105424.db2.gz UCMYVAKDCOLDGT-JTQLQIEISA-N 1 3 278.347 -0.100 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CNC[C@@H](F)C2)C[NH2+]C1 ZINC001220826804 825106706 /nfs/dbraw/zinc/10/67/06/825106706.db2.gz AHQIYZONKNCBMV-BDAKNGLRSA-N 1 3 285.319 -0.529 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220848782 825110721 /nfs/dbraw/zinc/11/07/21/825110721.db2.gz IVSBRWAMHHVRAH-ONGXEEELSA-N 1 3 271.361 -0.371 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@H]1[NH2+]CC[C@H]1O ZINC001220868421 825114821 /nfs/dbraw/zinc/11/48/21/825114821.db2.gz ITMQZKSMDYATPY-OLZOCXBDSA-N 1 3 274.324 -0.056 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCO[C@H]1CCCCO1 ZINC001220862328 825115088 /nfs/dbraw/zinc/11/50/88/825115088.db2.gz XLGPAPRDZXDVDT-QWRGUYRKSA-N 1 3 259.350 -0.288 20 0 CBADHO O=C(NCc1cc2ccncc2[nH]1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220868856 825117258 /nfs/dbraw/zinc/11/72/58/825117258.db2.gz XDOMSCVNPMTBEE-LBPRGKRZSA-N 1 3 285.351 -0.012 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)COC1(C)C ZINC001220889936 825120881 /nfs/dbraw/zinc/12/08/81/825120881.db2.gz QYAKVGDHGVTXQQ-AXFHLTTASA-N 1 3 298.387 -0.835 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886944 825121580 /nfs/dbraw/zinc/12/15/80/825121580.db2.gz QFLCVCAXVSGFPG-QWRGUYRKSA-N 1 3 270.377 -0.656 20 0 CBADHO Cc1noc(C2(NC(=O)[C@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001220932019 825125688 /nfs/dbraw/zinc/12/56/88/825125688.db2.gz FOHMHVCOBAJKGI-SECBINFHSA-N 1 3 277.328 -0.708 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCCc2nccnc21 ZINC001220950662 825127278 /nfs/dbraw/zinc/12/72/78/825127278.db2.gz BLUZNXHWOJUOQK-ONGXEEELSA-N 1 3 295.412 -0.011 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939068 825127782 /nfs/dbraw/zinc/12/77/82/825127782.db2.gz GLHNOURWJUZNND-LBPRGKRZSA-N 1 3 296.346 -0.376 20 0 CBADHO NC[C@H](N)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220973467 825130320 /nfs/dbraw/zinc/13/03/20/825130320.db2.gz WVAKCALLXYHOPF-NSHDSACASA-N 1 3 254.378 -0.218 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001221010313 825135806 /nfs/dbraw/zinc/13/58/06/825135806.db2.gz FHMCDGQWZOBABF-BBBLOLIVSA-N 1 3 261.391 -0.311 20 0 CBADHO Cc1nnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)o1 ZINC001221010918 825135856 /nfs/dbraw/zinc/13/58/56/825135856.db2.gz UFDOWYGDGXYRRA-BXKDBHETSA-N 1 3 265.317 -0.807 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)[nH]1 ZINC001221079562 825141347 /nfs/dbraw/zinc/14/13/47/825141347.db2.gz FGELMVAUVGNRMU-SNVBAGLBSA-N 1 3 292.339 -0.774 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])[nH]1 ZINC001221079717 825142053 /nfs/dbraw/zinc/14/20/53/825142053.db2.gz KRFXJXRYPHNWAY-JTQLQIEISA-N 1 3 282.344 -0.126 20 0 CBADHO Cc1nccnc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001221103748 825143442 /nfs/dbraw/zinc/14/34/42/825143442.db2.gz PYKWMJDEFFUOKI-VIFPVBQESA-N 1 3 269.374 -0.580 20 0 CBADHO COCC1(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CCOCC1 ZINC001221177018 825151073 /nfs/dbraw/zinc/15/10/73/825151073.db2.gz XVPXYHNASILKDA-LBPRGKRZSA-N 1 3 297.399 -0.645 20 0 CBADHO COCC1(CNC(=O)[C@H]2C[NH2+]CC23CNC3)CCOCC1 ZINC001221177017 825151250 /nfs/dbraw/zinc/15/12/50/825151250.db2.gz XVPXYHNASILKDA-GFCCVEGCSA-N 1 3 297.399 -0.645 20 0 CBADHO CC(C)(C)N1CC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001221193672 825153138 /nfs/dbraw/zinc/15/31/38/825153138.db2.gz DUZFKTVFXMASTA-GYSYKLTISA-N 1 3 266.389 -0.193 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001221241082 825157900 /nfs/dbraw/zinc/15/79/00/825157900.db2.gz NIOATFLQSLAXKD-FPMFFAJLSA-N 1 3 266.389 -0.462 20 0 CBADHO C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001221241090 825157995 /nfs/dbraw/zinc/15/79/95/825157995.db2.gz NJWJLPNQMVSITE-WCQYABFASA-N 1 3 265.361 -0.120 20 0 CBADHO C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001221241090 825157997 /nfs/dbraw/zinc/15/79/97/825157997.db2.gz NJWJLPNQMVSITE-WCQYABFASA-N 1 3 265.361 -0.120 20 0 CBADHO CN1CCC[C@](C)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221241068 825159261 /nfs/dbraw/zinc/15/92/61/825159261.db2.gz MXVWQWCULAAJRX-RFHZTLPTSA-N 1 3 266.389 -0.191 20 0 CBADHO O=C(NC1CN(C2COC2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221246321 825161928 /nfs/dbraw/zinc/16/19/28/825161928.db2.gz XTHJSLGDTQOIHB-CYBMUJFWSA-N 1 3 294.399 -0.940 20 0 CBADHO O=C(NC1CN(C2COC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221246321 825161931 /nfs/dbraw/zinc/16/19/31/825161931.db2.gz XTHJSLGDTQOIHB-CYBMUJFWSA-N 1 3 294.399 -0.940 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221268820 825165297 /nfs/dbraw/zinc/16/52/97/825165297.db2.gz DITWGVGLPYFOPM-ZJUUUORDSA-N 1 3 256.350 -0.772 20 0 CBADHO Cn1ncc2c1cccc2CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221306689 825168593 /nfs/dbraw/zinc/16/85/93/825168593.db2.gz WYHZAEXGADJRDX-CYBMUJFWSA-N 1 3 299.378 -0.002 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319090 825170618 /nfs/dbraw/zinc/17/06/18/825170618.db2.gz MHNCLNAUHFXJEC-MRVPVSSYSA-N 1 3 257.725 -0.188 20 0 CBADHO N=C(NC(=O)[C@@H](N)CCC[NH3+])c1cnc2ccc(F)cn21 ZINC001221322799 825170869 /nfs/dbraw/zinc/17/08/69/825170869.db2.gz NJOZAPAIKBMQCM-VIFPVBQESA-N 1 3 292.318 -0.019 20 0 CBADHO Cc1cnc(NC(=O)[C@@H](N)CCCC[NH3+])c(=O)[nH]1 ZINC001221328172 825171546 /nfs/dbraw/zinc/17/15/46/825171546.db2.gz JMOWXCRKKBZBIJ-QMMMGPOBSA-N 1 3 253.306 -0.527 20 0 CBADHO O=C(NC1=CCOC1=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221333163 825172218 /nfs/dbraw/zinc/17/22/18/825172218.db2.gz VQAQLBKMKYLYAW-SECBINFHSA-N 1 3 265.313 -0.583 20 0 CBADHO O=C(NC1=CCOC1=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221333163 825172221 /nfs/dbraw/zinc/17/22/21/825172221.db2.gz VQAQLBKMKYLYAW-SECBINFHSA-N 1 3 265.313 -0.583 20 0 CBADHO COc1cnccc1CCNC(=O)[C@H](N)CCC[NH3+] ZINC001221338555 825173362 /nfs/dbraw/zinc/17/33/62/825173362.db2.gz ZLMGVQGBCXTCDC-LLVKDONJSA-N 1 3 266.345 -0.185 20 0 CBADHO COc1cnccc1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001221336482 825173986 /nfs/dbraw/zinc/17/39/86/825173986.db2.gz GCEHESJJRXYDNO-NSHDSACASA-N 1 3 298.412 -0.232 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NCCCC[NH3+] ZINC001221345452 825175308 /nfs/dbraw/zinc/17/53/08/825175308.db2.gz YHIIEUKEIJJJHH-JTQLQIEISA-N 1 3 258.366 -0.669 20 0 CBADHO COC1CC(CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221366970 825175838 /nfs/dbraw/zinc/17/58/38/825175838.db2.gz MBMDYKLZOSKDKL-RTBKNWGFSA-N 1 3 261.391 -0.453 20 0 CBADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001221356760 825176589 /nfs/dbraw/zinc/17/65/89/825176589.db2.gz DCCHRCCLBGRRHM-AGIUHOORSA-N 1 3 298.431 -0.461 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1ccno1 ZINC001221396955 825181183 /nfs/dbraw/zinc/18/11/83/825181183.db2.gz HULMUUOXLAFIFO-SFYZADRCSA-N 1 3 258.347 -0.129 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCOc1ccncc1 ZINC001221394244 825181670 /nfs/dbraw/zinc/18/16/70/825181670.db2.gz YHEGMELJZZTMOD-NSHDSACASA-N 1 3 252.318 -0.357 20 0 CBADHO N[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC[NH2+]C1 ZINC001221399573 825182522 /nfs/dbraw/zinc/18/25/22/825182522.db2.gz RFILHHQGAVDDEU-GOEBONIOSA-N 1 3 288.395 -0.102 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398348 825182797 /nfs/dbraw/zinc/18/27/97/825182797.db2.gz YFJLLYGFPBEGIX-STQMWFEESA-N 1 3 262.357 -0.507 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001221397917 825182992 /nfs/dbraw/zinc/18/29/92/825182992.db2.gz QJYBWJAFMSVACG-ILXRZTDVSA-N 1 3 289.379 -0.213 20 0 CBADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001221403762 825184418 /nfs/dbraw/zinc/18/44/18/825184418.db2.gz WXCOBWSKIBTRAO-NWDGAFQWSA-N 1 3 269.389 -0.053 20 0 CBADHO COC(=O)[C@H]1CNCCN1CC[C@H]1CCCC[NH2+]1 ZINC001222414157 825210763 /nfs/dbraw/zinc/21/07/63/825210763.db2.gz JHPQFYJUBZXVOW-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC[C@H]1CCCC[NH2+]1 ZINC001222414154 825210824 /nfs/dbraw/zinc/21/08/24/825210824.db2.gz JHPQFYJUBZXVOW-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C([C@@H]1COCCN1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492392 825213035 /nfs/dbraw/zinc/21/30/35/825213035.db2.gz WLWJDVAMKFJVTJ-AGIUHOORSA-N 1 3 254.378 -0.999 20 0 CBADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CC1 ZINC001226801179 825289753 /nfs/dbraw/zinc/28/97/53/825289753.db2.gz UJCPEIQLWXLUDF-YRGRVCCFSA-N 1 3 296.415 -0.171 20 0 CBADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138233 825343712 /nfs/dbraw/zinc/34/37/12/825343712.db2.gz LHNVOHVLVNKIMY-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138233 825343720 /nfs/dbraw/zinc/34/37/20/825343720.db2.gz LHNVOHVLVNKIMY-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO CN1C[C@@H]2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231702705 825413217 /nfs/dbraw/zinc/41/32/17/825413217.db2.gz DPGVIXYDNIXTCZ-AOOOYVTPSA-N 1 3 250.302 -0.119 20 0 CBADHO CN1C[C@@H]2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231702705 825413220 /nfs/dbraw/zinc/41/32/20/825413220.db2.gz DPGVIXYDNIXTCZ-AOOOYVTPSA-N 1 3 250.302 -0.119 20 0 CBADHO c1cc2n(c1CN1CCNC[C@]13CC[NH2+]C3)CCNC2 ZINC001234990218 825479834 /nfs/dbraw/zinc/47/98/34/825479834.db2.gz UZYXOZNKLMNNGC-OAHLLOKOSA-N 1 3 275.400 -0.271 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc2c(s1)CNCC2 ZINC001236200107 825524030 /nfs/dbraw/zinc/52/40/30/825524030.db2.gz HZYIUSSSMGIXCT-SCZZXKLOSA-N 1 3 296.396 -0.137 20 0 CBADHO COC(=O)[C@@H]1C[N@H+](CC(C)(C)N2CCOCC2)C[C@@H]1N ZINC001236344560 825528415 /nfs/dbraw/zinc/52/84/15/825528415.db2.gz RLPORHOMIBWCDF-NEPJUHHUSA-N 1 3 285.388 -0.471 20 0 CBADHO COC(=O)[C@@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@@H]1N ZINC001236344560 825528418 /nfs/dbraw/zinc/52/84/18/825528418.db2.gz RLPORHOMIBWCDF-NEPJUHHUSA-N 1 3 285.388 -0.471 20 0 CBADHO COC(=O)[C@@H]1CN(Cc2nc3c(s2)CNCC3)C[C@@H]1[NH3+] ZINC001236349301 825529642 /nfs/dbraw/zinc/52/96/42/825529642.db2.gz GKHXJIMOUQRZNG-BDAKNGLRSA-N 1 3 296.396 -0.279 20 0 CBADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CC1 ZINC001238242731 825550540 /nfs/dbraw/zinc/55/05/40/825550540.db2.gz QGPJPBGVUSFZLO-JTQLQIEISA-N 1 3 273.402 -0.058 20 0 CBADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CC1 ZINC001238242731 825550546 /nfs/dbraw/zinc/55/05/46/825550546.db2.gz QGPJPBGVUSFZLO-JTQLQIEISA-N 1 3 273.402 -0.058 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001238255519 825551054 /nfs/dbraw/zinc/55/10/54/825551054.db2.gz HJDZTYFXYGFCBB-JTQLQIEISA-N 1 3 277.390 -0.834 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238342090 825552050 /nfs/dbraw/zinc/55/20/50/825552050.db2.gz GDNBJIQEBGKZLI-WDEREUQCSA-N 1 3 277.390 -0.977 20 0 CBADHO NCCS(=O)(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001238485094 825554421 /nfs/dbraw/zinc/55/44/21/825554421.db2.gz KPTGMIHXXZVCCS-GHMZBOCLSA-N 1 3 261.391 -0.213 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCNC[C@@H]1F ZINC001238500721 825554996 /nfs/dbraw/zinc/55/49/96/825554996.db2.gz QCUHFZMRKFWLGI-NEPJUHHUSA-N 1 3 293.408 -0.147 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001238559168 825555769 /nfs/dbraw/zinc/55/57/69/825555769.db2.gz UFGMTUWCJRIPLN-SNVBAGLBSA-N 1 3 277.390 -0.977 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001238559167 825555719 /nfs/dbraw/zinc/55/57/19/825555719.db2.gz UFGMTUWCJRIPLN-JTQLQIEISA-N 1 3 277.390 -0.977 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NS(=O)(=O)CC[NH3+] ZINC001238566832 825556166 /nfs/dbraw/zinc/55/61/66/825556166.db2.gz XHTXMJKIHFSIRC-LLVKDONJSA-N 1 3 263.407 -0.015 20 0 CBADHO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001238626059 825557772 /nfs/dbraw/zinc/55/77/72/825557772.db2.gz QOBIYIKWBQGMNW-JQWIXIFHSA-N 1 3 291.417 -0.718 20 0 CBADHO O=S(=O)(NC[C@@H]1CCNC[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238896277 825570150 /nfs/dbraw/zinc/57/01/50/825570150.db2.gz VXPQNLRGWOGWAO-GUBZILKMSA-N 1 3 265.354 -0.785 20 0 CBADHO C[C@H]1CNCCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238968013 825578845 /nfs/dbraw/zinc/57/88/45/825578845.db2.gz VYICTORGLGOSFF-NSHDSACASA-N 1 3 275.418 0.000 20 0 CBADHO C[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CCN1 ZINC001238987796 825580321 /nfs/dbraw/zinc/58/03/21/825580321.db2.gz GYYUEMFFRSINJQ-NSHDSACASA-N 1 3 275.418 0.000 20 0 CBADHO NCCS(=O)(=O)N1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001239014209 825582053 /nfs/dbraw/zinc/58/20/53/825582053.db2.gz FAZFHAXCAHTJQU-CYBMUJFWSA-N 1 3 295.408 -0.036 20 0 CBADHO NCCS(=O)(=O)N1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001239073427 825585102 /nfs/dbraw/zinc/58/51/02/825585102.db2.gz MZQLCLQMRSACHL-NXEZZACHSA-N 1 3 265.354 -0.702 20 0 CBADHO CCC[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]2C1 ZINC001239133720 825593034 /nfs/dbraw/zinc/59/30/34/825593034.db2.gz SVVUNTOTWFKUPM-PHIMTYICSA-N 1 3 261.391 -0.452 20 0 CBADHO CCC[N@H+]1C[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]2C1 ZINC001239133720 825593039 /nfs/dbraw/zinc/59/30/39/825593039.db2.gz SVVUNTOTWFKUPM-PHIMTYICSA-N 1 3 261.391 -0.452 20 0 CBADHO CCOCCN(C1CC[NH2+]CC1)S(=O)(=O)CCN ZINC001239147031 825594683 /nfs/dbraw/zinc/59/46/83/825594683.db2.gz LAVCPPWMIIBVNA-UHFFFAOYSA-N 1 3 279.406 -0.635 20 0 CBADHO NCCS(=O)(=O)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001239163152 825595409 /nfs/dbraw/zinc/59/54/09/825595409.db2.gz QGACZRDDHNTRDC-JTQLQIEISA-N 1 3 261.391 -0.261 20 0 CBADHO [NH3+][C@@H]1CN(C(=S)NCCN2CCCCC2)C[C@H]1O ZINC001239405268 825602797 /nfs/dbraw/zinc/60/27/97/825602797.db2.gz IVFMWEOIJCPZCJ-GHMZBOCLSA-N 1 3 272.418 -0.649 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)CN1CCOCC1 ZINC001245981499 825615839 /nfs/dbraw/zinc/61/58/39/825615839.db2.gz HNFYVOHLFTVLRU-MELADBBJSA-N 1 3 271.405 -0.343 20 0 CBADHO CCCOC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245978094 825616403 /nfs/dbraw/zinc/61/64/03/825616403.db2.gz ZBYVHWHTCNXWMY-GRYCIOLGSA-N 1 3 264.341 -0.574 20 0 CBADHO CC(C)(C)OC(=O)[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245973828 825616458 /nfs/dbraw/zinc/61/64/58/825616458.db2.gz KYPOYBDQXUIFRF-GBIKHYSHSA-N 1 3 292.351 -0.659 20 0 CBADHO O[C@H](CNC[C@@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983056 825617798 /nfs/dbraw/zinc/61/77/98/825617798.db2.gz RQCJGRMTJDBQBQ-CHWSQXEVSA-N 1 3 257.378 -0.731 20 0 CBADHO CC(C)(C)OC(=O)[C@@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246023828 825624733 /nfs/dbraw/zinc/62/47/33/825624733.db2.gz BNFOTSHBMQLMQZ-LBPRGKRZSA-N 1 3 299.415 -0.284 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246146605 825641613 /nfs/dbraw/zinc/64/16/13/825641613.db2.gz GVBJPHZTGCAYRH-BJJPWKGXSA-N 1 3 297.399 -0.506 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]C2)CN1 ZINC001246197989 825649247 /nfs/dbraw/zinc/64/92/47/825649247.db2.gz NBCKNYBSHRMWTO-TUAOUCFPSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1CCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246247122 825655983 /nfs/dbraw/zinc/65/59/83/825655983.db2.gz WOYZUGRNFMNWDO-MNOVXSKESA-N 1 3 253.346 -0.282 20 0 CBADHO COCCn1cnc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246384910 825670281 /nfs/dbraw/zinc/67/02/81/825670281.db2.gz MPWBVANULGWBES-GFCCVEGCSA-N 1 3 279.388 -0.287 20 0 CBADHO CCOC(=O)N1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246416828 825672682 /nfs/dbraw/zinc/67/26/82/825672682.db2.gz MOWYEZWMOYPLNZ-MNOVXSKESA-N 1 3 286.376 -0.210 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246420737 825672986 /nfs/dbraw/zinc/67/29/86/825672986.db2.gz ZWLWRMZUPMQYJA-WOPDTQHZSA-N 1 3 282.388 -0.288 20 0 CBADHO [NH3+]CCCC[C@H](N[C@@H]1CNC(=O)C1)C(=O)N1CCCC1 ZINC001246518610 825679446 /nfs/dbraw/zinc/67/94/46/825679446.db2.gz IHFXVVVYBMRZFV-RYUDHWBXSA-N 1 3 282.388 -0.416 20 0 CBADHO CCOC(=O)CN1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246579326 825688840 /nfs/dbraw/zinc/68/88/40/825688840.db2.gz IINSDDATVPFERH-AAEUAGOBSA-N 1 3 285.388 -0.735 20 0 CBADHO CCOC(=O)CN1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246579326 825688844 /nfs/dbraw/zinc/68/88/44/825688844.db2.gz IINSDDATVPFERH-AAEUAGOBSA-N 1 3 285.388 -0.735 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579330 825689184 /nfs/dbraw/zinc/68/91/84/825689184.db2.gz ILHKFOFJUJUYTE-IRCOFANPSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@H]1O ZINC001246579330 825689187 /nfs/dbraw/zinc/68/91/87/825689187.db2.gz ILHKFOFJUJUYTE-IRCOFANPSA-N 1 3 253.346 -0.609 20 0 CBADHO COC(=O)[C@@H]1CCC[C@@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578117 825689295 /nfs/dbraw/zinc/68/92/95/825689295.db2.gz FXGPQPKVVPCEOM-WRWGMCAJSA-N 1 3 256.346 -0.030 20 0 CBADHO COC(=O)[C@@H]1CCC[C@@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579614 825689364 /nfs/dbraw/zinc/68/93/64/825689364.db2.gz FXGPQPKVVPCEOM-KXNHARMFSA-N 1 3 256.346 -0.030 20 0 CBADHO NC[C@H]1C[N@@H+](C2CCC3(CC2)OCCO3)C[C@@H]1O ZINC001246578095 825689379 /nfs/dbraw/zinc/68/93/79/825689379.db2.gz FVXPPBXWSCDZEA-JQWIXIFHSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@H+](C2CCC3(CC2)OCCO3)C[C@@H]1O ZINC001246578095 825689381 /nfs/dbraw/zinc/68/93/81/825689381.db2.gz FVXPPBXWSCDZEA-JQWIXIFHSA-N 1 3 256.346 -0.077 20 0 CBADHO COC(=O)[C@H]1CCC[C@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246578111 825689419 /nfs/dbraw/zinc/68/94/19/825689419.db2.gz FXGPQPKVVPCEOM-FIQHERPVSA-N 1 3 256.346 -0.030 20 0 CBADHO [NH3+]C[C@H]1CN([C@H]2CCN(C3CC3)C(=O)C2)C[C@H]1O ZINC001246578009 825689556 /nfs/dbraw/zinc/68/95/56/825689556.db2.gz DJGUMKBAACKLMI-ZMLRMANQSA-N 1 3 253.346 -0.609 20 0 CBADHO CCOC(=O)N1CCC(N2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578697 825689589 /nfs/dbraw/zinc/68/95/89/825689589.db2.gz HNDNMDKFXKBSBW-JQWIXIFHSA-N 1 3 271.361 -0.141 20 0 CBADHO CCOC(=O)N1CCC(N2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246582536 825691414 /nfs/dbraw/zinc/69/14/14/825691414.db2.gz HNDNMDKFXKBSBW-CMPLNLGQSA-N 1 3 271.361 -0.141 20 0 CBADHO CCOC(=O)[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246590793 825691835 /nfs/dbraw/zinc/69/18/35/825691835.db2.gz AGMRMPVFEJKYDV-NEPJUHHUSA-N 1 3 295.383 -0.466 20 0 CBADHO C1C[NH2+]C[C@H](N2CCOC[C@]3(CNCCO3)C2)C1 ZINC001246603045 825694437 /nfs/dbraw/zinc/69/44/37/825694437.db2.gz LYMGSETVTBUSTE-OLZOCXBDSA-N 1 3 255.362 -0.571 20 0 CBADHO COC(=O)[C@H]1CNCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246620495 825696722 /nfs/dbraw/zinc/69/67/22/825696722.db2.gz JVVDFIOFNRCNIX-AYLPWXGPSA-N 1 3 253.346 -0.284 20 0 CBADHO C1C[C@@]2(C[NH2+]1)CNCCN2C1C[C@@H]2COC[C@H](C1)N2 ZINC001246624398 825696932 /nfs/dbraw/zinc/69/69/32/825696932.db2.gz MZFHZKMQFZJRHK-QNMSZWNNSA-N 1 3 266.389 -0.857 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246623563 825697266 /nfs/dbraw/zinc/69/72/66/825697266.db2.gz AKGZSALFGSGWLA-RNJOBUHISA-N 1 3 267.373 -0.179 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC3(C2)CC[NH2+]CC3)CN1 ZINC001246636128 825699499 /nfs/dbraw/zinc/69/94/99/825699499.db2.gz CRRIUCSPQUOBEG-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CN1 ZINC001246658567 825703424 /nfs/dbraw/zinc/70/34/24/825703424.db2.gz KZSSXSAOIDUTRH-HTFCKZLJSA-N 1 3 253.346 -0.299 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@@H](C3C[NH2+]C3)C2)CN1 ZINC001246680249 825706364 /nfs/dbraw/zinc/70/63/64/825706364.db2.gz SQLGFHXCZYPIIZ-JLLWLGSASA-N 1 3 253.346 -0.569 20 0 CBADHO CCOC(=O)C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799900 825712981 /nfs/dbraw/zinc/71/29/81/825712981.db2.gz UXIUNLRWLHKKQT-LLVKDONJSA-N 1 3 253.346 -0.425 20 0 CBADHO CC1(C)CN(C2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CCO1 ZINC001246844973 825720534 /nfs/dbraw/zinc/72/05/34/825720534.db2.gz JVONSRBQNFBIKH-CYBMUJFWSA-N 1 3 294.443 -0.125 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2C[C@@H]3CC[NH2+]C[C@H]3C2)CN1 ZINC001246849101 825720581 /nfs/dbraw/zinc/72/05/81/825720581.db2.gz YAXVGWUJLZPNTB-CYDGBPFRSA-N 1 3 267.373 -0.179 20 0 CBADHO CC[C@H]1C[C@@H](N2CCNC[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856616 825722018 /nfs/dbraw/zinc/72/20/18/825722018.db2.gz DSHZUVAGDNRNCY-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C1CCC2(C[NH2+]C2)CC1 ZINC001246856453 825722504 /nfs/dbraw/zinc/72/25/04/825722504.db2.gz BJKBLHUBIWOQOK-LBPRGKRZSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[C@@H]1C[C@H](N2CCNC[C@H]2C(=O)OC)CC[NH2+]1 ZINC001246856618 825722561 /nfs/dbraw/zinc/72/25/61/825722561.db2.gz DSHZUVAGDNRNCY-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246856513 825722788 /nfs/dbraw/zinc/72/27/88/825722788.db2.gz BPAPQXAHRSYTNR-MNOVXSKESA-N 1 3 253.346 -0.425 20 0 CBADHO c1cn2c(n1)CCN([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863323 825723861 /nfs/dbraw/zinc/72/38/61/825723861.db2.gz WOEYUCIGGLLBBI-LBPRGKRZSA-N 1 3 261.373 -0.165 20 0 CBADHO CC(=O)N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246887181 825727817 /nfs/dbraw/zinc/72/78/17/825727817.db2.gz JQYXWCFVVGUOAE-YPMHNXCESA-N 1 3 266.389 -0.367 20 0 CBADHO C[C@@H]1CN(C2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C[C@@H](C)O1 ZINC001246986004 825738630 /nfs/dbraw/zinc/73/86/30/825738630.db2.gz DNTHAUJZNMWDSN-MGPQQGTHSA-N 1 3 294.443 -0.126 20 0 CBADHO FC(F)(F)[C@@H]1CNCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985729 825739850 /nfs/dbraw/zinc/73/98/50/825739850.db2.gz BVESJHVBAGNXOC-UWVGGRQHSA-N 1 3 278.322 -0.084 20 0 CBADHO CN(C)C[C@@]12C[C@@H]1C[N@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251021407 825764931 /nfs/dbraw/zinc/76/49/31/825764931.db2.gz KMNJRASXHPJFRW-QLFBSQMISA-N 1 3 283.416 -0.437 20 0 CBADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251021407 825764932 /nfs/dbraw/zinc/76/49/32/825764932.db2.gz KMNJRASXHPJFRW-QLFBSQMISA-N 1 3 283.416 -0.437 20 0 CBADHO COC(=O)[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252440441 825859879 /nfs/dbraw/zinc/85/98/79/825859879.db2.gz ORCSDLGLJSFGEP-GFCCVEGCSA-N 1 3 273.377 -0.864 20 0 CBADHO COC(=O)[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252442815 825860537 /nfs/dbraw/zinc/86/05/37/825860537.db2.gz JPVSJUZAAWTYSV-AVGNSLFASA-N 1 3 286.372 -0.247 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CNCCN1CCN(C)CC1 ZINC001253201868 825903789 /nfs/dbraw/zinc/90/37/89/825903789.db2.gz AJLHSQFWJKHFPJ-AWEZNQCLSA-N 1 3 272.437 -0.474 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC001253216212 825907254 /nfs/dbraw/zinc/90/72/54/825907254.db2.gz KRXQNIDZFIIILI-NWDGAFQWSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001253210839 825907562 /nfs/dbraw/zinc/90/75/62/825907562.db2.gz PDNVBJYVVOOMIG-OLZOCXBDSA-N 1 3 257.378 -0.101 20 0 CBADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001253405024 825913615 /nfs/dbraw/zinc/91/36/15/825913615.db2.gz NMWRSVSHTZVTCJ-NSHDSACASA-N 1 3 290.429 -0.098 20 0 CBADHO CN1C[C@H](CNC[C@H](O)C[NH2+]C(C)(C)C)CC1=O ZINC001253405240 825914085 /nfs/dbraw/zinc/91/40/85/825914085.db2.gz SMDGAZSAYNWKBC-QWRGUYRKSA-N 1 3 257.378 -0.197 20 0 CBADHO CN1C[C@H](C[NH2+]C[C@H](O)CNC(C)(C)C)CC1=O ZINC001253405240 825914087 /nfs/dbraw/zinc/91/40/87/825914087.db2.gz SMDGAZSAYNWKBC-QWRGUYRKSA-N 1 3 257.378 -0.197 20 0 CBADHO OCC(CO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254047770 825938871 /nfs/dbraw/zinc/93/88/71/825938871.db2.gz VXVMVWPOOMWIBB-UHFFFAOYSA-N 1 3 294.395 -0.044 20 0 CBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CN[C@H]2CCS(=O)(=O)C2)O1 ZINC001254320240 825950708 /nfs/dbraw/zinc/95/07/08/825950708.db2.gz NVVFGRLCOWKWBI-QCNOEVLYSA-N 1 3 292.401 -0.512 20 0 CBADHO C[N@H+](C[C@H](O)CO)C1CCC(N2CCOCC2)CC1 ZINC001256691017 826029439 /nfs/dbraw/zinc/02/94/39/826029439.db2.gz LUIJWKGXLNCISH-RUXDESIVSA-N 1 3 272.389 -0.085 20 0 CBADHO C[N@@H+](C[C@H](O)CO)C1CCC(N2CCOCC2)CC1 ZINC001256691017 826029448 /nfs/dbraw/zinc/02/94/48/826029448.db2.gz LUIJWKGXLNCISH-RUXDESIVSA-N 1 3 272.389 -0.085 20 0 CBADHO N[C@@H]1COC[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679099 826030220 /nfs/dbraw/zinc/03/02/20/826030220.db2.gz CNMIQMDJJFAOKC-NWINJMCUSA-N 1 3 269.389 -0.055 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC001261379813 826509377 /nfs/dbraw/zinc/50/93/77/826509377.db2.gz NBPKZLZCZGWUOO-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261515618 826530890 /nfs/dbraw/zinc/53/08/90/826530890.db2.gz NTTPXWFWIAVBON-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO CNC(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261515620 826531126 /nfs/dbraw/zinc/53/11/26/826531126.db2.gz NTTPXWFWIAVBON-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001261631956 826548196 /nfs/dbraw/zinc/54/81/96/826548196.db2.gz KPDQLFBWHIQBRF-SSDOTTSWSA-N 1 3 268.321 -0.965 20 0 CBADHO C[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001261661569 826557532 /nfs/dbraw/zinc/55/75/32/826557532.db2.gz VKZKILUZZBEATA-UHFFFAOYSA-N 1 3 251.334 -0.175 20 0 CBADHO C[NH2+]C[C@@H](C)CNS(=O)(=O)CCCN(C)C ZINC001261853849 826599048 /nfs/dbraw/zinc/59/90/48/826599048.db2.gz UCPIUEZGNFBWFL-SNVBAGLBSA-N 1 3 251.396 -0.287 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CC12CC(C1)C[NH2+]2 ZINC001261903757 826606215 /nfs/dbraw/zinc/60/62/15/826606215.db2.gz JRZPADFVMQZQMZ-QWKFWESOSA-N 1 3 253.346 -0.425 20 0 CBADHO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CNC2)C1 ZINC001262196154 826658081 /nfs/dbraw/zinc/65/80/81/826658081.db2.gz ZOHLMLFKGRUKJY-JTQLQIEISA-N 1 3 261.391 -0.391 20 0 CBADHO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CNC2)C1 ZINC001262196154 826658088 /nfs/dbraw/zinc/65/80/88/826658088.db2.gz ZOHLMLFKGRUKJY-JTQLQIEISA-N 1 3 261.391 -0.391 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001262583875 826712436 /nfs/dbraw/zinc/71/24/36/826712436.db2.gz LBCVVZJRHUIZOQ-KBPBESRZSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001262583878 826712730 /nfs/dbraw/zinc/71/27/30/826712730.db2.gz LBCVVZJRHUIZOQ-ZIAGYGMSSA-N 1 3 296.415 -0.021 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC001262586913 826713384 /nfs/dbraw/zinc/71/33/84/826713384.db2.gz OIWGMMRIPPMYCC-VHSXEESVSA-N 1 3 256.350 -0.728 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001263096555 826736573 /nfs/dbraw/zinc/73/65/73/826736573.db2.gz VMKFIKIPELDEFE-NXEZZACHSA-N 1 3 257.334 -0.665 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001263096555 826736576 /nfs/dbraw/zinc/73/65/76/826736576.db2.gz VMKFIKIPELDEFE-NXEZZACHSA-N 1 3 257.334 -0.665 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263103251 826738576 /nfs/dbraw/zinc/73/85/76/826738576.db2.gz UELMWRLHENTIAG-DZGCQCFKSA-N 1 3 298.431 -0.757 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001263107801 826739214 /nfs/dbraw/zinc/73/92/14/826739214.db2.gz GKFOYIGVIZBIHP-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CCC2(C[NH2+]C2)CC1 ZINC001263150778 826743623 /nfs/dbraw/zinc/74/36/23/826743623.db2.gz KSLRWZTWBXHYHG-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO CC[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC[NH2+]1 ZINC001263155775 826745028 /nfs/dbraw/zinc/74/50/28/826745028.db2.gz FPAZNKYUMWIORF-GWCFXTLKSA-N 1 3 253.346 -0.234 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263156024 826745172 /nfs/dbraw/zinc/74/51/72/826745172.db2.gz LCBFTPXZYACCNI-CHWFTXMASA-N 1 3 251.330 -0.911 20 0 CBADHO C[C@](N)(C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001263211221 826754364 /nfs/dbraw/zinc/75/43/64/826754364.db2.gz JISBXRVGKKUAKF-OAHLLOKOSA-N 1 3 276.384 -0.118 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCOCCO ZINC001264172798 826800253 /nfs/dbraw/zinc/80/02/53/826800253.db2.gz QURJBCWUFJBKOU-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCOCCO ZINC001264172798 826800267 /nfs/dbraw/zinc/80/02/67/826800267.db2.gz QURJBCWUFJBKOU-RDBSUJKOSA-N 1 3 299.415 -0.474 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001265573188 826904834 /nfs/dbraw/zinc/90/48/34/826904834.db2.gz XXDSAQKFOMVPLF-SDDRHHMPSA-N 1 3 257.378 -0.056 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CCC1 ZINC001265910670 826937317 /nfs/dbraw/zinc/93/73/17/826937317.db2.gz JLICUTOCBWLANK-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@H](O)C[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001266326678 826983927 /nfs/dbraw/zinc/98/39/27/826983927.db2.gz HGJURABSTFNHMI-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](O)C[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001266326678 826983929 /nfs/dbraw/zinc/98/39/29/826983929.db2.gz HGJURABSTFNHMI-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001266640643 827038130 /nfs/dbraw/zinc/03/81/30/827038130.db2.gz XXDSAQKFOMVPLF-IJLUTSLNSA-N 1 3 257.378 -0.056 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1)N(C)C ZINC001266622618 827033528 /nfs/dbraw/zinc/03/35/28/827033528.db2.gz KPYCLZFOPBBNGN-SRVKXCTJSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001266712954 827056189 /nfs/dbraw/zinc/05/61/89/827056189.db2.gz KLZKVHBPTADVQP-AEJSXWLSSA-N 1 3 256.350 -0.951 20 0 CBADHO COC[C@H](O)C[NH2+]CCN(C)C(=O)Cc1c[nH]cn1 ZINC001266846962 827075740 /nfs/dbraw/zinc/07/57/40/827075740.db2.gz OFMLXKMEWXPHKU-LLVKDONJSA-N 1 3 270.333 -0.993 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001266971442 827100263 /nfs/dbraw/zinc/10/02/63/827100263.db2.gz MLZUZRPZSPGRKI-UWVGGRQHSA-N 1 3 258.366 -0.833 20 0 CBADHO CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001267391323 827164392 /nfs/dbraw/zinc/16/43/92/827164392.db2.gz GMZHNLVFFREBDH-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469052 827175515 /nfs/dbraw/zinc/17/55/15/827175515.db2.gz GMWIWRMHXGVYSW-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469052 827175519 /nfs/dbraw/zinc/17/55/19/827175519.db2.gz GMWIWRMHXGVYSW-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267689599 827199519 /nfs/dbraw/zinc/19/95/19/827199519.db2.gz MZLMHYDGGUDWIK-NSHDSACASA-N 1 3 269.389 -0.243 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001268588413 827372950 /nfs/dbraw/zinc/37/29/50/827372950.db2.gz RILBCEDWKMMFFN-PGLGOXFNSA-N 1 3 296.371 -0.995 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001268860182 827432992 /nfs/dbraw/zinc/43/29/92/827432992.db2.gz BJIGSCDKXATSLP-GFCCVEGCSA-N 1 3 293.371 -0.331 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCO ZINC001270418599 827564979 /nfs/dbraw/zinc/56/49/79/827564979.db2.gz BFCLKHAWEWECLU-LLVKDONJSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001271090649 827621355 /nfs/dbraw/zinc/62/13/55/827621355.db2.gz BIZXGRAVKCNKDL-ZJUUUORDSA-N 1 3 258.366 -0.752 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)CCC1 ZINC001272458461 827803267 /nfs/dbraw/zinc/80/32/67/827803267.db2.gz YXXKSGUQPFIYJS-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO COCCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273506289 827905604 /nfs/dbraw/zinc/90/56/04/827905604.db2.gz NGRFRMHEQNRWIJ-CQSZACIVSA-N 1 3 285.388 -0.502 20 0 CBADHO CN(C)CCN1CC2(CN(CCC[NH+](C)C)C2)OCC1=O ZINC001273711791 827921015 /nfs/dbraw/zinc/92/10/15/827921015.db2.gz IWIIUMXRVQUIBB-UHFFFAOYSA-N 1 3 298.431 -0.587 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001275039304 828050409 /nfs/dbraw/zinc/05/04/09/828050409.db2.gz RCHOBWICPSSDNM-ZJUUUORDSA-N 1 3 258.366 -0.705 20 0 CBADHO CN(C)C(=O)CN1C[C@H]2C(=O)NC3(CC[NH+](C)CC3)[C@@H]2C1 ZINC001275045876 828052646 /nfs/dbraw/zinc/05/26/46/828052646.db2.gz TVZHXHIFJBKLET-VXGBXAGGSA-N 1 3 294.399 -0.783 20 0 CBADHO C[NH+](C)CCN1CCC2(CN(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001275187682 828065074 /nfs/dbraw/zinc/06/50/74/828065074.db2.gz KOUIFBKMFIKGSP-ZDUSSCGKSA-N 1 3 280.416 -0.166 20 0 CBADHO Cc1nc(CNC[C@H](C)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001275291807 828075766 /nfs/dbraw/zinc/07/57/66/828075766.db2.gz OHOWJBKRCYHBJX-VIFPVBQESA-N 1 3 268.365 -0.341 20 0 CBADHO C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)C(N)=O ZINC001276245641 828139322 /nfs/dbraw/zinc/13/93/22/828139322.db2.gz QSEDEEYKNRPVMI-SECBINFHSA-N 1 3 267.333 -0.736 20 0 CBADHO CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001276245605 828139497 /nfs/dbraw/zinc/13/94/97/828139497.db2.gz PKXSPRJHORDVSK-NSHDSACASA-N 1 3 279.344 -0.721 20 0 CBADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001276339646 828141909 /nfs/dbraw/zinc/14/19/09/828141909.db2.gz IQVISLRLUMFSBL-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277960076 828221972 /nfs/dbraw/zinc/22/19/72/828221972.db2.gz YXRMUNKYJCAQOP-WOPDTQHZSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277960076 828221975 /nfs/dbraw/zinc/22/19/75/828221975.db2.gz YXRMUNKYJCAQOP-WOPDTQHZSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H](O)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277959942 828222745 /nfs/dbraw/zinc/22/27/45/828222745.db2.gz DETKVXCQMXFOPY-UPJWGTAASA-N 1 3 257.378 -0.686 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001277980025 828224943 /nfs/dbraw/zinc/22/49/43/828224943.db2.gz CQXJYFZLLZVBIW-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[NH+](C)CCN1CC2(C1)CCN(CC(N)=O)CC2 ZINC001277981524 828226990 /nfs/dbraw/zinc/22/69/90/828226990.db2.gz KUPFKDFHPVRNFM-UHFFFAOYSA-N 1 3 254.378 -0.569 20 0 CBADHO CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001278077309 828242806 /nfs/dbraw/zinc/24/28/06/828242806.db2.gz IFWIYAYRYQOYGZ-NEPJUHHUSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001278093809 828245586 /nfs/dbraw/zinc/24/55/86/828245586.db2.gz RGCFLMPKJSEDIB-LLVKDONJSA-N 1 3 257.378 -0.054 20 0 CBADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCCO)C1 ZINC001279295198 828319391 /nfs/dbraw/zinc/31/93/91/828319391.db2.gz QXSXYLJUSDQHQI-UHFFFAOYSA-N 1 3 266.345 -0.086 20 0 CBADHO CN1CCN(C2CCN(C(=O)C(C)(C)[NH3+])CC2)CC1 ZINC001349587175 890841386 /nfs/dbraw/zinc/84/13/86/890841386.db2.gz YSJPFYWLUIVLCX-UHFFFAOYSA-N 1 3 268.405 -0.038 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001187321489 884718524 /nfs/dbraw/zinc/71/85/24/884718524.db2.gz AKVYMWICLFDMPP-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001187321520 884718597 /nfs/dbraw/zinc/71/85/97/884718597.db2.gz BXRUCPKRPVEOJS-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CC[C@H]1CC[NH2+]C1 ZINC001327087982 885251036 /nfs/dbraw/zinc/25/10/36/885251036.db2.gz WAMSUYUGZPRFAQ-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333294427 887586071 /nfs/dbraw/zinc/58/60/71/887586071.db2.gz WKUVTLIHZWXDLQ-GXTWGEPZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC001333627006 887722121 /nfs/dbraw/zinc/72/21/21/887722121.db2.gz UYTZKKYQGDAYKH-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333625133 887723943 /nfs/dbraw/zinc/72/39/43/887723943.db2.gz IUFREGLRPGZOCN-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)[C@H]1CN(C(=O)C2(C[NH3+])CC(O)C2)CCN1 ZINC001340917316 889514014 /nfs/dbraw/zinc/51/40/14/889514014.db2.gz ZSEUUJGBAGJRAE-QWKFWESOSA-N 1 3 255.362 -0.457 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001341626224 889635437 /nfs/dbraw/zinc/63/54/37/889635437.db2.gz DQTHPEKKQNQTBJ-KQXIARHKSA-N 1 3 269.389 -0.056 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001443914121 912301403 /nfs/dbraw/zinc/30/14/03/912301403.db2.gz HCRRQXQXBQOGFD-GMTAPVOTSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001443914121 912301416 /nfs/dbraw/zinc/30/14/16/912301416.db2.gz HCRRQXQXBQOGFD-GMTAPVOTSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C ZINC001444035963 912333754 /nfs/dbraw/zinc/33/37/54/912333754.db2.gz NOYMRKWDMRVJAL-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001444429448 912448235 /nfs/dbraw/zinc/44/82/35/912448235.db2.gz CKUOPZFWTWDKNA-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344373386 890020121 /nfs/dbraw/zinc/02/01/21/890020121.db2.gz FHNMCXTXBNSGOM-VXGBXAGGSA-N 1 3 255.362 -0.313 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444601294 912477915 /nfs/dbraw/zinc/47/79/15/912477915.db2.gz XENMRCMUSCPATB-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444601294 912477932 /nfs/dbraw/zinc/47/79/32/912477932.db2.gz XENMRCMUSCPATB-HBNTYKKESA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CN(C)C1CCC1 ZINC001444638301 912485249 /nfs/dbraw/zinc/48/52/49/912485249.db2.gz RVVVCHSKLNQHQB-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444675176 912488159 /nfs/dbraw/zinc/48/81/59/912488159.db2.gz WZCVODXNQTWFSP-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001444681026 912490460 /nfs/dbraw/zinc/49/04/60/912490460.db2.gz UNBPQDPPDPJEOS-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH2+][C@H]1CCN(C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001345944731 890184915 /nfs/dbraw/zinc/18/49/15/890184915.db2.gz VDEHKEYTXSFFJP-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN(C)C(C)C ZINC001445335950 912637191 /nfs/dbraw/zinc/63/71/91/912637191.db2.gz WBCMIYOFPWRYCQ-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445332746 912638485 /nfs/dbraw/zinc/63/84/85/912638485.db2.gz YQINNISRVVIZIM-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445332746 912638496 /nfs/dbraw/zinc/63/84/96/912638496.db2.gz YQINNISRVVIZIM-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001445655348 912729088 /nfs/dbraw/zinc/72/90/88/912729088.db2.gz KABDDUUQZLDKBH-WDEREUQCSA-N 1 3 272.393 -0.315 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426162 884676792 /nfs/dbraw/zinc/67/67/92/884676792.db2.gz DXWKXDDIHCCRHY-NSHDSACASA-N 1 3 261.366 -0.960 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001188158543 884721879 /nfs/dbraw/zinc/72/18/79/884721879.db2.gz SNDLVJQGMIDWND-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1CCCC[NH2+]1 ZINC001211354848 884771658 /nfs/dbraw/zinc/77/16/58/884771658.db2.gz RJURMPWDFMKNDQ-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001446420911 912880872 /nfs/dbraw/zinc/88/08/72/912880872.db2.gz PVVZWGVEIPNCES-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001326316962 884984291 /nfs/dbraw/zinc/98/42/91/884984291.db2.gz JKUPMWHOMNBXTN-WCBMZHEXSA-N 1 3 252.322 -0.753 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446458696 912888778 /nfs/dbraw/zinc/88/87/78/912888778.db2.gz GDYDTDDHLJZBMF-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO [NH3+]CCOCCN1CCC(N2CCNC2=O)CC1 ZINC001326596545 885081896 /nfs/dbraw/zinc/08/18/96/885081896.db2.gz WMPUJQCLRKOWOH-UHFFFAOYSA-N 1 3 256.350 -0.549 20 0 CBADHO COCCN1CCC(NC(=O)COCC[NH3+])CC1 ZINC001326784431 885144610 /nfs/dbraw/zinc/14/46/10/885144610.db2.gz ZXRJBSGXFNOGCT-UHFFFAOYSA-N 1 3 259.350 -0.811 20 0 CBADHO N[C@H](CC(F)F)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001326924171 885194284 /nfs/dbraw/zinc/19/42/84/885194284.db2.gz UKYRTXWNADNZPD-HTQZYQBOSA-N 1 3 251.277 -0.536 20 0 CBADHO COCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001326990188 885213236 /nfs/dbraw/zinc/21/32/36/885213236.db2.gz YMJNGPMHKUCFSH-ZDUSSCGKSA-N 1 3 299.415 -0.066 20 0 CBADHO COCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001327033806 885234190 /nfs/dbraw/zinc/23/41/90/885234190.db2.gz HWIQVXAXMFIEQK-ZDUSSCGKSA-N 1 3 296.371 -0.194 20 0 CBADHO CC[C@@H](N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001327105635 885255514 /nfs/dbraw/zinc/25/55/14/885255514.db2.gz VACRJGSWQBUPSU-HBNTYKKESA-N 1 3 251.334 -0.590 20 0 CBADHO CCN1CCN(CCCNC(=O)COCC[NH3+])CC1 ZINC001327180506 885276090 /nfs/dbraw/zinc/27/60/90/885276090.db2.gz IBQBNJFOCDTSGY-UHFFFAOYSA-N 1 3 272.393 -0.895 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1=CCN(C)CC1 ZINC001327834448 885493025 /nfs/dbraw/zinc/49/30/25/885493025.db2.gz KORJQPGIDPCIDR-LLVKDONJSA-N 1 3 282.388 -0.440 20 0 CBADHO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001328073134 885564878 /nfs/dbraw/zinc/56/48/78/885564878.db2.gz UXBSQYPLZMDDCA-QWRGUYRKSA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001328073133 885564963 /nfs/dbraw/zinc/56/49/63/885564963.db2.gz UXBSQYPLZMDDCA-MNOVXSKESA-N 1 3 253.346 -0.295 20 0 CBADHO Cc1cncn1CC(=O)NC[C@H]1CN(C)CCN1C ZINC001328784502 885812221 /nfs/dbraw/zinc/81/22/21/885812221.db2.gz FNYHGKFLSRGSCR-LBPRGKRZSA-N 1 3 265.361 -0.446 20 0 CBADHO Cc1cncn1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001328784502 885812230 /nfs/dbraw/zinc/81/22/30/885812230.db2.gz FNYHGKFLSRGSCR-LBPRGKRZSA-N 1 3 265.361 -0.446 20 0 CBADHO Cc1cncn1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001328784502 885812237 /nfs/dbraw/zinc/81/22/37/885812237.db2.gz FNYHGKFLSRGSCR-LBPRGKRZSA-N 1 3 265.361 -0.446 20 0 CBADHO [NH3+]CCSCc1cn(C[C@H]2CNCCO2)nn1 ZINC001329314953 886010531 /nfs/dbraw/zinc/01/05/31/886010531.db2.gz AYJUBEZWCAEJMN-SNVBAGLBSA-N 1 3 257.363 -0.542 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039234 913002486 /nfs/dbraw/zinc/00/24/86/913002486.db2.gz KFBIHJMAIIVDQI-ZFWWWQNUSA-N 1 3 299.415 -0.736 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039234 913002507 /nfs/dbraw/zinc/00/25/07/913002507.db2.gz KFBIHJMAIIVDQI-ZFWWWQNUSA-N 1 3 299.415 -0.736 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC001329838261 886233301 /nfs/dbraw/zinc/23/33/01/886233301.db2.gz OLCQNRJJJNQEIN-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001330603257 886499214 /nfs/dbraw/zinc/49/92/14/886499214.db2.gz RVCAEIQIWUQIBU-PSASIEDQSA-N 1 3 251.334 -0.264 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001330619906 886504167 /nfs/dbraw/zinc/50/41/67/886504167.db2.gz ZOFBXQIUUCVZFC-UHFFFAOYSA-N 1 3 263.345 -0.025 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC001330861742 886602107 /nfs/dbraw/zinc/60/21/07/886602107.db2.gz ZTDOVJKPVJUOIC-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO COCC[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330885421 886614130 /nfs/dbraw/zinc/61/41/30/886614130.db2.gz BXGGFTHGMIUQAS-WRWGMCAJSA-N 1 3 255.362 -0.003 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001330950666 886633869 /nfs/dbraw/zinc/63/38/69/886633869.db2.gz JBBUYZAMHZTYSN-NSHDSACASA-N 1 3 256.394 -0.005 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC001331196038 886724148 /nfs/dbraw/zinc/72/41/48/886724148.db2.gz IPTIUCLNCVOBBL-JHJVBQTASA-N 1 3 294.399 -0.463 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001331231034 886741480 /nfs/dbraw/zinc/74/14/80/886741480.db2.gz AMIUGZIBRQVPHH-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001331321954 886777298 /nfs/dbraw/zinc/77/72/98/886777298.db2.gz GBAGWOKKJSZPGN-YFKTTZPYSA-N 1 3 255.362 -0.064 20 0 CBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534479 913091522 /nfs/dbraw/zinc/09/15/22/913091522.db2.gz BQZJPQREEXJVLK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001447534057 913092947 /nfs/dbraw/zinc/09/29/47/913092947.db2.gz BHTLOZPGLCBBRK-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447536150 913093179 /nfs/dbraw/zinc/09/31/79/913093179.db2.gz DYDCCSVTPFULOI-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cnnn1C ZINC001447547043 913097274 /nfs/dbraw/zinc/09/72/74/913097274.db2.gz TUCIRSWUNVTSPY-WCQYABFASA-N 1 3 294.403 -0.297 20 0 CBADHO C[NH2+]CCOCCN[C@H]1CCCS(=O)(=O)C1 ZINC001331848876 887013789 /nfs/dbraw/zinc/01/37/89/887013789.db2.gz DHEYKHHRTDEAEH-JTQLQIEISA-N 1 3 250.364 -0.611 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCCCC1 ZINC001332206127 887153223 /nfs/dbraw/zinc/15/32/23/887153223.db2.gz HOXLMGQJBCABMZ-AVGNSLFASA-N 1 3 294.399 -0.450 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C1CC1 ZINC001332267646 887179301 /nfs/dbraw/zinc/17/93/01/887179301.db2.gz PVKNKAZWTBAIRD-CHWSQXEVSA-N 1 3 294.399 -0.450 20 0 CBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)C1CNC1 ZINC001332366397 887232380 /nfs/dbraw/zinc/23/23/80/887232380.db2.gz ZZRAVMBYZBZXNJ-WDEREUQCSA-N 1 3 261.391 -0.250 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC001332423544 887272872 /nfs/dbraw/zinc/27/28/72/887272872.db2.gz DVJBEABCTMHAPR-NWDGAFQWSA-N 1 3 254.378 -0.665 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001447822843 913135605 /nfs/dbraw/zinc/13/56/05/913135605.db2.gz KIQFASNZBIGZTD-UNXYVOJBSA-N 1 3 284.404 -0.315 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001333405551 887624939 /nfs/dbraw/zinc/62/49/39/887624939.db2.gz MSJYKAGOUODFSI-AVGNSLFASA-N 1 3 294.399 -0.560 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531584 887677119 /nfs/dbraw/zinc/67/71/19/887677119.db2.gz BPWTXGIEGIYWAJ-ZETCQYMHSA-N 1 3 268.321 -0.952 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001447935608 913171518 /nfs/dbraw/zinc/17/15/18/913171518.db2.gz RUTZCSLODRYPPB-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001447935605 913172638 /nfs/dbraw/zinc/17/26/38/913172638.db2.gz RUTZCSLODRYPPB-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)([NH3+])CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333640148 887731723 /nfs/dbraw/zinc/73/17/23/887731723.db2.gz OJBCNOVWJBVNKI-UHFFFAOYSA-N 1 3 267.333 -0.225 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001333959293 887821033 /nfs/dbraw/zinc/82/10/33/887821033.db2.gz MSJYKAGOUODFSI-FRRDWIJNSA-N 1 3 294.399 -0.560 20 0 CBADHO [NH3+]C[C@@H]1CC2(CO1)CCN([C@@H]1CCNC1=O)CC2 ZINC001334336966 887925492 /nfs/dbraw/zinc/92/54/92/887925492.db2.gz FVSJBFUWCHMLLG-WDEREUQCSA-N 1 3 253.346 -0.295 20 0 CBADHO CC[C@@H](O)C[NH2+]CC(=O)NCCN1CCCCC1 ZINC001335450690 888538441 /nfs/dbraw/zinc/53/84/41/888538441.db2.gz HUGYWFNOHJQEQN-GFCCVEGCSA-N 1 3 257.378 -0.051 20 0 CBADHO CN1CCN(C[C@@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001335520255 888554620 /nfs/dbraw/zinc/55/46/20/888554620.db2.gz SIMOFTUJORFITM-XHSDSOJGSA-N 1 3 296.459 -0.189 20 0 CBADHO C[NH+](C)CCC(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001448226865 913257523 /nfs/dbraw/zinc/25/75/23/913257523.db2.gz ROCWMNDTTQBSSW-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO [NH3+]C[C@H]1C[C@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC001335696677 888606054 /nfs/dbraw/zinc/60/60/54/888606054.db2.gz PVWWBTYJXXNCHE-MGCOHNPYSA-N 1 3 254.334 -0.893 20 0 CBADHO CC(C)[N@H+](C)CCCNC[C@@H](O)CN1CCN(C)CC1 ZINC001335933145 888655784 /nfs/dbraw/zinc/65/57/84/888655784.db2.gz DTHUGYYCVPVIKG-OAHLLOKOSA-N 1 3 286.464 -0.085 20 0 CBADHO CC(C)[N@@H+](C)CCCNC[C@@H](O)CN1CCN(C)CC1 ZINC001335933145 888655795 /nfs/dbraw/zinc/65/57/95/888655795.db2.gz DTHUGYYCVPVIKG-OAHLLOKOSA-N 1 3 286.464 -0.085 20 0 CBADHO O=C1NC(=O)C2(CC[NH+](C[C@H](O)CN3CCCC3)CC2)N1 ZINC001336050526 888686358 /nfs/dbraw/zinc/68/63/58/888686358.db2.gz CKAPGSRMVJEMPO-LLVKDONJSA-N 1 3 296.371 -0.883 20 0 CBADHO COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CCOC)C1 ZINC001336977994 888940464 /nfs/dbraw/zinc/94/04/64/888940464.db2.gz OGVKLAIIDBTALV-GHMZBOCLSA-N 1 3 259.350 -0.813 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001336990777 888944054 /nfs/dbraw/zinc/94/40/54/888944054.db2.gz PBEJCDVIZUBVRC-WGBDABJCSA-N 1 3 268.361 -0.755 20 0 CBADHO CCN1CCN(CCNC(=O)CC2CC([NH3+])C2)CC1 ZINC001340111381 889385509 /nfs/dbraw/zinc/38/55/09/889385509.db2.gz AHGHRXFHQZPXJN-UHFFFAOYSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340112094 889387021 /nfs/dbraw/zinc/38/70/21/889387021.db2.gz MCKDNOJWYSBPRZ-OAHLLOKOSA-N 1 3 298.431 -0.755 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340127433 889388473 /nfs/dbraw/zinc/38/84/73/889388473.db2.gz CTHUGFQXHYWUCN-AAEUAGOBSA-N 1 3 254.378 -0.604 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340248233 889415033 /nfs/dbraw/zinc/41/50/33/889415033.db2.gz HRRSPHNBUUQXNQ-HIFRSBDPSA-N 1 3 298.431 -0.757 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H]2CNCCN2C)C[C@H]1C[NH3+] ZINC001340334896 889422820 /nfs/dbraw/zinc/42/28/20/889422820.db2.gz UWBIRJQXCOMVDN-UTUOFQBUSA-N 1 3 254.378 -0.667 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@H]2CNCCN2C)C[C@@H]1C[NH3+] ZINC001340334894 889422649 /nfs/dbraw/zinc/42/26/49/889422649.db2.gz UWBIRJQXCOMVDN-GRYCIOLGSA-N 1 3 254.378 -0.667 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CCCCC1 ZINC001340658672 889461572 /nfs/dbraw/zinc/46/15/72/889461572.db2.gz CIXGDCLIIDPLAE-FRRDWIJNSA-N 1 3 269.389 -0.054 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC001340736407 889476032 /nfs/dbraw/zinc/47/60/32/889476032.db2.gz RWIPHNDRQHXIEL-CHWSQXEVSA-N 1 3 265.357 -0.405 20 0 CBADHO CC[C@H](CO)NCC1(C[NH2+][C@H](CC)CO)COC1 ZINC001340884733 889506958 /nfs/dbraw/zinc/50/69/58/889506958.db2.gz HSYKPECUPOPYPH-VXGBXAGGSA-N 1 3 260.378 -0.276 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[C@@H]1CNCCO1 ZINC001341025886 889532647 /nfs/dbraw/zinc/53/26/47/889532647.db2.gz PSUDHMGOAWCJBU-IJLUTSLNSA-N 1 3 255.362 -0.273 20 0 CBADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143274 889548564 /nfs/dbraw/zinc/54/85/64/889548564.db2.gz DXVNJBLPKATUHL-WOPDTQHZSA-N 1 3 254.378 -0.511 20 0 CBADHO CC1(C)CCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341419711 889592242 /nfs/dbraw/zinc/59/22/42/889592242.db2.gz QXTMJSBZTNOFQU-BXUZGUMPSA-N 1 3 269.389 -0.053 20 0 CBADHO [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1=O ZINC001341587027 889629937 /nfs/dbraw/zinc/62/99/37/889629937.db2.gz SQDAZVSFWLDPCW-WCQYABFASA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001341626222 889635032 /nfs/dbraw/zinc/63/50/32/889635032.db2.gz DQTHPEKKQNQTBJ-BLFANLJRSA-N 1 3 269.389 -0.056 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341848612 889674294 /nfs/dbraw/zinc/67/42/94/889674294.db2.gz RHKTTWAGLLWLSQ-RYUDHWBXSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C[NH2+]C1 ZINC001341924384 889684455 /nfs/dbraw/zinc/68/44/55/889684455.db2.gz RYMJLPJEYBKWQT-NWDGAFQWSA-N 1 3 267.373 -0.347 20 0 CBADHO [NH3+]CCCSCCC(=O)NC[C@H]1CNCCO1 ZINC001341942019 889686136 /nfs/dbraw/zinc/68/61/36/889686136.db2.gz CKGHBXSZMDLJHL-SNVBAGLBSA-N 1 3 261.391 -0.437 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001342021532 889697552 /nfs/dbraw/zinc/69/75/52/889697552.db2.gz LYPKEHUCYLSBCJ-WOPDTQHZSA-N 1 3 255.362 -0.361 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001342126596 889713882 /nfs/dbraw/zinc/71/38/82/889713882.db2.gz QLLCLULFYPDEMQ-SRVKXCTJSA-N 1 3 265.357 -0.236 20 0 CBADHO COCC[C@@H](N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342124289 889714399 /nfs/dbraw/zinc/71/43/99/889714399.db2.gz LKRBEJWKWUBVNV-DMDPSCGWSA-N 1 3 255.362 -0.240 20 0 CBADHO COCC[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001342124289 889714403 /nfs/dbraw/zinc/71/44/03/889714403.db2.gz LKRBEJWKWUBVNV-DMDPSCGWSA-N 1 3 255.362 -0.240 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3CNCCO3)[C@@H]2C1 ZINC001342148612 889719835 /nfs/dbraw/zinc/71/98/35/889719835.db2.gz UKEJKXXZBWXNRN-LOWDOPEQSA-N 1 3 267.373 -0.179 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]3CNCCO3)[C@@H]2C1 ZINC001342148612 889719842 /nfs/dbraw/zinc/71/98/42/889719842.db2.gz UKEJKXXZBWXNRN-LOWDOPEQSA-N 1 3 267.373 -0.179 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001342190678 889729545 /nfs/dbraw/zinc/72/95/45/889729545.db2.gz TYCXQLCRPWEDRZ-LOWVWBTDSA-N 1 3 252.362 -0.770 20 0 CBADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342216423 889733911 /nfs/dbraw/zinc/73/39/11/889733911.db2.gz WRXASCNLGAEHPG-LNFKQOIKSA-N 1 3 251.330 -0.626 20 0 CBADHO CCC1(N2CCOCC2)CCN(C(=O)CNCC[NH3+])CC1 ZINC001342250780 889739264 /nfs/dbraw/zinc/73/92/64/889739264.db2.gz RFOVVYNIMGXGPU-UHFFFAOYSA-N 1 3 298.431 -0.362 20 0 CBADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]C[C@H]1O ZINC001342269222 889744235 /nfs/dbraw/zinc/74/42/35/889744235.db2.gz HFEAWPUWRQUOSF-RWMBFGLXSA-N 1 3 261.325 -0.330 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373708 889765605 /nfs/dbraw/zinc/76/56/05/889765605.db2.gz IMOSHXUIWRLVCZ-NEPJUHHUSA-N 1 3 268.405 -0.216 20 0 CBADHO COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CCCCN1 ZINC001342416125 889770900 /nfs/dbraw/zinc/77/09/00/889770900.db2.gz NZHCGNYGNDCYAV-WZRBSPASSA-N 1 3 255.362 -0.131 20 0 CBADHO CC1(C)CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC001342507418 889787241 /nfs/dbraw/zinc/78/72/41/889787241.db2.gz YURXQBQOCUDOCP-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCN1C ZINC001342571211 889795194 /nfs/dbraw/zinc/79/51/94/889795194.db2.gz VLVWOWVHKXTEQO-NMKXLXIOSA-N 1 3 267.373 -0.179 20 0 CBADHO C[C@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCN1C ZINC001342571213 889795821 /nfs/dbraw/zinc/79/58/21/889795821.db2.gz VLVWOWVHKXTEQO-OPDFLTKYSA-N 1 3 267.373 -0.179 20 0 CBADHO NCc1ocnc1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001342599243 889798771 /nfs/dbraw/zinc/79/87/71/889798771.db2.gz ZUKAXLXZGVHICS-UHFFFAOYSA-N 1 3 295.387 -0.061 20 0 CBADHO COCCNCC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001343039827 889857432 /nfs/dbraw/zinc/85/74/32/889857432.db2.gz BPWRAAICJPFVGH-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001343468027 889915351 /nfs/dbraw/zinc/91/53/51/889915351.db2.gz QJQIIKFKPHEABU-ZDEQEGDKSA-N 1 3 266.389 -0.524 20 0 CBADHO CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001343566108 889933084 /nfs/dbraw/zinc/93/30/84/889933084.db2.gz FBBGLGKRGRFCEY-VXGBXAGGSA-N 1 3 255.362 -0.347 20 0 CBADHO CN(CC1CC[NH2+]CC1)C(=O)C[C@@H]1CNCCO1 ZINC001343568547 889936341 /nfs/dbraw/zinc/93/63/41/889936341.db2.gz KHNMJMVZBMPHLJ-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CN(C(=O)c2c(CN)cnn2C)CC[C@H]1C[NH3+] ZINC001345010809 890090854 /nfs/dbraw/zinc/09/08/54/890090854.db2.gz KZLBLXWVUMGLLL-ZJUUUORDSA-N 1 3 265.361 -0.064 20 0 CBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC001345163205 890105225 /nfs/dbraw/zinc/10/52/25/890105225.db2.gz ACARZXYLMVAMCP-QJPTWQEYSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345512829 890138263 /nfs/dbraw/zinc/13/82/63/890138263.db2.gz DIHIYFCJDAADMW-WISYIIOYSA-N 1 3 253.346 -0.236 20 0 CBADHO NC(=O)CC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC001345630685 890148541 /nfs/dbraw/zinc/14/85/41/890148541.db2.gz AGRHZPHKPRSMMT-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH2+][C@H]1CCN(C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001345944725 890182339 /nfs/dbraw/zinc/18/23/39/890182339.db2.gz VDEHKEYTXSFFJP-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346164291 890227783 /nfs/dbraw/zinc/22/77/83/890227783.db2.gz WTTBJVQDNSFKLC-XPOXDWOYSA-N 1 3 252.362 -0.724 20 0 CBADHO [NH3+]CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001346208754 890237629 /nfs/dbraw/zinc/23/76/29/890237629.db2.gz BECIXIIUCXPCER-VXGBXAGGSA-N 1 3 255.362 -0.217 20 0 CBADHO [NH3+]CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001346208747 890240185 /nfs/dbraw/zinc/24/01/85/890240185.db2.gz BECIXIIUCXPCER-NEPJUHHUSA-N 1 3 255.362 -0.217 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]([NH3+])C2CC2)n1 ZINC001347156875 890418550 /nfs/dbraw/zinc/41/85/50/890418550.db2.gz DOAPLTRKVBMPGG-SECBINFHSA-N 1 3 265.317 -0.616 20 0 CBADHO C[C@]1(C[NH3+])CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC001349214433 890776349 /nfs/dbraw/zinc/77/63/49/890776349.db2.gz FYKYNRNAZJQFML-CYBMUJFWSA-N 1 3 263.345 -0.134 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC001349227834 890780921 /nfs/dbraw/zinc/78/09/21/890780921.db2.gz MGXKOCZAMARVMA-QWRGUYRKSA-N 1 3 253.346 -0.377 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317461 890794860 /nfs/dbraw/zinc/79/48/60/890794860.db2.gz CEDBIKIVEOKYIF-NXEZZACHSA-N 1 3 266.345 -0.747 20 0 CBADHO CC(=O)N(C)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001349389049 890805835 /nfs/dbraw/zinc/80/58/35/890805835.db2.gz IESZXLQBBBYMIA-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCC([NH+]2CCC(NC(=O)CN)CC2)CC1 ZINC001349471383 890820232 /nfs/dbraw/zinc/82/02/32/890820232.db2.gz CLAMPHONMQMMPC-UHFFFAOYSA-N 1 3 254.378 -0.380 20 0 CBADHO COCCC1(NC(=O)[C@H](CN)OC)CC[NH2+]CC1 ZINC001349817536 890900858 /nfs/dbraw/zinc/90/08/58/890900858.db2.gz JRDKXUQPTFWBKC-JTQLQIEISA-N 1 3 259.350 -0.765 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001349907657 890912646 /nfs/dbraw/zinc/91/26/46/890912646.db2.gz NQQRFZKMMNSEQJ-YUMQZZPRSA-N 1 3 251.277 -0.679 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC001350224131 890949639 /nfs/dbraw/zinc/94/96/39/890949639.db2.gz SPVTVLIIRLMEJI-AOOOYVTPSA-N 1 3 254.334 -0.893 20 0 CBADHO O=C1OCCN1[C@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC001350398644 890976917 /nfs/dbraw/zinc/97/69/17/890976917.db2.gz QOTWQUVUUNNQHG-LBPRGKRZSA-N 1 3 268.361 -0.582 20 0 CBADHO c1c(CNCC2CC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC001351756903 891181385 /nfs/dbraw/zinc/18/13/85/891181385.db2.gz PXOIZKYJTOEIHY-GFCCVEGCSA-N 1 3 251.334 -0.234 20 0 CBADHO NC1(C[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC001352762660 891290820 /nfs/dbraw/zinc/29/08/20/891290820.db2.gz XGKJNVMPOKVQDD-UHFFFAOYSA-N 1 3 282.432 -0.136 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001352824345 891302908 /nfs/dbraw/zinc/30/29/08/891302908.db2.gz LEWPMPSTHUUBEX-SECBINFHSA-N 1 3 251.334 -0.392 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001352839704 891305600 /nfs/dbraw/zinc/30/56/00/891305600.db2.gz QCAXVOWRUFTWQV-SNVBAGLBSA-N 1 3 252.318 -0.245 20 0 CBADHO COCC[C@@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001353061932 891352815 /nfs/dbraw/zinc/35/28/15/891352815.db2.gz BTQMBRIPTYLLLJ-LLVKDONJSA-N 1 3 269.349 -0.253 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001353274941 891393081 /nfs/dbraw/zinc/39/30/81/891393081.db2.gz AEHMUXPMLQAVDJ-XQQFMLRXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CC[NH2+]C[C@H](O)C1(O)CCOCC1)N(C)C ZINC001353288458 891395883 /nfs/dbraw/zinc/39/58/83/891395883.db2.gz ZXQBQEVDCZPLQG-RYUDHWBXSA-N 1 3 260.378 -0.181 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCCN1CCN(C)CC1 ZINC001353354489 891411298 /nfs/dbraw/zinc/41/12/98/891411298.db2.gz QJGFQPBGNSUZOL-ZIAGYGMSSA-N 1 3 297.447 -0.079 20 0 CBADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1CNCCO1)C2 ZINC001353430754 891425989 /nfs/dbraw/zinc/42/59/89/891425989.db2.gz QRRCLAIFHLFCJV-XPOXDWOYSA-N 1 3 268.361 -0.456 20 0 CBADHO [NH3+]CCN1CCC[C@@H](C(=O)NCCN2CCCC2)C1=O ZINC001353449114 891427962 /nfs/dbraw/zinc/42/79/62/891427962.db2.gz ZYQWIFMUZXJYIZ-LBPRGKRZSA-N 1 3 282.388 -0.604 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001353602490 891452621 /nfs/dbraw/zinc/45/26/21/891452621.db2.gz PJRGDJXHZSGBPM-ZDUSSCGKSA-N 1 3 268.405 -0.262 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001353602489 891453235 /nfs/dbraw/zinc/45/32/35/891453235.db2.gz PJRGDJXHZSGBPM-CYBMUJFWSA-N 1 3 268.405 -0.262 20 0 CBADHO CCCCCCN(C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001354343333 891567473 /nfs/dbraw/zinc/56/74/73/891567473.db2.gz NNRMBHIONZZKBH-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H](NC(=O)[C@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC001354523108 891589393 /nfs/dbraw/zinc/58/93/93/891589393.db2.gz ICSRECHZEMPTQY-CMPLNLGQSA-N 1 3 254.378 -0.606 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001354958893 891635036 /nfs/dbraw/zinc/63/50/36/891635036.db2.gz SANGUYZVUYWULC-YRGRVCCFSA-N 1 3 266.389 -0.462 20 0 CBADHO [NH3+]CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001356226745 891740429 /nfs/dbraw/zinc/74/04/29/891740429.db2.gz BXYAXSJLRVZGOM-NWDGAFQWSA-N 1 3 271.361 -0.981 20 0 CBADHO [NH3+]CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001356226746 891741279 /nfs/dbraw/zinc/74/12/79/891741279.db2.gz BXYAXSJLRVZGOM-RYUDHWBXSA-N 1 3 271.361 -0.981 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001357397078 891886848 /nfs/dbraw/zinc/88/68/48/891886848.db2.gz NYULGWNGWGIKJO-UMSGYPCISA-N 1 3 267.373 -0.036 20 0 CBADHO CN(CCOCC[NH3+])C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001357945861 891947580 /nfs/dbraw/zinc/94/75/80/891947580.db2.gz RQVUYYKGTQCUKM-SNVBAGLBSA-N 1 3 281.360 -0.276 20 0 CBADHO COCCNCC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001358212800 891982969 /nfs/dbraw/zinc/98/29/69/891982969.db2.gz GJCFZVDJAIDVIG-LLVKDONJSA-N 1 3 299.371 -0.976 20 0 CBADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001363200707 893451613 /nfs/dbraw/zinc/45/16/13/893451613.db2.gz ACLKCZFLJROOOJ-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365817822 895125557 /nfs/dbraw/zinc/12/55/57/895125557.db2.gz GHFKSNUDDSDKPH-TXEJJXNPSA-N 1 3 294.403 -0.249 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001365813002 895125840 /nfs/dbraw/zinc/12/58/40/895125840.db2.gz KVORFJCNBZOZLK-UTUOFQBUSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001365823873 895129008 /nfs/dbraw/zinc/12/90/08/895129008.db2.gz XXJDSVZFNOHGPO-RNJOBUHISA-N 1 3 296.415 -0.301 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001365827330 895129190 /nfs/dbraw/zinc/12/91/90/895129190.db2.gz SRNWWFQWDRVPFT-XQQFMLRXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365854113 895134762 /nfs/dbraw/zinc/13/47/62/895134762.db2.gz XHQMSXQBVTZUEC-AVGNSLFASA-N 1 3 296.415 -0.301 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001366104004 895192109 /nfs/dbraw/zinc/19/21/09/895192109.db2.gz WMABOOHFNGXION-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001366104004 895192111 /nfs/dbraw/zinc/19/21/11/895192111.db2.gz WMABOOHFNGXION-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366182077 895216494 /nfs/dbraw/zinc/21/64/94/895216494.db2.gz ANQXNIXFOOAZQH-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO NC(=O)CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001366214830 895223917 /nfs/dbraw/zinc/22/39/17/895223917.db2.gz AFPNBPLOJUAJOJ-GFCCVEGCSA-N 1 3 294.399 -0.462 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001366334118 895279434 /nfs/dbraw/zinc/27/94/34/895279434.db2.gz LMZNPQONFNGCJB-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358233 895288032 /nfs/dbraw/zinc/28/80/32/895288032.db2.gz NPFHODZCHQPVAA-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001366358233 895288043 /nfs/dbraw/zinc/28/80/43/895288043.db2.gz NPFHODZCHQPVAA-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366358133 895289396 /nfs/dbraw/zinc/28/93/96/895289396.db2.gz NDMVLYQSBKAZDL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366358133 895289405 /nfs/dbraw/zinc/28/94/05/895289405.db2.gz NDMVLYQSBKAZDL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001366382800 895299934 /nfs/dbraw/zinc/29/99/34/895299934.db2.gz WWGUQLRRFULWFO-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001366382800 895299945 /nfs/dbraw/zinc/29/99/45/895299945.db2.gz WWGUQLRRFULWFO-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001366380778 895301941 /nfs/dbraw/zinc/30/19/41/895301941.db2.gz HRMLDZSJYQDNSX-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001366388300 895305080 /nfs/dbraw/zinc/30/50/80/895305080.db2.gz AEBWJDDEJQNQLX-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001366388300 895305096 /nfs/dbraw/zinc/30/50/96/895305096.db2.gz AEBWJDDEJQNQLX-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001366402514 895314149 /nfs/dbraw/zinc/31/41/49/895314149.db2.gz ALPQXNPEOOUQGV-CMPLNLGQSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001366471157 895328885 /nfs/dbraw/zinc/32/88/85/895328885.db2.gz ISNSDGJCXBLDJQ-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001366777527 895460386 /nfs/dbraw/zinc/46/03/86/895460386.db2.gz RTNBMYXZZOESMP-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001366784440 895460738 /nfs/dbraw/zinc/46/07/38/895460738.db2.gz ZFRBUXYOKXDREK-JTQLQIEISA-N 1 3 293.371 -0.346 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001366777677 895461737 /nfs/dbraw/zinc/46/17/37/895461737.db2.gz RYSPXSWHLWFADA-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367222083 895586239 /nfs/dbraw/zinc/58/62/39/895586239.db2.gz UZOLHHTZCGOBAB-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367222083 895586245 /nfs/dbraw/zinc/58/62/45/895586245.db2.gz UZOLHHTZCGOBAB-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367385669 895628295 /nfs/dbraw/zinc/62/82/95/895628295.db2.gz SKLTWKRCSVXKHF-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001367425582 895636055 /nfs/dbraw/zinc/63/60/55/895636055.db2.gz USYQYIQVPYVSRW-GFCCVEGCSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001367678805 895738871 /nfs/dbraw/zinc/73/88/71/895738871.db2.gz VDFRFIQGODHBJU-UPJWGTAASA-N 1 3 298.431 -0.055 20 0 CBADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367681855 895744063 /nfs/dbraw/zinc/74/40/63/895744063.db2.gz AZULSTDOUIMRQY-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367681855 895744087 /nfs/dbraw/zinc/74/40/87/895744087.db2.gz AZULSTDOUIMRQY-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001367696228 895748958 /nfs/dbraw/zinc/74/89/58/895748958.db2.gz OZAXZXJESSFCBW-LLVKDONJSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001367700257 895753104 /nfs/dbraw/zinc/75/31/04/895753104.db2.gz UXEJTPPDGXPVLF-UTUOFQBUSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001367699081 895755645 /nfs/dbraw/zinc/75/56/45/895755645.db2.gz XTHYKYDYUGOXCW-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708558 895760693 /nfs/dbraw/zinc/76/06/93/895760693.db2.gz XQMJXPPXBAYSBY-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708735 895760532 /nfs/dbraw/zinc/76/05/32/895760532.db2.gz ZRJJURWAAUNCPL-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367708735 895760551 /nfs/dbraw/zinc/76/05/51/895760551.db2.gz ZRJJURWAAUNCPL-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367708558 895760703 /nfs/dbraw/zinc/76/07/03/895760703.db2.gz XQMJXPPXBAYSBY-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001367776957 895802247 /nfs/dbraw/zinc/80/22/47/895802247.db2.gz SWIGWCGZBZFKID-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001367775873 895802909 /nfs/dbraw/zinc/80/29/09/895802909.db2.gz JFQXHAZMVKGBMK-QWRGUYRKSA-N 1 3 272.393 -0.445 20 0 CBADHO CN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001367900612 895850331 /nfs/dbraw/zinc/85/03/31/895850331.db2.gz LHRTZPMCSJMAFT-LBPRGKRZSA-N 1 3 298.431 -0.066 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926902 895855288 /nfs/dbraw/zinc/85/52/88/895855288.db2.gz WDAYDEKXSYTCRM-NEPJUHHUSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926902 895855302 /nfs/dbraw/zinc/85/53/02/895855302.db2.gz WDAYDEKXSYTCRM-NEPJUHHUSA-N 1 3 282.388 -0.832 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001368104043 895915252 /nfs/dbraw/zinc/91/52/52/895915252.db2.gz ALPKPXWDOPNHIN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001368343564 895986738 /nfs/dbraw/zinc/98/67/38/895986738.db2.gz FTDVASNKRWJEPX-CLLJXQQHSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001368523069 896025086 /nfs/dbraw/zinc/02/50/86/896025086.db2.gz GUDVRXXSSAXYPF-LOWVWBTDSA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001368580917 896041102 /nfs/dbraw/zinc/04/11/02/896041102.db2.gz PFWQGUXEDXUFRW-FDYHWXHSSA-N 1 3 298.431 -0.069 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)N(C)C ZINC001368617605 896048545 /nfs/dbraw/zinc/04/85/45/896048545.db2.gz AZHAYERKEGWXGC-TZMCWYRMSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001369178902 896164826 /nfs/dbraw/zinc/16/48/26/896164826.db2.gz GGWBFQSDHJKHPU-CYDGBPFRSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001369253148 896181000 /nfs/dbraw/zinc/18/10/00/896181000.db2.gz SFIUJUISYQLEIW-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(N)=O ZINC001369272149 896184320 /nfs/dbraw/zinc/18/43/20/896184320.db2.gz MJBGIXOQDBUNAC-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001369278473 896185381 /nfs/dbraw/zinc/18/53/81/896185381.db2.gz SMXFNMXITQRIGT-NEPJUHHUSA-N 1 3 286.420 -0.149 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001369298257 896189925 /nfs/dbraw/zinc/18/99/25/896189925.db2.gz SKOSTFMRNQBKQB-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001369294965 896191084 /nfs/dbraw/zinc/19/10/84/896191084.db2.gz WCQGSBUULQMFQB-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369309625 896199673 /nfs/dbraw/zinc/19/96/73/896199673.db2.gz VHYMILXPSMRXJW-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369309625 896199680 /nfs/dbraw/zinc/19/96/80/896199680.db2.gz VHYMILXPSMRXJW-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001369395228 896256460 /nfs/dbraw/zinc/25/64/60/896256460.db2.gz RUFAAQYLRIYMLR-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001369395228 896256472 /nfs/dbraw/zinc/25/64/72/896256472.db2.gz RUFAAQYLRIYMLR-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001369488945 896291229 /nfs/dbraw/zinc/29/12/29/896291229.db2.gz LIHUEOFNTWJSHU-NEPJUHHUSA-N 1 3 275.393 -0.884 20 0 CBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1)N(C)C ZINC001369576832 896322108 /nfs/dbraw/zinc/32/21/08/896322108.db2.gz AQIRPCBDZHNNIO-HTAVTVPLSA-N 1 3 284.404 -0.348 20 0 CBADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752393 896335729 /nfs/dbraw/zinc/33/57/29/896335729.db2.gz QSOKCRIWQIKYNX-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752394 896335952 /nfs/dbraw/zinc/33/59/52/896335952.db2.gz QSOKCRIWQIKYNX-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369752388 896336479 /nfs/dbraw/zinc/33/64/79/896336479.db2.gz QSOKCRIWQIKYNX-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001370358159 896420897 /nfs/dbraw/zinc/42/08/97/896420897.db2.gz XXIGNSHLNHUDEG-XQQFMLRXSA-N 1 3 285.388 -0.722 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001370404100 896423097 /nfs/dbraw/zinc/42/30/97/896423097.db2.gz JSQZHUSRQQIDNZ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001370404100 896423101 /nfs/dbraw/zinc/42/31/01/896423101.db2.gz JSQZHUSRQQIDNZ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001370483938 896437339 /nfs/dbraw/zinc/43/73/39/896437339.db2.gz OAXYCLDNOLXVNI-HAQNSBGRSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001370646552 896461492 /nfs/dbraw/zinc/46/14/92/896461492.db2.gz DCHOLMIVMRJYEW-YVECIDJPSA-N 1 3 287.404 -0.429 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001370646544 896462215 /nfs/dbraw/zinc/46/22/15/896462215.db2.gz DCHOLMIVMRJYEW-QNWHQSFQSA-N 1 3 287.404 -0.429 20 0 CBADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001370964435 896524764 /nfs/dbraw/zinc/52/47/64/896524764.db2.gz ORSWIDICCMMRQY-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001371361724 896595890 /nfs/dbraw/zinc/59/58/90/896595890.db2.gz GORGCPCHIYQSLF-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO Cc1nc(CN[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001371417469 896605844 /nfs/dbraw/zinc/60/58/44/896605844.db2.gz JQDVXMQHODIFMB-JTQLQIEISA-N 1 3 292.387 -0.197 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001371539036 896631960 /nfs/dbraw/zinc/63/19/60/896631960.db2.gz PCYDQMZFJXAYEM-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001371539036 896631966 /nfs/dbraw/zinc/63/19/66/896631966.db2.gz PCYDQMZFJXAYEM-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001371535140 896633770 /nfs/dbraw/zinc/63/37/70/896633770.db2.gz KPOMTKPOXBYESS-JQWIXIFHSA-N 1 3 282.344 -0.850 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001371569215 896638018 /nfs/dbraw/zinc/63/80/18/896638018.db2.gz QDVUWYXOLZFVRM-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001371569211 896638171 /nfs/dbraw/zinc/63/81/71/896638171.db2.gz QDVUWYXOLZFVRM-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001371889903 896673695 /nfs/dbraw/zinc/67/36/95/896673695.db2.gz VCWUVZJRLJFTMB-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001372912387 896899425 /nfs/dbraw/zinc/89/94/25/896899425.db2.gz ZYVMNJNGVWZGNV-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372912387 896899434 /nfs/dbraw/zinc/89/94/34/896899434.db2.gz ZYVMNJNGVWZGNV-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001372912401 896899921 /nfs/dbraw/zinc/89/99/21/896899921.db2.gz ZYVMNJNGVWZGNV-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372912401 896899935 /nfs/dbraw/zinc/89/99/35/896899935.db2.gz ZYVMNJNGVWZGNV-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC001372919076 896902608 /nfs/dbraw/zinc/90/26/08/896902608.db2.gz DNINQBPWUQSBRS-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC001372919065 896904742 /nfs/dbraw/zinc/90/47/42/896904742.db2.gz DNINQBPWUQSBRS-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001372994115 896919878 /nfs/dbraw/zinc/91/98/78/896919878.db2.gz TZIFJPQVVIJQKX-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001372994115 896919887 /nfs/dbraw/zinc/91/98/87/896919887.db2.gz TZIFJPQVVIJQKX-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](O)CN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373605463 897071972 /nfs/dbraw/zinc/07/19/72/897071972.db2.gz DMTMZXCVQBURBZ-STQMWFEESA-N 1 3 299.415 -0.332 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001373887808 897133125 /nfs/dbraw/zinc/13/31/25/897133125.db2.gz CCUOZYQXHIUQPB-ZDUSSCGKSA-N 1 3 270.377 -0.702 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001373976607 897144463 /nfs/dbraw/zinc/14/44/63/897144463.db2.gz XFLKEVJIGCYYBI-KGLIPLIRSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001374017630 897154038 /nfs/dbraw/zinc/15/40/38/897154038.db2.gz WRMZGWGFSUZURL-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001374017626 897154478 /nfs/dbraw/zinc/15/44/78/897154478.db2.gz WRMZGWGFSUZURL-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC[NH+](C)C ZINC001374277061 897201479 /nfs/dbraw/zinc/20/14/79/897201479.db2.gz NLQSMRTYRBKQKC-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374281483 897203497 /nfs/dbraw/zinc/20/34/97/897203497.db2.gz OHPVHAPKOMSJDE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374281483 897203507 /nfs/dbraw/zinc/20/35/07/897203507.db2.gz OHPVHAPKOMSJDE-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287344 897207462 /nfs/dbraw/zinc/20/74/62/897207462.db2.gz MJMSRFQGOLSAPO-JTQLQIEISA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001374673036 897336006 /nfs/dbraw/zinc/33/60/06/897336006.db2.gz UBIAOFZEEQWJJJ-STQMWFEESA-N 1 3 297.403 -0.673 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374756286 897374227 /nfs/dbraw/zinc/37/42/27/897374227.db2.gz MOINALDMTDFAEL-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374756286 897374246 /nfs/dbraw/zinc/37/42/46/897374246.db2.gz MOINALDMTDFAEL-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374752815 897374332 /nfs/dbraw/zinc/37/43/32/897374332.db2.gz MMLNQTIXYRQEQP-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374752815 897374350 /nfs/dbraw/zinc/37/43/50/897374350.db2.gz MMLNQTIXYRQEQP-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001374758377 897374676 /nfs/dbraw/zinc/37/46/76/897374676.db2.gz PWYSQNUZMMOZAU-CQSZACIVSA-N 1 3 298.431 -0.149 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374752822 897375233 /nfs/dbraw/zinc/37/52/33/897375233.db2.gz MMLNQTIXYRQEQP-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374752822 897375240 /nfs/dbraw/zinc/37/52/40/897375240.db2.gz MMLNQTIXYRQEQP-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374752820 897376733 /nfs/dbraw/zinc/37/67/33/897376733.db2.gz MMLNQTIXYRQEQP-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374752820 897376745 /nfs/dbraw/zinc/37/67/45/897376745.db2.gz MMLNQTIXYRQEQP-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001374811839 897400672 /nfs/dbraw/zinc/40/06/72/897400672.db2.gz YYUXKXNTISXRDE-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001374927413 897433779 /nfs/dbraw/zinc/43/37/79/897433779.db2.gz WKJQFTCVUGHULY-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001374927414 897435119 /nfs/dbraw/zinc/43/51/19/897435119.db2.gz WKJQFTCVUGHULY-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374963012 897442863 /nfs/dbraw/zinc/44/28/63/897442863.db2.gz ZRJJURWAAUNCPL-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374963012 897442872 /nfs/dbraw/zinc/44/28/72/897442872.db2.gz ZRJJURWAAUNCPL-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001375251922 897503335 /nfs/dbraw/zinc/50/33/35/897503335.db2.gz NAXGHNKKSSDYBV-LBPRGKRZSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001375277126 897506626 /nfs/dbraw/zinc/50/66/26/897506626.db2.gz JYKAUEJATMZFJS-CMPLNLGQSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001375503822 897556495 /nfs/dbraw/zinc/55/64/95/897556495.db2.gz XXJDSVZFNOHGPO-QNWHQSFQSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375559413 897566019 /nfs/dbraw/zinc/56/60/19/897566019.db2.gz HGDHAVFDEIGIOA-WNGYAQOMSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001375759111 897603253 /nfs/dbraw/zinc/60/32/53/897603253.db2.gz ZEHTVWFYQJPGHF-YPMHNXCESA-N 1 3 296.415 -0.075 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001375764644 897603656 /nfs/dbraw/zinc/60/36/56/897603656.db2.gz ZRVHNMLRRQCPOF-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001376257912 897699302 /nfs/dbraw/zinc/69/93/02/897699302.db2.gz QVDHQWDSXVCORF-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376364246 897719167 /nfs/dbraw/zinc/71/91/67/897719167.db2.gz FDIJKYWRHGXWED-AVGNSLFASA-N 1 3 299.415 -0.285 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376363137 897719194 /nfs/dbraw/zinc/71/91/94/897719194.db2.gz AUEIXGUJUVAXQU-SRVKXCTJSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001376377026 897722988 /nfs/dbraw/zinc/72/29/88/897722988.db2.gz RWUIBJNHMZDLQA-XWLWVQCSSA-N 1 3 270.377 -0.563 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001376391281 897723195 /nfs/dbraw/zinc/72/31/95/897723195.db2.gz HHWUZUBENFDDDL-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001376392254 897723938 /nfs/dbraw/zinc/72/39/38/897723938.db2.gz WEXFDXUZHLWAST-DDHJBXDOSA-N 1 3 284.404 -0.317 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001376508399 897763021 /nfs/dbraw/zinc/76/30/21/897763021.db2.gz CCHIGDVXZIQPKL-BETUJISGSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001376556366 897776388 /nfs/dbraw/zinc/77/63/88/897776388.db2.gz BRSNICHFXAGYBA-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376598818 897780729 /nfs/dbraw/zinc/78/07/29/897780729.db2.gz AIIQLSBQTFPZNL-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001376598830 897781273 /nfs/dbraw/zinc/78/12/73/897781273.db2.gz AIIQLSBQTFPZNL-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001376748362 897832178 /nfs/dbraw/zinc/83/21/78/897832178.db2.gz WCMKMPXZQVQLOE-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001376748362 897832187 /nfs/dbraw/zinc/83/21/87/897832187.db2.gz WCMKMPXZQVQLOE-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001376758489 897836845 /nfs/dbraw/zinc/83/68/45/897836845.db2.gz GAIMJNVIXFKMSQ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001376803222 897851996 /nfs/dbraw/zinc/85/19/96/897851996.db2.gz OHEZHRAKZXUNKK-ZYHUDNBSSA-N 1 3 272.393 -0.587 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376882182 897881715 /nfs/dbraw/zinc/88/17/15/897881715.db2.gz NOCJYDKIOHDYDD-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376882182 897881726 /nfs/dbraw/zinc/88/17/26/897881726.db2.gz NOCJYDKIOHDYDD-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376913607 897891090 /nfs/dbraw/zinc/89/10/90/897891090.db2.gz BNHIORMVQLEVJS-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001376914285 897892405 /nfs/dbraw/zinc/89/24/05/897892405.db2.gz JIKQYGXIFFPKTE-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001376970310 897904248 /nfs/dbraw/zinc/90/42/48/897904248.db2.gz XTTGYWRZWKAKLT-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001376971166 897903941 /nfs/dbraw/zinc/90/39/41/897903941.db2.gz ZCQWFDUIAZEBRH-VHSXEESVSA-N 1 3 279.344 -0.736 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001376971163 897905169 /nfs/dbraw/zinc/90/51/69/897905169.db2.gz ZCQWFDUIAZEBRH-NXEZZACHSA-N 1 3 279.344 -0.736 20 0 CBADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001377037543 897918928 /nfs/dbraw/zinc/91/89/28/897918928.db2.gz SKSZKJPGAXDTGI-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001377178648 897960192 /nfs/dbraw/zinc/96/01/92/897960192.db2.gz VYBAMHKETNJQEE-AWEZNQCLSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)N(C)C ZINC001377449037 898052318 /nfs/dbraw/zinc/05/23/18/898052318.db2.gz FVHNEHDUHAIXNH-HBNTYKKESA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575761 898089991 /nfs/dbraw/zinc/08/99/91/898089991.db2.gz JWTWEJZFFGBOOV-STQMWFEESA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)CCC[NH+](C)C ZINC001377577888 898093223 /nfs/dbraw/zinc/09/32/23/898093223.db2.gz DWRHTBWVMJNKDO-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H]1CCNC1=O)[NH+](C)C ZINC001377588465 898099434 /nfs/dbraw/zinc/09/94/34/898099434.db2.gz ILLVCDPHRTXLKN-VXGBXAGGSA-N 1 3 284.404 -0.491 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001377732058 898123431 /nfs/dbraw/zinc/12/34/31/898123431.db2.gz QKVYDUBCXQPVKU-UHFFFAOYSA-N 1 3 270.377 -0.702 20 0 CBADHO CNC(=O)CN(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377796028 898140631 /nfs/dbraw/zinc/14/06/31/898140631.db2.gz NLCXTNKERYPXED-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377841279 898147849 /nfs/dbraw/zinc/14/78/49/898147849.db2.gz WCJDNJGFWMMZBB-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378014061 898196001 /nfs/dbraw/zinc/19/60/01/898196001.db2.gz DAPCAWXHCFTIIO-OCCSQVGLSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378014061 898196007 /nfs/dbraw/zinc/19/60/07/898196007.db2.gz DAPCAWXHCFTIIO-OCCSQVGLSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162585 898258129 /nfs/dbraw/zinc/25/81/29/898258129.db2.gz CJIGFMRJXXDWCC-CHWSQXEVSA-N 1 3 287.404 -0.522 20 0 CBADHO C[NH+](C)CCCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001378377997 898324924 /nfs/dbraw/zinc/32/49/24/898324924.db2.gz UEFZXHGHKTXKQQ-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@H](NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001378506896 898341853 /nfs/dbraw/zinc/34/18/53/898341853.db2.gz XUZKBTGXRJDEIA-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001378522827 898344427 /nfs/dbraw/zinc/34/44/27/898344427.db2.gz MFQXVQDJTSMDHI-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001378765132 898406754 /nfs/dbraw/zinc/40/67/54/898406754.db2.gz QDMOXYKUKIOWQK-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378780253 898409170 /nfs/dbraw/zinc/40/91/70/898409170.db2.gz AMSQXCRUEWRKCG-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818121 898417046 /nfs/dbraw/zinc/41/70/46/898417046.db2.gz ZQIFSGJMBPVZMG-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCC(N)=O)C1CC1 ZINC001379027468 898450335 /nfs/dbraw/zinc/45/03/35/898450335.db2.gz SLTSJBUEGZDZDW-LLVKDONJSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001379059230 898454009 /nfs/dbraw/zinc/45/40/09/898454009.db2.gz QGNJRIVYRWRUKL-ZDUSSCGKSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001379100313 898465907 /nfs/dbraw/zinc/46/59/07/898465907.db2.gz GGVFKSNGAVOXRQ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001379134324 898472877 /nfs/dbraw/zinc/47/28/77/898472877.db2.gz JFCOEEBOPHQNMQ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001379134324 898472882 /nfs/dbraw/zinc/47/28/82/898472882.db2.gz JFCOEEBOPHQNMQ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N(C)C ZINC001379199114 898501820 /nfs/dbraw/zinc/50/18/20/898501820.db2.gz PODDTMMWVHIQPT-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001379384491 898591764 /nfs/dbraw/zinc/59/17/64/898591764.db2.gz VVPWLZHONWUDTI-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001379446492 898616522 /nfs/dbraw/zinc/61/65/22/898616522.db2.gz CDZYKDAYZOGIGR-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001379471080 898628754 /nfs/dbraw/zinc/62/87/54/898628754.db2.gz ZZEVBCKPXXCCBW-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001379549052 898663750 /nfs/dbraw/zinc/66/37/50/898663750.db2.gz AGCXQFORHQNIIU-RWMBFGLXSA-N 1 3 287.404 -0.570 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001379555159 898666365 /nfs/dbraw/zinc/66/63/65/898666365.db2.gz ZMWSNFBDYDOFKV-NSHDSACASA-N 1 3 286.420 -0.195 20 0 CBADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379594115 898676668 /nfs/dbraw/zinc/67/66/68/898676668.db2.gz ACVPTKXUSDSCAU-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379594115 898676673 /nfs/dbraw/zinc/67/66/73/898676673.db2.gz ACVPTKXUSDSCAU-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001379893192 898756258 /nfs/dbraw/zinc/75/62/58/898756258.db2.gz LEYJCUZTUKQVFC-PWSUYJOCSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001379901024 898756360 /nfs/dbraw/zinc/75/63/60/898756360.db2.gz XJBBHYQQRYBGSF-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087504 898802797 /nfs/dbraw/zinc/80/27/97/898802797.db2.gz CYNZJEWZJFGPAU-NWDGAFQWSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087504 898802814 /nfs/dbraw/zinc/80/28/14/898802814.db2.gz CYNZJEWZJFGPAU-NWDGAFQWSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001380287526 898851859 /nfs/dbraw/zinc/85/18/59/898851859.db2.gz AMDKIDZUQOYORF-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001380287528 898852060 /nfs/dbraw/zinc/85/20/60/898852060.db2.gz AMDKIDZUQOYORF-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001380287529 898852342 /nfs/dbraw/zinc/85/23/42/898852342.db2.gz AMDKIDZUQOYORF-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380423027 898874156 /nfs/dbraw/zinc/87/41/56/898874156.db2.gz NABUKDKSNUNWNO-AWEZNQCLSA-N 1 3 293.371 -0.474 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380572411 898904178 /nfs/dbraw/zinc/90/41/78/898904178.db2.gz MIBOCWOVFWARQT-TZMCWYRMSA-N 1 3 285.388 -0.863 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380572411 898904187 /nfs/dbraw/zinc/90/41/87/898904187.db2.gz MIBOCWOVFWARQT-TZMCWYRMSA-N 1 3 285.388 -0.863 20 0 CBADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(N)=O ZINC001381484076 899059187 /nfs/dbraw/zinc/05/91/87/899059187.db2.gz XHUQNTUWOKTULR-JTQLQIEISA-N 1 3 295.387 -0.100 20 0 CBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(N)=O ZINC001382114701 899160521 /nfs/dbraw/zinc/16/05/21/899160521.db2.gz DIPHBIZNOKSNAD-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001382163988 899167227 /nfs/dbraw/zinc/16/72/27/899167227.db2.gz RMOCUXZSJUBJAX-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001382163045 899167571 /nfs/dbraw/zinc/16/75/71/899167571.db2.gz VSIUZESNFQTXFV-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315097 899248063 /nfs/dbraw/zinc/24/80/63/899248063.db2.gz LOOGPWGZBDVPLK-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385069378 899544302 /nfs/dbraw/zinc/54/43/02/899544302.db2.gz MIOQBVCZDCZZAM-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001387855841 899842795 /nfs/dbraw/zinc/84/27/95/899842795.db2.gz QCBSGIRHLAKWSV-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001389266666 899981249 /nfs/dbraw/zinc/98/12/49/899981249.db2.gz SVVULVUGYSXEPN-SNVBAGLBSA-N 1 3 295.387 -0.167 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001389626111 900052100 /nfs/dbraw/zinc/05/21/00/900052100.db2.gz ACCYBXWPBXXSEY-NSHDSACASA-N 1 3 270.377 -0.832 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001389728658 900060967 /nfs/dbraw/zinc/06/09/67/900060967.db2.gz ZKUZYKWVQIDTDX-GFCCVEGCSA-N 1 3 293.371 -0.379 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001389806898 900077525 /nfs/dbraw/zinc/07/75/25/900077525.db2.gz ZOECJNRNVMDXOL-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001389806898 900077537 /nfs/dbraw/zinc/07/75/37/900077537.db2.gz ZOECJNRNVMDXOL-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001390391139 900150552 /nfs/dbraw/zinc/15/05/52/900150552.db2.gz ABLLKDAUYOPJHP-AAEUAGOBSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001390391139 900150557 /nfs/dbraw/zinc/15/05/57/900150557.db2.gz ABLLKDAUYOPJHP-AAEUAGOBSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001390391145 900151175 /nfs/dbraw/zinc/15/11/75/900151175.db2.gz ABLLKDAUYOPJHP-WCQYABFASA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001390391145 900151184 /nfs/dbraw/zinc/15/11/84/900151184.db2.gz ABLLKDAUYOPJHP-WCQYABFASA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390411556 900155891 /nfs/dbraw/zinc/15/58/91/900155891.db2.gz XLRFFAFMLJERFG-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001390411556 900155897 /nfs/dbraw/zinc/15/58/97/900155897.db2.gz XLRFFAFMLJERFG-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390463723 900166552 /nfs/dbraw/zinc/16/65/52/900166552.db2.gz OWPDLMXSBRJGEV-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390517547 900179905 /nfs/dbraw/zinc/17/99/05/900179905.db2.gz YXLBWFRQAZVAOK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390517547 900179912 /nfs/dbraw/zinc/17/99/12/900179912.db2.gz YXLBWFRQAZVAOK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522578 900180374 /nfs/dbraw/zinc/18/03/74/900180374.db2.gz RWHGUZNHGRCLPF-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522578 900180380 /nfs/dbraw/zinc/18/03/80/900180380.db2.gz RWHGUZNHGRCLPF-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001390510071 900181499 /nfs/dbraw/zinc/18/14/99/900181499.db2.gz OEIWDOKNXDBIOF-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390535297 900183650 /nfs/dbraw/zinc/18/36/50/900183650.db2.gz DGKKPPNMPQYYPX-NEPJUHHUSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391091090 900309186 /nfs/dbraw/zinc/30/91/86/900309186.db2.gz BSVOZQJBYYPTBM-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001391199894 900334443 /nfs/dbraw/zinc/33/44/43/900334443.db2.gz HQEFPLNYZDOSFG-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001391696133 900436287 /nfs/dbraw/zinc/43/62/87/900436287.db2.gz OSJJPOUEVUSVCB-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)N(C)C ZINC001391726170 900437525 /nfs/dbraw/zinc/43/75/25/900437525.db2.gz VLIATKAESWKXIT-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001391726168 900437641 /nfs/dbraw/zinc/43/76/41/900437641.db2.gz VLIATKAESWKXIT-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001391808140 900450686 /nfs/dbraw/zinc/45/06/86/900450686.db2.gz UWVQJUDZWSWVFZ-AWEZNQCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001391808144 900451047 /nfs/dbraw/zinc/45/10/47/900451047.db2.gz UWVQJUDZWSWVFZ-CQSZACIVSA-N 1 3 284.404 -0.314 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001391862481 900453136 /nfs/dbraw/zinc/45/31/36/900453136.db2.gz ZTWCPFANHGCVOQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001391862481 900453141 /nfs/dbraw/zinc/45/31/41/900453141.db2.gz ZTWCPFANHGCVOQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001391862491 900453465 /nfs/dbraw/zinc/45/34/65/900453465.db2.gz NPXWHGDXIYPWSF-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCNC1=O ZINC001391927269 900463304 /nfs/dbraw/zinc/46/33/04/900463304.db2.gz VRMLLRIGGQCOGG-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N(C)C ZINC001391909660 900464631 /nfs/dbraw/zinc/46/46/31/900464631.db2.gz BISKUKGSWDNTGJ-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC ZINC001392116223 900515502 /nfs/dbraw/zinc/51/55/02/900515502.db2.gz JJEKATSUPVNPGV-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC ZINC001392116223 900515513 /nfs/dbraw/zinc/51/55/13/900515513.db2.gz JJEKATSUPVNPGV-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392132297 900520269 /nfs/dbraw/zinc/52/02/69/900520269.db2.gz LFJYZAFCFZNOOE-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392132297 900520278 /nfs/dbraw/zinc/52/02/78/900520278.db2.gz LFJYZAFCFZNOOE-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCCN1C ZINC001392437392 900617093 /nfs/dbraw/zinc/61/70/93/900617093.db2.gz BWMOCRUVIUQHQX-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001392455129 900621656 /nfs/dbraw/zinc/62/16/56/900621656.db2.gz RNXNANQMYNLRFZ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001392504059 900638863 /nfs/dbraw/zinc/63/88/63/900638863.db2.gz GMDNALLABFYEHK-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001392589627 900670997 /nfs/dbraw/zinc/67/09/97/900670997.db2.gz AGCXQFORHQNIIU-AGIUHOORSA-N 1 3 287.404 -0.570 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806522 900727529 /nfs/dbraw/zinc/72/75/29/900727529.db2.gz XUFNZLIHKSTZEK-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806522 900727537 /nfs/dbraw/zinc/72/75/37/900727537.db2.gz XUFNZLIHKSTZEK-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1 ZINC001392789707 900729291 /nfs/dbraw/zinc/72/92/91/900729291.db2.gz UFNZSNIOECEQAS-LBPRGKRZSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001392822465 900734708 /nfs/dbraw/zinc/73/47/08/900734708.db2.gz GZELUMCKVNDZHJ-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001392822465 900734717 /nfs/dbraw/zinc/73/47/17/900734717.db2.gz GZELUMCKVNDZHJ-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001392964631 900769399 /nfs/dbraw/zinc/76/93/99/900769399.db2.gz VKANGTCKJRCKIM-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393058407 900786628 /nfs/dbraw/zinc/78/66/28/900786628.db2.gz YMGWTAOSUHNYBL-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393058407 900786639 /nfs/dbraw/zinc/78/66/39/900786639.db2.gz YMGWTAOSUHNYBL-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001393143614 900800773 /nfs/dbraw/zinc/80/07/73/900800773.db2.gz LSPFMTYWGRCZHM-IUODEOHRSA-N 1 3 296.415 -0.345 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001393250433 900813952 /nfs/dbraw/zinc/81/39/52/900813952.db2.gz PLXDXQZPHAORPI-UMVBOHGHSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001393250433 900813956 /nfs/dbraw/zinc/81/39/56/900813956.db2.gz PLXDXQZPHAORPI-UMVBOHGHSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)N(C)C ZINC001393704659 900896800 /nfs/dbraw/zinc/89/68/00/900896800.db2.gz AZHAYERKEGWXGC-GXTWGEPZSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(N)=O ZINC001393746408 900903419 /nfs/dbraw/zinc/90/34/19/900903419.db2.gz JAVYYHOHKKAMKN-MNOVXSKESA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001393824055 900913886 /nfs/dbraw/zinc/91/38/86/900913886.db2.gz AIXYMALRRQDARU-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001393829466 900913934 /nfs/dbraw/zinc/91/39/34/900913934.db2.gz COMJJKMPPBNISA-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001394004974 900948324 /nfs/dbraw/zinc/94/83/24/900948324.db2.gz URYHNPJPNTXNTF-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001394050685 900958367 /nfs/dbraw/zinc/95/83/67/900958367.db2.gz FXUJMDPOIPDZPX-CYBMUJFWSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001394377912 901023336 /nfs/dbraw/zinc/02/33/36/901023336.db2.gz YXTJZHCRBXZTIT-HAQNSBGRSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438379 901026944 /nfs/dbraw/zinc/02/69/44/901026944.db2.gz DXEFGRWFAFTLCO-AAEUAGOBSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(N)=O ZINC001394507115 901043389 /nfs/dbraw/zinc/04/33/89/901043389.db2.gz SYUPOXUNJGTIAH-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394536652 901047441 /nfs/dbraw/zinc/04/74/41/901047441.db2.gz JQEWBMAXZBJOJP-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394536652 901047462 /nfs/dbraw/zinc/04/74/62/901047462.db2.gz JQEWBMAXZBJOJP-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394536657 901048081 /nfs/dbraw/zinc/04/80/81/901048081.db2.gz JQEWBMAXZBJOJP-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394536657 901048084 /nfs/dbraw/zinc/04/80/84/901048084.db2.gz JQEWBMAXZBJOJP-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001394670398 901115145 /nfs/dbraw/zinc/11/51/45/901115145.db2.gz LZDIBNLQYXVRSJ-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1C ZINC001394681955 901120045 /nfs/dbraw/zinc/12/00/45/901120045.db2.gz UYAWHBDJSZNGAG-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)N(C)C ZINC001394780007 901155823 /nfs/dbraw/zinc/15/58/23/901155823.db2.gz CPSBWTPTLGNJIW-NEPJUHHUSA-N 1 3 275.393 -0.930 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)N(C)C ZINC001394780007 901155829 /nfs/dbraw/zinc/15/58/29/901155829.db2.gz CPSBWTPTLGNJIW-NEPJUHHUSA-N 1 3 275.393 -0.930 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)N(C)C ZINC001394780011 901155571 /nfs/dbraw/zinc/15/55/71/901155571.db2.gz CPSBWTPTLGNJIW-NWDGAFQWSA-N 1 3 275.393 -0.930 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)N(C)C ZINC001394780011 901155574 /nfs/dbraw/zinc/15/55/74/901155574.db2.gz CPSBWTPTLGNJIW-NWDGAFQWSA-N 1 3 275.393 -0.930 20 0 CBADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001394852578 901164946 /nfs/dbraw/zinc/16/49/46/901164946.db2.gz WEVOXPGLHDHXQY-HTAVTVPLSA-N 1 3 282.388 -0.594 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396938329 901349517 /nfs/dbraw/zinc/34/95/17/901349517.db2.gz KKBXOLNWHMFWPW-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001397066626 901363379 /nfs/dbraw/zinc/36/33/79/901363379.db2.gz XJXBLMVFJSNEPA-WUHRBBMRSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001397736470 901447194 /nfs/dbraw/zinc/44/71/94/901447194.db2.gz ZHMPCTRVWZLCIR-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436110 901538230 /nfs/dbraw/zinc/53/82/30/901538230.db2.gz MBUXLAODFCXDQX-JQWIXIFHSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001398444673 901540825 /nfs/dbraw/zinc/54/08/25/901540825.db2.gz HSCIKZDGYIPGIP-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398536298 901549629 /nfs/dbraw/zinc/54/96/29/901549629.db2.gz WAAWEDRMWJNNLF-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001398534864 901550946 /nfs/dbraw/zinc/55/09/46/901550946.db2.gz UKYCCNRXPLPVGZ-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001398526724 901551440 /nfs/dbraw/zinc/55/14/40/901551440.db2.gz CEERSULUDJUWBI-AVGNSLFASA-N 1 3 287.404 -0.476 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001398551544 901558524 /nfs/dbraw/zinc/55/85/24/901558524.db2.gz DQTXIFMSVUHXCP-XDQVBPFNSA-N 1 3 299.415 -0.428 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398605542 901572782 /nfs/dbraw/zinc/57/27/82/901572782.db2.gz PKTBXNICPGEMSM-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398605542 901572786 /nfs/dbraw/zinc/57/27/86/901572786.db2.gz PKTBXNICPGEMSM-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001398665384 901584445 /nfs/dbraw/zinc/58/44/45/901584445.db2.gz LCORCVYAQLILSO-GRYCIOLGSA-N 1 3 282.388 -0.548 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001398667110 901587089 /nfs/dbraw/zinc/58/70/89/901587089.db2.gz CQUWPGVKDIZOHG-SDDRHHMPSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001398721171 901596949 /nfs/dbraw/zinc/59/69/49/901596949.db2.gz BRSNICHFXAGYBA-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001398743032 901600595 /nfs/dbraw/zinc/60/05/95/901600595.db2.gz OCGJRTGUNLHJMV-GHMZBOCLSA-N 1 3 293.371 -0.346 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399122349 901669581 /nfs/dbraw/zinc/66/95/81/901669581.db2.gz QXDWMCZAIOFNEP-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399122349 901669587 /nfs/dbraw/zinc/66/95/87/901669587.db2.gz QXDWMCZAIOFNEP-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001399163390 901676104 /nfs/dbraw/zinc/67/61/04/901676104.db2.gz NQESKRPLJXJEDA-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001399172790 901680637 /nfs/dbraw/zinc/68/06/37/901680637.db2.gz LDKFONCWFIOSNH-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001399245879 901686053 /nfs/dbraw/zinc/68/60/53/901686053.db2.gz PFYKKQZLWMHTKS-CYBMUJFWSA-N 1 3 296.415 -0.358 20 0 CBADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399971387 901845223 /nfs/dbraw/zinc/84/52/23/901845223.db2.gz GZJLYMSALMGLMZ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399971387 901845229 /nfs/dbraw/zinc/84/52/29/901845229.db2.gz GZJLYMSALMGLMZ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001400054862 901867074 /nfs/dbraw/zinc/86/70/74/901867074.db2.gz MQBNKGNCQHGIHH-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001400054862 901867081 /nfs/dbraw/zinc/86/70/81/901867081.db2.gz MQBNKGNCQHGIHH-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001400065970 901869214 /nfs/dbraw/zinc/86/92/14/901869214.db2.gz FQDNSXXVFQPWGF-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001400063715 901870691 /nfs/dbraw/zinc/87/06/91/901870691.db2.gz FYDRHLSJKSPXRV-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CN(CC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001400245285 901903060 /nfs/dbraw/zinc/90/30/60/901903060.db2.gz GZHPIFIVZPEBQA-ZDUSSCGKSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(CC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001400245285 901903071 /nfs/dbraw/zinc/90/30/71/901903071.db2.gz GZHPIFIVZPEBQA-ZDUSSCGKSA-N 1 3 296.415 -0.406 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001400660903 901990591 /nfs/dbraw/zinc/99/05/91/901990591.db2.gz GGMVFBLNNOSWPW-AAVRWANBSA-N 1 3 299.415 -0.476 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001400660903 901990605 /nfs/dbraw/zinc/99/06/05/901990605.db2.gz GGMVFBLNNOSWPW-AAVRWANBSA-N 1 3 299.415 -0.476 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCNC1=O ZINC001400841145 902025377 /nfs/dbraw/zinc/02/53/77/902025377.db2.gz BKEKMVSBUURXMD-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC ZINC001400873377 902031710 /nfs/dbraw/zinc/03/17/10/902031710.db2.gz ZRXHHPCGBJMFIY-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001401106561 902054687 /nfs/dbraw/zinc/05/46/87/902054687.db2.gz JFVRBZPIZSQXBS-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401117672 902056947 /nfs/dbraw/zinc/05/69/47/902056947.db2.gz WRLRDSJEIYQKCI-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001401259947 902094425 /nfs/dbraw/zinc/09/44/25/902094425.db2.gz VQEGSYKKBRYYAO-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401266416 902094521 /nfs/dbraw/zinc/09/45/21/902094521.db2.gz LZKBVOLKKZSXLB-GFCCVEGCSA-N 1 3 286.420 -0.149 20 0 CBADHO Cc1nc([C@@H](C)NC[C@H](O)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001401562116 902169234 /nfs/dbraw/zinc/16/92/34/902169234.db2.gz SZQMRRVJIDEJKK-KOLCDFICSA-N 1 3 298.391 -0.807 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401607727 902184996 /nfs/dbraw/zinc/18/49/96/902184996.db2.gz HCIPOWZRGMTKNO-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401607727 902185002 /nfs/dbraw/zinc/18/50/02/902185002.db2.gz HCIPOWZRGMTKNO-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401607729 902186350 /nfs/dbraw/zinc/18/63/50/902186350.db2.gz HCIPOWZRGMTKNO-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401607729 902186352 /nfs/dbraw/zinc/18/63/52/902186352.db2.gz HCIPOWZRGMTKNO-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001401609654 902187909 /nfs/dbraw/zinc/18/79/09/902187909.db2.gz LFJANGKTVMSJKN-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001401646469 902203320 /nfs/dbraw/zinc/20/33/20/902203320.db2.gz HELDWSPEAQKFFZ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001401653104 902208650 /nfs/dbraw/zinc/20/86/50/902208650.db2.gz KWDSWMMUWRMIKW-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001401653104 902208660 /nfs/dbraw/zinc/20/86/60/902208660.db2.gz KWDSWMMUWRMIKW-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401670846 902219816 /nfs/dbraw/zinc/21/98/16/902219816.db2.gz RNYFKLYSMWVLNB-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401670846 902219831 /nfs/dbraw/zinc/21/98/31/902219831.db2.gz RNYFKLYSMWVLNB-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001401679128 902227751 /nfs/dbraw/zinc/22/77/51/902227751.db2.gz FCBNNAFNFYSYRV-TZMCWYRMSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001401688752 902231154 /nfs/dbraw/zinc/23/11/54/902231154.db2.gz VDFRFIQGODHBJU-AVGNSLFASA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401704682 902241795 /nfs/dbraw/zinc/24/17/95/902241795.db2.gz BFTJRTAPXJSTEQ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001401847171 902288256 /nfs/dbraw/zinc/28/82/56/902288256.db2.gz VPEPHDFKTMPEQW-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001401847171 902288276 /nfs/dbraw/zinc/28/82/76/902288276.db2.gz VPEPHDFKTMPEQW-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001401965245 902326389 /nfs/dbraw/zinc/32/63/89/902326389.db2.gz LACGTCXOEZILDG-LLVKDONJSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001401965246 902327634 /nfs/dbraw/zinc/32/76/34/902327634.db2.gz LACGTCXOEZILDG-NSHDSACASA-N 1 3 296.415 -0.027 20 0 CBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402059706 902345453 /nfs/dbraw/zinc/34/54/53/902345453.db2.gz MRNMCWIMMOYMOG-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001402058922 902348051 /nfs/dbraw/zinc/34/80/51/902348051.db2.gz PSRKAZKVWJADNQ-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001402463127 902456492 /nfs/dbraw/zinc/45/64/92/902456492.db2.gz QCVMAJZHGJLEEB-YPMHNXCESA-N 1 3 294.399 -0.593 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001402463127 902456499 /nfs/dbraw/zinc/45/64/99/902456499.db2.gz QCVMAJZHGJLEEB-YPMHNXCESA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001402453632 902456899 /nfs/dbraw/zinc/45/68/99/902456899.db2.gz WRCSFPHQAGPACT-AGIUHOORSA-N 1 3 298.431 -0.006 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001402514274 902469251 /nfs/dbraw/zinc/46/92/51/902469251.db2.gz VRLZBPXMTXTMPM-ZDEQEGDKSA-N 1 3 298.431 -0.056 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402794406 902523346 /nfs/dbraw/zinc/52/33/46/902523346.db2.gz PKJJPAOANKPJGE-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001402824856 902528889 /nfs/dbraw/zinc/52/88/89/902528889.db2.gz XHNPYGMTXNLFSZ-XQQFMLRXSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402908712 902560554 /nfs/dbraw/zinc/56/05/54/902560554.db2.gz QAFWVZOAQHTZTR-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402908712 902560564 /nfs/dbraw/zinc/56/05/64/902560564.db2.gz QAFWVZOAQHTZTR-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001402995345 902587443 /nfs/dbraw/zinc/58/74/43/902587443.db2.gz GWIDKGJNOOXFHU-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001403083438 902608761 /nfs/dbraw/zinc/60/87/61/902608761.db2.gz LFDKDBYTQBJDJE-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403074562 902610073 /nfs/dbraw/zinc/61/00/73/902610073.db2.gz YARGQVBZBBXLLC-WDEREUQCSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001403089289 902612193 /nfs/dbraw/zinc/61/21/93/902612193.db2.gz HMYFRHQNJGRLMQ-OLZOCXBDSA-N 1 3 296.419 -0.041 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001403168067 902633885 /nfs/dbraw/zinc/63/38/85/902633885.db2.gz OYMKHXRZFGZKDF-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001403213765 902650731 /nfs/dbraw/zinc/65/07/31/902650731.db2.gz SGTCLXLNCNUZBK-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001403217661 902651348 /nfs/dbraw/zinc/65/13/48/902651348.db2.gz VVZBHPXDQFNRSC-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279466 902662311 /nfs/dbraw/zinc/66/23/11/902662311.db2.gz COLPQBXRJVMVMI-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001403486963 902698646 /nfs/dbraw/zinc/69/86/46/902698646.db2.gz LXXUVKMSIODBSG-GHMZBOCLSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[C@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593138 902744060 /nfs/dbraw/zinc/74/40/60/902744060.db2.gz DGACPEILLHNRPX-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001403618776 902750496 /nfs/dbraw/zinc/75/04/96/902750496.db2.gz PHAFDTOECUPYPN-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001404321938 902974646 /nfs/dbraw/zinc/97/46/46/902974646.db2.gz PAWWCGUNFAPTDZ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001404519094 902994538 /nfs/dbraw/zinc/99/45/38/902994538.db2.gz PBPUVLVIPZYJBT-STQMWFEESA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001404519094 902994543 /nfs/dbraw/zinc/99/45/43/902994543.db2.gz PBPUVLVIPZYJBT-STQMWFEESA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001404521861 902994947 /nfs/dbraw/zinc/99/49/47/902994947.db2.gz WIAMUSSUWFWJKM-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001404521861 902994964 /nfs/dbraw/zinc/99/49/64/902994964.db2.gz WIAMUSSUWFWJKM-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001404519088 902996384 /nfs/dbraw/zinc/99/63/84/902996384.db2.gz PBPUVLVIPZYJBT-OLZOCXBDSA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001404519088 902996395 /nfs/dbraw/zinc/99/63/95/902996395.db2.gz PBPUVLVIPZYJBT-OLZOCXBDSA-N 1 3 296.415 -0.358 20 0 CBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC ZINC001405287888 903137717 /nfs/dbraw/zinc/13/77/17/903137717.db2.gz JMPZJICIZBFZME-DGCLKSJQSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357044 903155291 /nfs/dbraw/zinc/15/52/91/903155291.db2.gz ZKBOQTYZLZFPDN-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357044 903155299 /nfs/dbraw/zinc/15/52/99/903155299.db2.gz ZKBOQTYZLZFPDN-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357006 903155426 /nfs/dbraw/zinc/15/54/26/903155426.db2.gz ZKBOQTYZLZFPDN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001405357006 903155433 /nfs/dbraw/zinc/15/54/33/903155433.db2.gz ZKBOQTYZLZFPDN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(N)=O ZINC001405694269 903200804 /nfs/dbraw/zinc/20/08/04/903200804.db2.gz TUTCVJMJVQGWAE-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001405720233 903207479 /nfs/dbraw/zinc/20/74/79/903207479.db2.gz QODSOIBGKXTCOW-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001405723869 903208251 /nfs/dbraw/zinc/20/82/51/903208251.db2.gz VRTZPTROMLCGPV-VXGBXAGGSA-N 1 3 286.420 -0.197 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1CCCCN1C ZINC001406320346 903354837 /nfs/dbraw/zinc/35/48/37/903354837.db2.gz GMGUCKAUDXCYKL-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001406336013 903365891 /nfs/dbraw/zinc/36/58/91/903365891.db2.gz WPZDSXJQHFCAFA-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001406357839 903372490 /nfs/dbraw/zinc/37/24/90/903372490.db2.gz CQLHQLZTTHBNSJ-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CN[C@H]1CCNC1=O)[NH+](C)C ZINC001406371475 903376212 /nfs/dbraw/zinc/37/62/12/903376212.db2.gz XLZLGKFVXVJOJN-WOPDTQHZSA-N 1 3 284.404 -0.445 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406394979 903390582 /nfs/dbraw/zinc/39/05/82/903390582.db2.gz WHLYIIONCYMPJG-NEPJUHHUSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001406430536 903398216 /nfs/dbraw/zinc/39/82/16/903398216.db2.gz MMGIYVWRMWTIII-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO Cc1nc(CNC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001406542032 903427125 /nfs/dbraw/zinc/42/71/25/903427125.db2.gz DWDVGPLCJJDXCC-JTQLQIEISA-N 1 3 292.387 -0.197 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001406563619 903432942 /nfs/dbraw/zinc/43/29/42/903432942.db2.gz SGDSNKHDACQEEK-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406764450 903476343 /nfs/dbraw/zinc/47/63/43/903476343.db2.gz SHKYWNRNPFQOAU-OLZOCXBDSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001406780419 903479548 /nfs/dbraw/zinc/47/95/48/903479548.db2.gz PYSVDRDVIYTTFI-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001407113634 903544200 /nfs/dbraw/zinc/54/42/00/903544200.db2.gz WDIKCVHWEDKSOK-OCCSQVGLSA-N 1 3 298.431 -0.101 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC1CC1 ZINC001407124405 903548189 /nfs/dbraw/zinc/54/81/89/903548189.db2.gz VJIWRKWQKIWXNY-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CCC1 ZINC001408037618 903695227 /nfs/dbraw/zinc/69/52/27/903695227.db2.gz NJUSFRZKIOMVGC-CQSZACIVSA-N 1 3 299.415 -0.594 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001408092305 903709833 /nfs/dbraw/zinc/70/98/33/903709833.db2.gz LNKVWXCKKIWLDX-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001408283967 903741940 /nfs/dbraw/zinc/74/19/40/903741940.db2.gz ZVQRVCSNJVGYQX-GFCCVEGCSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001408336237 903754586 /nfs/dbraw/zinc/75/45/86/903754586.db2.gz SCNOSDLXTOZBJT-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409443737 903902672 /nfs/dbraw/zinc/90/26/72/903902672.db2.gz CIDZESMWXFANJT-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)C1 ZINC001409436394 903904569 /nfs/dbraw/zinc/90/45/69/903904569.db2.gz ALCHXXFBEKXTKT-LBPRGKRZSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001410220716 904049289 /nfs/dbraw/zinc/04/92/89/904049289.db2.gz KVPTULSZWWCJQJ-FDYHWXHSSA-N 1 3 296.415 -0.301 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410478856 904105955 /nfs/dbraw/zinc/10/59/55/904105955.db2.gz ATONQEJTTINSPH-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410478856 904105963 /nfs/dbraw/zinc/10/59/63/904105963.db2.gz ATONQEJTTINSPH-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001410496356 904111223 /nfs/dbraw/zinc/11/12/23/904111223.db2.gz FXRPVHJWMNIJMC-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001415259756 905593288 /nfs/dbraw/zinc/59/32/88/905593288.db2.gz YEQANDFQQICCMX-GFCCVEGCSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001416127273 905716403 /nfs/dbraw/zinc/71/64/03/905716403.db2.gz VGFXLQUKGFZOIA-UHFFFAOYSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001417980267 906132010 /nfs/dbraw/zinc/13/20/10/906132010.db2.gz ALLSIULKJWNIAM-LBPRGKRZSA-N 1 3 282.388 -0.560 20 0 CBADHO CN(C)C(=O)CN[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417991646 906132404 /nfs/dbraw/zinc/13/24/04/906132404.db2.gz ANDSDHOLQUMBKD-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001418074407 906160288 /nfs/dbraw/zinc/16/02/88/906160288.db2.gz KHRBBUAHPOROOO-JOCQHMNTSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418142986 906180741 /nfs/dbraw/zinc/18/07/41/906180741.db2.gz HUXXECFGWAXENT-NSHDSACASA-N 1 3 293.371 -0.474 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418137853 906181200 /nfs/dbraw/zinc/18/12/00/906181200.db2.gz NZGVSHVXRIBGLB-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001418232073 906228610 /nfs/dbraw/zinc/22/86/10/906228610.db2.gz BRKQOXIHIZKKHH-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418303222 906270830 /nfs/dbraw/zinc/27/08/30/906270830.db2.gz RUWGUSLDGYVDAR-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001418314127 906278323 /nfs/dbraw/zinc/27/83/23/906278323.db2.gz RGYDKIOAFOJCOK-QWRGUYRKSA-N 1 3 272.393 -0.445 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001418345801 906291265 /nfs/dbraw/zinc/29/12/65/906291265.db2.gz CWZWEANHMVAXRT-DGCLKSJQSA-N 1 3 284.404 -0.504 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccn(C)c(=O)c1 ZINC001418496382 906372562 /nfs/dbraw/zinc/37/25/62/906372562.db2.gz ZCEKGGNBQOMQCD-UHFFFAOYSA-N 1 3 294.399 -0.115 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001418707161 906454790 /nfs/dbraw/zinc/45/47/90/906454790.db2.gz ZIPXCGBXTMSNDK-GMTAPVOTSA-N 1 3 270.377 -0.704 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001418817100 906485319 /nfs/dbraw/zinc/48/53/19/906485319.db2.gz QZAZVZKHTNVGCC-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001418821635 906488280 /nfs/dbraw/zinc/48/82/80/906488280.db2.gz RRVFYNKIJIUALT-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001418821635 906488287 /nfs/dbraw/zinc/48/82/87/906488287.db2.gz RRVFYNKIJIUALT-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001418821802 906491723 /nfs/dbraw/zinc/49/17/23/906491723.db2.gz MAUJPKFBIKCNCE-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001418828685 906491852 /nfs/dbraw/zinc/49/18/52/906491852.db2.gz NGHRUBXKAPBOCK-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906690 906512032 /nfs/dbraw/zinc/51/20/32/906512032.db2.gz VSSMLDDIYFEEDY-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001419215972 906642271 /nfs/dbraw/zinc/64/22/71/906642271.db2.gz GDDRJIGPGNHIIU-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001419367384 906669617 /nfs/dbraw/zinc/66/96/17/906669617.db2.gz RPCFZCYUZVLNAX-FRRDWIJNSA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)C(N)=O ZINC001419465068 906696021 /nfs/dbraw/zinc/69/60/21/906696021.db2.gz DDYZTOGIXOMTFM-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001419513936 906708263 /nfs/dbraw/zinc/70/82/63/906708263.db2.gz IUWPDNNZDAOQGM-QNWHQSFQSA-N 1 3 296.415 -0.158 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419516834 906713460 /nfs/dbraw/zinc/71/34/60/906713460.db2.gz WLTADIXUFQGGIT-QWHCGFSZSA-N 1 3 298.431 -0.194 20 0 CBADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001419560190 906726581 /nfs/dbraw/zinc/72/65/81/906726581.db2.gz HCJQVBUHAVNBKB-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703623 906773198 /nfs/dbraw/zinc/77/31/98/906773198.db2.gz NQNRHEUCEVZLBC-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419740917 906798874 /nfs/dbraw/zinc/79/88/74/906798874.db2.gz NNXFKUKNHAULNM-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419740917 906798894 /nfs/dbraw/zinc/79/88/94/906798894.db2.gz NNXFKUKNHAULNM-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001419766016 906806985 /nfs/dbraw/zinc/80/69/85/906806985.db2.gz MQWDPUZCDUKARN-MNOVXSKESA-N 1 3 272.393 -0.363 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001419778410 906811493 /nfs/dbraw/zinc/81/14/93/906811493.db2.gz PXRQAOKKQIPSBR-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001419834250 906826688 /nfs/dbraw/zinc/82/66/88/906826688.db2.gz VYYQTVDQIWOQIX-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419848457 906833128 /nfs/dbraw/zinc/83/31/28/906833128.db2.gz JAXOEUWGHUBNKT-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905290 906856231 /nfs/dbraw/zinc/85/62/31/906856231.db2.gz QUMWITBUHYYBRA-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001420161610 906978083 /nfs/dbraw/zinc/97/80/83/906978083.db2.gz COMJJKMPPBNISA-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001420187516 906999357 /nfs/dbraw/zinc/99/93/57/906999357.db2.gz FQUXOWIMQRZTHO-GHMZBOCLSA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001420187516 906999371 /nfs/dbraw/zinc/99/93/71/906999371.db2.gz FQUXOWIMQRZTHO-GHMZBOCLSA-N 1 3 298.412 -0.339 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001420243932 907042028 /nfs/dbraw/zinc/04/20/28/907042028.db2.gz NPCWDBCDVKDUGY-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001420298987 907087901 /nfs/dbraw/zinc/08/79/01/907087901.db2.gz KIWMRNIHKVXEGT-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420329273 907104694 /nfs/dbraw/zinc/10/46/94/907104694.db2.gz LRNUGFKPVJHWGM-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420347407 907113260 /nfs/dbraw/zinc/11/32/60/907113260.db2.gz ZMWSNFBDYDOFKV-LLVKDONJSA-N 1 3 286.420 -0.195 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCC[NH+](C)C ZINC001420457991 907170658 /nfs/dbraw/zinc/17/06/58/907170658.db2.gz PODCIIQNNUILJP-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001420461447 907175050 /nfs/dbraw/zinc/17/50/50/907175050.db2.gz DJAYAMWDTUVWNI-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001421097037 907426588 /nfs/dbraw/zinc/42/65/88/907426588.db2.gz AATIGKJFBOQUSY-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(N)=O ZINC001421434923 907546549 /nfs/dbraw/zinc/54/65/49/907546549.db2.gz HNDQETOTIFSWOU-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421548772 907578802 /nfs/dbraw/zinc/57/88/02/907578802.db2.gz DNGHQVMQZOXXDM-STQMWFEESA-N 1 3 298.431 -0.242 20 0 CBADHO CNC(=O)C[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001421571914 907581223 /nfs/dbraw/zinc/58/12/23/907581223.db2.gz QOEDLCQTNOYRMW-HNNXBMFYSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001421751045 907632257 /nfs/dbraw/zinc/63/22/57/907632257.db2.gz SYLZUPSOQGLYTL-LBPRGKRZSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001421751045 907632269 /nfs/dbraw/zinc/63/22/69/907632269.db2.gz SYLZUPSOQGLYTL-LBPRGKRZSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001421829530 907656176 /nfs/dbraw/zinc/65/61/76/907656176.db2.gz MMUCQWDKFKGEBA-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001421829528 907658567 /nfs/dbraw/zinc/65/85/67/907658567.db2.gz MMUCQWDKFKGEBA-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001421924098 907682793 /nfs/dbraw/zinc/68/27/93/907682793.db2.gz CAMWOLDCUVMJFD-RYUDHWBXSA-N 1 3 286.420 -0.149 20 0 CBADHO CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001422012540 907703893 /nfs/dbraw/zinc/70/38/93/907703893.db2.gz GYINKBMXPVUEFR-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001422012538 907703914 /nfs/dbraw/zinc/70/39/14/907703914.db2.gz GYINKBMXPVUEFR-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001422111516 907722076 /nfs/dbraw/zinc/72/20/76/907722076.db2.gz XOSXMDZWSCYPMH-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422385371 907835497 /nfs/dbraw/zinc/83/54/97/907835497.db2.gz AAOZIKAYPBHZNH-GXSJLCMTSA-N 1 3 284.360 -0.638 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422390311 907840754 /nfs/dbraw/zinc/84/07/54/907840754.db2.gz QYIWUZNDRGELRG-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422509543 907902370 /nfs/dbraw/zinc/90/23/70/907902370.db2.gz GWDLHULAZUGXGM-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001422546961 907919179 /nfs/dbraw/zinc/91/91/79/907919179.db2.gz MPCCKIKIPWPVCK-IJLUTSLNSA-N 1 3 286.420 -0.069 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422549400 907919562 /nfs/dbraw/zinc/91/95/62/907919562.db2.gz KRPJQPFQTLNMLS-VOAKCMCISA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422549400 907919574 /nfs/dbraw/zinc/91/95/74/907919574.db2.gz KRPJQPFQTLNMLS-VOAKCMCISA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001422698259 907974823 /nfs/dbraw/zinc/97/48/23/907974823.db2.gz TYHLADQZMNRHED-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001502591615 921371054 /nfs/dbraw/zinc/37/10/54/921371054.db2.gz CLNWNMKOWBCOKY-SMDDNHRTSA-N 1 3 296.371 -0.724 20 0 CBADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001422997172 908073038 /nfs/dbraw/zinc/07/30/38/908073038.db2.gz CFCGMPQCNJHOPO-PWSUYJOCSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001423046371 908090959 /nfs/dbraw/zinc/09/09/59/908090959.db2.gz ADWKYPHCWKPPRO-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001423046371 908090976 /nfs/dbraw/zinc/09/09/76/908090976.db2.gz ADWKYPHCWKPPRO-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001423068086 908099499 /nfs/dbraw/zinc/09/94/99/908099499.db2.gz YIXZSAYXTHVZSL-LLVKDONJSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502738473 921386639 /nfs/dbraw/zinc/38/66/39/921386639.db2.gz PALGFESRVLCHNK-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001423348595 908209064 /nfs/dbraw/zinc/20/90/64/908209064.db2.gz JOMJERBJLRFTEJ-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001423451823 908244962 /nfs/dbraw/zinc/24/49/62/908244962.db2.gz MUSKXEBSGXHUNM-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001423975222 908377089 /nfs/dbraw/zinc/37/70/89/908377089.db2.gz PCFSQTHRUSKEHA-RYUDHWBXSA-N 1 3 296.415 -0.360 20 0 CBADHO CC(C)[C@H](C(=O)NCC1(NCC(N)=O)CCC1)[NH+](C)C ZINC001424207304 908422446 /nfs/dbraw/zinc/42/24/46/908422446.db2.gz OSLDDJRDANJJIS-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424297408 908440356 /nfs/dbraw/zinc/44/03/56/908440356.db2.gz QILPWFIVFHLZBE-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424815200 908508201 /nfs/dbraw/zinc/50/82/01/908508201.db2.gz DXAZJZYJDVJNRP-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424815184 908509587 /nfs/dbraw/zinc/50/95/87/908509587.db2.gz DXAZJZYJDVJNRP-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001425683380 908688572 /nfs/dbraw/zinc/68/85/72/908688572.db2.gz NPCDEEFGSYIZGF-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001426234718 908852572 /nfs/dbraw/zinc/85/25/72/908852572.db2.gz NQZRTSCAPKXUHW-BPCQOVAHSA-N 1 3 296.415 -0.252 20 0 CBADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC(N)=O ZINC001505678617 921464092 /nfs/dbraw/zinc/46/40/92/921464092.db2.gz PEZUYARUBZBOBN-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001505678615 921464492 /nfs/dbraw/zinc/46/44/92/921464492.db2.gz PEZUYARUBZBOBN-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001505868474 921491008 /nfs/dbraw/zinc/49/10/08/921491008.db2.gz ZEXYOPVYHNBGKP-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)[C@@H]1CCC[C@H]1O ZINC001434383527 910143541 /nfs/dbraw/zinc/14/35/41/910143541.db2.gz GICZDEALPMBOMA-MRVWCRGKSA-N 1 3 297.399 -0.579 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001436283190 910421986 /nfs/dbraw/zinc/42/19/86/910421986.db2.gz MQIFZJISLICLLQ-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001436361414 910434905 /nfs/dbraw/zinc/43/49/05/910434905.db2.gz VEISWJQXXIEXOE-MBNYWOFBSA-N 1 3 298.431 -0.197 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001436431699 910442178 /nfs/dbraw/zinc/44/21/78/910442178.db2.gz LQNDYFVIBAWOPO-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001436977045 910520172 /nfs/dbraw/zinc/52/01/72/910520172.db2.gz QYPHDKYKCCYZPF-XQQFMLRXSA-N 1 3 296.415 -0.158 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001436968565 910522821 /nfs/dbraw/zinc/52/28/21/910522821.db2.gz RJILIYVNNIJSRP-PHIMTYICSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCNC1=O ZINC001437245319 910597388 /nfs/dbraw/zinc/59/73/88/910597388.db2.gz ZUZBBPPUDYVSKH-GHMZBOCLSA-N 1 3 280.372 -0.935 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437249066 910599137 /nfs/dbraw/zinc/59/91/37/910599137.db2.gz OKONACYAVGCBJQ-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001437386300 910626428 /nfs/dbraw/zinc/62/64/28/910626428.db2.gz YXJOCXVQHMQGMI-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001437386302 910626979 /nfs/dbraw/zinc/62/69/79/910626979.db2.gz YXJOCXVQHMQGMI-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437404051 910629590 /nfs/dbraw/zinc/62/95/90/910629590.db2.gz QPBJFGBAJZKPTE-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437404053 910631567 /nfs/dbraw/zinc/63/15/67/910631567.db2.gz QPBJFGBAJZKPTE-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001437840450 910767824 /nfs/dbraw/zinc/76/78/24/910767824.db2.gz GACQEIOCKMFCEX-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001437858287 910770891 /nfs/dbraw/zinc/77/08/91/910770891.db2.gz OBHZLWUQKXSLCL-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001438640840 910943094 /nfs/dbraw/zinc/94/30/94/910943094.db2.gz WBLDEXKXHKLEQM-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686358 910950881 /nfs/dbraw/zinc/95/08/81/910950881.db2.gz UGTUDTPIJIGKJI-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438673576 910952455 /nfs/dbraw/zinc/95/24/55/910952455.db2.gz NBAUQRPXRNDJEI-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001438964494 911021484 /nfs/dbraw/zinc/02/14/84/911021484.db2.gz PDBWCNOVFCDGEL-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001438997847 911045839 /nfs/dbraw/zinc/04/58/39/911045839.db2.gz IHQAFUDXVAJLOU-CHWSQXEVSA-N 1 3 297.403 -0.673 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001438997851 911048814 /nfs/dbraw/zinc/04/88/14/911048814.db2.gz IHQAFUDXVAJLOU-QWHCGFSZSA-N 1 3 297.403 -0.673 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)CN1CCCC1 ZINC001439085940 911096992 /nfs/dbraw/zinc/09/69/92/911096992.db2.gz SEAMMQOIIIGJJP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141779 911114123 /nfs/dbraw/zinc/11/41/23/911114123.db2.gz DBRYZVFWGRIWTN-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001439149574 911118794 /nfs/dbraw/zinc/11/87/94/911118794.db2.gz NPQXEPLDZKHUBB-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001439149574 911118804 /nfs/dbraw/zinc/11/88/04/911118804.db2.gz NPQXEPLDZKHUBB-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001439155857 911119339 /nfs/dbraw/zinc/11/93/39/911119339.db2.gz YKWKUKFTOQNDMV-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001506896953 921635336 /nfs/dbraw/zinc/63/53/36/921635336.db2.gz DZOAOAGCHOGZEC-YVECIDJPSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001439164875 911125691 /nfs/dbraw/zinc/12/56/91/911125691.db2.gz ZFMYPSDGNLPMOD-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001439164875 911125702 /nfs/dbraw/zinc/12/57/02/911125702.db2.gz ZFMYPSDGNLPMOD-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439236169 911147215 /nfs/dbraw/zinc/14/72/15/911147215.db2.gz DOBXPPRPXANORK-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001439246427 911152877 /nfs/dbraw/zinc/15/28/77/911152877.db2.gz SIPYDNAOWNCVGG-CMPLNLGQSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001506906578 921639003 /nfs/dbraw/zinc/63/90/03/921639003.db2.gz KVSIGGJBEHOAAX-AVGNSLFASA-N 1 3 298.431 -0.055 20 0 CBADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460987 911215067 /nfs/dbraw/zinc/21/50/67/911215067.db2.gz ZBHOYYSNTVANRS-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001439460987 911215081 /nfs/dbraw/zinc/21/50/81/911215081.db2.gz ZBHOYYSNTVANRS-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001439460987 911215091 /nfs/dbraw/zinc/21/50/91/911215091.db2.gz ZBHOYYSNTVANRS-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CC[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471978 911218234 /nfs/dbraw/zinc/21/82/34/911218234.db2.gz NZFYEZXWIFALHJ-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001439781522 911289086 /nfs/dbraw/zinc/28/90/86/911289086.db2.gz FYJNDKVDFWARAX-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001439850048 911302755 /nfs/dbraw/zinc/30/27/55/911302755.db2.gz LCYCHDRIFANUHH-AWEZNQCLSA-N 1 3 294.403 -0.190 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001439905714 911313344 /nfs/dbraw/zinc/31/33/44/911313344.db2.gz CCEMRAWWJSTITB-CQSZACIVSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH+](C)CC1(C(=O)NC2(CO)CCN(CCO)CC2)CC1 ZINC001440696035 911494337 /nfs/dbraw/zinc/49/43/37/911494337.db2.gz KTDKQZRQYCHFIX-UHFFFAOYSA-N 1 3 299.415 -0.736 20 0 CBADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC(N)=O)C2)CCC1 ZINC001440757279 911504991 /nfs/dbraw/zinc/50/49/91/911504991.db2.gz GOYJNYCGZIFNLS-UHFFFAOYSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841180 911529146 /nfs/dbraw/zinc/52/91/46/911529146.db2.gz NDAPACCLENNHCW-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCNC1=O ZINC001507116426 921680716 /nfs/dbraw/zinc/68/07/16/921680716.db2.gz FULVCIIFIOMGAW-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001441439944 911669204 /nfs/dbraw/zinc/66/92/04/911669204.db2.gz NHASUJAEDRYOHH-AVGNSLFASA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507126872 921684609 /nfs/dbraw/zinc/68/46/09/921684609.db2.gz OKKYEUATCINMCM-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507126872 921684611 /nfs/dbraw/zinc/68/46/11/921684611.db2.gz OKKYEUATCINMCM-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001441613231 911715693 /nfs/dbraw/zinc/71/56/93/911715693.db2.gz CUQSWRKDESYHEF-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001441654855 911726038 /nfs/dbraw/zinc/72/60/38/911726038.db2.gz HZSQQSCZHGAWOA-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001441654855 911726051 /nfs/dbraw/zinc/72/60/51/911726051.db2.gz HZSQQSCZHGAWOA-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001441654855 911726068 /nfs/dbraw/zinc/72/60/68/911726068.db2.gz HZSQQSCZHGAWOA-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507117093 921681579 /nfs/dbraw/zinc/68/15/79/921681579.db2.gz GLKWDLLJCJJCNT-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001507161553 921690920 /nfs/dbraw/zinc/69/09/20/921690920.db2.gz LZPDXGCJJPMDQF-RYUDHWBXSA-N 1 3 286.420 -0.102 20 0 CBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001441771453 911796239 /nfs/dbraw/zinc/79/62/39/911796239.db2.gz WYYVUGVXCLJASJ-CHWSQXEVSA-N 1 3 287.404 -0.692 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001441836786 911830268 /nfs/dbraw/zinc/83/02/68/911830268.db2.gz CYOPHNMTDVVPEU-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441928110 911855130 /nfs/dbraw/zinc/85/51/30/911855130.db2.gz AHHDXRGGKULYPH-JTQLQIEISA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)N(C)C ZINC001441938727 911857160 /nfs/dbraw/zinc/85/71/60/911857160.db2.gz JGTDZSDSDXUYQZ-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001441937132 911857669 /nfs/dbraw/zinc/85/76/69/911857669.db2.gz KMISLZINEBGNRK-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCCS(C)(=O)=O ZINC001441940151 911859380 /nfs/dbraw/zinc/85/93/80/911859380.db2.gz NZLWZOOTWVBAOL-SNVBAGLBSA-N 1 3 279.406 -0.923 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001442002023 911891544 /nfs/dbraw/zinc/89/15/44/911891544.db2.gz WPHVUQIEXBWVPQ-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)N(C)C ZINC001442089832 911926915 /nfs/dbraw/zinc/92/69/15/911926915.db2.gz GQBVSDABCXBHKC-OLZOCXBDSA-N 1 3 289.420 -0.684 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)N(C)C ZINC001442089832 911926926 /nfs/dbraw/zinc/92/69/26/911926926.db2.gz GQBVSDABCXBHKC-OLZOCXBDSA-N 1 3 289.420 -0.684 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442139447 911938083 /nfs/dbraw/zinc/93/80/83/911938083.db2.gz OZTMCROGYDJKBH-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174299 911947225 /nfs/dbraw/zinc/94/72/25/911947225.db2.gz KSGRFTYIPJNBDU-QWRGUYRKSA-N 1 3 284.404 -0.456 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001442174299 911947246 /nfs/dbraw/zinc/94/72/46/911947246.db2.gz KSGRFTYIPJNBDU-QWRGUYRKSA-N 1 3 284.404 -0.456 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001443100312 912157875 /nfs/dbraw/zinc/15/78/75/912157875.db2.gz UDVUFXOKIDAZCP-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001443100312 912157885 /nfs/dbraw/zinc/15/78/85/912157885.db2.gz UDVUFXOKIDAZCP-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001443094721 912158245 /nfs/dbraw/zinc/15/82/45/912158245.db2.gz PVBTZLNOTLRGQZ-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001443108144 912160443 /nfs/dbraw/zinc/16/04/43/912160443.db2.gz XUPSICZHRAIDQT-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001443108146 912161968 /nfs/dbraw/zinc/16/19/68/912161968.db2.gz XUPSICZHRAIDQT-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001443116939 912162873 /nfs/dbraw/zinc/16/28/73/912162873.db2.gz KMPIGCXAPGDOOI-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)N(C)C ZINC001472079932 915686166 /nfs/dbraw/zinc/68/61/66/915686166.db2.gz FLZRWXJIRLGINW-JQWIXIFHSA-N 1 3 255.362 -0.084 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001472626943 915758524 /nfs/dbraw/zinc/75/85/24/915758524.db2.gz OGZJDKKTZCLYJJ-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001472626943 915758535 /nfs/dbraw/zinc/75/85/35/915758535.db2.gz OGZJDKKTZCLYJJ-KBPBESRZSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[NH+](C)C)n1 ZINC001479607041 916142546 /nfs/dbraw/zinc/14/25/46/916142546.db2.gz KDRIAILLWJWFSN-UHFFFAOYSA-N 1 3 281.360 -0.140 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001480047349 916273101 /nfs/dbraw/zinc/27/31/01/916273101.db2.gz RBRNOOBIQTZBFL-AAEUAGOBSA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001480475994 916430484 /nfs/dbraw/zinc/43/04/84/916430484.db2.gz VRGTXKRMKWBERX-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530439 916459346 /nfs/dbraw/zinc/45/93/46/916459346.db2.gz GVTNOALBTJORLX-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001480566093 916476881 /nfs/dbraw/zinc/47/68/81/916476881.db2.gz QZCHGIZMSXPLHI-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001480566093 916476895 /nfs/dbraw/zinc/47/68/95/916476895.db2.gz QZCHGIZMSXPLHI-QWRGUYRKSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001480597550 916487140 /nfs/dbraw/zinc/48/71/40/916487140.db2.gz RFTRFMJXVHDRIB-GFCCVEGCSA-N 1 3 299.419 -0.554 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001480598208 916488695 /nfs/dbraw/zinc/48/86/95/916488695.db2.gz ZDCMTDDCFJQVMO-GFCCVEGCSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001480790849 916539726 /nfs/dbraw/zinc/53/97/26/916539726.db2.gz RTGASCTYCBETHK-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CN(C)C1CCC1 ZINC001481240728 916784636 /nfs/dbraw/zinc/78/46/36/916784636.db2.gz VWAPMVGYZWMUIJ-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272438 916798395 /nfs/dbraw/zinc/79/83/95/916798395.db2.gz GHTTUXRLBMTSAJ-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC ZINC001481848752 917000983 /nfs/dbraw/zinc/00/09/83/917000983.db2.gz FBNQLMVYFPCBSM-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001482326032 917126036 /nfs/dbraw/zinc/12/60/36/917126036.db2.gz OTYNTCQTCGHHPJ-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329339 917129346 /nfs/dbraw/zinc/12/93/46/917129346.db2.gz AKHAJUKBKRHXDJ-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482329339 917129355 /nfs/dbraw/zinc/12/93/55/917129355.db2.gz AKHAJUKBKRHXDJ-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353711 917134042 /nfs/dbraw/zinc/13/40/42/917134042.db2.gz KMLSGXIVHYFVGV-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353711 917134056 /nfs/dbraw/zinc/13/40/56/917134056.db2.gz KMLSGXIVHYFVGV-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)N(C)C ZINC001482874846 917322104 /nfs/dbraw/zinc/32/21/04/917322104.db2.gz MZOCMHOQAVEGOS-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(N)=O)N(C)C ZINC001482874847 917320975 /nfs/dbraw/zinc/32/09/75/917320975.db2.gz MZOCMHOQAVEGOS-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001482945918 917345283 /nfs/dbraw/zinc/34/52/83/917345283.db2.gz BPBQODFLESBMMB-UHFFFAOYSA-N 1 3 270.377 -0.748 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009124 917375434 /nfs/dbraw/zinc/37/54/34/917375434.db2.gz RGUSMPYCAPEIMX-MRPUBWEVSA-N 1 3 282.388 -0.538 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009124 917375449 /nfs/dbraw/zinc/37/54/49/917375449.db2.gz RGUSMPYCAPEIMX-MRPUBWEVSA-N 1 3 282.388 -0.538 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054196 917393790 /nfs/dbraw/zinc/39/37/90/917393790.db2.gz KPZYOINKVAJDKX-ORAHPGNNSA-N 1 3 256.350 -0.926 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083620 917403621 /nfs/dbraw/zinc/40/36/21/917403621.db2.gz NBGLSTFKTVMHCI-MVZIDQBPSA-N 1 3 294.399 -0.521 20 0 CBADHO CC[C@@H]([NH2+]C/C=C/CNC(=O)CN1CCCC1)C(N)=O ZINC001483093630 917405453 /nfs/dbraw/zinc/40/54/53/917405453.db2.gz SARSTZHDWBVARC-AAOUONPWSA-N 1 3 282.388 -0.392 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001483137225 917430001 /nfs/dbraw/zinc/43/00/01/917430001.db2.gz NIJXKWLKXJYYIJ-PWSUYJOCSA-N 1 3 284.404 -0.171 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001483166130 917448210 /nfs/dbraw/zinc/44/82/10/917448210.db2.gz AGCXQFORHQNIIU-YNEHKIRRSA-N 1 3 287.404 -0.570 20 0 CBADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192981 917456195 /nfs/dbraw/zinc/45/61/95/917456195.db2.gz MYGPNTARRQFAIK-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483192981 917456205 /nfs/dbraw/zinc/45/62/05/917456205.db2.gz MYGPNTARRQFAIK-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001483197364 917461008 /nfs/dbraw/zinc/46/10/08/917461008.db2.gz HEOCXVIPSOAVRT-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001483197699 917462148 /nfs/dbraw/zinc/46/21/48/917462148.db2.gz PAIKYRZBJZYISA-NEPJUHHUSA-N 1 3 286.420 -0.102 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC ZINC001483232489 917485262 /nfs/dbraw/zinc/48/52/62/917485262.db2.gz DTHDQNMGRBZSII-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC ZINC001483232489 917485272 /nfs/dbraw/zinc/48/52/72/917485272.db2.gz DTHDQNMGRBZSII-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001483286129 917504711 /nfs/dbraw/zinc/50/47/11/917504711.db2.gz LNUJBZYBABTOCR-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001483286129 917504727 /nfs/dbraw/zinc/50/47/27/917504727.db2.gz LNUJBZYBABTOCR-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483285006 917507262 /nfs/dbraw/zinc/50/72/62/917507262.db2.gz XUEXBLWQYSTPLZ-QWRGUYRKSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293607 917510990 /nfs/dbraw/zinc/51/09/90/917510990.db2.gz HVXPBSLKSVYJOT-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483293607 917511003 /nfs/dbraw/zinc/51/10/03/917511003.db2.gz HVXPBSLKSVYJOT-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001483470302 917574886 /nfs/dbraw/zinc/57/48/86/917574886.db2.gz BVSNRQWUUMFFGM-RYUDHWBXSA-N 1 3 286.420 -0.116 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001483941994 917712477 /nfs/dbraw/zinc/71/24/77/917712477.db2.gz BZTCMMMISFBJFJ-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072493 917730424 /nfs/dbraw/zinc/73/04/24/917730424.db2.gz VOQVBYJUVAIYIQ-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072493 917730434 /nfs/dbraw/zinc/73/04/34/917730434.db2.gz VOQVBYJUVAIYIQ-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(N)=O ZINC001484897799 917962897 /nfs/dbraw/zinc/96/28/97/917962897.db2.gz RHULZGWTHBVPLR-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001484964446 917973336 /nfs/dbraw/zinc/97/33/36/917973336.db2.gz MCDHERFMDIOVND-UHFFFAOYSA-N 1 3 299.415 -0.592 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001485159690 918016000 /nfs/dbraw/zinc/01/60/00/918016000.db2.gz ZBVJFBZNXWNRAN-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218071 918033456 /nfs/dbraw/zinc/03/34/56/918033456.db2.gz XVNGURWTVDRQOO-NXEZZACHSA-N 1 3 268.361 -0.950 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCO ZINC001485312088 918074401 /nfs/dbraw/zinc/07/44/01/918074401.db2.gz GUYDRXAEUOILEE-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCO ZINC001485312088 918074416 /nfs/dbraw/zinc/07/44/16/918074416.db2.gz GUYDRXAEUOILEE-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001485881289 918216926 /nfs/dbraw/zinc/21/69/26/918216926.db2.gz FGZMIMIBSCKCLO-GHMZBOCLSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001485920037 918231640 /nfs/dbraw/zinc/23/16/40/918231640.db2.gz PZURDKXJIAEBCW-NEPJUHHUSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001485954935 918241212 /nfs/dbraw/zinc/24/12/12/918241212.db2.gz BIHIHTOILRBCPT-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001485954935 918241223 /nfs/dbraw/zinc/24/12/23/918241223.db2.gz BIHIHTOILRBCPT-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002360 918294066 /nfs/dbraw/zinc/29/40/66/918294066.db2.gz QHOKZSQBTMQAND-NEPJUHHUSA-N 1 3 287.404 -0.428 20 0 CBADHO C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120638 918370919 /nfs/dbraw/zinc/37/09/19/918370919.db2.gz DHUYZDYHLQZLSN-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001486220091 918386012 /nfs/dbraw/zinc/38/60/12/918386012.db2.gz XNQVLNPJGSACRK-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001490950052 918993535 /nfs/dbraw/zinc/99/35/35/918993535.db2.gz XDEYCDRXCLZXAE-AVGNSLFASA-N 1 3 296.415 -0.156 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCO ZINC001491265352 919097980 /nfs/dbraw/zinc/09/79/80/919097980.db2.gz VIWJJNHFNSLMOI-LBPRGKRZSA-N 1 3 266.345 -0.085 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001491460336 919170431 /nfs/dbraw/zinc/17/04/31/919170431.db2.gz BXAJFNNZKCTICG-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)CC[N@H+]1C ZINC001491460336 919170441 /nfs/dbraw/zinc/17/04/41/919170441.db2.gz BXAJFNNZKCTICG-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)[C@H]1CCCN1C ZINC001491502453 919184684 /nfs/dbraw/zinc/18/46/84/919184684.db2.gz VUJCDVNWTPWYBJ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)[C@H]1CCCN1C ZINC001491502453 919184691 /nfs/dbraw/zinc/18/46/91/919184691.db2.gz VUJCDVNWTPWYBJ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001491502891 919184905 /nfs/dbraw/zinc/18/49/05/919184905.db2.gz CDJHTKOSOSIVEL-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001491502891 919184912 /nfs/dbraw/zinc/18/49/12/919184912.db2.gz CDJHTKOSOSIVEL-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568118 919208671 /nfs/dbraw/zinc/20/86/71/919208671.db2.gz JKEPELDXHIGRLS-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001491568127 919206856 /nfs/dbraw/zinc/20/68/56/919206856.db2.gz JKEPELDXHIGRLS-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC[NH+](C)C ZINC001491569826 919211186 /nfs/dbraw/zinc/21/11/86/919211186.db2.gz UIBJBOOUGVYOET-LLVKDONJSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640768 919241568 /nfs/dbraw/zinc/24/15/68/919241568.db2.gz LVPQQPLUMGHIMM-LBPRGKRZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491672254 919250118 /nfs/dbraw/zinc/25/01/18/919250118.db2.gz GBMWBZPRAPKVQT-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491672254 919250126 /nfs/dbraw/zinc/25/01/26/919250126.db2.gz GBMWBZPRAPKVQT-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001491674240 919252536 /nfs/dbraw/zinc/25/25/36/919252536.db2.gz SXJCKFGGEMWUNS-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001491674240 919252549 /nfs/dbraw/zinc/25/25/49/919252549.db2.gz SXJCKFGGEMWUNS-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001492083980 919323512 /nfs/dbraw/zinc/32/35/12/919323512.db2.gz PQSHEYBIHCZOQR-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494206521 919671102 /nfs/dbraw/zinc/67/11/02/919671102.db2.gz NNZKQYBTXLGWGU-LBPRGKRZSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC ZINC001494981752 919833866 /nfs/dbraw/zinc/83/38/66/919833866.db2.gz SOVTUGDQZOTNRO-OLZOCXBDSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)NC ZINC001495049453 919851079 /nfs/dbraw/zinc/85/10/79/919851079.db2.gz JEMAMHXIKAFXOX-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001496083257 920022492 /nfs/dbraw/zinc/02/24/92/920022492.db2.gz WEJAENAPYPDVLE-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144873 920029755 /nfs/dbraw/zinc/02/97/55/920029755.db2.gz NJZRQFSAAZOLGG-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+](C)C ZINC001496144876 920031220 /nfs/dbraw/zinc/03/12/20/920031220.db2.gz NJZRQFSAAZOLGG-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146181 920033229 /nfs/dbraw/zinc/03/32/29/920033229.db2.gz XUTQBYZRTYBZGM-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001497033721 920221470 /nfs/dbraw/zinc/22/14/70/920221470.db2.gz SLZMTXUCTWLFSK-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1cncc(F)c1 ZINC001497046301 920227304 /nfs/dbraw/zinc/22/73/04/920227304.db2.gz IMCZNNBMAJGVQN-ZDUSSCGKSA-N 1 3 298.362 -0.261 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001497334503 920285862 /nfs/dbraw/zinc/28/58/62/920285862.db2.gz YEOJWXGLAWHOJN-JTQLQIEISA-N 1 3 258.366 -0.704 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C1(N(C)C)CCC1 ZINC001497400264 920304029 /nfs/dbraw/zinc/30/40/29/920304029.db2.gz CMFWZTFSBAVJRD-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[N@H+](C)CC ZINC001497478118 920310980 /nfs/dbraw/zinc/31/09/80/920310980.db2.gz RRZVMVDZHHMAFY-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[N@@H+](C)CC ZINC001497478118 920311004 /nfs/dbraw/zinc/31/10/04/920311004.db2.gz RRZVMVDZHHMAFY-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484136 920312667 /nfs/dbraw/zinc/31/26/67/920312667.db2.gz HKSDNLRWFUZONW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497484136 920312681 /nfs/dbraw/zinc/31/26/81/920312681.db2.gz HKSDNLRWFUZONW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001497650082 920359437 /nfs/dbraw/zinc/35/94/37/920359437.db2.gz NNPWIWQCXZOUFU-RRNNCXACSA-N 1 3 255.362 -0.277 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001497829451 920403643 /nfs/dbraw/zinc/40/36/43/920403643.db2.gz NGYAMTDDOYZFBU-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001497994252 920438313 /nfs/dbraw/zinc/43/83/13/920438313.db2.gz YUJZOLREJRQPKJ-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498051068 920465018 /nfs/dbraw/zinc/46/50/18/920465018.db2.gz MIRJODGGMWBGGT-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498051068 920465033 /nfs/dbraw/zinc/46/50/33/920465033.db2.gz MIRJODGGMWBGGT-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001498064089 920468323 /nfs/dbraw/zinc/46/83/23/920468323.db2.gz GXUYOWHHPOCKOC-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498064089 920468331 /nfs/dbraw/zinc/46/83/31/920468331.db2.gz GXUYOWHHPOCKOC-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001498586406 920611637 /nfs/dbraw/zinc/61/16/37/920611637.db2.gz NZBASRYMQXWZBR-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001498654632 920623612 /nfs/dbraw/zinc/62/36/12/920623612.db2.gz DXFWUGAVCGSYOY-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001498758191 920635990 /nfs/dbraw/zinc/63/59/90/920635990.db2.gz GUYROHGLPOMQDL-RAIGVLPGSA-N 1 3 296.415 -0.443 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001498758191 920636001 /nfs/dbraw/zinc/63/60/01/920636001.db2.gz GUYROHGLPOMQDL-RAIGVLPGSA-N 1 3 296.415 -0.443 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501088241 920945844 /nfs/dbraw/zinc/94/58/44/920945844.db2.gz YAFBSRPPGVEHRR-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001501083427 920946593 /nfs/dbraw/zinc/94/65/93/920946593.db2.gz IDFVBRGOOSHXHI-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@H]1C ZINC001507335811 921812417 /nfs/dbraw/zinc/81/24/17/921812417.db2.gz ZBHGVYHXADQHCE-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@H]1C ZINC001507335811 921812428 /nfs/dbraw/zinc/81/24/28/921812428.db2.gz ZBHGVYHXADQHCE-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+](C)C ZINC001507543264 921864379 /nfs/dbraw/zinc/86/43/79/921864379.db2.gz RLBXNCWTSXFYJN-NEPJUHHUSA-N 1 3 277.384 -0.049 20 0 CBADHO COCCN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](C)O ZINC001508055869 921910675 /nfs/dbraw/zinc/91/06/75/921910675.db2.gz NHTKEWYUAICRSE-ZDUSSCGKSA-N 1 3 299.415 -0.472 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC001521150714 922336043 /nfs/dbraw/zinc/33/60/43/922336043.db2.gz BOSSSWAEKXPGIQ-SNVBAGLBSA-N 1 3 257.334 -0.523 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](C)CN1 ZINC001521513923 922365893 /nfs/dbraw/zinc/36/58/93/922365893.db2.gz ZSMJPMDCAYCQRP-MDZLAQPJSA-N 1 3 255.362 -0.300 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001521740978 922376608 /nfs/dbraw/zinc/37/66/08/922376608.db2.gz RPQHWDYWYKQMBR-NWDGAFQWSA-N 1 3 266.389 -0.319 20 0 CBADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084489 922397110 /nfs/dbraw/zinc/39/71/10/922397110.db2.gz QEHBNCUPAFHOLX-UTUOFQBUSA-N 1 3 255.362 -0.300 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001522640854 922493835 /nfs/dbraw/zinc/49/38/35/922493835.db2.gz VXWVTEKAUNAXGA-LLVKDONJSA-N 1 3 256.394 -0.101 20 0 CBADHO CC1(C)CN(C(=O)c2[nH]nc3c2CNCC3)C[C@@H]1[NH3+] ZINC001522708404 922507868 /nfs/dbraw/zinc/50/78/68/922507868.db2.gz SDRYYAKUQUZWDY-JTQLQIEISA-N 1 3 263.345 -0.135 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001523066080 922568901 /nfs/dbraw/zinc/56/89/01/922568901.db2.gz DTZXFGCQNWPWIT-YNEHKIRRSA-N 1 3 267.373 -0.177 20 0 CBADHO [NH3+][C@@H]1C[C@@H](NC(=O)C[C@@H]2CNCCO2)C12CCC2 ZINC001523605991 922601204 /nfs/dbraw/zinc/60/12/04/922601204.db2.gz RBHSKUPAUMTDBF-GMTAPVOTSA-N 1 3 253.346 -0.249 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001548555143 923378455 /nfs/dbraw/zinc/37/84/55/923378455.db2.gz KBUHORRRJKKZJB-KGLIPLIRSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CC[NH2+]C[C@@H]1C(=O)Nc1cnc2c(c1)CNCC2 ZINC001548554732 923378986 /nfs/dbraw/zinc/37/89/86/923378986.db2.gz FMRIYLKTISWXHH-CYBMUJFWSA-N 1 3 275.356 -0.431 20 0 CBADHO CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1NCCc2ccccc21 ZINC001548558674 923381800 /nfs/dbraw/zinc/38/18/00/923381800.db2.gz PRPJMUOSCXEWEV-CABCVRRESA-N 1 3 288.395 -0.107 20 0 CBADHO CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CCN1 ZINC001548559912 923384629 /nfs/dbraw/zinc/38/46/29/923384629.db2.gz WYFGNJSCCDABOP-MFKMUULPSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CNCCN1C)CC[NH2+]CC2 ZINC001548563062 923385549 /nfs/dbraw/zinc/38/55/49/923385549.db2.gz KGUQJDDOWMAGET-OLZOCXBDSA-N 1 3 280.416 -0.119 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCC[C@@H]1CSCC[NH2+]1 ZINC001548562482 923385775 /nfs/dbraw/zinc/38/57/75/923385775.db2.gz DOWOPSUVEUNKSW-GHMZBOCLSA-N 1 3 273.402 -0.424 20 0 CBADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CNCCN1C)CC[NH2+]CC2 ZINC001548563053 923387617 /nfs/dbraw/zinc/38/76/17/923387617.db2.gz KGUQJDDOWMAGET-CHWSQXEVSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548566025 923389517 /nfs/dbraw/zinc/38/95/17/923389517.db2.gz RZQWZXHEHDMPEM-WDEREUQCSA-N 1 3 272.418 -0.899 20 0 CBADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC[C@H]1F ZINC001548572544 923397945 /nfs/dbraw/zinc/39/79/45/923397945.db2.gz RUBOSJCTDODXIJ-BFLSOPEQSA-N 1 3 257.309 -0.737 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC2(CNC2)O1 ZINC001548580090 923403331 /nfs/dbraw/zinc/40/33/31/923403331.db2.gz VVCFETATWABOEC-BXUZGUMPSA-N 1 3 279.384 -0.035 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583906 923406123 /nfs/dbraw/zinc/40/61/23/923406123.db2.gz FOGPWKRDCDHRIT-RYUDHWBXSA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)N1C ZINC001548711152 923472455 /nfs/dbraw/zinc/47/24/55/923472455.db2.gz SZNIFCNOOCJBAR-RFQIPJPRSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)N1C ZINC001548711152 923472460 /nfs/dbraw/zinc/47/24/60/923472460.db2.gz SZNIFCNOOCJBAR-RFQIPJPRSA-N 1 3 280.416 -0.074 20 0 CBADHO CCC[C@H](N)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549034390 923526125 /nfs/dbraw/zinc/52/61/25/923526125.db2.gz JMOFTYZXJSEAHD-SRVKXCTJSA-N 1 3 265.361 -0.199 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001549047307 923542991 /nfs/dbraw/zinc/54/29/91/923542991.db2.gz ODOCOQWFEKSDGD-VXGBXAGGSA-N 1 3 278.360 -0.348 20 0 CBADHO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCN(C)C1 ZINC001549211095 923570952 /nfs/dbraw/zinc/57/09/52/923570952.db2.gz TYTYDBMYBDJQGU-VXGBXAGGSA-N 1 3 270.377 -0.290 20 0 CBADHO C[C@H](N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729058 923633540 /nfs/dbraw/zinc/63/35/40/923633540.db2.gz XXLCKHISFPJGPM-XRNSZHNASA-N 1 3 268.361 -0.903 20 0 CBADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1C[C@H](O)C[NH2+]1 ZINC001550077246 923669627 /nfs/dbraw/zinc/66/96/27/923669627.db2.gz XKYQKSRKFJGKEK-NWDGAFQWSA-N 1 3 277.324 -0.170 20 0 CBADHO CC[C@H](N)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087463 923671500 /nfs/dbraw/zinc/67/15/00/923671500.db2.gz VDCVWGGISFVEHK-ZJUUUORDSA-N 1 3 252.322 -0.834 20 0 CBADHO CCC[C@H](N)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088494 923675395 /nfs/dbraw/zinc/67/53/95/923675395.db2.gz PUXAPKGCSOKIJI-QWRGUYRKSA-N 1 3 266.349 -0.444 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550096572 923677481 /nfs/dbraw/zinc/67/74/81/923677481.db2.gz LISYPGKNFMCJFW-RAIGVLPGSA-N 1 3 292.387 -0.150 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550096572 923677491 /nfs/dbraw/zinc/67/74/91/923677491.db2.gz LISYPGKNFMCJFW-RAIGVLPGSA-N 1 3 292.387 -0.150 20 0 CBADHO CC(C)[NH2+]CC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096597 923679799 /nfs/dbraw/zinc/67/97/99/923679799.db2.gz MRMCOJBLWOGKFZ-NSHDSACASA-N 1 3 266.349 -0.492 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550097058 923681371 /nfs/dbraw/zinc/68/13/71/923681371.db2.gz XSKDHXQSVZGLOY-GHMZBOCLSA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096995 923681606 /nfs/dbraw/zinc/68/16/06/923681606.db2.gz WPQGRGZRACTPHA-JLLWLGSASA-N 1 3 278.360 -0.634 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550114047 923686940 /nfs/dbraw/zinc/68/69/40/923686940.db2.gz HDBSNSHWBKVOMR-BFHYXJOUSA-N 1 3 275.352 -0.067 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550183995 923706773 /nfs/dbraw/zinc/70/67/73/923706773.db2.gz PPDNBOCCNCTHLW-YNEHKIRRSA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001550184543 923707049 /nfs/dbraw/zinc/70/70/49/923707049.db2.gz FBMGILUVHZCIFI-QNWHQSFQSA-N 1 3 285.388 -0.153 20 0 CBADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](CN)OC)C[C@H]2[NH3+])cc1 ZINC001550189906 923708055 /nfs/dbraw/zinc/70/80/55/923708055.db2.gz XHCLEDFJXVZARM-BFHYXJOUSA-N 1 3 293.367 -0.078 20 0 CBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CNCCO1 ZINC001550277460 923716097 /nfs/dbraw/zinc/71/60/97/923716097.db2.gz LRKLMJVQWPKVQS-WVMKXHBISA-N 1 3 282.388 -0.195 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCNC[C@@H](O)C2)C1 ZINC001550748813 923746077 /nfs/dbraw/zinc/74/60/77/923746077.db2.gz VMWPSYNBSGDMSF-NWDGAFQWSA-N 1 3 284.404 -0.260 20 0 CBADHO CCCNC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913913 923755386 /nfs/dbraw/zinc/75/53/86/923755386.db2.gz RDNFGORYAJADSH-IUODEOHRSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)[C@]12CN(CC(C)(C)[NH3+])C[C@H]1COCC2 ZINC001551408408 923777452 /nfs/dbraw/zinc/77/74/52/923777452.db2.gz KKBWGHYPCFPFBH-GXFFZTMASA-N 1 3 255.362 -0.192 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCNC[C@@H](O)C1 ZINC001551485280 923798407 /nfs/dbraw/zinc/79/84/07/923798407.db2.gz DIYNPOZSZXZESQ-MRVWCRGKSA-N 1 3 290.367 -0.413 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552159226 923839935 /nfs/dbraw/zinc/83/99/35/923839935.db2.gz VPRNOZYJGDJOOJ-AVGNSLFASA-N 1 3 267.373 -0.273 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200453 923856225 /nfs/dbraw/zinc/85/62/25/923856225.db2.gz CLKDGBLJAFYSMI-JTNHKYCSSA-N 1 3 265.357 -0.425 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001552443118 923909838 /nfs/dbraw/zinc/90/98/38/923909838.db2.gz ZMUNGKMKIJBJLX-ZJUUUORDSA-N 1 3 279.344 -0.795 20 0 CBADHO Cc1c(C(=O)N2CC[C@H](F)[C@@H](N)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552440183 923910700 /nfs/dbraw/zinc/91/07/00/923910700.db2.gz RUQQYILKVJEQQD-VWYCJHECSA-N 1 3 296.350 -0.368 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC001552694978 923916097 /nfs/dbraw/zinc/91/60/97/923916097.db2.gz CKRZWKLPFALXIR-NSHDSACASA-N 1 3 293.371 -0.405 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)CCN2C1=O ZINC001552842667 923920170 /nfs/dbraw/zinc/92/01/70/923920170.db2.gz AIRMOCPDJIEHDC-MCYUEQNJSA-N 1 3 292.383 -0.711 20 0 CBADHO C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(C)CC3)CCN1 ZINC001553353524 923958135 /nfs/dbraw/zinc/95/81/35/923958135.db2.gz GAPFUADVAKGKSG-MBNYWOFBSA-N 1 3 266.389 -0.652 20 0 CBADHO O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC001553404604 923977311 /nfs/dbraw/zinc/97/73/11/923977311.db2.gz AWUSKIYRIQOWQR-NDBYEHHHSA-N 1 3 265.357 -0.188 20 0 CBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[C@H]1F ZINC001553406265 923979850 /nfs/dbraw/zinc/97/98/50/923979850.db2.gz DOMDQNZWQCCNCR-APLZJWDSSA-N 1 3 257.309 -0.597 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553411975 923986126 /nfs/dbraw/zinc/98/61/26/923986126.db2.gz SIZMMURCQZUPGY-MROQNXINSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553411977 923986842 /nfs/dbraw/zinc/98/68/42/923986842.db2.gz SIZMMURCQZUPGY-NDBYEHHHSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553411980 923987539 /nfs/dbraw/zinc/98/75/39/923987539.db2.gz SIZMMURCQZUPGY-VOAKCMCISA-N 1 3 267.373 -0.036 20 0 CBADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC001553447657 924001253 /nfs/dbraw/zinc/00/12/53/924001253.db2.gz VRDQQFLBLQTPCH-BHPKHCPMSA-N 1 3 294.399 -0.018 20 0 CBADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553492819 924009832 /nfs/dbraw/zinc/00/98/32/924009832.db2.gz APLMOFXIZGWLCZ-HZSPNIEDSA-N 1 3 296.415 -0.164 20 0 CBADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553492834 924010449 /nfs/dbraw/zinc/01/04/49/924010449.db2.gz APLMOFXIZGWLCZ-RDBSUJKOSA-N 1 3 296.415 -0.164 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC12CCC2 ZINC001553500785 924012215 /nfs/dbraw/zinc/01/22/15/924012215.db2.gz DWOHQBBVOBWRFF-GHMZBOCLSA-N 1 3 268.361 -0.502 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553498334 924013717 /nfs/dbraw/zinc/01/37/17/924013717.db2.gz TXRVQEFKUGCGBD-AGIUHOORSA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@@H]1CNCCO1)C2 ZINC001553499981 924013918 /nfs/dbraw/zinc/01/39/18/924013918.db2.gz AFDWUYIWLYCLGU-NHCYSSNCSA-N 1 3 254.334 -0.893 20 0 CBADHO [NH3+][C@H]1CN(C(=O)NC[C@H]2CNCCO2)CC12CCOCC2 ZINC001553505846 924015491 /nfs/dbraw/zinc/01/54/91/924015491.db2.gz UFZJDNPLOQRZMG-NEPJUHHUSA-N 1 3 298.387 -0.876 20 0 CBADHO [NH3+][C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC12CCOCC2 ZINC001553505858 924015816 /nfs/dbraw/zinc/01/58/16/924015816.db2.gz UFZJDNPLOQRZMG-RYUDHWBXSA-N 1 3 298.387 -0.876 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553504959 924016236 /nfs/dbraw/zinc/01/62/36/924016236.db2.gz SYFWLYFFYPZGBH-UPJWGTAASA-N 1 3 284.404 -0.165 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553506983 924016301 /nfs/dbraw/zinc/01/63/01/924016301.db2.gz OVUIJVLYETUSMF-UPJWGTAASA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553505174 924016517 /nfs/dbraw/zinc/01/65/17/924016517.db2.gz SAKCLNFQXHTTFO-JSGCOSHPSA-N 1 3 282.388 -0.098 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553504953 924017209 /nfs/dbraw/zinc/01/72/09/924017209.db2.gz SYFWLYFFYPZGBH-FRRDWIJNSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553517617 924022229 /nfs/dbraw/zinc/02/22/29/924022229.db2.gz MMNXDVNNEQHWGZ-IGQOVBAYSA-N 1 3 296.415 -0.023 20 0 CBADHO [NH3+]CC1CC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553537178 924028086 /nfs/dbraw/zinc/02/80/86/924028086.db2.gz FUGUJBNRVSXLLO-CLRIEMFWSA-N 1 3 296.415 -0.036 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CN3CCC2CC3)C1 ZINC001553632011 924030497 /nfs/dbraw/zinc/03/04/97/924030497.db2.gz BGJZVMYPDKTQEQ-AWEZNQCLSA-N 1 3 280.416 -0.310 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CN3CCC2CC3)C1 ZINC001553632011 924030511 /nfs/dbraw/zinc/03/05/11/924030511.db2.gz BGJZVMYPDKTQEQ-AWEZNQCLSA-N 1 3 280.416 -0.310 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420024272 282089176 /nfs/dbraw/zinc/08/91/76/282089176.db2.gz XWTYNGCUTASTHN-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459898157 282089413 /nfs/dbraw/zinc/08/94/13/282089413.db2.gz OSKMLQVUSRACIQ-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2CN)CC1 ZINC000420293965 290010541 /nfs/dbraw/zinc/01/05/41/290010541.db2.gz NWSGVFSPEBEORY-CYBMUJFWSA-N 1 3 268.405 -0.036 20 0 CBADHO CN1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2CN)CC1 ZINC000420293965 290010544 /nfs/dbraw/zinc/01/05/44/290010544.db2.gz NWSGVFSPEBEORY-CYBMUJFWSA-N 1 3 268.405 -0.036 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000125413432 187183368 /nfs/dbraw/zinc/18/33/68/187183368.db2.gz KGDFGEQGPIRMFC-OUAUKWLOSA-N 1 3 266.345 -0.403 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000125629451 187193884 /nfs/dbraw/zinc/19/38/84/187193884.db2.gz NCVBWHATDCTUHS-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CC[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000378203246 529441749 /nfs/dbraw/zinc/44/17/49/529441749.db2.gz HTNNIGDGAPAWLK-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO CC[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000378203246 529441751 /nfs/dbraw/zinc/44/17/51/529441751.db2.gz HTNNIGDGAPAWLK-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+]1CCCC1 ZINC000126096347 187217083 /nfs/dbraw/zinc/21/70/83/187217083.db2.gz JMWVAJCXIZZXES-ZDUSSCGKSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126150387 187221086 /nfs/dbraw/zinc/22/10/86/187221086.db2.gz WAQJXYMAYJBAAE-BZPMIXESSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000126150387 187221088 /nfs/dbraw/zinc/22/10/88/187221088.db2.gz 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CCN1CCC(NC(=O)CN2CCC[NH2+]CC2)CC1 ZINC000061272989 351567404 /nfs/dbraw/zinc/56/74/04/351567404.db2.gz KMTWDUDNRLAEBP-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CC[C@@H](C(N)=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180198 351580368 /nfs/dbraw/zinc/58/03/68/351580368.db2.gz WSLJATVSUUFUII-UWVGGRQHSA-N 1 3 256.350 -0.963 20 0 CBADHO CNC(=O)NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174611 351635955 /nfs/dbraw/zinc/63/59/55/351635955.db2.gz YVUAMQCMEJMXFQ-VHSXEESVSA-N 1 3 256.350 -0.109 20 0 CBADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NCC(=O)OC)C1 ZINC000072859490 351651666 /nfs/dbraw/zinc/65/16/66/351651666.db2.gz QESPNZDZSDXBME-LBPRGKRZSA-N 1 3 285.388 -0.061 20 0 CBADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000072859490 351651669 /nfs/dbraw/zinc/65/16/69/351651669.db2.gz QESPNZDZSDXBME-LBPRGKRZSA-N 1 3 285.388 -0.061 20 0 CBADHO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073644083 351655290 /nfs/dbraw/zinc/65/52/90/351655290.db2.gz VTTRTZBMCXHSNX-GFCCVEGCSA-N 1 3 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282.388 -0.750 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237246599 352302315 /nfs/dbraw/zinc/30/23/15/352302315.db2.gz WIXWSRSRXBUCTD-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)CNC[C@H]1CCCO1 ZINC000237227175 352302434 /nfs/dbraw/zinc/30/24/34/352302434.db2.gz NTVGCZTXUQKSRJ-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000237241233 352302455 /nfs/dbraw/zinc/30/24/55/352302455.db2.gz QJNIYTDXZXQZSG-UHFFFAOYSA-N 1 3 292.383 -0.186 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000237435085 352305262 /nfs/dbraw/zinc/30/52/62/352305262.db2.gz OSUSZTKHKGJZNH-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000250362290 352371927 /nfs/dbraw/zinc/37/19/27/352371927.db2.gz UFGKYXCJHXBKBX-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000250362290 352371928 /nfs/dbraw/zinc/37/19/28/352371928.db2.gz UFGKYXCJHXBKBX-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000250127668 352372353 /nfs/dbraw/zinc/37/23/53/352372353.db2.gz WLZCDHRLWZABJE-FRRDWIJNSA-N 1 3 296.415 -0.489 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000252550970 352378590 /nfs/dbraw/zinc/37/85/90/352378590.db2.gz PGUDULZDOMHXST-SDDRHHMPSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252842582 352380903 /nfs/dbraw/zinc/38/09/03/352380903.db2.gz CQXDTYHJPLNBMQ-FIQHERPVSA-N 1 3 255.362 -0.051 20 0 CBADHO CN(C)Cc1ccc(S(=O)(=O)NCC[NH3+])cc1 ZINC000261714515 352394220 /nfs/dbraw/zinc/39/42/20/352394220.db2.gz QAWJWULOBXBTAH-UHFFFAOYSA-N 1 3 257.359 -0.015 20 0 CBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000261753176 352395388 /nfs/dbraw/zinc/39/53/88/352395388.db2.gz QFTIBCBKTVMCIW-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000263268630 352441260 /nfs/dbraw/zinc/44/12/60/352441260.db2.gz WDQFGHDHVYPUBS-OCCSQVGLSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000263268630 352441262 /nfs/dbraw/zinc/44/12/62/352441262.db2.gz WDQFGHDHVYPUBS-OCCSQVGLSA-N 1 3 298.431 -0.114 20 0 CBADHO COCCNC(=O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262247247 352412125 /nfs/dbraw/zinc/41/21/25/352412125.db2.gz PRJZYGAAXHSWHR-UHFFFAOYSA-N 1 3 298.431 -0.634 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263262582 352441357 /nfs/dbraw/zinc/44/13/57/352441357.db2.gz TXLGWHJSXWKBAV-JSGCOSHPSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263262582 352441359 /nfs/dbraw/zinc/44/13/59/352441359.db2.gz TXLGWHJSXWKBAV-JSGCOSHPSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263262586 352441434 /nfs/dbraw/zinc/44/14/34/352441434.db2.gz TXLGWHJSXWKBAV-OCCSQVGLSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263262586 352441435 /nfs/dbraw/zinc/44/14/35/352441435.db2.gz TXLGWHJSXWKBAV-OCCSQVGLSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262367254 352419171 /nfs/dbraw/zinc/41/91/71/352419171.db2.gz JNGOSWBUICJCFQ-MROQNXINSA-N 1 3 269.389 -0.054 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1=O ZINC000262595687 352427477 /nfs/dbraw/zinc/42/74/77/352427477.db2.gz USKRJQIBLVKVJH-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H](CNC(=O)C[NH2+]CC1CC1)CN1CCN(C)CC1 ZINC000262629336 352428495 /nfs/dbraw/zinc/42/84/95/352428495.db2.gz DDDHGKPYOVPIMQ-CYBMUJFWSA-N 1 3 282.432 -0.014 20 0 CBADHO CC[C@H]([NH3+])C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000262638011 352429152 /nfs/dbraw/zinc/42/91/52/352429152.db2.gz IPGDXLJCMXQKCP-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]1 ZINC000262892389 352435536 /nfs/dbraw/zinc/43/55/36/352435536.db2.gz OTBLMGYZEPKZEN-AGIUHOORSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037357 352404143 /nfs/dbraw/zinc/40/41/43/352404143.db2.gz KTBBJEBSCAGEAQ-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1=O ZINC000262026130 352404214 /nfs/dbraw/zinc/40/42/14/352404214.db2.gz PAAZTSJYYFVLPY-WFASDCNBSA-N 1 3 296.415 -0.406 20 0 CBADHO CN1CC[C@]2(CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC000292843013 352685663 /nfs/dbraw/zinc/68/56/63/352685663.db2.gz SIBZWTIBWWQLGF-HNNXBMFYSA-N 1 3 292.383 -0.388 20 0 CBADHO CN1CC[C@]2(CC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC000292843013 352685666 /nfs/dbraw/zinc/68/56/66/352685666.db2.gz SIBZWTIBWWQLGF-HNNXBMFYSA-N 1 3 292.383 -0.388 20 0 CBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)CNC2CC2)CC1 ZINC000305814387 352750592 /nfs/dbraw/zinc/75/05/92/352750592.db2.gz JJZMAHMBZVTUJP-ZDUSSCGKSA-N 1 3 269.389 -0.053 20 0 CBADHO Cn1nccc1CCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311915485 352772155 /nfs/dbraw/zinc/77/21/55/352772155.db2.gz ARBZICVGCHGHKD-CQSZACIVSA-N 1 3 263.389 -0.058 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332082511 352934612 /nfs/dbraw/zinc/93/46/12/352934612.db2.gz BABVXQONUWTHLU-YNEHKIRRSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@@H]1[NH3+] ZINC000332263762 352941384 /nfs/dbraw/zinc/94/13/84/352941384.db2.gz UCSLYROOHNFELN-NDBYEHHHSA-N 1 3 294.399 -0.513 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1[NH3+] ZINC000332357063 352946157 /nfs/dbraw/zinc/94/61/57/352946157.db2.gz WVHONLJPHSOCAB-NEPJUHHUSA-N 1 3 282.388 -0.654 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332570442 352967581 /nfs/dbraw/zinc/96/75/81/352967581.db2.gz CMFFHOOEMIJCTE-XQQFMLRXSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C1CC1 ZINC000333355133 353000672 /nfs/dbraw/zinc/00/06/72/353000672.db2.gz KELFHTGDQVWDKA-YJQGPUDQSA-N 1 3 252.362 -0.014 20 0 CBADHO COC(=O)CNC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152336943 188010748 /nfs/dbraw/zinc/01/07/48/188010748.db2.gz DYQGINHXUUBDBP-GFCCVEGCSA-N 1 3 285.388 -0.061 20 0 CBADHO COC(=O)CNC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152336943 188010750 /nfs/dbraw/zinc/01/07/50/188010750.db2.gz DYQGINHXUUBDBP-GFCCVEGCSA-N 1 3 285.388 -0.061 20 0 CBADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000340185251 353155042 /nfs/dbraw/zinc/15/50/42/353155042.db2.gz JTDXMVVMVCYYHJ-VXGBXAGGSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340483003 353172785 /nfs/dbraw/zinc/17/27/85/353172785.db2.gz ZWNGCGFNMBGNKK-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340483003 353172787 /nfs/dbraw/zinc/17/27/87/353172787.db2.gz ZWNGCGFNMBGNKK-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C[NH+](C)C ZINC000341230063 353206290 /nfs/dbraw/zinc/20/62/90/353206290.db2.gz OZMQEJVBKGZJRN-CHWSQXEVSA-N 1 3 298.431 -0.290 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000342761562 353231652 /nfs/dbraw/zinc/23/16/52/353231652.db2.gz XOTBDRPEGKLZDH-GFCCVEGCSA-N 1 3 269.389 -0.051 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342687089 353227108 /nfs/dbraw/zinc/22/71/08/353227108.db2.gz AUULDHMKOQCFMY-GHMZBOCLSA-N 1 3 271.361 -0.277 20 0 CBADHO CC[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343080686 353251360 /nfs/dbraw/zinc/25/13/60/353251360.db2.gz FHADRPWXUVTLGV-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000343286215 353264352 /nfs/dbraw/zinc/26/43/52/353264352.db2.gz XORIQPXPXZPCFF-MGPQQGTHSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000343286215 353264354 /nfs/dbraw/zinc/26/43/54/353264354.db2.gz XORIQPXPXZPCFF-MGPQQGTHSA-N 1 3 280.416 -0.025 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343313737 353267077 /nfs/dbraw/zinc/26/70/77/353267077.db2.gz SNUAFDUDITVNGX-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343324071 353268075 /nfs/dbraw/zinc/26/80/75/353268075.db2.gz PMJCIDPVVBPRDR-GXTWGEPZSA-N 1 3 278.400 -0.271 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343324071 353268077 /nfs/dbraw/zinc/26/80/77/353268077.db2.gz PMJCIDPVVBPRDR-GXTWGEPZSA-N 1 3 278.400 -0.271 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000343592146 353280454 /nfs/dbraw/zinc/28/04/54/353280454.db2.gz KMSCHFWEHRBNEM-YWVKMMECSA-N 1 3 256.350 -0.966 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000346227786 353367127 /nfs/dbraw/zinc/36/71/27/353367127.db2.gz QSMCKZONDSNIDT-NEPJUHHUSA-N 1 3 254.378 -0.557 20 0 CBADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346863701 353394560 /nfs/dbraw/zinc/39/45/60/353394560.db2.gz XYUWUDZNQNBZEI-DRZSPHRISA-N 1 3 292.383 -0.357 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000346536696 353382015 /nfs/dbraw/zinc/38/20/15/353382015.db2.gz TXOOOBMLRVRDBN-WCQYABFASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@@H+]1C ZINC000347993774 353404145 /nfs/dbraw/zinc/40/41/45/353404145.db2.gz BTDPZLCLHXQGMZ-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@H+]1C ZINC000347993774 353404146 /nfs/dbraw/zinc/40/41/46/353404146.db2.gz BTDPZLCLHXQGMZ-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000349983495 353469438 /nfs/dbraw/zinc/46/94/38/353469438.db2.gz BIQVDAUKGXZAJM-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCN(C)C ZINC000350998404 353475223 /nfs/dbraw/zinc/47/52/23/353475223.db2.gz NFOOHHWGNDPWIM-GFCCVEGCSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000351518590 353475919 /nfs/dbraw/zinc/47/59/19/353475919.db2.gz CRBGHLVSYSMVDF-PWSUYJOCSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000351653437 353477185 /nfs/dbraw/zinc/47/71/85/353477185.db2.gz VRQHNKKYLXQYPB-JHJVBQTASA-N 1 3 269.389 -0.054 20 0 CBADHO CNC(=O)[C@@H]1CCC[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351653437 353477187 /nfs/dbraw/zinc/47/71/87/353477187.db2.gz VRQHNKKYLXQYPB-JHJVBQTASA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N(C)C ZINC000354700562 353578904 /nfs/dbraw/zinc/57/89/04/353578904.db2.gz WYIUIMRODNYGPP-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CCN1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354700386 353578937 /nfs/dbraw/zinc/57/89/37/353578937.db2.gz ALQVWWVHCQUOFR-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]CCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357237729 353601377 /nfs/dbraw/zinc/60/13/77/353601377.db2.gz FTBXZLFEMFWUMN-LBPRGKRZSA-N 1 3 256.394 -0.404 20 0 CBADHO C[C@H](CNC(=O)C[C@@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000357249350 353602471 /nfs/dbraw/zinc/60/24/71/353602471.db2.gz SEIMIBBCWPACAT-ZIAGYGMSSA-N 1 3 298.431 -0.635 20 0 CBADHO C[C@H](C(=O)NCCN(C)C)[C@H](C)C(=O)NCC[NH+](C)C ZINC000358079787 353625111 /nfs/dbraw/zinc/62/51/11/353625111.db2.gz AJDXFTSVHMTDRV-RYUDHWBXSA-N 1 3 286.420 -0.386 20 0 CBADHO COCCN1CC[C@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358119596 353627655 /nfs/dbraw/zinc/62/76/55/353627655.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 1 3 257.378 -0.637 20 0 CBADHO COCCN1CC[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119596 353627656 /nfs/dbraw/zinc/62/76/56/353627656.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 1 3 257.378 -0.637 20 0 CBADHO CCNC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358500176 353648284 /nfs/dbraw/zinc/64/82/84/353648284.db2.gz PFZHOXZRBHBESD-UHFFFAOYSA-N 1 3 268.361 -0.092 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCSC1 ZINC000357927633 353614953 /nfs/dbraw/zinc/61/49/53/353614953.db2.gz LPBAGFVWOHHGKF-FOGDFJRCSA-N 1 3 273.402 -0.737 20 0 CBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357937471 353616132 /nfs/dbraw/zinc/61/61/32/353616132.db2.gz WSZYDKIQQXMSQB-RTXFEEFZSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@@H](O)CN1 ZINC000357937471 353616134 /nfs/dbraw/zinc/61/61/34/353616134.db2.gz WSZYDKIQQXMSQB-RTXFEEFZSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@@H](O)CN1 ZINC000357937471 353616136 /nfs/dbraw/zinc/61/61/36/353616136.db2.gz WSZYDKIQQXMSQB-RTXFEEFZSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357937470 353616223 /nfs/dbraw/zinc/61/62/23/353616223.db2.gz WSZYDKIQQXMSQB-RAIGVLPGSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@@H](O)CN1 ZINC000357937470 353616225 /nfs/dbraw/zinc/61/62/25/353616225.db2.gz WSZYDKIQQXMSQB-RAIGVLPGSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@@H](O)CN1 ZINC000357937470 353616226 /nfs/dbraw/zinc/61/62/26/353616226.db2.gz WSZYDKIQQXMSQB-RAIGVLPGSA-N 1 3 267.373 -0.158 20 0 CBADHO CCC[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367994114 353684051 /nfs/dbraw/zinc/68/40/51/353684051.db2.gz PQTHXUJHJAQJCI-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO C[NH+](C)C1(CNC(=O)[C@@]2(F)CCNC2)CCOCC1 ZINC000372105302 353710666 /nfs/dbraw/zinc/71/06/66/353710666.db2.gz JOIJKGKXFYFPIS-CYBMUJFWSA-N 1 3 273.352 -0.085 20 0 CBADHO C[NH+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000372366728 353715672 /nfs/dbraw/zinc/71/56/72/353715672.db2.gz CBTSXUVMBRSOAC-RYUDHWBXSA-N 1 3 270.377 -0.290 20 0 CBADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956063 353769937 /nfs/dbraw/zinc/76/99/37/353769937.db2.gz ADTFVIBFAAGHIA-CHWSQXEVSA-N 1 3 298.456 -0.412 20 0 CBADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000375953933 353769984 /nfs/dbraw/zinc/76/99/84/353769984.db2.gz LROBAQDEHGQHBX-IACUBPJLSA-N 1 3 275.352 -0.288 20 0 CBADHO CN1CCC[C@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377291997 353778061 /nfs/dbraw/zinc/77/80/61/353778061.db2.gz OLJFBDSPLKMBKL-RNJOBUHISA-N 1 3 267.373 -0.206 20 0 CBADHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(=O)n(C)c1=O ZINC000392296904 353792849 /nfs/dbraw/zinc/79/28/49/353792849.db2.gz UPCQDECRQLXLEO-UHFFFAOYSA-N 1 3 278.356 -0.565 20 0 CBADHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC000392296904 353792851 /nfs/dbraw/zinc/79/28/51/353792851.db2.gz UPCQDECRQLXLEO-UHFFFAOYSA-N 1 3 278.356 -0.565 20 0 CBADHO CC(C)C(=O)NCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000393188598 353792883 /nfs/dbraw/zinc/79/28/83/353792883.db2.gz VTZURRPHQIHWLR-GFCCVEGCSA-N 1 3 257.378 -0.195 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418405375 353997106 /nfs/dbraw/zinc/99/71/06/353997106.db2.gz RAGPMZGRGXQXRZ-LBPRGKRZSA-N 1 3 272.393 -0.057 20 0 CBADHO CC[N@H+](CCNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000417431885 353977523 /nfs/dbraw/zinc/97/75/23/353977523.db2.gz RZBVNEMTUAVCKV-GFCCVEGCSA-N 1 3 270.377 -0.242 20 0 CBADHO CC[N@@H+](CCNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000417431885 353977527 /nfs/dbraw/zinc/97/75/27/353977527.db2.gz RZBVNEMTUAVCKV-GFCCVEGCSA-N 1 3 270.377 -0.242 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417438950 353977621 /nfs/dbraw/zinc/97/76/21/353977621.db2.gz KGVPKFFKPGPHJX-NEPJUHHUSA-N 1 3 270.377 -0.432 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417569167 353979521 /nfs/dbraw/zinc/97/95/21/353979521.db2.gz QBONQDLTTWQKHM-NWDGAFQWSA-N 1 3 272.393 -0.009 20 0 CBADHO C[NH2+]CCNC(=O)NC[C@@H]1CCCN1CCOC ZINC000417564947 353979644 /nfs/dbraw/zinc/97/96/44/353979644.db2.gz JZDDTPFQWVOOGO-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000417581817 353979833 /nfs/dbraw/zinc/97/98/33/353979833.db2.gz GUDCORUSJLEUPJ-LBPRGKRZSA-N 1 3 272.393 -0.177 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417569168 353980028 /nfs/dbraw/zinc/98/00/28/353980028.db2.gz QBONQDLTTWQKHM-RYUDHWBXSA-N 1 3 272.393 -0.009 20 0 CBADHO C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)N(C)C1CC1 ZINC000417551282 353980094 /nfs/dbraw/zinc/98/00/94/353980094.db2.gz NVOVZYKHPNAGKW-GFCCVEGCSA-N 1 3 283.420 -0.327 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000417700709 353981303 /nfs/dbraw/zinc/98/13/03/353981303.db2.gz HGCZPNIXVZJROQ-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000417700709 353981305 /nfs/dbraw/zinc/98/13/05/353981305.db2.gz HGCZPNIXVZJROQ-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000417700709 353981307 /nfs/dbraw/zinc/98/13/07/353981307.db2.gz HGCZPNIXVZJROQ-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO COCCCN(C)CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417742479 353983488 /nfs/dbraw/zinc/98/34/88/353983488.db2.gz BDAPMSXKHYMAGM-BETUJISGSA-N 1 3 284.404 -0.185 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCCN1C ZINC000417993284 353985362 /nfs/dbraw/zinc/98/53/62/353985362.db2.gz AKBFWVQZFMSHAN-GRYCIOLGSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@@H]1NCCN(C(=O)NCCOCC[NH+](C)C)[C@H]1C ZINC000418073983 353987757 /nfs/dbraw/zinc/98/77/57/353987757.db2.gz XDYSOXCJULOVEU-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO C[NH+](C)CCOCCNC(=O)N1CCNC(C)(C)C1 ZINC000418059723 353987858 /nfs/dbraw/zinc/98/78/58/353987858.db2.gz AHWWOLXBHOFDIM-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[NH2+]CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418320212 353992801 /nfs/dbraw/zinc/99/28/01/353992801.db2.gz UCRMONADWUVQNS-ZDUSSCGKSA-N 1 3 286.420 -0.012 20 0 CBADHO C[NH2+]CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418320912 353993766 /nfs/dbraw/zinc/99/37/66/353993766.db2.gz WZYFLTRUGQTPCW-LBPRGKRZSA-N 1 3 272.393 -0.402 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328051 353993813 /nfs/dbraw/zinc/99/38/13/353993813.db2.gz AJXZSJWTUFHFLZ-OLZOCXBDSA-N 1 3 286.420 -0.012 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328055 353993881 /nfs/dbraw/zinc/99/38/81/353993881.db2.gz AJXZSJWTUFHFLZ-QWHCGFSZSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1CCC[NH2+]C1 ZINC000418375629 353994713 /nfs/dbraw/zinc/99/47/13/353994713.db2.gz FAKVZIGYDUETQM-CHWSQXEVSA-N 1 3 284.404 -0.116 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CNCCO1 ZINC000418453122 353997893 /nfs/dbraw/zinc/99/78/93/353997893.db2.gz YSANBRIOQCSKKZ-GHMZBOCLSA-N 1 3 258.366 -0.209 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385125 353995727 /nfs/dbraw/zinc/99/57/27/353995727.db2.gz PQHAGJVTONLOGK-LLVKDONJSA-N 1 3 258.366 -0.648 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418389540 353995957 /nfs/dbraw/zinc/99/59/57/353995957.db2.gz UAONRLSJQSDPOL-OLZOCXBDSA-N 1 3 284.404 -0.260 20 0 CBADHO C[C@@H](O)C(=O)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705411 353963222 /nfs/dbraw/zinc/96/32/22/353963222.db2.gz LOOHFWGXKNZPSL-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000418426151 353998279 /nfs/dbraw/zinc/99/82/79/353998279.db2.gz LPPRBSYQHSAPPR-ZDUSSCGKSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418490079 353999380 /nfs/dbraw/zinc/99/93/80/353999380.db2.gz MROUMBKYBNQVKL-CHWSQXEVSA-N 1 3 286.420 -0.027 20 0 CBADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CNCCO1)C1CCCC1 ZINC000418598165 354003169 /nfs/dbraw/zinc/00/31/69/354003169.db2.gz QIKSLNXSFXZBJZ-VXGBXAGGSA-N 1 3 270.377 -0.209 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418680490 354006371 /nfs/dbraw/zinc/00/63/71/354006371.db2.gz XUWNMJSVPVMVBJ-GDNZZTSVSA-N 1 3 270.377 -0.576 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418831411 354010507 /nfs/dbraw/zinc/01/05/07/354010507.db2.gz IXXXVTJESXLDDW-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418835442 354011837 /nfs/dbraw/zinc/01/18/37/354011837.db2.gz NUMCNLPJLUTSRC-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418846839 354012752 /nfs/dbraw/zinc/01/27/52/354012752.db2.gz ZGBAPZNBLUCGBS-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO NC[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000419008216 354022707 /nfs/dbraw/zinc/02/27/07/354022707.db2.gz VFPUGNZZCRSFJC-ZDUSSCGKSA-N 1 3 296.415 -0.168 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419033209 354026526 /nfs/dbraw/zinc/02/65/26/354026526.db2.gz YFEPTQHKKQZHIT-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419046180 354026593 /nfs/dbraw/zinc/02/65/93/354026593.db2.gz PFZJQRIFLLIUDE-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419080739 354027530 /nfs/dbraw/zinc/02/75/30/354027530.db2.gz QFMCJNRPRWOAQE-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419083622 354027569 /nfs/dbraw/zinc/02/75/69/354027569.db2.gz XAPMLILZFDQDSF-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419100690 354028886 /nfs/dbraw/zinc/02/88/86/354028886.db2.gz JEJTVSHUFSUVIU-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NCCN)C(C)(C)C ZINC000419131205 354029697 /nfs/dbraw/zinc/02/96/97/354029697.db2.gz GJVLDTIHNRNYHN-JTQLQIEISA-N 1 3 272.393 -0.456 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000419113955 354029823 /nfs/dbraw/zinc/02/98/23/354029823.db2.gz WVBZXCOFSYQWGO-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419281806 354043355 /nfs/dbraw/zinc/04/33/55/354043355.db2.gz HCHOFBLYAUPBKY-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N1CCC(C)CC1 ZINC000419156370 354034126 /nfs/dbraw/zinc/03/41/26/354034126.db2.gz JOLMWYFWLXAFBN-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419156369 354034212 /nfs/dbraw/zinc/03/42/12/354034212.db2.gz JOLMWYFWLXAFBN-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[NH3+])N1CCC(C)CC1 ZINC000419160998 354034339 /nfs/dbraw/zinc/03/43/39/354034339.db2.gz RCAYWVDHJGWVMM-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419172457 354035292 /nfs/dbraw/zinc/03/52/92/354035292.db2.gz QZVIXDQTAIWGHR-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419166203 354035667 /nfs/dbraw/zinc/03/56/67/354035667.db2.gz HFNNAVQGYURNFS-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC1 ZINC000419220067 354038445 /nfs/dbraw/zinc/03/84/45/354038445.db2.gz BBXDRNGSYXMIIU-LLVKDONJSA-N 1 3 282.388 -0.560 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419224959 354039121 /nfs/dbraw/zinc/03/91/21/354039121.db2.gz GIJWIPNWDLUNIE-ZDUSSCGKSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419553293 354061862 /nfs/dbraw/zinc/06/18/62/354061862.db2.gz YMZVNQAUMLEIPH-GHMZBOCLSA-N 1 3 286.420 -0.116 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419577371 354063309 /nfs/dbraw/zinc/06/33/09/354063309.db2.gz CYVCPKRDYVBXMC-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000419584464 354063644 /nfs/dbraw/zinc/06/36/44/354063644.db2.gz KVBOVYXNCDLOQH-MNOVXSKESA-N 1 3 282.388 -0.594 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419578548 354063748 /nfs/dbraw/zinc/06/37/48/354063748.db2.gz FCGZJWOQENOMPR-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419577885 354063893 /nfs/dbraw/zinc/06/38/93/354063893.db2.gz DFUWSJGYTGNZLP-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419578055 354064104 /nfs/dbraw/zinc/06/41/04/354064104.db2.gz DTVJKOJXDFRNBD-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419585263 354064251 /nfs/dbraw/zinc/06/42/51/354064251.db2.gz LWBCQIWODZHVKK-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419577879 354064260 /nfs/dbraw/zinc/06/42/60/354064260.db2.gz DFUWSJGYTGNZLP-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419595451 354064989 /nfs/dbraw/zinc/06/49/89/354064989.db2.gz WVWZJIDVAQSXFY-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C1CC1 ZINC000419591446 354065189 /nfs/dbraw/zinc/06/51/89/354065189.db2.gz RCXHDZXANKAGIQ-IJLUTSLNSA-N 1 3 296.415 -0.219 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419586304 354065295 /nfs/dbraw/zinc/06/52/95/354065295.db2.gz MTCCJHYHFBRRMK-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419590903 354065673 /nfs/dbraw/zinc/06/56/73/354065673.db2.gz QUKZTBRORVYRGE-NXEZZACHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419692822 354070415 /nfs/dbraw/zinc/07/04/15/354070415.db2.gz HRDGNIYUTXTDGN-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419690806 354070495 /nfs/dbraw/zinc/07/04/95/354070495.db2.gz CROJIOGHAQVGSB-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419690806 354070496 /nfs/dbraw/zinc/07/04/96/354070496.db2.gz CROJIOGHAQVGSB-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419700617 354071502 /nfs/dbraw/zinc/07/15/02/354071502.db2.gz XUDSSVAZZRNEHG-VXGBXAGGSA-N 1 3 294.399 -0.321 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419720569 354072236 /nfs/dbraw/zinc/07/22/36/354072236.db2.gz FTEJVBCKNFHNMN-JTQLQIEISA-N 1 3 258.366 -0.845 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419734155 354073782 /nfs/dbraw/zinc/07/37/82/354073782.db2.gz OVBCCOCCPRJREN-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419734159 354073941 /nfs/dbraw/zinc/07/39/41/354073941.db2.gz OVBCCOCCPRJREN-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419730473 354074230 /nfs/dbraw/zinc/07/42/30/354074230.db2.gz JWSQKOVRIMOFKR-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419741286 354074660 /nfs/dbraw/zinc/07/46/60/354074660.db2.gz YYNCYPVGVMHWJP-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419758165 354074948 /nfs/dbraw/zinc/07/49/48/354074948.db2.gz DPQRUCKDBJTVDY-LLVKDONJSA-N 1 3 272.393 -0.455 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419740898 354075101 /nfs/dbraw/zinc/07/51/01/354075101.db2.gz YOJXXTFHFDGDTE-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419766609 354075787 /nfs/dbraw/zinc/07/57/87/354075787.db2.gz RTLUSTLEGVZCBS-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419780239 354077742 /nfs/dbraw/zinc/07/77/42/354077742.db2.gz QNOYFHMEDJRNOE-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCN ZINC000419774791 354077790 /nfs/dbraw/zinc/07/77/90/354077790.db2.gz IFHYIYSNIDQHOF-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)CN)C(C)C ZINC000419795714 354078561 /nfs/dbraw/zinc/07/85/61/354078561.db2.gz LFRXYGPYKMIPGP-LLVKDONJSA-N 1 3 272.393 -0.315 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419814162 354079194 /nfs/dbraw/zinc/07/91/94/354079194.db2.gz HXNFGTSZWSINGE-GFCCVEGCSA-N 1 3 282.388 -0.462 20 0 CBADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NCCN)C(C)C ZINC000419822267 354080226 /nfs/dbraw/zinc/08/02/26/354080226.db2.gz WAIQTKDZEWLQJJ-UHFFFAOYSA-N 1 3 272.393 -0.362 20 0 CBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC[NH3+] ZINC000419830188 354081450 /nfs/dbraw/zinc/08/14/50/354081450.db2.gz FSFQFKXQMQPHTI-UHFFFAOYSA-N 1 3 298.412 -0.287 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCC[NH3+])N1CCC[C@@H](C)C1 ZINC000419841794 354082923 /nfs/dbraw/zinc/08/29/23/354082923.db2.gz UTZWGXZYMFPOHA-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC[NH3+])N1CCC[C@@H](C)C1 ZINC000419841787 354083254 /nfs/dbraw/zinc/08/32/54/354083254.db2.gz UTZWGXZYMFPOHA-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419841611 354083306 /nfs/dbraw/zinc/08/33/06/354083306.db2.gz GLFTWSPKIVCHPB-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419856600 354085633 /nfs/dbraw/zinc/08/56/33/354085633.db2.gz SNFYARAYGXDNOT-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419864516 354086611 /nfs/dbraw/zinc/08/66/11/354086611.db2.gz DPTFXBQVYCMPSH-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419285503 354044081 /nfs/dbraw/zinc/04/40/81/354044081.db2.gz MNDNVIBPYYBPKL-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419292361 354044622 /nfs/dbraw/zinc/04/46/22/354044622.db2.gz YMCRGGPKKGGATF-GFCCVEGCSA-N 1 3 286.420 -0.066 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419289989 354044885 /nfs/dbraw/zinc/04/48/85/354044885.db2.gz UQMQWVUPGMMMRU-UHFFFAOYSA-N 1 3 258.366 -0.748 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419285498 354044929 /nfs/dbraw/zinc/04/49/29/354044929.db2.gz MNDNVIBPYYBPKL-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419402690 354051552 /nfs/dbraw/zinc/05/15/52/354051552.db2.gz CVPGDRACMIKZSP-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419409622 354052479 /nfs/dbraw/zinc/05/24/79/354052479.db2.gz NFRYIYQMUVTYNY-OLZOCXBDSA-N 1 3 298.431 -0.194 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419408880 354052567 /nfs/dbraw/zinc/05/25/67/354052567.db2.gz MHXOLJSJACAWPN-UHFFFAOYSA-N 1 3 270.377 -0.701 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419087 354053054 /nfs/dbraw/zinc/05/30/54/354053054.db2.gz YVRZDFDOABPREJ-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419415206 354053110 /nfs/dbraw/zinc/05/31/10/354053110.db2.gz UWVHNXZSZYVUNN-VXGBXAGGSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCN)C1 ZINC000419474093 354055094 /nfs/dbraw/zinc/05/50/94/354055094.db2.gz BMMMIESPCVYNIQ-CHWSQXEVSA-N 1 3 298.431 -0.064 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419529436 354058179 /nfs/dbraw/zinc/05/81/79/354058179.db2.gz XTBIXCFVZGZPEH-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419526355 354058609 /nfs/dbraw/zinc/05/86/09/354058609.db2.gz STNRKFGXZFICAX-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000419524516 354058642 /nfs/dbraw/zinc/05/86/42/354058642.db2.gz PXJBHOHSFVXLHY-SNVBAGLBSA-N 1 3 268.361 -0.854 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419524934 354058849 /nfs/dbraw/zinc/05/88/49/354058849.db2.gz QPNOGXDGUUSHHI-RWMBFGLXSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419874071 354087702 /nfs/dbraw/zinc/08/77/02/354087702.db2.gz VTYOVNXIVBLYMH-GFCCVEGCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)CN)C(C)(C)C[NH+](C)C ZINC000419553302 354061021 /nfs/dbraw/zinc/06/10/21/354061021.db2.gz YMZVNQAUMLEIPH-WDEREUQCSA-N 1 3 286.420 -0.116 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887258 354089552 /nfs/dbraw/zinc/08/95/52/354089552.db2.gz DEXKYOOSKYZYIP-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000419897893 354091954 /nfs/dbraw/zinc/09/19/54/354091954.db2.gz WMSORNCPVFMGKF-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949622 354096663 /nfs/dbraw/zinc/09/66/63/354096663.db2.gz LLQJFFOYWFIKIP-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C ZINC000419957292 354097230 /nfs/dbraw/zinc/09/72/30/354097230.db2.gz OXSHQNNRAHQCLR-LLVKDONJSA-N 1 3 272.393 -0.504 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000419993380 354101205 /nfs/dbraw/zinc/10/12/05/354101205.db2.gz IKZAGBOUSZACIV-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000420020997 354102929 /nfs/dbraw/zinc/10/29/29/354102929.db2.gz GRGPEWNTXIFGKK-QJPTWQEYSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000420021005 354102956 /nfs/dbraw/zinc/10/29/56/354102956.db2.gz GRGPEWNTXIFGKK-UTUOFQBUSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420021106 354103321 /nfs/dbraw/zinc/10/33/21/354103321.db2.gz UALRVIBLLUNRPC-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](CN)C1CC1)C(C)C ZINC000420065385 354106969 /nfs/dbraw/zinc/10/69/69/354106969.db2.gz PQTTYEFGKVSDCO-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](CN)C1CC1)C(C)C ZINC000420065385 354106973 /nfs/dbraw/zinc/10/69/73/354106973.db2.gz PQTTYEFGKVSDCO-GFCCVEGCSA-N 1 3 284.404 -0.314 20 0 CBADHO OCCN(CCOCC(F)(F)F)CCN1CC[NH2+]CC1 ZINC000420303880 354121947 /nfs/dbraw/zinc/12/19/47/354121947.db2.gz NVJXJVFRFVPYMA-UHFFFAOYSA-N 1 3 299.337 -0.235 20 0 CBADHO CN(CCC(=O)N1CCN(C)CC1)[C@@H](C[NH3+])C1CC1 ZINC000420310823 354122329 /nfs/dbraw/zinc/12/23/29/354122329.db2.gz GWZQBFDBNGEGMY-ZDUSSCGKSA-N 1 3 268.405 -0.180 20 0 CBADHO CN1CCN(C(=O)CC[N@H+](C)[C@@H](CN)C2CC2)CC1 ZINC000420310823 354122336 /nfs/dbraw/zinc/12/23/36/354122336.db2.gz GWZQBFDBNGEGMY-ZDUSSCGKSA-N 1 3 268.405 -0.180 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+](C)[C@@H](CN)C2CC2)CC1 ZINC000420310823 354122340 /nfs/dbraw/zinc/12/23/40/354122340.db2.gz GWZQBFDBNGEGMY-ZDUSSCGKSA-N 1 3 268.405 -0.180 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321574 354122987 /nfs/dbraw/zinc/12/29/87/354122987.db2.gz CXCCWKFAGZBLCU-CHWSQXEVSA-N 1 3 297.399 -0.013 20 0 CBADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000420345920 354124144 /nfs/dbraw/zinc/12/41/44/354124144.db2.gz WVXDKIMSGLYJTC-CHWSQXEVSA-N 1 3 294.399 -0.734 20 0 CBADHO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@@H](O)CN ZINC000420349677 354124203 /nfs/dbraw/zinc/12/42/03/354124203.db2.gz DOXGKIARKMIURL-LBPRGKRZSA-N 1 3 294.355 -0.024 20 0 CBADHO C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@@H](O)CN ZINC000420349677 354124205 /nfs/dbraw/zinc/12/42/05/354124205.db2.gz DOXGKIARKMIURL-LBPRGKRZSA-N 1 3 294.355 -0.024 20 0 CBADHO C[NH2+]CCCN(C)CCC(=O)N1CCN(C)CC1 ZINC000420393691 354126326 /nfs/dbraw/zinc/12/63/26/354126326.db2.gz QQMROHZVSNJRCS-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000423233865 354165850 /nfs/dbraw/zinc/16/58/50/354165850.db2.gz KPSCQFJNUFAYIW-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423494734 354177805 /nfs/dbraw/zinc/17/78/05/354177805.db2.gz DIFRSIFLMJUQIC-NSHDSACASA-N 1 3 270.377 -0.655 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423394070 354174790 /nfs/dbraw/zinc/17/47/90/354174790.db2.gz ZLAGWKBZVWXQBH-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCN)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000423405791 354174801 /nfs/dbraw/zinc/17/48/01/354174801.db2.gz ZRQSRZWIQGBGCD-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(CCN)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000423405791 354174803 /nfs/dbraw/zinc/17/48/03/354174803.db2.gz ZRQSRZWIQGBGCD-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CCN)C(C)C ZINC000423414763 354175690 /nfs/dbraw/zinc/17/56/90/354175690.db2.gz NXZFPPKQHQAGLZ-UHFFFAOYSA-N 1 3 286.420 -0.019 20 0 CBADHO C[C@@H]1CCNC[C@@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000422708317 354151782 /nfs/dbraw/zinc/15/17/82/354151782.db2.gz BOAHPLPKBFIMMW-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000422976088 354158360 /nfs/dbraw/zinc/15/83/60/354158360.db2.gz UOEAJAOOHOKFST-RYUDHWBXSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422970867 354158438 /nfs/dbraw/zinc/15/84/38/354158438.db2.gz HHOFYQXMHVPYMW-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000422965690 354158680 /nfs/dbraw/zinc/15/86/80/354158680.db2.gz PKYDFHZXWOFIPJ-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000423063086 354161411 /nfs/dbraw/zinc/16/14/11/354161411.db2.gz OIMMLRPLFJEJMB-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000423198247 354164783 /nfs/dbraw/zinc/16/47/83/354164783.db2.gz DVJTUCPOTUGVIE-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423715851 354192955 /nfs/dbraw/zinc/19/29/55/354192955.db2.gz HUQGSMAHEUFHOW-QWRGUYRKSA-N 1 3 270.377 -0.655 20 0 CBADHO CCC[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)N(C)C ZINC000423724899 354193736 /nfs/dbraw/zinc/19/37/36/354193736.db2.gz RXYRATAQKLZYDX-VXGBXAGGSA-N 1 3 256.394 -0.264 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423727204 354194259 /nfs/dbraw/zinc/19/42/59/354194259.db2.gz QTANVGSASGFHMH-NWDGAFQWSA-N 1 3 282.388 -0.511 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423850537 354201785 /nfs/dbraw/zinc/20/17/85/354201785.db2.gz QGVNGPKZJLJOMN-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423850538 354202092 /nfs/dbraw/zinc/20/20/92/354202092.db2.gz QGVNGPKZJLJOMN-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839882 354202104 /nfs/dbraw/zinc/20/21/04/354202104.db2.gz DEJSSVWREVSJGK-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC(C)(C)CC[NH3+])CC1=O ZINC000424049706 354207970 /nfs/dbraw/zinc/20/79/70/354207970.db2.gz YEFIHOCGICSVGA-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])CN1CCN(C)CC1 ZINC000424159127 354212036 /nfs/dbraw/zinc/21/20/36/354212036.db2.gz UVNIRQYWFNBHLU-UTUOFQBUSA-N 1 3 254.378 -0.667 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1C(=O)CNC1=O ZINC000427854453 354245444 /nfs/dbraw/zinc/24/54/44/354245444.db2.gz AVXBAKIMWCOKGH-UWVGGRQHSA-N 1 3 254.334 -0.532 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1C(=O)CNC1=O ZINC000427854453 354245446 /nfs/dbraw/zinc/24/54/46/354245446.db2.gz AVXBAKIMWCOKGH-UWVGGRQHSA-N 1 3 254.334 -0.532 20 0 CBADHO CN(CCC(=O)NC(N)=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000431001808 354251524 /nfs/dbraw/zinc/25/15/24/354251524.db2.gz LEEMSEVOOGPDBR-UHFFFAOYSA-N 1 3 299.419 -0.471 20 0 CBADHO CN(CCC(=O)NC(N)=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000431001808 354251526 /nfs/dbraw/zinc/25/15/26/354251526.db2.gz LEEMSEVOOGPDBR-UHFFFAOYSA-N 1 3 299.419 -0.471 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000431013214 354251627 /nfs/dbraw/zinc/25/16/27/354251627.db2.gz HWKVZCCIMGWZOO-OLZOCXBDSA-N 1 3 270.421 -0.158 20 0 CBADHO C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000444264049 354266619 /nfs/dbraw/zinc/26/66/19/354266619.db2.gz BSIZCCMCCBBMGJ-FMKPAKJESA-N 1 3 294.443 -0.014 20 0 CBADHO CO[C@H](CN)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424239958 354220935 /nfs/dbraw/zinc/22/09/35/354220935.db2.gz OUMDSYHTORKWSD-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424477003 354225447 /nfs/dbraw/zinc/22/54/47/354225447.db2.gz KWUIRMQXSVZTGY-YNEHKIRRSA-N 1 3 294.403 -0.161 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482846 354226452 /nfs/dbraw/zinc/22/64/52/354226452.db2.gz VLYBMPGLPGEKOD-KGYLQXTDSA-N 1 3 294.403 -0.146 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449694599 354321982 /nfs/dbraw/zinc/32/19/82/354321982.db2.gz HESYVUWBMHMJAG-QWHCGFSZSA-N 1 3 268.405 -0.119 20 0 CBADHO CCN(C)CCNC(=O)NCCOCC[NH+](C)C ZINC000471664468 354403491 /nfs/dbraw/zinc/40/34/91/354403491.db2.gz VLTUFIHBILVWJE-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO O=C(N[C@H]1CCN(C2CCCC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479303361 354407499 /nfs/dbraw/zinc/40/74/99/354407499.db2.gz WSZYDKIQQXMSQB-CYZMBNFOSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@@H](O)CN1 ZINC000479303361 354407502 /nfs/dbraw/zinc/40/75/02/354407502.db2.gz WSZYDKIQQXMSQB-CYZMBNFOSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@@H](O)CN1 ZINC000479303361 354407504 /nfs/dbraw/zinc/40/75/04/354407504.db2.gz WSZYDKIQQXMSQB-CYZMBNFOSA-N 1 3 267.373 -0.158 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515828803 354555914 /nfs/dbraw/zinc/55/59/14/354555914.db2.gz WENUALLPZUBHAX-BETUJISGSA-N 1 3 294.399 -0.782 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCN1C1CCOCC1 ZINC000519399617 354561020 /nfs/dbraw/zinc/56/10/20/354561020.db2.gz XMYCRWQUMWYVQZ-RFQIPJPRSA-N 1 3 279.384 -0.036 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496843209 354551479 /nfs/dbraw/zinc/55/14/79/354551479.db2.gz AFSUUMCUCRGPCN-GWCFXTLKSA-N 1 3 291.392 -0.568 20 0 CBADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1cncn1 ZINC000542780523 354633220 /nfs/dbraw/zinc/63/32/20/354633220.db2.gz PHHQKEUFBDPFDJ-GFCCVEGCSA-N 1 3 282.392 -0.209 20 0 CBADHO CN(C)[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1O ZINC000556974091 354684262 /nfs/dbraw/zinc/68/42/62/354684262.db2.gz SMXXCSHBHZWGLK-MELADBBJSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@@H]1CCN(C)CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000562812666 354688372 /nfs/dbraw/zinc/68/83/72/354688372.db2.gz NECOKDWYHWMLKE-CYBMUJFWSA-N 1 3 283.420 -0.373 20 0 CBADHO CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CCN(C2CC2)C1 ZINC000562821207 354689002 /nfs/dbraw/zinc/68/90/02/354689002.db2.gz ZYBBVMFDHMICPM-KGLIPLIRSA-N 1 3 295.431 -0.232 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)CN1CCN(C)CC1 ZINC000563077520 354694469 /nfs/dbraw/zinc/69/44/69/354694469.db2.gz IFCOPMKZNINIDW-MGPQQGTHSA-N 1 3 282.432 -0.016 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000563095492 354695976 /nfs/dbraw/zinc/69/59/76/354695976.db2.gz WLOVBJSYZLZKNO-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000563116866 354697226 /nfs/dbraw/zinc/69/72/26/354697226.db2.gz OCGSPMKKASSAMZ-UTUOFQBUSA-N 1 3 255.362 -0.192 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000563143356 354698814 /nfs/dbraw/zinc/69/88/14/354698814.db2.gz QVYAAFNAANUZCV-OLZOCXBDSA-N 1 3 286.347 -0.127 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH2+]C1CC1 ZINC000563165894 354700949 /nfs/dbraw/zinc/70/09/49/354700949.db2.gz RRFYZXUBMRDFPN-LBPRGKRZSA-N 1 3 270.377 -0.656 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)NC2C[NH2+]C2)CC1 ZINC000563798962 354705255 /nfs/dbraw/zinc/70/52/55/354705255.db2.gz DALGUJBILOOIDA-GFCCVEGCSA-N 1 3 270.377 -0.650 20 0 CBADHO C[C@H]1CCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564456793 354712842 /nfs/dbraw/zinc/71/28/42/354712842.db2.gz ORYCOFVIUXDVGQ-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000564798909 354717390 /nfs/dbraw/zinc/71/73/90/354717390.db2.gz AANAKAMOGZWTLE-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO N[C@@H]1C[C@@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233711 354733658 /nfs/dbraw/zinc/73/36/58/354733658.db2.gz OXGCEKOEVFXQSS-VXGBXAGGSA-N 1 3 253.346 -0.343 20 0 CBADHO N[C@@H]1C[C@@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233711 354733660 /nfs/dbraw/zinc/73/36/60/354733660.db2.gz OXGCEKOEVFXQSS-VXGBXAGGSA-N 1 3 253.346 -0.343 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)NCCNc1ccncc1 ZINC000564914937 354720193 /nfs/dbraw/zinc/72/01/93/354720193.db2.gz DVYXJIYSZJLJME-LLVKDONJSA-N 1 3 252.318 -0.605 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000564989226 354724376 /nfs/dbraw/zinc/72/43/76/354724376.db2.gz BYUNEPVPAYDTAU-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCNCC1 ZINC000566017417 354750746 /nfs/dbraw/zinc/75/07/46/354750746.db2.gz VJXLIFQUXFBIFZ-NEPJUHHUSA-N 1 3 254.378 -0.380 20 0 CBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000566180092 354755367 /nfs/dbraw/zinc/75/53/67/354755367.db2.gz SAWLGMMKJXSQJQ-KBPBESRZSA-N 1 3 299.415 -0.426 20 0 CBADHO CN1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566171322 354755515 /nfs/dbraw/zinc/75/55/15/354755515.db2.gz LKVVEXWEGANGKQ-NEPJUHHUSA-N 1 3 292.387 -0.288 20 0 CBADHO C[C@@]1(CNC[C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229753 354758561 /nfs/dbraw/zinc/75/85/61/354758561.db2.gz MOAPDUFBLZMQRC-NWDGAFQWSA-N 1 3 275.418 -0.143 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000566236534 354759130 /nfs/dbraw/zinc/75/91/30/354759130.db2.gz FQMOCRNOJHFAIQ-SDDRHHMPSA-N 1 3 284.404 -0.219 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572194 354771588 /nfs/dbraw/zinc/77/15/88/354771588.db2.gz AHIIZLSDSJAQEN-IJLUTSLNSA-N 1 3 295.387 -0.918 20 0 CBADHO CN1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H](CN)C1 ZINC000567031380 354779831 /nfs/dbraw/zinc/77/98/31/354779831.db2.gz KDJSPWLUTZKZMY-QWHCGFSZSA-N 1 3 283.420 -0.212 20 0 CBADHO O=C(COC1CNC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567232250 354783194 /nfs/dbraw/zinc/78/31/94/354783194.db2.gz KHVPVBSDRUCFON-GFCCVEGCSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(C)CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000567267307 354785054 /nfs/dbraw/zinc/78/50/54/354785054.db2.gz ZNIVDDMIQYHAGI-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000565588829 354741386 /nfs/dbraw/zinc/74/13/86/354741386.db2.gz UEZSOEFYDAWHNW-GFCCVEGCSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000565588829 354741388 /nfs/dbraw/zinc/74/13/88/354741388.db2.gz UEZSOEFYDAWHNW-GFCCVEGCSA-N 1 3 296.415 -0.441 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567839312 354800890 /nfs/dbraw/zinc/80/08/90/354800890.db2.gz JJUFXCBKOUGWCA-OHTBPHCPSA-N 1 3 297.399 -0.295 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000567871635 354801662 /nfs/dbraw/zinc/80/16/62/354801662.db2.gz ZXMJRNRWZKGQDC-HIFRSBDPSA-N 1 3 280.416 -0.131 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCCCN1CCO)C1CC1 ZINC000567872827 354801682 /nfs/dbraw/zinc/80/16/82/354801682.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@H](O)CNC[C@H]1CCCCN1CCO)C1CC1 ZINC000567872827 354801684 /nfs/dbraw/zinc/80/16/84/354801684.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@H](O)CNC[C@H]1CCCCN1CCO)C1CC1 ZINC000567872827 354801686 /nfs/dbraw/zinc/80/16/86/354801686.db2.gz IBHAWZXRWAWCNR-HUUCEWRRSA-N 1 3 285.432 -0.122 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000567871634 354801703 /nfs/dbraw/zinc/80/17/03/354801703.db2.gz ZXMJRNRWZKGQDC-DZGCQCFKSA-N 1 3 280.416 -0.131 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567907248 354804562 /nfs/dbraw/zinc/80/45/62/354804562.db2.gz QJWFMXXIMDBRKB-BRZZBQFESA-N 1 3 296.415 -0.173 20 0 CBADHO C[C@H]1CCN(CCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567982900 354807254 /nfs/dbraw/zinc/80/72/54/354807254.db2.gz YQCHOUYKZKBIIW-NSHDSACASA-N 1 3 280.376 -0.302 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000567982899 354807369 /nfs/dbraw/zinc/80/73/69/354807369.db2.gz YQCHOUYKZKBIIW-LLVKDONJSA-N 1 3 280.376 -0.302 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000568211613 354815688 /nfs/dbraw/zinc/81/56/88/354815688.db2.gz CXDSVAHDNKYVDP-RISCZKNCSA-N 1 3 267.373 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000568211613 354815691 /nfs/dbraw/zinc/81/56/91/354815691.db2.gz CXDSVAHDNKYVDP-RISCZKNCSA-N 1 3 267.373 -0.489 20 0 CBADHO CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568267713 354819196 /nfs/dbraw/zinc/81/91/96/354819196.db2.gz LONQKSREJCTVAB-OUAUKWLOSA-N 1 3 268.361 -0.855 20 0 CBADHO CC(C)[C@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@H](C)[NH3+] ZINC000568264719 354819519 /nfs/dbraw/zinc/81/95/19/354819519.db2.gz UEXDGHNPSKGZOF-UWVGGRQHSA-N 1 3 295.391 -0.228 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000568877257 354833807 /nfs/dbraw/zinc/83/38/07/354833807.db2.gz VNCZGIIQBPLNMQ-UONOGXRCSA-N 1 3 298.431 -0.493 20 0 CBADHO CN[C@@H](C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000568413735 354824334 /nfs/dbraw/zinc/82/43/34/354824334.db2.gz OZSOAKBDNGWBFQ-IUCAKERBSA-N 1 3 282.310 -0.453 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000568511999 354825520 /nfs/dbraw/zinc/82/55/20/354825520.db2.gz FVWICBWSWJWUHU-VWYCJHECSA-N 1 3 271.361 -0.005 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000570666013 354866977 /nfs/dbraw/zinc/86/69/77/354866977.db2.gz SKXKQVNUPRVBTN-RYUDHWBXSA-N 1 3 270.377 -0.242 20 0 CBADHO CN1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000571041246 354876225 /nfs/dbraw/zinc/87/62/25/354876225.db2.gz CNRWQRPWISDZLX-LBPRGKRZSA-N 1 3 292.387 -0.146 20 0 CBADHO C[C@@H]1CN(C(=O)N2CCN(C)C[C@H]2CN)C[C@@]1(C)C[NH3+] ZINC000571062862 354877056 /nfs/dbraw/zinc/87/70/56/354877056.db2.gz ABKAURJWWXKMKY-YRGRVCCFSA-N 1 3 283.420 -0.402 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CC[C@@H](C)C2)C1 ZINC000569224974 354840264 /nfs/dbraw/zinc/84/02/64/354840264.db2.gz IHLYWWIAPRRMHJ-GRYCIOLGSA-N 1 3 255.362 -0.179 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2C[NH2+]CCO2)C1(C)C ZINC000569240492 354841111 /nfs/dbraw/zinc/84/11/11/354841111.db2.gz DSDNMYDPCGGJSK-MISXGVKJSA-N 1 3 285.388 -0.377 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000569692467 354844030 /nfs/dbraw/zinc/84/40/30/354844030.db2.gz BBPGPGIYTGDHLN-QWRGUYRKSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@H](CNC(=O)C1(C)C[NH2+]C1)CN1CCN(C)CC1 ZINC000569808327 354845938 /nfs/dbraw/zinc/84/59/38/354845938.db2.gz ZIIOSUDTLRVDGW-GFCCVEGCSA-N 1 3 268.405 -0.404 20 0 CBADHO Cc1nc2n(n1)C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437792 354862087 /nfs/dbraw/zinc/86/20/87/354862087.db2.gz CASAUAQIHQCGSW-YPMHNXCESA-N 1 3 279.388 -0.054 20 0 CBADHO Cc1nc2n(n1)C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437792 354862089 /nfs/dbraw/zinc/86/20/89/354862089.db2.gz CASAUAQIHQCGSW-YPMHNXCESA-N 1 3 279.388 -0.054 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000570515139 354863788 /nfs/dbraw/zinc/86/37/88/354863788.db2.gz HHVZQHQUUKRQKZ-MNOVXSKESA-N 1 3 271.361 -0.181 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@H](C)C1 ZINC000570580458 354864734 /nfs/dbraw/zinc/86/47/34/354864734.db2.gz XDUBJHRCGKKYAA-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CCOC)[C@H](C)C1 ZINC000570580458 354864736 /nfs/dbraw/zinc/86/47/36/354864736.db2.gz XDUBJHRCGKKYAA-KGLIPLIRSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000572012514 354885269 /nfs/dbraw/zinc/88/52/69/354885269.db2.gz QGLGNLUXPKGJGE-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO CCN(CCNC(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000572279786 354890721 /nfs/dbraw/zinc/89/07/21/354890721.db2.gz TYZHRDZPQHTMGY-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1C1CC1 ZINC000572719346 354895671 /nfs/dbraw/zinc/89/56/71/354895671.db2.gz XFMFUGZKYVOQRB-MNOVXSKESA-N 1 3 292.387 -0.018 20 0 CBADHO CC1CCN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000573236615 354908090 /nfs/dbraw/zinc/90/80/90/354908090.db2.gz GPTXUOMDRIDIFL-MRXNPFEDSA-N 1 3 298.475 -0.084 20 0 CBADHO CN(C[C@H](O)C[NH2+]CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000573357854 354911326 /nfs/dbraw/zinc/91/13/26/354911326.db2.gz CSRFKYAARDFJNH-CQSZACIVSA-N 1 3 298.431 -0.805 20 0 CBADHO CN1CCN(C(=O)CCNC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000573357854 354911329 /nfs/dbraw/zinc/91/13/29/354911329.db2.gz CSRFKYAARDFJNH-CQSZACIVSA-N 1 3 298.431 -0.805 20 0 CBADHO CN1CCN(C(=O)CCNC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000573357854 354911333 /nfs/dbraw/zinc/91/13/33/354911333.db2.gz CSRFKYAARDFJNH-CQSZACIVSA-N 1 3 298.431 -0.805 20 0 CBADHO NC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000573442196 354911954 /nfs/dbraw/zinc/91/19/54/354911954.db2.gz VSFJFKXNGQSMCU-JTQLQIEISA-N 1 3 268.361 -0.819 20 0 CBADHO NC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000573442202 354912120 /nfs/dbraw/zinc/91/21/20/354912120.db2.gz VSFJFKXNGQSMCU-SNVBAGLBSA-N 1 3 268.361 -0.819 20 0 CBADHO CN1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000571778485 354880175 /nfs/dbraw/zinc/88/01/75/354880175.db2.gz LBJSBZXKNYVRHB-YPMHNXCESA-N 1 3 292.387 -0.207 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865976 354882005 /nfs/dbraw/zinc/88/20/05/354882005.db2.gz AMOFTWIKIHFXAB-UWVGGRQHSA-N 1 3 291.346 -0.732 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000574042977 354927576 /nfs/dbraw/zinc/92/75/76/354927576.db2.gz WBOHHSZOVVIXIB-NHCYSSNCSA-N 1 3 270.377 -0.671 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578227294 354942111 /nfs/dbraw/zinc/94/21/11/354942111.db2.gz VNJKIRRQWZLIGA-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC1C[NH2+]C1 ZINC000578490834 354946421 /nfs/dbraw/zinc/94/64/21/354946421.db2.gz LZFOCVZLKCIWCU-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627952 354950548 /nfs/dbraw/zinc/95/05/48/354950548.db2.gz SRYNVPNWEBBSND-YPMHNXCESA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COC2CNC2)C1 ZINC000578627952 354950549 /nfs/dbraw/zinc/95/05/49/354950549.db2.gz SRYNVPNWEBBSND-YPMHNXCESA-N 1 3 267.373 -0.083 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767407 354954599 /nfs/dbraw/zinc/95/45/99/354954599.db2.gz UILONALXMVBSMM-IJLUTSLNSA-N 1 3 280.372 -0.711 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767408 354954836 /nfs/dbraw/zinc/95/48/36/354954836.db2.gz UILONALXMVBSMM-QJPTWQEYSA-N 1 3 280.372 -0.711 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)C23CCCN2CCC3)CCO1 ZINC000578890933 354957048 /nfs/dbraw/zinc/95/70/48/354957048.db2.gz YKPIQMRFTMOSID-LLVKDONJSA-N 1 3 253.346 -0.199 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124925 354962650 /nfs/dbraw/zinc/96/26/50/354962650.db2.gz YKGUEWRADOUVQH-RYUDHWBXSA-N 1 3 257.378 -0.148 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124925 354962653 /nfs/dbraw/zinc/96/26/53/354962653.db2.gz YKGUEWRADOUVQH-RYUDHWBXSA-N 1 3 257.378 -0.148 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000342766805 291048895 /nfs/dbraw/zinc/04/88/95/291048895.db2.gz XNYVNEZAHAXVKZ-QWRGUYRKSA-N 1 3 271.361 -0.181 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000342687156 291049917 /nfs/dbraw/zinc/04/99/17/291049917.db2.gz AUULDHMKOQCFMY-QWRGUYRKSA-N 1 3 271.361 -0.277 20 0 CBADHO O=C(COC1CNC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580076444 354988339 /nfs/dbraw/zinc/98/83/39/354988339.db2.gz OVDUQBUDWVALPV-CYBMUJFWSA-N 1 3 253.346 -0.423 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000584530572 355030948 /nfs/dbraw/zinc/03/09/48/355030948.db2.gz AIHJCUXKPWEYRG-ZJUUUORDSA-N 1 3 257.334 -0.537 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCNC(C)(C)C1 ZINC000584770520 355037426 /nfs/dbraw/zinc/03/74/26/355037426.db2.gz YKJGKWKEOGFSFJ-LLVKDONJSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)[C@H](C)C[NH2+]1 ZINC000582062568 355006192 /nfs/dbraw/zinc/00/61/92/355006192.db2.gz OWSSRWMQDUEHGG-JHJVBQTASA-N 1 3 268.405 -0.134 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583563499 355020079 /nfs/dbraw/zinc/02/00/79/355020079.db2.gz ATAJCKARQBCWCU-ZJUUUORDSA-N 1 3 293.375 -0.459 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000584002095 355027599 /nfs/dbraw/zinc/02/75/99/355027599.db2.gz LZOPQEWRQKIYON-AGIUHOORSA-N 1 3 260.378 -0.229 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000584002095 355027602 /nfs/dbraw/zinc/02/76/02/355027602.db2.gz LZOPQEWRQKIYON-AGIUHOORSA-N 1 3 260.378 -0.229 20 0 CBADHO CSC[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734986 355112261 /nfs/dbraw/zinc/11/22/61/355112261.db2.gz FYAOQXGFEHITEZ-VXGBXAGGSA-N 1 3 289.445 -0.113 20 0 CBADHO CSC[C@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591734986 355112263 /nfs/dbraw/zinc/11/22/63/355112263.db2.gz FYAOQXGFEHITEZ-VXGBXAGGSA-N 1 3 289.445 -0.113 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000591287055 355093495 /nfs/dbraw/zinc/09/34/95/355093495.db2.gz CFMAGWIFDSZMFU-UHFFFAOYSA-N 1 3 295.387 -0.321 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592293093 355146369 /nfs/dbraw/zinc/14/63/69/355146369.db2.gz QZDKYUWMWYBWTE-UWVGGRQHSA-N 1 3 257.334 -0.475 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000592331525 355148217 /nfs/dbraw/zinc/14/82/17/355148217.db2.gz UHKHXKSOBSYKTL-AEJSXWLSSA-N 1 3 257.334 -0.347 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000592331528 355148389 /nfs/dbraw/zinc/14/83/89/355148389.db2.gz UHKHXKSOBSYKTL-BBBLOLIVSA-N 1 3 257.334 -0.347 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]1CCC[NH2+]C1 ZINC000592434786 355154516 /nfs/dbraw/zinc/15/45/16/355154516.db2.gz PSEHPGSPEZQFKQ-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO CSCC[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469266 355155236 /nfs/dbraw/zinc/15/52/36/355155236.db2.gz ZKLDQAVNAFELBW-LLVKDONJSA-N 1 3 274.434 -0.570 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)CC3([NH3+])CCC3)CCN2C1=O ZINC000594873650 355265702 /nfs/dbraw/zinc/26/57/02/355265702.db2.gz GLRDXFBJCRULGD-VHSXEESVSA-N 1 3 266.345 -0.972 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H](C)[NH3+] ZINC000594877973 355267076 /nfs/dbraw/zinc/26/70/76/355267076.db2.gz JKNQDHLOQISGPJ-KKOKHZNYSA-N 1 3 282.388 -0.624 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594879646 355268000 /nfs/dbraw/zinc/26/80/00/355268000.db2.gz FMMXIXFFOGTEPZ-DDHJBXDOSA-N 1 3 280.372 -0.855 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952361 355326923 /nfs/dbraw/zinc/32/69/23/355326923.db2.gz ZVQUJQKZIIENAC-ZJUUUORDSA-N 1 3 259.350 -0.244 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971832 355331085 /nfs/dbraw/zinc/33/10/85/355331085.db2.gz SKYPGRWKMWGNNJ-MNOVXSKESA-N 1 3 292.383 -0.582 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595266059 355276161 /nfs/dbraw/zinc/27/61/61/355276161.db2.gz YDAHJMNPYMGRFV-QCNOEVLYSA-N 1 3 295.387 -0.920 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCC(=O)OC ZINC000602545230 355659497 /nfs/dbraw/zinc/65/94/97/355659497.db2.gz VOIFJHDCNKIOII-LPEHRKFASA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CN(C)C(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000603435227 355716308 /nfs/dbraw/zinc/71/63/08/355716308.db2.gz WCBUYXUNQJTFHW-ZJUUUORDSA-N 1 3 271.361 -0.277 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](CN)C1 ZINC000612994406 355860627 /nfs/dbraw/zinc/86/06/27/355860627.db2.gz SNHVVSIWCCPPOW-RYUDHWBXSA-N 1 3 281.404 -0.587 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CO)CN(C)C ZINC000614847674 355989484 /nfs/dbraw/zinc/98/94/84/355989484.db2.gz NEGJIBLJBKEUPU-UTUOFQBUSA-N 1 3 257.378 -0.102 20 0 CBADHO CN(C)C[C@H](CO)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000614853466 355992489 /nfs/dbraw/zinc/99/24/89/355992489.db2.gz WSOJBIKSZNHPPF-GFCCVEGCSA-N 1 3 280.372 -0.053 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC(N)=O ZINC000617505889 356139089 /nfs/dbraw/zinc/13/90/89/356139089.db2.gz ULSCDMAHROZMIW-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC(N)=O ZINC000617505889 356139091 /nfs/dbraw/zinc/13/90/91/356139091.db2.gz ULSCDMAHROZMIW-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506269 356139178 /nfs/dbraw/zinc/13/91/78/356139178.db2.gz HXUZSHAVXVXEHC-NSHDSACASA-N 1 3 287.408 -0.696 20 0 CBADHO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506269 356139180 /nfs/dbraw/zinc/13/91/80/356139180.db2.gz HXUZSHAVXVXEHC-NSHDSACASA-N 1 3 287.408 -0.696 20 0 CBADHO CC(C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)S(C)(=O)=O ZINC000621694622 356281041 /nfs/dbraw/zinc/28/10/41/356281041.db2.gz JUZFDLUNKILLMR-WCABBAIRSA-N 1 3 260.359 -0.241 20 0 CBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1CNCCO1)C2 ZINC000621684370 356280663 /nfs/dbraw/zinc/28/06/63/356280663.db2.gz LIMUDQPKBSKUIO-WZRBSPASSA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621838102 356288804 /nfs/dbraw/zinc/28/88/04/356288804.db2.gz XNIYMTADMPNFPC-XHDPSFHLSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH+](C)[C@H](CNc1nc(N)nc(N)n1)c1cccc(F)c1 ZINC000623799851 356376309 /nfs/dbraw/zinc/37/63/09/356376309.db2.gz PRXPNHIRMYTADD-SNVBAGLBSA-N 1 3 291.334 -0.027 20 0 CBADHO C[NH+](C)[C@@H](CNc1nc(N)nc(N)n1)c1cccs1 ZINC000623798494 356376373 /nfs/dbraw/zinc/37/63/73/356376373.db2.gz XCGBILXYNJNKBJ-ZETCQYMHSA-N 1 3 279.373 -0.105 20 0 CBADHO C[C@@H](CNc1nc(N)nc(N)n1)C[NH+]1CCCC1 ZINC000623875582 356380527 /nfs/dbraw/zinc/38/05/27/356380527.db2.gz OSLURQOCRKTHTF-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO CC[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623908436 356381416 /nfs/dbraw/zinc/38/14/16/356381416.db2.gz BHXLNPBRHGVJJI-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO CC[N@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623908436 356381419 /nfs/dbraw/zinc/38/14/19/356381419.db2.gz BHXLNPBRHGVJJI-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO Nc1nc(N)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000623988001 356386531 /nfs/dbraw/zinc/38/65/31/356386531.db2.gz WTAKBFWNHAEEGW-VIFPVBQESA-N 1 3 263.349 -0.381 20 0 CBADHO Nc1nc(N)nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000623981581 356386841 /nfs/dbraw/zinc/38/68/41/356386841.db2.gz KDMLUCVRZGGZRD-SECBINFHSA-N 1 3 293.375 -0.969 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624006083 356388467 /nfs/dbraw/zinc/38/84/67/356388467.db2.gz LKCCCCRGPKYEIZ-MRVPVSSYSA-N 1 3 251.338 -0.525 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624006083 356388468 /nfs/dbraw/zinc/38/84/68/356388468.db2.gz LKCCCCRGPKYEIZ-MRVPVSSYSA-N 1 3 251.338 -0.525 20 0 CBADHO C[C@@H](CCNc1nc(N)nc(N)n1)[NH+]1CCCCC1 ZINC000624099550 356397021 /nfs/dbraw/zinc/39/70/21/356397021.db2.gz VENDWHXSUQTFPI-VIFPVBQESA-N 1 3 265.365 -0.205 20 0 CBADHO C[C@H](C1CC[NH+](C)CC1)N(C)c1nc(N)nc(N)n1 ZINC000624088657 356397072 /nfs/dbraw/zinc/39/70/72/356397072.db2.gz QHAHNHCLFDVLKE-MRVPVSSYSA-N 1 3 265.365 -0.137 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000624410788 356420847 /nfs/dbraw/zinc/42/08/47/356420847.db2.gz HLYOQZYNBXCGPP-SECBINFHSA-N 1 3 281.364 -0.756 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000624410789 356420954 /nfs/dbraw/zinc/42/09/54/356420954.db2.gz HLYOQZYNBXCGPP-VIFPVBQESA-N 1 3 281.364 -0.756 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000626978644 356562461 /nfs/dbraw/zinc/56/24/61/356562461.db2.gz HNYZGNNDNGNVQZ-NSHDSACASA-N 1 3 270.377 -0.242 20 0 CBADHO CN(CCOCC[NH3+])C(=O)N[C@H]1CCCN(C)C1 ZINC000626946427 356558716 /nfs/dbraw/zinc/55/87/16/356558716.db2.gz YJRBIICCUQTSAL-NSHDSACASA-N 1 3 258.366 -0.303 20 0 CBADHO CN1CCC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946096 356558723 /nfs/dbraw/zinc/55/87/23/356558723.db2.gz RNQGDJBOBQJXRL-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626949572 356558947 /nfs/dbraw/zinc/55/89/47/356558947.db2.gz FLUMRIIMBANAAV-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626975526 356561697 /nfs/dbraw/zinc/56/16/97/356561697.db2.gz VYUIRUOMNXIYRL-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO CCN(CC[NH3+])C(=O)NCCN(C)CCCOC ZINC000626986894 356563584 /nfs/dbraw/zinc/56/35/84/356563584.db2.gz PURJPWRDFZBPDD-UHFFFAOYSA-N 1 3 260.382 -0.055 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146886 356588402 /nfs/dbraw/zinc/58/84/02/356588402.db2.gz BUQYNWJMXBBEGT-WDEREUQCSA-N 1 3 270.377 -0.114 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000627160088 356591309 /nfs/dbraw/zinc/59/13/09/356591309.db2.gz XEDUZUJDIZKJAK-SDDRHHMPSA-N 1 3 269.393 -0.589 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000627163873 356591678 /nfs/dbraw/zinc/59/16/78/356591678.db2.gz WIPSKMAHZLNGND-LOWVWBTDSA-N 1 3 270.377 -0.507 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@](C)(O)CN(C)C ZINC000627165556 356592051 /nfs/dbraw/zinc/59/20/51/356592051.db2.gz ZAHRRVNTSURGHX-DMDPSCGWSA-N 1 3 272.393 -0.261 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000627171392 356592932 /nfs/dbraw/zinc/59/29/32/356592932.db2.gz UZWRAMHGZIQAEG-MNOVXSKESA-N 1 3 258.366 -0.386 20 0 CBADHO C[NH2+]CCOCCNC(=O)NC(C)(C)CN(C)C ZINC000627171925 356593223 /nfs/dbraw/zinc/59/32/23/356593223.db2.gz MLWCWSFRKLMODM-UHFFFAOYSA-N 1 3 260.382 -0.138 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000627171211 356593271 /nfs/dbraw/zinc/59/32/71/356593271.db2.gz RLNSBQHZNOULAH-QWRGUYRKSA-N 1 3 258.366 -0.386 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000627171393 356593335 /nfs/dbraw/zinc/59/33/35/356593335.db2.gz UZWRAMHGZIQAEG-QWRGUYRKSA-N 1 3 258.366 -0.386 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[NH2+]1 ZINC000627118023 356587125 /nfs/dbraw/zinc/58/71/25/356587125.db2.gz NEOOQWTUMVURQR-DTWKUNHWSA-N 1 3 294.359 -0.419 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131868 356587641 /nfs/dbraw/zinc/58/76/41/356587641.db2.gz XEWCPTSRVKGDOA-DGCLKSJQSA-N 1 3 284.404 -0.117 20 0 CBADHO N[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1F ZINC000627219109 356608158 /nfs/dbraw/zinc/60/81/58/356608158.db2.gz PSYKPRMXYSMLQC-NXEZZACHSA-N 1 3 262.329 -0.568 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000627244711 356611383 /nfs/dbraw/zinc/61/13/83/356611383.db2.gz GSVSEEKFQASDNF-VHSXEESVSA-N 1 3 254.334 -0.879 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627248428 356612176 /nfs/dbraw/zinc/61/21/76/356612176.db2.gz GUFDGSSMRSPWOG-ZIAGYGMSSA-N 1 3 295.431 -0.230 20 0 CBADHO C[NH2+]CCOCCNC(=O)N(C)CCN1CCCC1 ZINC000627178795 356595597 /nfs/dbraw/zinc/59/55/97/356595597.db2.gz YETJZLCBKZXLRA-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2CN)C[NH2+]1 ZINC000627208021 356605117 /nfs/dbraw/zinc/60/51/17/356605117.db2.gz VOSVOXPMYLJOAW-IJLUTSLNSA-N 1 3 269.393 -0.589 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000627365404 356633603 /nfs/dbraw/zinc/63/36/03/356633603.db2.gz NWLPAHHAHBCSAB-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627379870 356635992 /nfs/dbraw/zinc/63/59/92/356635992.db2.gz AACUWSXYLJQPMC-WCFLWFBJSA-N 1 3 294.399 -0.547 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000627369283 356634358 /nfs/dbraw/zinc/63/43/58/356634358.db2.gz PUAJGYFBYYJXER-NSHDSACASA-N 1 3 286.420 -0.114 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627378023 356635167 /nfs/dbraw/zinc/63/51/67/356635167.db2.gz ZVCCIDDWKMVZPP-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000627270193 356618532 /nfs/dbraw/zinc/61/85/32/356618532.db2.gz DNEXGOQTTSIAGU-AAVRWANBSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000627270193 356618534 /nfs/dbraw/zinc/61/85/34/356618534.db2.gz DNEXGOQTTSIAGU-AAVRWANBSA-N 1 3 281.400 -0.006 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000627304625 356622568 /nfs/dbraw/zinc/62/25/68/356622568.db2.gz AKEPSIGKPVDQJJ-FVCCEPFGSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311939 356624359 /nfs/dbraw/zinc/62/43/59/356624359.db2.gz LGUSZYKCAFWJGZ-YNEHKIRRSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000627323578 356625743 /nfs/dbraw/zinc/62/57/43/356625743.db2.gz ZGMMZGXNPJVKGK-GXFFZTMASA-N 1 3 294.399 -0.404 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000627341220 356628969 /nfs/dbraw/zinc/62/89/69/356628969.db2.gz BTTKQTAIPZAUDX-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627428413 356645705 /nfs/dbraw/zinc/64/57/05/356645705.db2.gz FBFYQHREDOBGPU-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627392672 356638254 /nfs/dbraw/zinc/63/82/54/356638254.db2.gz BLAKRTNOVAUMBT-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506159 356660903 /nfs/dbraw/zinc/66/09/03/356660903.db2.gz BXDFIQMXMBUQNG-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO NC(=O)C[C@@H]1CN([C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000629545439 356778660 /nfs/dbraw/zinc/77/86/60/356778660.db2.gz MIDTZDUSIWXCFA-UMSGYPCISA-N 1 3 267.373 -0.049 20 0 CBADHO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CN2CCCC2)O1 ZINC000629567897 356780709 /nfs/dbraw/zinc/78/07/09/356780709.db2.gz GVJIHDUZDVJFFQ-TUAOUCFPSA-N 1 3 271.361 -0.934 20 0 CBADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CN(C)CCO1 ZINC000629570103 356780856 /nfs/dbraw/zinc/78/08/56/356780856.db2.gz IASHRCNDFGAHPO-BFHYXJOUSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)[C@H]1CN(C)CCO1 ZINC000629570103 356780860 /nfs/dbraw/zinc/78/08/60/356780860.db2.gz IASHRCNDFGAHPO-BFHYXJOUSA-N 1 3 271.405 -0.248 20 0 CBADHO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)O1 ZINC000629567898 356780942 /nfs/dbraw/zinc/78/09/42/356780942.db2.gz GVJIHDUZDVJFFQ-UTUOFQBUSA-N 1 3 271.361 -0.934 20 0 CBADHO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CN2CCCC2)O1 ZINC000629567899 356781044 /nfs/dbraw/zinc/78/10/44/356781044.db2.gz GVJIHDUZDVJFFQ-WOPDTQHZSA-N 1 3 271.361 -0.934 20 0 CBADHO C[C@@]1(CNCc2nc(C[NH3+])cc(=O)[n-]2)CC[NH2+]C1 ZINC000629652262 356788853 /nfs/dbraw/zinc/78/88/53/356788853.db2.gz FHNBGPWYWFNFMJ-GFCCVEGCSA-N 1 3 251.334 -0.270 20 0 CBADHO C[C@@H]1C[C@H](CN2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666881 356788930 /nfs/dbraw/zinc/78/89/30/356788930.db2.gz RXIYXKPZASEQBW-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CN1 ZINC000629660335 356789260 /nfs/dbraw/zinc/78/92/60/356789260.db2.gz RWEATNOJVIGUJN-UPJWGTAASA-N 1 3 268.405 -0.086 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000629792255 356793560 /nfs/dbraw/zinc/79/35/60/356793560.db2.gz JGSMGWLYXHQPSA-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629801584 356796444 /nfs/dbraw/zinc/79/64/44/356796444.db2.gz AUBGGPMPBHYBSM-OLZOCXBDSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000629801584 356796448 /nfs/dbraw/zinc/79/64/48/356796448.db2.gz AUBGGPMPBHYBSM-OLZOCXBDSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629801585 356796642 /nfs/dbraw/zinc/79/66/42/356796642.db2.gz AUBGGPMPBHYBSM-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000629801585 356796643 /nfs/dbraw/zinc/79/66/43/356796643.db2.gz AUBGGPMPBHYBSM-QWHCGFSZSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000629810476 356797485 /nfs/dbraw/zinc/79/74/85/356797485.db2.gz ZMLCLDMRSCKSRF-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000629915040 356807036 /nfs/dbraw/zinc/80/70/36/356807036.db2.gz BNMROGGHFLXIKK-ZDUSSCGKSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1CCC1 ZINC000629973874 356813690 /nfs/dbraw/zinc/81/36/90/356813690.db2.gz KHIKEZOFDFUVNF-CYBMUJFWSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CCOCC[NH3+])CCC(=O)N1CCOCC1 ZINC000629578218 356782681 /nfs/dbraw/zinc/78/26/81/356782681.db2.gz HSNUUFZJWLVEFL-UHFFFAOYSA-N 1 3 259.350 -0.858 20 0 CBADHO CC(=O)NC[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000629595574 356784957 /nfs/dbraw/zinc/78/49/57/356784957.db2.gz UDGSNDUSLCMKME-AWEZNQCLSA-N 1 3 268.405 -0.118 20 0 CBADHO OC[C@H](CN1CCCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596025 356785198 /nfs/dbraw/zinc/78/51/98/356785198.db2.gz QADQRNGGCSXGER-GJZGRUSLSA-N 1 3 285.432 -0.121 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629610026 356787410 /nfs/dbraw/zinc/78/74/10/356787410.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 1 3 298.431 -0.628 20 0 CBADHO NC(=O)[C@@H]1CCCN1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629610026 356787414 /nfs/dbraw/zinc/78/74/14/356787414.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 1 3 298.431 -0.628 20 0 CBADHO CO[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630358392 356837172 /nfs/dbraw/zinc/83/71/72/356837172.db2.gz AOLDPTANYJDVHP-MBNYWOFBSA-N 1 3 285.388 -0.280 20 0 CBADHO c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@H]1CNCCO1 ZINC000630616301 356855437 /nfs/dbraw/zinc/85/54/37/356855437.db2.gz IDKWQYMSMOSRGX-DGCLKSJQSA-N 1 3 265.361 -0.191 20 0 CBADHO c1c(CN2CC[NH2+]CC2)nnn1CCN1CCCC1 ZINC000630618163 356855992 /nfs/dbraw/zinc/85/59/92/356855992.db2.gz PRLVZXTYCMMJGL-UHFFFAOYSA-N 1 3 264.377 -0.221 20 0 CBADHO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)NC1CCN(C2CC2)CC1 ZINC000631848568 356912257 /nfs/dbraw/zinc/91/22/57/356912257.db2.gz BZJDIVCYBQIGSW-JSGCOSHPSA-N 1 3 278.400 -0.225 20 0 CBADHO CS(=O)(=O)N[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000631867335 356914631 /nfs/dbraw/zinc/91/46/31/356914631.db2.gz QWWJICQMYBOJLC-NEPJUHHUSA-N 1 3 275.418 0.000 20 0 CBADHO CC[NH2+]CCCNS(=O)(=O)CCCN(C)C ZINC000631901501 356917791 /nfs/dbraw/zinc/91/77/91/356917791.db2.gz FTWAYZRADCSSAL-UHFFFAOYSA-N 1 3 251.396 -0.143 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631930161 356925179 /nfs/dbraw/zinc/92/51/79/356925179.db2.gz YNBNUYQDWJBDFW-GFCCVEGCSA-N 1 3 275.418 -0.047 20 0 CBADHO [NH3+]C[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000631929940 356925581 /nfs/dbraw/zinc/92/55/81/356925581.db2.gz RPYVTGVSSMINCY-LBPRGKRZSA-N 1 3 291.417 -0.538 20 0 CBADHO C[C@H]1C[C@@H](NS(=O)(=O)CCCN(C)C)CC[NH2+]1 ZINC000631932318 356926269 /nfs/dbraw/zinc/92/62/69/356926269.db2.gz NIIXYUPKHFBCMZ-QWRGUYRKSA-N 1 3 263.407 -0.002 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCCN(C)C ZINC000631935092 356927077 /nfs/dbraw/zinc/92/70/77/356927077.db2.gz PNSFWGSUDNQXCW-WDEREUQCSA-N 1 3 263.407 -0.145 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860114 357028837 /nfs/dbraw/zinc/02/88/37/357028837.db2.gz FBRHUDCIPSWYCL-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000633116122 357049490 /nfs/dbraw/zinc/04/94/90/357049490.db2.gz PFSBXIBAOJFHTC-IJLUTSLNSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000633118259 357050147 /nfs/dbraw/zinc/05/01/47/357050147.db2.gz IDVHGVVTCDZLQG-RYUDHWBXSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000633118260 357050174 /nfs/dbraw/zinc/05/01/74/357050174.db2.gz IDVHGVVTCDZLQG-VXGBXAGGSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000633117208 357050304 /nfs/dbraw/zinc/05/03/04/357050304.db2.gz AWHNWZOSWYDVAO-WDEREUQCSA-N 1 3 282.388 -0.513 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000633120856 357050624 /nfs/dbraw/zinc/05/06/24/357050624.db2.gz VEWCJGAKHFHNBP-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000633118756 357050732 /nfs/dbraw/zinc/05/07/32/357050732.db2.gz SOENXUBIKSLORY-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCNC1=O ZINC000633615224 357074692 /nfs/dbraw/zinc/07/46/92/357074692.db2.gz YHHHOMZZDHAOFV-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCNC1=O ZINC000633615224 357074695 /nfs/dbraw/zinc/07/46/95/357074695.db2.gz YHHHOMZZDHAOFV-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO COCCNCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270599 357114020 /nfs/dbraw/zinc/11/40/20/357114020.db2.gz OPXYXJGLQHGMCI-LLVKDONJSA-N 1 3 258.366 -0.336 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765503 357134039 /nfs/dbraw/zinc/13/40/39/357134039.db2.gz UZLUFNZPMCRGJV-WZRBSPASSA-N 1 3 253.346 -0.377 20 0 CBADHO CC(C)[C@H](C[NH3+])CN(C)CC(=O)N1CCNCC1 ZINC000634991133 357141747 /nfs/dbraw/zinc/14/17/47/357141747.db2.gz RAHFUUDBOHHCPU-GFCCVEGCSA-N 1 3 256.394 -0.419 20 0 CBADHO CN(C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533871 357122948 /nfs/dbraw/zinc/12/29/48/357122948.db2.gz SDUXFJWPKSOPQA-GRYCIOLGSA-N 1 3 281.356 -0.746 20 0 CBADHO CN(C)CCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533871 357122951 /nfs/dbraw/zinc/12/29/51/357122951.db2.gz SDUXFJWPKSOPQA-GRYCIOLGSA-N 1 3 281.356 -0.746 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC000635948316 357237645 /nfs/dbraw/zinc/23/76/45/357237645.db2.gz LBIBFYHPADSCCF-QWRGUYRKSA-N 1 3 255.362 -0.539 20 0 CBADHO C[NH+]1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636468848 357286716 /nfs/dbraw/zinc/28/67/16/357286716.db2.gz UFZGYDISIMDWDZ-LBPRGKRZSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@@H+]1CCC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636624531 357294105 /nfs/dbraw/zinc/29/41/05/357294105.db2.gz VWGRJRAUZTUXGJ-VXGBXAGGSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636624531 357294107 /nfs/dbraw/zinc/29/41/07/357294107.db2.gz VWGRJRAUZTUXGJ-VXGBXAGGSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636645219 357295454 /nfs/dbraw/zinc/29/54/54/357295454.db2.gz NSIRXJVMMQXLSI-VXGBXAGGSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636645219 357295458 /nfs/dbraw/zinc/29/54/58/357295458.db2.gz NSIRXJVMMQXLSI-VXGBXAGGSA-N 1 3 270.377 -0.554 20 0 CBADHO CC[NH2+]CCNC(=O)c1cnn(CCN(C)C)c1 ZINC000637826643 357371673 /nfs/dbraw/zinc/37/16/73/357371673.db2.gz VSUHWCNBNRIDAZ-UHFFFAOYSA-N 1 3 253.350 -0.216 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000637828258 357372764 /nfs/dbraw/zinc/37/27/64/357372764.db2.gz DLEPJNPLQDHRMO-LLVKDONJSA-N 1 3 254.378 -0.523 20 0 CBADHO COC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCCCN1 ZINC000637832194 357372884 /nfs/dbraw/zinc/37/28/84/357372884.db2.gz FYECUMCKAGDQKO-OAHLLOKOSA-N 1 3 298.431 -0.491 20 0 CBADHO C[C@H]1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907202 357311286 /nfs/dbraw/zinc/31/12/86/357311286.db2.gz LUXPAJSWVRIAQY-OBJOEFQTSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000636907202 357311293 /nfs/dbraw/zinc/31/12/93/357311293.db2.gz LUXPAJSWVRIAQY-OBJOEFQTSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923892 357312672 /nfs/dbraw/zinc/31/26/72/357312672.db2.gz ZUEWBNAACWXYMG-YUTCNCBUSA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636923892 357312676 /nfs/dbraw/zinc/31/26/76/357312676.db2.gz ZUEWBNAACWXYMG-YUTCNCBUSA-N 1 3 296.415 -0.165 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C)N[C@H](C)C2)C1 ZINC000637840977 357375576 /nfs/dbraw/zinc/37/55/76/357375576.db2.gz QMXSDGPECLPJNH-DCQANWLSSA-N 1 3 255.362 -0.038 20 0 CBADHO O=C(NCCNc1ccncc1)NCC[NH2+]C1CC1 ZINC000637329303 357339662 /nfs/dbraw/zinc/33/96/62/357339662.db2.gz JALCSOHQZZZBIN-UHFFFAOYSA-N 1 3 263.345 -0.033 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@H](C[NH3+])C2CC2)cn1 ZINC000637853852 357377441 /nfs/dbraw/zinc/37/74/41/357377441.db2.gz BEQMLYPCDZIGPR-GFCCVEGCSA-N 1 3 265.361 -0.088 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CCC([NH3+])CC1 ZINC000637799143 357365835 /nfs/dbraw/zinc/36/58/35/357365835.db2.gz RCPPACOWCSYYFW-UHFFFAOYSA-N 1 3 287.404 -0.079 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)CN1CC[NH2+]CC1 ZINC000637803747 357366995 /nfs/dbraw/zinc/36/69/95/357366995.db2.gz HXBIXWACQUJCNA-ZDUSSCGKSA-N 1 3 292.383 -0.284 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238560 357441282 /nfs/dbraw/zinc/44/12/82/357441282.db2.gz ADWPOMUYMUFTKI-UPJWGTAASA-N 1 3 267.373 -0.049 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238561 357441568 /nfs/dbraw/zinc/44/15/68/357441568.db2.gz ADWPOMUYMUFTKI-XQQFMLRXSA-N 1 3 267.373 -0.049 20 0 CBADHO CCCN(C(=O)CN1CCNCC1)C1CC[NH2+]CC1 ZINC000638046800 357405444 /nfs/dbraw/zinc/40/54/44/357405444.db2.gz JELRALUVFRBUHA-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(C)CC2)C1 ZINC000638049884 357406491 /nfs/dbraw/zinc/40/64/91/357406491.db2.gz HVMGNTDPXYCLCL-WCQYABFASA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CN1CCNCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000638071448 357410082 /nfs/dbraw/zinc/41/00/82/357410082.db2.gz DFZNZKFZXDNZCH-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638075063 357410718 /nfs/dbraw/zinc/41/07/18/357410718.db2.gz PXNIGZKOAXXJLP-KXNHARMFSA-N 1 3 253.346 -0.154 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638075063 357410723 /nfs/dbraw/zinc/41/07/23/357410723.db2.gz PXNIGZKOAXXJLP-KXNHARMFSA-N 1 3 253.346 -0.154 20 0 CBADHO COCCN(C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638091428 357414481 /nfs/dbraw/zinc/41/44/81/357414481.db2.gz NYNBEGGFEUUGLN-CYBMUJFWSA-N 1 3 273.377 -0.564 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638102084 357417875 /nfs/dbraw/zinc/41/78/75/357417875.db2.gz RQFDALCZBZGGJH-TUAOUCFPSA-N 1 3 253.346 -0.297 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102084 357417879 /nfs/dbraw/zinc/41/78/79/357417879.db2.gz RQFDALCZBZGGJH-TUAOUCFPSA-N 1 3 253.346 -0.297 20 0 CBADHO CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000638102196 357418255 /nfs/dbraw/zinc/41/82/55/357418255.db2.gz TZPNSWFPVIXQSR-GRYCIOLGSA-N 1 3 253.346 -0.202 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638124170 357421882 /nfs/dbraw/zinc/42/18/82/357421882.db2.gz SNXZXHZNBFDKOP-WDEREUQCSA-N 1 3 259.350 -0.813 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638124170 357421887 /nfs/dbraw/zinc/42/18/87/357421887.db2.gz SNXZXHZNBFDKOP-WDEREUQCSA-N 1 3 259.350 -0.813 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)CN2CCNCC2)CC1 ZINC000638127612 357422661 /nfs/dbraw/zinc/42/26/61/357422661.db2.gz DYAVGTDJQYUEKN-UHFFFAOYSA-N 1 3 297.447 -0.966 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000638137280 357424251 /nfs/dbraw/zinc/42/42/51/357424251.db2.gz SXHGCSHRYLSFQG-UHFFFAOYSA-N 1 3 289.383 -0.365 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134736 357424350 /nfs/dbraw/zinc/42/43/50/357424350.db2.gz OIFVKIGMXNDBEA-SASUGWTJSA-N 1 3 253.346 -0.299 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)c1cnn(CCN(C)C)c1 ZINC000638143226 357426160 /nfs/dbraw/zinc/42/61/60/357426160.db2.gz GWWWZILBAKRBNH-SNVBAGLBSA-N 1 3 253.350 -0.231 20 0 CBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638154166 357427344 /nfs/dbraw/zinc/42/73/44/357427344.db2.gz RRWPKFFPQHSKAV-CQSZACIVSA-N 1 3 276.384 -0.219 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638169606 357430240 /nfs/dbraw/zinc/43/02/40/357430240.db2.gz HWBGVHPEWSFNAM-ZDUSSCGKSA-N 1 3 252.362 -0.896 20 0 CBADHO COCC1(CNC(=O)CN2CCNCC2)CC[NH2+]CC1 ZINC000638225534 357437116 /nfs/dbraw/zinc/43/71/16/357437116.db2.gz ZRSRBAIDKKTQBT-UHFFFAOYSA-N 1 3 284.404 -0.976 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1CCNCC1 ZINC000638225053 357437761 /nfs/dbraw/zinc/43/77/61/357437761.db2.gz VQBVBWIJJJBFSH-QWRGUYRKSA-N 1 3 258.341 -0.950 20 0 CBADHO COC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CCCCN1 ZINC000637868665 357380320 /nfs/dbraw/zinc/38/03/20/357380320.db2.gz YQUVIEVZLUHPOT-DYEKYZERSA-N 1 3 285.388 -0.280 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000638579351 357497722 /nfs/dbraw/zinc/49/77/22/357497722.db2.gz OZGMYTKCZWELGJ-SLEUVZQESA-N 1 3 299.415 -0.129 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCOCC[NH2+]C)C1(C)C ZINC000638579080 357497883 /nfs/dbraw/zinc/49/78/83/357497883.db2.gz LZCMAWQLHGYSPL-BXUZGUMPSA-N 1 3 287.404 -0.129 20 0 CBADHO C[NH2+]CCOCCNC(=O)CNC[C@@H]1CCCO1 ZINC000638585306 357498534 /nfs/dbraw/zinc/49/85/34/357498534.db2.gz XLNROVUQAFDCAZ-NSHDSACASA-N 1 3 259.350 -0.893 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000638592935 357499527 /nfs/dbraw/zinc/49/95/27/357499527.db2.gz WEPZRKMEECPJNE-LLVKDONJSA-N 1 3 275.418 -0.224 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638264891 357445947 /nfs/dbraw/zinc/44/59/47/357445947.db2.gz YSGMYOSIUWLZLT-RVMXOQNASA-N 1 3 267.373 -0.049 20 0 CBADHO N[C@H]1CCO[C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638268645 357446893 /nfs/dbraw/zinc/44/68/93/357446893.db2.gz RWTXAXVFWBAZMK-RRKCRQDMSA-N 1 3 255.240 -0.502 20 0 CBADHO CC(C)(O)C[NH+]1CCC(NCCOCCO)CC1 ZINC000638291977 357453004 /nfs/dbraw/zinc/45/30/04/357453004.db2.gz CZOWSBRWZDBXDF-UHFFFAOYSA-N 1 3 260.378 -0.180 20 0 CBADHO C[C@H]1CCN(C(=O)CN2CCNCC2)C[C@H]1C[NH3+] ZINC000638342214 357460389 /nfs/dbraw/zinc/46/03/89/357460389.db2.gz LRSCKRLDZSZKSP-NWDGAFQWSA-N 1 3 254.378 -0.665 20 0 CBADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638363143 357462850 /nfs/dbraw/zinc/46/28/50/357462850.db2.gz JFLIDHPERANTSA-LLVKDONJSA-N 1 3 293.419 -0.583 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638432837 357475681 /nfs/dbraw/zinc/47/56/81/357475681.db2.gz NKMDRBJISUBNJA-FRRDWIJNSA-N 1 3 285.388 -0.328 20 0 CBADHO CC(C)[C@H]1CNCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638484131 357482939 /nfs/dbraw/zinc/48/29/39/357482939.db2.gz OLSIWTPYJYPMDA-VXGBXAGGSA-N 1 3 255.362 -0.179 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC[C@@H]1C(C)C ZINC000638488337 357484358 /nfs/dbraw/zinc/48/43/58/357484358.db2.gz GGSLZFVTXSDZON-YPMHNXCESA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C(=O)N[C@H]1CC[NH2+]C12CCC2)S(C)(=O)=O ZINC000638503397 357490861 /nfs/dbraw/zinc/49/08/61/357490861.db2.gz ICUZOPSMSVIPOP-IUCAKERBSA-N 1 3 260.359 -0.180 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513562 357491763 /nfs/dbraw/zinc/49/17/63/357491763.db2.gz NEVBUUOMHPDQAL-LLVKDONJSA-N 1 3 252.362 -0.708 20 0 CBADHO C[NH+]1CCC(CNCc2cnc(N)nc2N)CC1 ZINC000638566177 357494197 /nfs/dbraw/zinc/49/41/97/357494197.db2.gz CPAKIUXQQRWJKG-UHFFFAOYSA-N 1 3 250.350 -0.267 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643100 357514886 /nfs/dbraw/zinc/51/48/86/357514886.db2.gz KOWKUCCUDYPPNP-UMNHJUIQSA-N 1 3 270.377 -0.657 20 0 CBADHO [NH3+]CCCOCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000638663355 357518286 /nfs/dbraw/zinc/51/82/86/357518286.db2.gz MNMQKVAPGLXASJ-VIFPVBQESA-N 1 3 265.304 -0.287 20 0 CBADHO CN(CCOCC[NH3+])C(=O)C[C@H]1CSCCN1 ZINC000638674505 357518858 /nfs/dbraw/zinc/51/88/58/357518858.db2.gz LLRLYIMGPOVJBH-JTQLQIEISA-N 1 3 261.391 -0.485 20 0 CBADHO COC[C@]1(C(=O)N(C)CCOCC[NH3+])CCCCN1 ZINC000638674665 357518909 /nfs/dbraw/zinc/51/89/09/357518909.db2.gz XRQJOGCWGCYAEF-ZDUSSCGKSA-N 1 3 273.377 -0.421 20 0 CBADHO COCCNCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780968 357528231 /nfs/dbraw/zinc/52/82/31/357528231.db2.gz YBGHHEBFHFZYDA-AWEZNQCLSA-N 1 3 299.415 -0.161 20 0 CBADHO CNCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780983 357528235 /nfs/dbraw/zinc/52/82/35/357528235.db2.gz YPZDNBCCLQOGRF-LBPRGKRZSA-N 1 3 255.362 -0.177 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CC[NH2+]C2)C1(C)C ZINC000638801803 357532365 /nfs/dbraw/zinc/53/23/65/357532365.db2.gz LPCZAFWPOFAKNT-BREBYQMCSA-N 1 3 255.362 -0.003 20 0 CBADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CN2CCC1CC2 ZINC000638853496 357539311 /nfs/dbraw/zinc/53/93/11/357539311.db2.gz HPGCYWFKLNODHV-OLZOCXBDSA-N 1 3 294.399 -0.593 20 0 CBADHO COC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCCN1 ZINC000638919091 357544219 /nfs/dbraw/zinc/54/42/19/357544219.db2.gz XXGITWDNAHEMPU-GMXVVIOVSA-N 1 3 253.346 -0.282 20 0 CBADHO CN(C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cn1 ZINC000638918765 357544541 /nfs/dbraw/zinc/54/45/41/357544541.db2.gz TWALPQWPYFQNIN-RYUDHWBXSA-N 1 3 263.345 -0.369 20 0 CBADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1CCN1 ZINC000638985125 357549337 /nfs/dbraw/zinc/54/93/37/357549337.db2.gz ZOQPBGFIAPTFGO-LLVKDONJSA-N 1 3 261.329 -0.208 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639028242 357555410 /nfs/dbraw/zinc/55/54/10/357555410.db2.gz XQOGDUZFFDFUPO-YNEHKIRRSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[N@H+](C)C[C@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222716 357683174 /nfs/dbraw/zinc/68/31/74/357683174.db2.gz NOGPZWFELYPRKE-LBPRGKRZSA-N 1 3 255.366 -0.305 20 0 CBADHO CC[N@@H+](C)C[C@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222716 357683178 /nfs/dbraw/zinc/68/31/78/357683178.db2.gz NOGPZWFELYPRKE-LBPRGKRZSA-N 1 3 255.366 -0.305 20 0 CBADHO NS(=O)(=O)CCCN1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798641 357742341 /nfs/dbraw/zinc/74/23/41/357742341.db2.gz PAMNNRPTOWNENK-GMTAPVOTSA-N 1 3 261.391 -0.276 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642431139 357754578 /nfs/dbraw/zinc/75/45/78/357754578.db2.gz FHPUDYXIRMLGBY-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000642439493 357755187 /nfs/dbraw/zinc/75/51/87/357755187.db2.gz JHMIPPFBRWMXND-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000642439454 357755322 /nfs/dbraw/zinc/75/53/22/357755322.db2.gz HOCCTWKMOSLWRV-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000642439550 357755354 /nfs/dbraw/zinc/75/53/54/357755354.db2.gz LUBAMSWMQQRQQF-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642439560 357755679 /nfs/dbraw/zinc/75/56/79/357755679.db2.gz MCKAZWPGZUHHQP-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642712987 357759033 /nfs/dbraw/zinc/75/90/33/357759033.db2.gz ANBXBVUMVMFZQF-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000642733284 357760271 /nfs/dbraw/zinc/76/02/71/357760271.db2.gz CJDUIBKVRISUSF-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000642773329 357761436 /nfs/dbraw/zinc/76/14/36/357761436.db2.gz QXISLXNUXZYIDN-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000642895454 357764689 /nfs/dbraw/zinc/76/46/89/357764689.db2.gz KHRIZPQDGJPGMD-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902392 357765744 /nfs/dbraw/zinc/76/57/44/357765744.db2.gz RJRSDQCCMNBHMZ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000642909330 357767644 /nfs/dbraw/zinc/76/76/44/357767644.db2.gz KTRWIBOKFGAIFZ-SDDRHHMPSA-N 1 3 284.404 -0.171 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000642917421 357769273 /nfs/dbraw/zinc/76/92/73/357769273.db2.gz ILYPFOHIIIKVME-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919807 357770311 /nfs/dbraw/zinc/77/03/11/357770311.db2.gz HPJZFMOFWOVUMH-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CN1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643472254 357784255 /nfs/dbraw/zinc/78/42/55/357784255.db2.gz MQNMNNDQBHVUIL-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CN[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643472256 357784441 /nfs/dbraw/zinc/78/44/41/357784441.db2.gz MQNMNNDQBHVUIL-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@@H]2CCC[C@@H]21 ZINC000643500301 357785824 /nfs/dbraw/zinc/78/58/24/357785824.db2.gz ABLSHPYCSJADGW-IHRRRGAJSA-N 1 3 280.416 -0.119 20 0 CBADHO C[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@@H]2CCC[C@@H]21 ZINC000643500301 357785830 /nfs/dbraw/zinc/78/58/30/357785830.db2.gz ABLSHPYCSJADGW-IHRRRGAJSA-N 1 3 280.416 -0.119 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419414612 283385242 /nfs/dbraw/zinc/38/52/42/283385242.db2.gz TZSGOHJVYGBSSH-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419166202 283528331 /nfs/dbraw/zinc/52/83/31/283528331.db2.gz HFNNAVQGYURNFS-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423592510 283549450 /nfs/dbraw/zinc/54/94/50/283549450.db2.gz KVUKGFCJTCTIDD-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO COCc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000548151235 283813721 /nfs/dbraw/zinc/81/37/21/283813721.db2.gz IJTBPFDILKKIKW-UHFFFAOYSA-N 1 3 299.375 -0.219 20 0 CBADHO C[C@]1(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]C1 ZINC000514949309 291380618 /nfs/dbraw/zinc/38/06/18/291380618.db2.gz DKQTYRGGPKOFKQ-WZRBSPASSA-N 1 3 252.362 -0.770 20 0 CBADHO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583836 335222277 /nfs/dbraw/zinc/22/22/77/335222277.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583836 335222278 /nfs/dbraw/zinc/22/22/78/335222278.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583836 335222280 /nfs/dbraw/zinc/22/22/80/335222280.db2.gz FDSLCEYHOFJPKS-HIFRSBDPSA-N 1 3 285.432 -0.122 20 0 CBADHO C[C@@H](O)C(=O)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705413 296167757 /nfs/dbraw/zinc/16/77/57/296167757.db2.gz LOOHFWGXKNZPSL-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH2+]CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000237239617 189870047 /nfs/dbraw/zinc/87/00/47/189870047.db2.gz ZQBKSRUKEKOMPI-UHFFFAOYSA-N 1 3 292.383 -0.186 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC1=O ZINC000344048780 217028234 /nfs/dbraw/zinc/02/82/34/217028234.db2.gz NWGZVYKFYGBKJW-CHWSQXEVSA-N 1 3 296.415 -0.536 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048780 217028237 /nfs/dbraw/zinc/02/82/37/217028237.db2.gz NWGZVYKFYGBKJW-CHWSQXEVSA-N 1 3 296.415 -0.536 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132208 205056786 /nfs/dbraw/zinc/05/67/86/205056786.db2.gz BWKQDYMDSGSMQF-TZMCWYRMSA-N 1 3 295.431 -0.327 20 0 CBADHO CO[C@@H](CN)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353432986 220081135 /nfs/dbraw/zinc/08/11/35/220081135.db2.gz SRQAJFZNAHACQM-GXSJLCMTSA-N 1 3 261.391 -0.486 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000353438073 220082321 /nfs/dbraw/zinc/08/23/21/220082321.db2.gz YUWDBRWFLIQKQI-XQQFMLRXSA-N 1 3 287.404 -0.034 20 0 CBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000353449621 220089252 /nfs/dbraw/zinc/08/92/52/220089252.db2.gz NVXPTIPMXBBLLD-STQMWFEESA-N 1 3 287.404 -0.081 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333399268 205288678 /nfs/dbraw/zinc/28/86/78/205288678.db2.gz PSXLHODEYUNWFB-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO CN(C(=O)NC[C@@H]1CCCN1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947677 373012655 /nfs/dbraw/zinc/01/26/55/373012655.db2.gz VTBUKQHCOAKDML-DCAQKATOSA-N 1 3 256.350 -0.945 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333803418 373014164 /nfs/dbraw/zinc/01/41/64/373014164.db2.gz IFDUKSUSIGCELK-NWDGAFQWSA-N 1 3 282.388 -0.112 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333933179 373014494 /nfs/dbraw/zinc/01/44/94/373014494.db2.gz HLMQVDRPMIDCTD-ZIAGYGMSSA-N 1 3 295.431 -0.230 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343310228 373049448 /nfs/dbraw/zinc/04/94/48/373049448.db2.gz MXKUVCCCJCMOBG-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187521 373071690 /nfs/dbraw/zinc/07/16/90/373071690.db2.gz CDXJGFKPWGCDRM-GHMZBOCLSA-N 1 3 280.372 -0.357 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388239 373398747 /nfs/dbraw/zinc/39/87/47/373398747.db2.gz FVBXYCUYRCTSFR-KGLIPLIRSA-N 1 3 282.432 -0.110 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388239 373398755 /nfs/dbraw/zinc/39/87/55/373398755.db2.gz FVBXYCUYRCTSFR-KGLIPLIRSA-N 1 3 282.432 -0.110 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388238 373400187 /nfs/dbraw/zinc/40/01/87/373400187.db2.gz FVBXYCUYRCTSFR-KBPBESRZSA-N 1 3 282.432 -0.110 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000362388238 373400189 /nfs/dbraw/zinc/40/01/89/373400189.db2.gz FVBXYCUYRCTSFR-KBPBESRZSA-N 1 3 282.432 -0.110 20 0 CBADHO O=C([C@H]1CCCCN1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375956879 373569018 /nfs/dbraw/zinc/56/90/18/373569018.db2.gz FPCGZUKAZXAUSP-CHWSQXEVSA-N 1 3 266.389 -0.365 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417441395 373627735 /nfs/dbraw/zinc/62/77/35/373627735.db2.gz PXIBOXLCSOWGMD-SECBINFHSA-N 1 3 282.335 -0.154 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417277074 373628133 /nfs/dbraw/zinc/62/81/33/373628133.db2.gz GECGQSVVEFFAAL-GRYCIOLGSA-N 1 3 252.362 -0.059 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417439997 373628221 /nfs/dbraw/zinc/62/82/21/373628221.db2.gz NHENESGDAQYCGW-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417442170 373628488 /nfs/dbraw/zinc/62/84/88/373628488.db2.gz SPKYERWKECOAFD-NEPJUHHUSA-N 1 3 272.393 -0.138 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417448050 373628995 /nfs/dbraw/zinc/62/89/95/373628995.db2.gz SRYCLNCTKPQHTF-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417448050 373629002 /nfs/dbraw/zinc/62/90/02/373629002.db2.gz SRYCLNCTKPQHTF-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417095904 373629055 /nfs/dbraw/zinc/62/90/55/373629055.db2.gz UYLUQMRRBMWKID-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCNC(C)(C)C1 ZINC000417443367 373629949 /nfs/dbraw/zinc/62/99/49/373629949.db2.gz YBFZQYFTHCHRDF-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCNC(C)(C)C1 ZINC000417443367 373629955 /nfs/dbraw/zinc/62/99/55/373629955.db2.gz YBFZQYFTHCHRDF-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000418699116 373633523 /nfs/dbraw/zinc/63/35/23/373633523.db2.gz NSWWBSQLXWVKON-SDDRHHMPSA-N 1 3 272.393 -0.132 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCNc1ccncc1 ZINC000418763171 373634933 /nfs/dbraw/zinc/63/49/33/373634933.db2.gz MPTLSZSYGWFNAN-CYBMUJFWSA-N 1 3 292.387 -0.882 20 0 CBADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NCCN)([NH+](C)C)C1 ZINC000418925705 373635080 /nfs/dbraw/zinc/63/50/80/373635080.db2.gz RKAGBDKPWXICBF-FZMZJTMJSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419111655 373635721 /nfs/dbraw/zinc/63/57/21/373635721.db2.gz UGYDVRXLCSHCMT-YPMHNXCESA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419431707 373638389 /nfs/dbraw/zinc/63/83/89/373638389.db2.gz XRQHWJFYUAHUSQ-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419520683 373639327 /nfs/dbraw/zinc/63/93/27/373639327.db2.gz IORKLVWZRAQKOW-CYBMUJFWSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C[NH3+])CC2)CC1 ZINC000430606015 373673382 /nfs/dbraw/zinc/67/33/82/373673382.db2.gz VFOJJPYTRUVFRK-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)C ZINC000449695611 373687647 /nfs/dbraw/zinc/68/76/47/373687647.db2.gz IVKURAKWQIJRFM-RYUDHWBXSA-N 1 3 256.394 -0.408 20 0 CBADHO C[C@H]([NH3+])CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000515060622 373774413 /nfs/dbraw/zinc/77/44/13/373774413.db2.gz VZHTXNHXOSTHNZ-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@H]([NH3+])CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000515060623 373774917 /nfs/dbraw/zinc/77/49/17/373774917.db2.gz VZHTXNHXOSTHNZ-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000514722348 373761641 /nfs/dbraw/zinc/76/16/41/373761641.db2.gz GAUIMJYLYOXTIG-UHFFFAOYSA-N 1 3 290.367 -0.548 20 0 CBADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N(C)C ZINC000514727310 373762979 /nfs/dbraw/zinc/76/29/79/373762979.db2.gz SONHZIHYCUEVKT-RWMBFGLXSA-N 1 3 296.415 -0.489 20 0 CBADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516555207 373815545 /nfs/dbraw/zinc/81/55/45/373815545.db2.gz JPJYAOLKUDCEHO-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000519771268 373823669 /nfs/dbraw/zinc/82/36/69/373823669.db2.gz QPPNKEBWVFSVRR-AVGNSLFASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000520226253 373830738 /nfs/dbraw/zinc/83/07/38/373830738.db2.gz FGMPSEUVZQOQEX-QWRGUYRKSA-N 1 3 272.393 -0.132 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000520228222 373830834 /nfs/dbraw/zinc/83/08/34/373830834.db2.gz AEUBHBZUDAJNCN-VWYCJHECSA-N 1 3 255.387 -0.098 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000520810291 373835435 /nfs/dbraw/zinc/83/54/35/373835435.db2.gz LKRGLEFMAAWFAO-UTLUCORTSA-N 1 3 257.334 -0.619 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000520841103 373836505 /nfs/dbraw/zinc/83/65/05/373836505.db2.gz DWBLAENATHWXES-UKKRHICBSA-N 1 3 283.376 -0.934 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380720 373786762 /nfs/dbraw/zinc/78/67/62/373786762.db2.gz FOHUDEQIDIRALM-CMPLNLGQSA-N 1 3 292.387 -0.161 20 0 CBADHO C[C@H]1CN(CCN2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846084 373797640 /nfs/dbraw/zinc/79/76/40/373797640.db2.gz CDQFDVVYCQRZID-KBPBESRZSA-N 1 3 298.431 -0.506 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000521441375 373841112 /nfs/dbraw/zinc/84/11/12/373841112.db2.gz NNTWKWSZWVRCPN-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)N(C)C ZINC000521269460 373841605 /nfs/dbraw/zinc/84/16/05/373841605.db2.gz ARHPMUZDSNHLBC-NEPJUHHUSA-N 1 3 286.420 -0.245 20 0 CBADHO COCCNCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000521890905 373854489 /nfs/dbraw/zinc/85/44/89/373854489.db2.gz GORCWECREXRTPL-UHFFFAOYSA-N 1 3 255.362 -0.048 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000521998599 373856646 /nfs/dbraw/zinc/85/66/46/373856646.db2.gz YWUPNOMXXFVGEG-OLZOCXBDSA-N 1 3 296.415 -0.183 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000521998599 373856652 /nfs/dbraw/zinc/85/66/52/373856652.db2.gz YWUPNOMXXFVGEG-OLZOCXBDSA-N 1 3 296.415 -0.183 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000574451845 335020744 /nfs/dbraw/zinc/02/07/44/335020744.db2.gz QDJLAQRQWTWSOG-DZGCQCFKSA-N 1 3 288.395 -0.107 20 0 CBADHO [NH3+]CC1(NC(=O)N[C@@H]2CNCCC2(F)F)CCOCC1 ZINC000529344415 374009282 /nfs/dbraw/zinc/00/92/82/374009282.db2.gz YRNHNXQNMBGTPF-SECBINFHSA-N 1 3 292.330 -0.209 20 0 CBADHO CCCC(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357212 374131584 /nfs/dbraw/zinc/13/15/84/374131584.db2.gz AGUVRZCALWZBBC-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000530641789 374091530 /nfs/dbraw/zinc/09/15/30/374091530.db2.gz LRPCPLJWZAGFAP-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@H]21 ZINC000566561414 374331005 /nfs/dbraw/zinc/33/10/05/374331005.db2.gz YETKVQSKHSBRHH-YVECIDJPSA-N 1 3 267.373 -0.049 20 0 CBADHO COCCNCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577868681 374342615 /nfs/dbraw/zinc/34/26/15/374342615.db2.gz GSSBWELBKQJYLG-ZFWWWQNUSA-N 1 3 299.415 -0.033 20 0 CBADHO COCCNCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577868680 374342627 /nfs/dbraw/zinc/34/26/27/374342627.db2.gz GSSBWELBKQJYLG-UKRRQHHQSA-N 1 3 299.415 -0.033 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H](CN)C1 ZINC000583311918 374361014 /nfs/dbraw/zinc/36/10/14/374361014.db2.gz HPZSDJCLNMAQGJ-YNEHKIRRSA-N 1 3 283.420 -0.212 20 0 CBADHO COC[C@@]1(CNC(=O)[C@@H]2NCC2(C)C)CCC[NH2+]1 ZINC000644125917 374490291 /nfs/dbraw/zinc/49/02/91/374490291.db2.gz BHGUOCYNVZLBRE-GWCFXTLKSA-N 1 3 255.362 -0.131 20 0 CBADHO CCC[NH2+]CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000574519623 335026066 /nfs/dbraw/zinc/02/60/66/335026066.db2.gz RSOIGBDHPIXKJX-NSHDSACASA-N 1 3 258.366 -0.798 20 0 CBADHO C[N@H+](C[C@H](O)CNC[C@H]1CCCNC1=O)C1CC1 ZINC000644555024 374593084 /nfs/dbraw/zinc/59/30/84/374593084.db2.gz AOPWOGNGTMYCTQ-ZYHUDNBSSA-N 1 3 255.362 -0.443 20 0 CBADHO C[N@@H+](C[C@H](O)CNC[C@H]1CCCNC1=O)C1CC1 ZINC000644555024 374593087 /nfs/dbraw/zinc/59/30/87/374593087.db2.gz AOPWOGNGTMYCTQ-ZYHUDNBSSA-N 1 3 255.362 -0.443 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561575 374595400 /nfs/dbraw/zinc/59/54/00/374595400.db2.gz AZIXHHITTYGRTH-OCCSQVGLSA-N 1 3 271.405 -0.248 20 0 CBADHO C[N@H+](C[C@H](O)CNC1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640865 374604300 /nfs/dbraw/zinc/60/43/00/374604300.db2.gz DKGRZPPHSOTAPU-RTYFJBAXSA-N 1 3 291.417 -0.889 20 0 CBADHO C[N@@H+](C[C@H](O)CNC1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000644640865 374604304 /nfs/dbraw/zinc/60/43/04/374604304.db2.gz DKGRZPPHSOTAPU-RTYFJBAXSA-N 1 3 291.417 -0.889 20 0 CBADHO [NH3+]CCOCC(=O)N1CCN(c2ccncc2)CC1 ZINC000645220931 374651980 /nfs/dbraw/zinc/65/19/80/374651980.db2.gz CELOMVUVADJJRP-UHFFFAOYSA-N 1 3 264.329 -0.295 20 0 CBADHO CN1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645684668 374693110 /nfs/dbraw/zinc/69/31/10/374693110.db2.gz DGWFTLKNJORMQV-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO COC[C@@]1(C(=O)NCCN2CCC(OC)CC2)CC[NH2+]C1 ZINC000646180760 374750092 /nfs/dbraw/zinc/75/00/92/374750092.db2.gz AECNEAIWHQCEHH-OAHLLOKOSA-N 1 3 299.415 -0.161 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000646216643 374759487 /nfs/dbraw/zinc/75/94/87/374759487.db2.gz LDCLIPSRZMRPAJ-UWVGGRQHSA-N 1 3 256.350 -0.504 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000645951640 374717116 /nfs/dbraw/zinc/71/71/16/374717116.db2.gz SATMMSDEGDRZQE-GRYCIOLGSA-N 1 3 255.362 -0.179 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646003214 374724679 /nfs/dbraw/zinc/72/46/79/374724679.db2.gz WMWYLRVVLIOESH-ZIAGYGMSSA-N 1 3 298.431 -0.411 20 0 CBADHO C[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003034 374724760 /nfs/dbraw/zinc/72/47/60/374724760.db2.gz OGFIVRHDPYCLJQ-VXGBXAGGSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003034 374724765 /nfs/dbraw/zinc/72/47/65/374724765.db2.gz OGFIVRHDPYCLJQ-VXGBXAGGSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000646108718 374741175 /nfs/dbraw/zinc/74/11/75/374741175.db2.gz XGYMUPKKOYOXOH-CHWSQXEVSA-N 1 3 282.432 -0.016 20 0 CBADHO C[NH2+]CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000646680226 374803286 /nfs/dbraw/zinc/80/32/86/374803286.db2.gz ATXVABGVYZJLDS-GBIKHYSHSA-N 1 3 255.362 -0.146 20 0 CBADHO CN1CCN(C(=O)[C@H]2CNCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835441 374821581 /nfs/dbraw/zinc/82/15/81/374821581.db2.gz CSCALOWXYVFNKC-ZFWWWQNUSA-N 1 3 288.395 -0.025 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CNCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835438 374822445 /nfs/dbraw/zinc/82/24/45/374822445.db2.gz CSCALOWXYVFNKC-DZGCQCFKSA-N 1 3 288.395 -0.025 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)N2CCNCC2)CCO1 ZINC000646844029 374825503 /nfs/dbraw/zinc/82/55/03/374825503.db2.gz NXIAOELINUFKFR-RYUDHWBXSA-N 1 3 284.404 -0.755 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000646843027 374825737 /nfs/dbraw/zinc/82/57/37/374825737.db2.gz GPOZNNVYPWZADM-GARJFASQSA-N 1 3 273.402 -0.344 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000646843028 374826131 /nfs/dbraw/zinc/82/61/31/374826131.db2.gz GPOZNNVYPWZADM-HBNTYKKESA-N 1 3 273.402 -0.344 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646349151 374772448 /nfs/dbraw/zinc/77/24/48/374772448.db2.gz ZOBUBXORAIMQDY-CHWSQXEVSA-N 1 3 268.405 -0.134 20 0 CBADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646349152 374772534 /nfs/dbraw/zinc/77/25/34/374772534.db2.gz ZOBUBXORAIMQDY-QWHCGFSZSA-N 1 3 268.405 -0.134 20 0 CBADHO CC1(C)CN[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363887 374773502 /nfs/dbraw/zinc/77/35/02/374773502.db2.gz KCRCKGYLJKRKNX-NEPJUHHUSA-N 1 3 266.389 -0.510 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051070 374874993 /nfs/dbraw/zinc/87/49/93/374874993.db2.gz RDNNHPVFOSUVFW-FRRDWIJNSA-N 1 3 267.373 -0.131 20 0 CBADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CCNCC1 ZINC000647082840 374882189 /nfs/dbraw/zinc/88/21/89/374882189.db2.gz NUYKDXRTVHQLLU-NEPJUHHUSA-N 1 3 268.405 -0.086 20 0 CBADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CNCCO1 ZINC000647086473 374883753 /nfs/dbraw/zinc/88/37/53/374883753.db2.gz QBKMAUNNPAVOPG-GRYCIOLGSA-N 1 3 255.362 -0.001 20 0 CBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000647087920 374884373 /nfs/dbraw/zinc/88/43/73/374884373.db2.gz WVOMFCJUVPPQBO-NEPJUHHUSA-N 1 3 292.387 -0.102 20 0 CBADHO CC[C@@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1[NH3+] ZINC000647015232 374859825 /nfs/dbraw/zinc/85/98/25/374859825.db2.gz KUKDXCVVHMGSLB-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1[NH3+] ZINC000647015230 374860009 /nfs/dbraw/zinc/86/00/09/374860009.db2.gz KUKDXCVVHMGSLB-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C1CC1 ZINC000574632495 335035170 /nfs/dbraw/zinc/03/51/70/335035170.db2.gz XGYWUQXQSVTTRT-UKRRQHHQSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)CN1 ZINC000356399099 248247142 /nfs/dbraw/zinc/24/71/42/248247142.db2.gz YFCDKAYNMWAHKE-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO [NH3+]CCOCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000357066912 248315707 /nfs/dbraw/zinc/31/57/07/248315707.db2.gz CYVHBKVXRCJJKL-UHFFFAOYSA-N 1 3 284.404 -0.798 20 0 CBADHO CC[C@@H]1CN(CCOCC[NH3+])CCN1C[C@H](C)O ZINC000357077968 248320085 /nfs/dbraw/zinc/32/00/85/248320085.db2.gz JOPUVZVYDIVBGN-QWHCGFSZSA-N 1 3 259.394 -0.261 20 0 CBADHO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H]2COCCN2)CC1 ZINC000357225477 248334550 /nfs/dbraw/zinc/33/45/50/248334550.db2.gz NIUKYHKFYSFESZ-ZIAGYGMSSA-N 1 3 298.431 -0.493 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCOC1CNC1 ZINC000349025591 295266189 /nfs/dbraw/zinc/26/61/89/295266189.db2.gz ICVFLKWFBYZILV-PWSUYJOCSA-N 1 3 255.362 -0.001 20 0 CBADHO CCC[C@H]1CNCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653129000 412885556 /nfs/dbraw/zinc/88/55/56/412885556.db2.gz JFUMYPXVIYVCOQ-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO COCCNCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127643 412885563 /nfs/dbraw/zinc/88/55/63/412885563.db2.gz QLCRIMUAMGCACB-VXGBXAGGSA-N 1 3 255.362 -0.131 20 0 CBADHO CN1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000347660466 218312159 /nfs/dbraw/zinc/31/21/59/218312159.db2.gz WKPKQLPCLPNFKT-NSHDSACASA-N 1 3 268.361 -0.981 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574742848 335043711 /nfs/dbraw/zinc/04/37/11/335043711.db2.gz LFWBDUBXBCSLSM-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574755014 335044775 /nfs/dbraw/zinc/04/47/75/335044775.db2.gz SFXBUUSGDBOCBD-AGIUHOORSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH3+] ZINC000418881550 207615103 /nfs/dbraw/zinc/61/51/03/207615103.db2.gz XMMAABRGRVPNRF-ZDUSSCGKSA-N 1 3 292.383 -0.650 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419402622 207686767 /nfs/dbraw/zinc/68/67/67/207686767.db2.gz CMNXLWIORACLBA-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419524537 207700214 /nfs/dbraw/zinc/70/02/14/207700214.db2.gz QAOYJGHSBMGGLQ-GFCCVEGCSA-N 1 3 282.388 -0.560 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417567433 285024550 /nfs/dbraw/zinc/02/45/50/285024550.db2.gz NNUVYHRGZBXABY-WDEREUQCSA-N 1 3 258.366 -0.256 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167263505 285025730 /nfs/dbraw/zinc/02/57/30/285025730.db2.gz GLBYHYRVGNYARK-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376719510 285026918 /nfs/dbraw/zinc/02/69/18/285026918.db2.gz DFLISQZFGPZJDP-DGCLKSJQSA-N 1 3 273.352 -0.085 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000515618939 285033451 /nfs/dbraw/zinc/03/34/51/285033451.db2.gz AAFXDRCDURVJGJ-NEPJUHHUSA-N 1 3 270.377 -0.160 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423382763 285035769 /nfs/dbraw/zinc/03/57/69/285035769.db2.gz PCOHCGMGOXACMB-ZFWWWQNUSA-N 1 3 299.415 -0.161 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862210 207747181 /nfs/dbraw/zinc/74/71/81/207747181.db2.gz MWHUBWNZANXETF-CYBMUJFWSA-N 1 3 298.431 -0.114 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423382759 285037793 /nfs/dbraw/zinc/03/77/93/285037793.db2.gz PCOHCGMGOXACMB-DZGCQCFKSA-N 1 3 299.415 -0.161 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000447435652 285054153 /nfs/dbraw/zinc/05/41/53/285054153.db2.gz QCJHSCTUCUNCJH-GHMZBOCLSA-N 1 3 259.350 -0.813 20 0 CBADHO CCN1CCN(CCC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000429037346 208107345 /nfs/dbraw/zinc/10/73/45/208107345.db2.gz XGTDHXUAODSJPB-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[C@H]1[NH3+] ZINC000429166132 208111341 /nfs/dbraw/zinc/11/13/41/208111341.db2.gz UGCZKEIEPHMTBY-FRRDWIJNSA-N 1 3 296.415 -0.408 20 0 CBADHO O=C(COC1CNC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430715994 208174805 /nfs/dbraw/zinc/17/48/05/208174805.db2.gz RNXVFIZMIXFRRM-SNVBAGLBSA-N 1 3 253.346 -0.425 20 0 CBADHO O=C(COC1CNC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000430715994 208174808 /nfs/dbraw/zinc/17/48/08/208174808.db2.gz RNXVFIZMIXFRRM-SNVBAGLBSA-N 1 3 253.346 -0.425 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430711720 208174918 /nfs/dbraw/zinc/17/49/18/208174918.db2.gz GCDSCGUREZAPRX-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)N1CC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629332 208167964 /nfs/dbraw/zinc/16/79/64/208167964.db2.gz PWYKYFVINSOGLA-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430636471 208169408 /nfs/dbraw/zinc/16/94/08/208169408.db2.gz JGNZRFZRUAMROK-DGCLKSJQSA-N 1 3 294.399 -0.463 20 0 CBADHO [NH3+][C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430623812 208169739 /nfs/dbraw/zinc/16/97/39/208169739.db2.gz NFLFKZBCEQMUMM-NSHDSACASA-N 1 3 266.389 -0.238 20 0 CBADHO C[N@@H+]1CC[C@@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430695278 208172157 /nfs/dbraw/zinc/17/21/57/208172157.db2.gz MPAKNIYRVWKMMR-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CC[C@@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430695278 208172162 /nfs/dbraw/zinc/17/21/62/208172162.db2.gz MPAKNIYRVWKMMR-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000430695807 208172210 /nfs/dbraw/zinc/17/22/10/208172210.db2.gz AHFAMLAYAHZUPG-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000430695807 208172214 /nfs/dbraw/zinc/17/22/14/208172214.db2.gz AHFAMLAYAHZUPG-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO CC[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430876926 208187842 /nfs/dbraw/zinc/18/78/42/208187842.db2.gz IACHLJUKXVNHCI-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000430936671 208192376 /nfs/dbraw/zinc/19/23/76/208192376.db2.gz VRNCIUIBKACYPF-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO CC[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000431012543 208198426 /nfs/dbraw/zinc/19/84/26/208198426.db2.gz FYXDIQOJHGQDOH-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH3+])CN1CCN(C)CC1 ZINC000431015150 208199410 /nfs/dbraw/zinc/19/94/10/208199410.db2.gz NIWPSUUBLAJHJG-LBPRGKRZSA-N 1 3 256.394 -0.275 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000431025026 208200327 /nfs/dbraw/zinc/20/03/27/208200327.db2.gz XFHUWNXGDLPPTG-LLVKDONJSA-N 1 3 254.378 -0.380 20 0 CBADHO CCN1CCN(CCNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000434670231 208264058 /nfs/dbraw/zinc/26/40/58/208264058.db2.gz AYJFGOMPUAIJKE-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000434698204 208264448 /nfs/dbraw/zinc/26/44/48/208264448.db2.gz DDFHLMAJRGVRSW-UMNHJUIQSA-N 1 3 270.377 -0.705 20 0 CBADHO C[C@@H]1NCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H]1C ZINC000434711620 208267394 /nfs/dbraw/zinc/26/73/94/208267394.db2.gz QGMMCRWMZHYDFN-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000434711621 208268621 /nfs/dbraw/zinc/26/86/21/208268621.db2.gz QGMMCRWMZHYDFN-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO ZINC000448853461 285243702 /nfs/dbraw/zinc/24/37/02/285243702.db2.gz PJMKQLQPAYESQZ-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO ZINC000448853461 285243703 /nfs/dbraw/zinc/24/37/03/285243703.db2.gz PJMKQLQPAYESQZ-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419985139 285269333 /nfs/dbraw/zinc/26/93/33/285269333.db2.gz WLGMHARYVVYOAJ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)CC[NH2+]C)CC1 ZINC000357237106 285319972 /nfs/dbraw/zinc/31/99/72/285319972.db2.gz FELQGPNIIJVVPV-CYBMUJFWSA-N 1 3 270.421 -0.014 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000575056574 335059965 /nfs/dbraw/zinc/05/99/65/335059965.db2.gz GIOITAWUDYHIOQ-NSHDSACASA-N 1 3 280.328 -0.688 20 0 CBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNC[C@@H]2CCCO2)C1 ZINC000575058745 335060398 /nfs/dbraw/zinc/06/03/98/335060398.db2.gz SFKOBZBLVCKOJR-UTUOFQBUSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNC[C@H]2CCCO2)C1 ZINC000575058744 335060521 /nfs/dbraw/zinc/06/05/21/335060521.db2.gz SFKOBZBLVCKOJR-IJLUTSLNSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CNCCO1 ZINC000333520550 297093450 /nfs/dbraw/zinc/09/34/50/297093450.db2.gz KOZOAHAAGIHZPW-JHJVBQTASA-N 1 3 282.388 -0.147 20 0 CBADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CNCCO1 ZINC000333520550 297093453 /nfs/dbraw/zinc/09/34/53/297093453.db2.gz KOZOAHAAGIHZPW-JHJVBQTASA-N 1 3 282.388 -0.147 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354722130 289369160 /nfs/dbraw/zinc/36/91/60/289369160.db2.gz WTCBQUAZMPTNHY-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO COCCCNC(=O)C1CCN(CCOCC[NH3+])CC1 ZINC000357077902 292355882 /nfs/dbraw/zinc/35/58/82/292355882.db2.gz LGHQFKVNRAYCNF-UHFFFAOYSA-N 1 3 287.404 -0.174 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420027333 286825838 /nfs/dbraw/zinc/82/58/38/286825838.db2.gz KVHCWFZCYJMPLF-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]1CC2(CN1CC(=O)NC(N)=O)CC[NH2+]CC2 ZINC000331632757 287236984 /nfs/dbraw/zinc/23/69/84/287236984.db2.gz MADOBMSSRIMVDC-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000368617140 292558592 /nfs/dbraw/zinc/55/85/92/292558592.db2.gz YLYOFDNVZHXWMF-QJPTWQEYSA-N 1 3 255.362 -0.192 20 0 CBADHO COCCNCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377582299 292558638 /nfs/dbraw/zinc/55/86/38/292558638.db2.gz DEIVDAVYQYCRJV-CYBMUJFWSA-N 1 3 255.362 -0.176 20 0 CBADHO CC[NH+](CC)CCCNC(=O)CN1CCNCC1 ZINC000020521303 171234307 /nfs/dbraw/zinc/23/43/07/171234307.db2.gz YPIFMJMGXJJGQB-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372902879 292563227 /nfs/dbraw/zinc/56/32/27/292563227.db2.gz JFJDXYWHGCJSCU-TYNCELHUSA-N 1 3 299.415 -0.129 20 0 CBADHO CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H](C)[NH3+] ZINC000662750122 413990925 /nfs/dbraw/zinc/99/09/25/413990925.db2.gz PWDAPROYDRSEFF-QPUJVOFHSA-N 1 3 281.360 -0.124 20 0 CBADHO N[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@H]1F ZINC000662749687 413993489 /nfs/dbraw/zinc/99/34/89/413993489.db2.gz NZAYTAYZUNWXFA-GHMZBOCLSA-N 1 3 259.325 -0.347 20 0 CBADHO N[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[C@H]1F ZINC000662748262 413994412 /nfs/dbraw/zinc/99/44/12/413994412.db2.gz NUPLWUXMCUQABG-OPRDCNLKSA-N 1 3 281.335 -0.002 20 0 CBADHO C(CN1CCN(CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000042317857 174683229 /nfs/dbraw/zinc/68/32/29/174683229.db2.gz BSZGLCZCEHFYEW-UHFFFAOYSA-N 1 3 252.406 -0.081 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000092955650 544440870 /nfs/dbraw/zinc/44/08/70/544440870.db2.gz GTEJOTJXJKMDJJ-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO C[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000418769571 287533216 /nfs/dbraw/zinc/53/32/16/287533216.db2.gz PXPYXOHESCUDPK-IJLUTSLNSA-N 1 3 270.377 -0.256 20 0 CBADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000226999797 544492875 /nfs/dbraw/zinc/49/28/75/544492875.db2.gz CJKWUIOLBDGFKV-YNEHKIRRSA-N 1 3 267.373 -0.204 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)CCN1C ZINC000156146496 544471494 /nfs/dbraw/zinc/47/14/94/544471494.db2.gz LOHCEORHQOZSRB-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC1=O ZINC000237162294 544508400 /nfs/dbraw/zinc/50/84/00/544508400.db2.gz HIPOILFMJFCVFN-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000262210381 544518759 /nfs/dbraw/zinc/51/87/59/544518759.db2.gz SYWDEELWKYJZMW-LOWVWBTDSA-N 1 3 284.404 -0.328 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCCC1=O ZINC000103212361 419480491 /nfs/dbraw/zinc/48/04/91/419480491.db2.gz XOYNIZOFPUFGKH-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1cncn1 ZINC000103210781 419480582 /nfs/dbraw/zinc/48/05/82/419480582.db2.gz RPSWUTOIJLENHK-UHFFFAOYSA-N 1 3 282.392 -0.380 20 0 CBADHO C[NH2+]CCC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000043605815 419428497 /nfs/dbraw/zinc/42/84/97/419428497.db2.gz BSWLMZAJLFMTTL-ZDUSSCGKSA-N 1 3 270.421 -0.016 20 0 CBADHO CN(CCN1C(=O)NC(C)(C)C1=O)CCN1CC[NH2+]CC1 ZINC000071150328 419464471 /nfs/dbraw/zinc/46/44/71/419464471.db2.gz CJYCXKLCMTZWHE-UHFFFAOYSA-N 1 3 297.403 -0.846 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCCN(C)C1 ZINC000126232556 419493996 /nfs/dbraw/zinc/49/39/96/419493996.db2.gz ISWKAIUSKPKGGJ-PWSUYJOCSA-N 1 3 270.377 -0.704 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000638088761 419526939 /nfs/dbraw/zinc/52/69/39/419526939.db2.gz JPYHTXWHOWFQIH-RISCZKNCSA-N 1 3 295.387 0.150 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662273286 419568321 /nfs/dbraw/zinc/56/83/21/419568321.db2.gz LCBINJGKOUXFRE-MJBXVCDLSA-N 1 3 269.389 -0.197 20 0 CBADHO C[C@H](O)CN1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261312 419568439 /nfs/dbraw/zinc/56/84/39/419568439.db2.gz HLDWFOACYGJWJI-RDBSUJKOSA-N 1 3 283.416 -0.106 20 0 CBADHO CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256738 419563704 /nfs/dbraw/zinc/56/37/04/419563704.db2.gz YKIMSOXGUQRYRV-NWDGAFQWSA-N 1 3 267.373 -0.035 20 0 CBADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662256738 419563712 /nfs/dbraw/zinc/56/37/12/419563712.db2.gz YKIMSOXGUQRYRV-NWDGAFQWSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)[C@H]1CNCCC1(F)F ZINC000647679527 419632084 /nfs/dbraw/zinc/63/20/84/419632084.db2.gz LISIUQQIXWDCNY-SNVBAGLBSA-N 1 3 276.331 -0.747 20 0 CBADHO C[C@H](O)CN1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C ZINC000662261310 419570308 /nfs/dbraw/zinc/57/03/08/419570308.db2.gz HLDWFOACYGJWJI-IHRRRGAJSA-N 1 3 283.416 -0.106 20 0 CBADHO CC(C)(C)[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236689559 419571833 /nfs/dbraw/zinc/57/18/33/419571833.db2.gz PXQKSXPEUGLICT-LLVKDONJSA-N 1 3 256.394 -0.229 20 0 CBADHO CN(CCN1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277124 419572073 /nfs/dbraw/zinc/57/20/73/419572073.db2.gz OBBBTYSSXIENJI-CYBMUJFWSA-N 1 3 269.389 -0.229 20 0 CBADHO CC[C@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236905077 419572311 /nfs/dbraw/zinc/57/23/11/419572311.db2.gz KUBPXRXSBWEEDC-NEPJUHHUSA-N 1 3 257.378 -0.067 20 0 CBADHO C[NH+](C)C1(CNC(=O)CNC[C@@H]2CCCO2)CCOCC1 ZINC000237080874 419576994 /nfs/dbraw/zinc/57/69/94/419576994.db2.gz ZHZRRQCKEYLPHB-ZDUSSCGKSA-N 1 3 299.415 -0.018 20 0 CBADHO C[NH+](C)C1(CNC(=O)CNC[C@H]2CCCO2)CCOCC1 ZINC000237080901 419578562 /nfs/dbraw/zinc/57/85/62/419578562.db2.gz ZHZRRQCKEYLPHB-CYBMUJFWSA-N 1 3 299.415 -0.018 20 0 CBADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662324680 419582867 /nfs/dbraw/zinc/58/28/67/419582867.db2.gz AMLWSCGPGLDLQY-CHWSQXEVSA-N 1 3 286.395 -0.042 20 0 CBADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000662315653 419586821 /nfs/dbraw/zinc/58/68/21/419586821.db2.gz ROHYTFZNPGOXLJ-RVMXOQNASA-N 1 3 288.413 -0.270 20 0 CBADHO CN(C)CCn1ccc(NC(=O)CCCC[NH3+])n1 ZINC000646428469 419587135 /nfs/dbraw/zinc/58/71/35/419587135.db2.gz VTUBDJUPWFGYKF-UHFFFAOYSA-N 1 3 253.350 0.512 20 0 CBADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662314320 419587320 /nfs/dbraw/zinc/58/73/20/419587320.db2.gz DVPHOPQOMHBKAK-CMPLNLGQSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662314320 419587324 /nfs/dbraw/zinc/58/73/24/419587324.db2.gz DVPHOPQOMHBKAK-CMPLNLGQSA-N 1 3 253.346 -0.295 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CCC[C@H]([NH3+])C2)C1 ZINC000647482259 419591555 /nfs/dbraw/zinc/59/15/55/419591555.db2.gz RFXWWTOYCUAWOB-NEPJUHHUSA-N 1 3 254.378 -0.393 20 0 CBADHO NC1(C(=O)NCCN2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662400328 419596104 /nfs/dbraw/zinc/59/61/04/419596104.db2.gz RWWRMGYYLVIICS-UHFFFAOYSA-N 1 3 266.389 -0.331 20 0 CBADHO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000647517593 419596640 /nfs/dbraw/zinc/59/66/40/419596640.db2.gz ZDDZHXTVRGEKEB-STQMWFEESA-N 1 3 285.388 -0.984 20 0 CBADHO N[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000662414227 419600533 /nfs/dbraw/zinc/60/05/33/419600533.db2.gz WUHXQXVOLFISTL-NSHDSACASA-N 1 3 274.328 -0.333 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542309 419605246 /nfs/dbraw/zinc/60/52/46/419605246.db2.gz OGUBTHNPDAYHLJ-RDBSUJKOSA-N 1 3 280.416 -0.133 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443151 419612179 /nfs/dbraw/zinc/61/21/79/419612179.db2.gz LWPUVFXJPYMWRB-YPMHNXCESA-N 1 3 294.399 -0.144 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000290443151 419612184 /nfs/dbraw/zinc/61/21/84/419612184.db2.gz LWPUVFXJPYMWRB-YPMHNXCESA-N 1 3 294.399 -0.144 20 0 CBADHO COCCN(C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618316 /nfs/dbraw/zinc/61/83/16/419618316.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 1 3 257.378 -0.923 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497455 419621407 /nfs/dbraw/zinc/62/14/07/419621407.db2.gz JNOQLNWOBVLWOE-GXSJLCMTSA-N 1 3 278.360 -0.551 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000647606007 419623136 /nfs/dbraw/zinc/62/31/36/419623136.db2.gz XEPJKSASDUUOIR-AAEUAGOBSA-N 1 3 284.404 -0.456 20 0 CBADHO C[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)CN1 ZINC000662514188 419629276 /nfs/dbraw/zinc/62/92/76/419629276.db2.gz LDKKOUPKBFUWTH-IUCAKERBSA-N 1 3 252.322 -0.941 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NCCCN1CCC(O)CC1 ZINC000662525553 419630163 /nfs/dbraw/zinc/63/01/63/419630163.db2.gz IDDVRQPJNMEGSY-LBPRGKRZSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647818210 419661383 /nfs/dbraw/zinc/66/13/83/419661383.db2.gz CTEBZNCEUVJFDM-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000662640053 419663562 /nfs/dbraw/zinc/66/35/62/419663562.db2.gz LPCZAFWPOFAKNT-OUJBWJOFSA-N 1 3 255.362 -0.003 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOC[C@@H]2CCCO2)C1 ZINC000647828571 419666249 /nfs/dbraw/zinc/66/62/49/419666249.db2.gz MVTHAJUBIFQYBU-KGLIPLIRSA-N 1 3 299.415 -0.031 20 0 CBADHO C[C@@H]1CN(CCN(C)CCN2CC[NH2+]CC2)CCO1 ZINC000647836184 419668723 /nfs/dbraw/zinc/66/87/23/419668723.db2.gz JMTOCHZJQKNXRG-CQSZACIVSA-N 1 3 270.421 -0.456 20 0 CBADHO CC1(C)CNCCN1C(=O)COC1CC[NH2+]CC1 ZINC000647841320 419669409 /nfs/dbraw/zinc/66/94/09/419669409.db2.gz KAYAOVUSRFXKSV-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662662098 419673735 /nfs/dbraw/zinc/67/37/35/419673735.db2.gz ZHTRIPDFOQEYJL-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000647876976 419679912 /nfs/dbraw/zinc/67/99/12/419679912.db2.gz FNRRZJPQSFVYRF-GUBZILKMSA-N 1 3 277.315 -0.194 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000647876977 419680432 /nfs/dbraw/zinc/68/04/32/419680432.db2.gz FNRRZJPQSFVYRF-IVZWLZJFSA-N 1 3 277.315 -0.194 20 0 CBADHO CO[C@@H]1CCN(CCC(=O)N2CCNCC2)[C@H](C[NH3+])C1 ZINC000647907028 419689249 /nfs/dbraw/zinc/68/92/49/419689249.db2.gz ZSEPPLBSIDYLLF-QWHCGFSZSA-N 1 3 284.404 -0.754 20 0 CBADHO [NH3+]CCn1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)nn1 ZINC000662698047 419691478 /nfs/dbraw/zinc/69/14/78/419691478.db2.gz NJOIAZDFFBHYDL-GFCCVEGCSA-N 1 3 292.387 -0.063 20 0 CBADHO CCCN1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662703211 419693003 /nfs/dbraw/zinc/69/30/03/419693003.db2.gz GWIIYLCXHRHSSU-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662713835 419696952 /nfs/dbraw/zinc/69/69/52/419696952.db2.gz ZJPYZFQJOVCEKR-IJLUTSLNSA-N 1 3 255.362 -0.097 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000662719495 419704146 /nfs/dbraw/zinc/70/41/46/419704146.db2.gz DFYIUVHJIPFPES-UPJWGTAASA-N 1 3 267.373 -0.049 20 0 CBADHO C[C@@H](CNC(=O)CC1([NH3+])CC1)CN1CCN(C)CC1 ZINC000662755969 419710538 /nfs/dbraw/zinc/71/05/38/419710538.db2.gz FHNUXYILCGUYMG-LBPRGKRZSA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662566199 419643935 /nfs/dbraw/zinc/64/39/35/419643935.db2.gz TYQHCDROJNZKPX-GUBZILKMSA-N 1 3 281.335 -0.084 20 0 CBADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000404904770 544588705 /nfs/dbraw/zinc/58/87/05/544588705.db2.gz FHTGAPGCFSFNNI-NSHDSACASA-N 1 3 280.376 -0.207 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C[C@H]1COCCN1 ZINC000662632673 419657391 /nfs/dbraw/zinc/65/73/91/419657391.db2.gz SPCUDDMFWNXCJW-ZDUSSCGKSA-N 1 3 286.420 -0.635 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C(N)C(F)(F)F ZINC000662633268 419659578 /nfs/dbraw/zinc/65/95/78/419659578.db2.gz YIRDRRYOEMOEQY-VIFPVBQESA-N 1 3 284.326 -0.124 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)CC1([NH3+])CC1 ZINC000662789913 419727614 /nfs/dbraw/zinc/72/76/14/419727614.db2.gz GWSIIVVITGZODF-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CC1(OCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CNC1 ZINC000648124141 419738613 /nfs/dbraw/zinc/73/86/13/419738613.db2.gz RUSAGDMMXGYBOW-GHMZBOCLSA-N 1 3 253.346 -0.425 20 0 CBADHO C[NH2+]C(C)(C)CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000342437339 419747074 /nfs/dbraw/zinc/74/70/74/419747074.db2.gz BSAFRHFHNBDQKI-UHFFFAOYSA-N 1 3 282.392 0.564 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648136709 419750197 /nfs/dbraw/zinc/75/01/97/419750197.db2.gz FBROBTMPNZFLGG-CKYFFXLPSA-N 1 3 255.362 -0.132 20 0 CBADHO CC1(OCC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CNC1 ZINC000648141390 419752143 /nfs/dbraw/zinc/75/21/43/419752143.db2.gz GRSZKWSBKGVWGD-MNOVXSKESA-N 1 3 253.346 -0.425 20 0 CBADHO NCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859231 419754036 /nfs/dbraw/zinc/75/40/36/419754036.db2.gz LUDVVZVPXFAVSG-CYBMUJFWSA-N 1 3 263.341 -0.172 20 0 CBADHO NCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859231 419754043 /nfs/dbraw/zinc/75/40/43/419754043.db2.gz LUDVVZVPXFAVSG-CYBMUJFWSA-N 1 3 263.341 -0.172 20 0 CBADHO COC1(C(=O)N[C@@H]2CNCCC2(F)F)CC[NH2+]CC1 ZINC000648146871 419754989 /nfs/dbraw/zinc/75/49/89/419754989.db2.gz OHXMDNXDIBGKNO-SECBINFHSA-N 1 3 277.315 -0.132 20 0 CBADHO NC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000648148044 419756524 /nfs/dbraw/zinc/75/65/24/419756524.db2.gz ARIRQCVKWOILJQ-AWEZNQCLSA-N 1 3 289.379 -0.023 20 0 CBADHO CC1(OCC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CNC1 ZINC000648147158 419756716 /nfs/dbraw/zinc/75/67/16/419756716.db2.gz YGJWKJFBONGPGH-OCCSQVGLSA-N 1 3 297.399 -0.280 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876454 419760152 /nfs/dbraw/zinc/76/01/52/419760152.db2.gz WMHYAMSECLTYNW-QDYJBQRPSA-N 1 3 268.361 -0.964 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648153516 419760619 /nfs/dbraw/zinc/76/06/19/419760619.db2.gz XXPHDLQUPSJGHY-WDNDVIMCSA-N 1 3 280.416 -0.452 20 0 CBADHO C[NH+](C)CCOCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000648159717 419761739 /nfs/dbraw/zinc/76/17/39/419761739.db2.gz BGMCIOMZDFPQQB-JTQLQIEISA-N 1 3 279.331 -0.074 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)COC3(C)CNC3)C[C@H]2[NH3+])cn1 ZINC000648180778 419769597 /nfs/dbraw/zinc/76/95/97/419769597.db2.gz OPCCRDATPCAIHQ-NWDGAFQWSA-N 1 3 293.371 -0.948 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000662924951 419777584 /nfs/dbraw/zinc/77/75/84/419777584.db2.gz BUTYNEGRKPJJPA-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662928175 419778757 /nfs/dbraw/zinc/77/87/57/419778757.db2.gz LNVZWEMBTUXXCX-AVERBVTBSA-N 1 3 294.399 -0.511 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000662930874 419781118 /nfs/dbraw/zinc/78/11/18/419781118.db2.gz WYGQRMABAAGYMF-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)[C@@H](N)CC(F)F)n1 ZINC000345819219 419782636 /nfs/dbraw/zinc/78/26/36/419782636.db2.gz SSKRVHDXZMROAI-QMMMGPOBSA-N 1 3 275.303 0.366 20 0 CBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936730 419784199 /nfs/dbraw/zinc/78/41/99/419784199.db2.gz BLRUHLAWUMAZPN-NEPJUHHUSA-N 1 3 298.431 -0.019 20 0 CBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662936733 419784974 /nfs/dbraw/zinc/78/49/74/419784974.db2.gz BLRUHLAWUMAZPN-VXGBXAGGSA-N 1 3 298.431 -0.019 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000662776344 419717373 /nfs/dbraw/zinc/71/73/73/419717373.db2.gz WZVXTMIAHOXTDL-DTWKUNHWSA-N 1 3 252.322 -0.941 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000663010183 419810563 /nfs/dbraw/zinc/81/05/63/419810563.db2.gz IMAVVYVMNXYXPV-RISCZKNCSA-N 1 3 282.388 -0.735 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000663217535 419827987 /nfs/dbraw/zinc/82/79/87/419827987.db2.gz MLGBKFDKLOYBAZ-WDEREUQCSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000649070055 419831274 /nfs/dbraw/zinc/83/12/74/419831274.db2.gz GPUJFHJMYRWWRE-NWDGAFQWSA-N 1 3 282.388 -0.484 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000649070055 419831280 /nfs/dbraw/zinc/83/12/80/419831280.db2.gz GPUJFHJMYRWWRE-NWDGAFQWSA-N 1 3 282.388 -0.484 20 0 CBADHO CCCN1CC[C@H]([NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000663366572 419834402 /nfs/dbraw/zinc/83/44/02/419834402.db2.gz WQBBBRODBZYZSI-LSDHHAIUSA-N 1 3 284.448 -0.331 20 0 CBADHO [NH3+]C[C@@H]1CN(Cc2nc3c(s2)CNCC3)CCO1 ZINC000663492695 419841244 /nfs/dbraw/zinc/84/12/44/419841244.db2.gz BJNYCZYTVAHKPV-SECBINFHSA-N 1 3 268.386 -0.052 20 0 CBADHO [NH3+]C1CCC(OCC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000663492266 419841347 /nfs/dbraw/zinc/84/13/47/419841347.db2.gz QXABPNBPSKSPKC-UHFFFAOYSA-N 1 3 283.372 -0.526 20 0 CBADHO C[NH2+]C[C@H](C)NC1CCN(CCN2CCOCC2)CC1 ZINC000663509448 419842383 /nfs/dbraw/zinc/84/23/83/419842383.db2.gz KTWKMGBSRQDHEM-AWEZNQCLSA-N 1 3 284.448 -0.020 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000662946293 419791208 /nfs/dbraw/zinc/79/12/08/419791208.db2.gz QTFYUNHYHGXTJI-PSASIEDQSA-N 1 3 279.344 -0.355 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000662966088 419794976 /nfs/dbraw/zinc/79/49/76/419794976.db2.gz OVUWIXLCYOYTQW-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963528 419796008 /nfs/dbraw/zinc/79/60/08/419796008.db2.gz UVCBWQPQCOBTQT-MQYJIDSJSA-N 1 3 294.399 -0.511 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)COCC[NH3+])C[C@@H](C)O1 ZINC000649302423 419871549 /nfs/dbraw/zinc/87/15/49/419871549.db2.gz OFZQXCNVLAQPFU-CHWSQXEVSA-N 1 3 287.404 -0.033 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649299007 419871574 /nfs/dbraw/zinc/87/15/74/419871574.db2.gz SDUASJJUSQHDKK-UTUOFQBUSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649318555 419879914 /nfs/dbraw/zinc/87/99/14/419879914.db2.gz VVDTYPJZYHTWPB-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)CCn1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000649312537 419880308 /nfs/dbraw/zinc/88/03/08/419880308.db2.gz XTSDAKCEZZECNX-GDNZZTSVSA-N 1 3 263.345 -0.151 20 0 CBADHO C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000664219554 419889301 /nfs/dbraw/zinc/88/93/01/419889301.db2.gz RPXWAOMUQYKLFE-RNJOBUHISA-N 1 3 284.404 -0.215 20 0 CBADHO C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000664219554 419889306 /nfs/dbraw/zinc/88/93/06/419889306.db2.gz RPXWAOMUQYKLFE-RNJOBUHISA-N 1 3 284.404 -0.215 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649340393 419895211 /nfs/dbraw/zinc/89/52/11/419895211.db2.gz VVTSSADQUCSCDF-UTUOFQBUSA-N 1 3 255.362 -0.179 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000666923992 544650563 /nfs/dbraw/zinc/65/05/63/544650563.db2.gz WJUDCGLLQYRVDM-TZMCWYRMSA-N 1 3 284.404 -0.164 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000666923992 544650564 /nfs/dbraw/zinc/65/05/64/544650564.db2.gz WJUDCGLLQYRVDM-TZMCWYRMSA-N 1 3 284.404 -0.164 20 0 CBADHO Cn1c(CN2CCC3(C2)CC[NH2+]CC3)cc(=O)n(C)c1=O ZINC000358517864 419900428 /nfs/dbraw/zinc/90/04/28/419900428.db2.gz PUKJGLWXZFPENZ-UHFFFAOYSA-N 1 3 292.383 -0.341 20 0 CBADHO CCN1CCN(CCC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358545696 419902521 /nfs/dbraw/zinc/90/25/21/419902521.db2.gz ZPFBGMNFEFXSKD-ZDUSSCGKSA-N 1 3 284.404 -0.800 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357908 419904005 /nfs/dbraw/zinc/90/40/05/419904005.db2.gz XJONCWVXLXESOC-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)CN1CCN(C)CC1 ZINC000649351267 419904380 /nfs/dbraw/zinc/90/43/80/419904380.db2.gz DSZYAFPGRJVQLO-DGAVXFQQSA-N 1 3 280.416 -0.264 20 0 CBADHO [NH3+]CCOCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000649412462 419909884 /nfs/dbraw/zinc/90/98/84/419909884.db2.gz NINSSIGCKURCEL-STQMWFEESA-N 1 3 257.378 -0.507 20 0 CBADHO CC(C)(CO)[NH+]1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000649413569 419909971 /nfs/dbraw/zinc/90/99/71/419909971.db2.gz KHKGAZCNLSBFEQ-UHFFFAOYSA-N 1 3 298.431 -0.803 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668362328 544696334 /nfs/dbraw/zinc/69/63/34/544696334.db2.gz WNWBMVHEBIWCCO-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@]1(C(=O)N2CCOC3(CNC3)C2)CCC[NH2+]1 ZINC000664727634 419913984 /nfs/dbraw/zinc/91/39/84/419913984.db2.gz MUNQNSOIVNVUPI-CYBMUJFWSA-N 1 3 253.346 -0.281 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000358728610 419914263 /nfs/dbraw/zinc/91/42/63/419914263.db2.gz YIQSJFKHGHIETM-MBNYWOFBSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000358728610 419914270 /nfs/dbraw/zinc/91/42/70/419914270.db2.gz YIQSJFKHGHIETM-MBNYWOFBSA-N 1 3 284.404 -0.165 20 0 CBADHO CC1(C)CNCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000669512404 544751473 /nfs/dbraw/zinc/75/14/73/544751473.db2.gz PKEDNVUNKSMUPJ-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)(C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCNCC1 ZINC000669509590 544751778 /nfs/dbraw/zinc/75/17/78/544751778.db2.gz DWYBWVZMOZAGHY-LBPRGKRZSA-N 1 3 268.405 -0.072 20 0 CBADHO C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCC[NH2+]1 ZINC000665294846 419938081 /nfs/dbraw/zinc/93/80/81/419938081.db2.gz XMSPOAAXFZSEDR-WPRPVWTQSA-N 1 3 251.334 -0.129 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294665 419938827 /nfs/dbraw/zinc/93/88/27/419938827.db2.gz TZFMNQPEUCBGBZ-PSASIEDQSA-N 1 3 251.334 -0.272 20 0 CBADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC000652223357 420052240 /nfs/dbraw/zinc/05/22/40/420052240.db2.gz DESYAVZXAXXPDR-GFCCVEGCSA-N 1 3 270.377 -0.336 20 0 CBADHO COCCNCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368711742 420141859 /nfs/dbraw/zinc/14/18/59/420141859.db2.gz HPILTJVOHMLXFR-GFCCVEGCSA-N 1 3 295.387 -0.227 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367407624 420105325 /nfs/dbraw/zinc/10/53/25/420105325.db2.gz IIAZKAHJOJRCJD-CYBMUJFWSA-N 1 3 268.405 -0.167 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](CN)C1 ZINC000653054969 420112162 /nfs/dbraw/zinc/11/21/62/420112162.db2.gz DJIMHQULLKMTSG-QJPTWQEYSA-N 1 3 254.378 -0.395 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112586 420116686 /nfs/dbraw/zinc/11/66/86/420116686.db2.gz CLKDGBLJAFYSMI-MJVIPROJSA-N 1 3 265.357 -0.425 20 0 CBADHO O=C(NCCN1CCCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106628 420116849 /nfs/dbraw/zinc/11/68/49/420116849.db2.gz GEGTVIDYJZQSNP-JSGCOSHPSA-N 1 3 267.373 -0.176 20 0 CBADHO CN(C)CCn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cn1 ZINC000653114606 420118359 /nfs/dbraw/zinc/11/83/59/420118359.db2.gz OHBNIJKUVJNMNP-FZMZJTMJSA-N 1 3 293.371 -0.381 20 0 CBADHO O=C(N1CC[C@H](N2CCCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115161 420119173 /nfs/dbraw/zinc/11/91/73/420119173.db2.gz FQIWMTRVOYXWCI-YDHLFZDLSA-N 1 3 279.384 -0.081 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCN(C2CC2)C1 ZINC000653117415 420119724 /nfs/dbraw/zinc/11/97/24/420119724.db2.gz LFGNDUNMACXJOC-LNSITVRQSA-N 1 3 279.384 -0.083 20 0 CBADHO C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N(C)C1CC1 ZINC000653116706 420120561 /nfs/dbraw/zinc/12/05/61/420120561.db2.gz PLPJSUFOPJTFJB-CMPLNLGQSA-N 1 3 256.394 -0.136 20 0 CBADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN(C)C ZINC000672696841 544858571 /nfs/dbraw/zinc/85/85/71/544858571.db2.gz NTXLEBZCKWHSFN-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)CCN1C(=O)C[C@H](NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000653285115 420137217 /nfs/dbraw/zinc/13/72/17/420137217.db2.gz DFNKTIYDEQQAKA-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN1C(=O)C[C@H](NC[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285115 420137219 /nfs/dbraw/zinc/13/72/19/420137219.db2.gz DFNKTIYDEQQAKA-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CO)N[C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285194 420137951 /nfs/dbraw/zinc/13/79/51/420137951.db2.gz HJWPPGXHZMXHOV-ZJUUUORDSA-N 1 3 257.334 -0.964 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@@H](NC2CCOCC2)C1=O ZINC000653283940 420138636 /nfs/dbraw/zinc/13/86/36/420138636.db2.gz UAPRQBCMIIEQSV-GFCCVEGCSA-N 1 3 283.372 -0.166 20 0 CBADHO C[C@H](C[NH3+])NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000652612027 420071123 /nfs/dbraw/zinc/07/11/23/420071123.db2.gz FJWJCXRDERABLZ-SECBINFHSA-N 1 3 254.338 -0.087 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652695668 420071811 /nfs/dbraw/zinc/07/18/11/420071811.db2.gz YPCWMYOBXCVXON-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652692604 420072547 /nfs/dbraw/zinc/07/25/47/420072547.db2.gz ZCBAWXKJRDYJNQ-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N(C)C ZINC000652734696 420078563 /nfs/dbraw/zinc/07/85/63/420078563.db2.gz TUOPKBSBYNCJIE-AWEZNQCLSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000652733192 420079029 /nfs/dbraw/zinc/07/90/29/420079029.db2.gz AYAYTGNQGZHDFV-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000652733192 420079031 /nfs/dbraw/zinc/07/90/31/420079031.db2.gz AYAYTGNQGZHDFV-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652733257 420080203 /nfs/dbraw/zinc/08/02/03/420080203.db2.gz CGMLZRCDHCPCSJ-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000366451732 420084705 /nfs/dbraw/zinc/08/47/05/420084705.db2.gz QZAKYZZAUGVAFB-MRVPVSSYSA-N 1 3 251.334 -0.217 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654662451 420188396 /nfs/dbraw/zinc/18/83/96/420188396.db2.gz OVPOERDDPUQQGQ-SCRDCRAPSA-N 1 3 284.404 -0.308 20 0 CBADHO CC[C@@H](N)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776475 420204230 /nfs/dbraw/zinc/20/42/30/420204230.db2.gz MPJAQGATCMHSNM-WDEREUQCSA-N 1 3 271.365 -0.373 20 0 CBADHO CC[C@@H](N)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776475 420204234 /nfs/dbraw/zinc/20/42/34/420204234.db2.gz MPJAQGATCMHSNM-WDEREUQCSA-N 1 3 271.365 -0.373 20 0 CBADHO C[C@@H]1C[C@H](C)N(CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397377724 420214488 /nfs/dbraw/zinc/21/44/88/420214488.db2.gz JDBYACBHKJIUNH-KXUCPTDWSA-N 1 3 256.350 -0.123 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000653542039 420150546 /nfs/dbraw/zinc/15/05/46/420150546.db2.gz DKRNQNAYSUFCKG-RRFJBIMHSA-N 1 3 285.432 -0.170 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000653542039 420150552 /nfs/dbraw/zinc/15/05/52/420150552.db2.gz DKRNQNAYSUFCKG-RRFJBIMHSA-N 1 3 285.432 -0.170 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000370021503 420172268 /nfs/dbraw/zinc/17/22/68/420172268.db2.gz QLKDLJYBJBXPRO-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444882 420179356 /nfs/dbraw/zinc/17/93/56/420179356.db2.gz FGPWORXHTAQAJX-FPMFFAJLSA-N 1 3 294.399 -0.317 20 0 CBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654444882 420179359 /nfs/dbraw/zinc/17/93/59/420179359.db2.gz FGPWORXHTAQAJX-FPMFFAJLSA-N 1 3 294.399 -0.317 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000655295251 420238893 /nfs/dbraw/zinc/23/88/93/420238893.db2.gz DIUBDANHAJHVNY-UONOGXRCSA-N 1 3 281.400 -0.004 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000418948749 420243225 /nfs/dbraw/zinc/24/32/25/420243225.db2.gz QQOOMSKRIPYTJY-GHMZBOCLSA-N 1 3 272.393 -0.314 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCN ZINC000418931081 420243762 /nfs/dbraw/zinc/24/37/62/420243762.db2.gz GPLLTMDNEITUQZ-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419582136 420245111 /nfs/dbraw/zinc/24/51/11/420245111.db2.gz JEFWNJCXPONDRB-GRYCIOLGSA-N 1 3 296.415 -0.029 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419767575 420245713 /nfs/dbraw/zinc/24/57/13/420245713.db2.gz BZYSZWYNWQHDAK-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419701226 420246341 /nfs/dbraw/zinc/24/63/41/420246341.db2.gz YVTOBNHJDAMOBI-LLVKDONJSA-N 1 3 296.415 -0.027 20 0 CBADHO NC[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C(F)(F)F ZINC000655514843 420261831 /nfs/dbraw/zinc/26/18/31/420261831.db2.gz DMNCXBPNNQGQAL-ZKWXMUAHSA-N 1 3 251.252 -0.008 20 0 CBADHO NC[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655514868 420262336 /nfs/dbraw/zinc/26/23/36/420262336.db2.gz FMIJKMNCFWNUQV-SFYZADRCSA-N 1 3 296.293 -0.750 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)C[C@@H]2CNCCO2)n1 ZINC000430871736 420273106 /nfs/dbraw/zinc/27/31/06/420273106.db2.gz FJONUFOULKVVES-LLVKDONJSA-N 1 3 281.360 -0.238 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655923686 420279215 /nfs/dbraw/zinc/27/92/15/420279215.db2.gz BICUMWUJFJFQIH-APPZFPTMSA-N 1 3 284.282 -0.758 20 0 CBADHO Cn1cnnc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000655931602 420280636 /nfs/dbraw/zinc/28/06/36/420280636.db2.gz LYBROVIGNKRRIK-UHFFFAOYSA-N 1 3 264.377 -0.063 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963618 420282438 /nfs/dbraw/zinc/28/24/38/420282438.db2.gz KBXJSCZEYMPARK-GRYCIOLGSA-N 1 3 268.361 -0.801 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000655970781 420284744 /nfs/dbraw/zinc/28/47/44/420284744.db2.gz LUOWHYOAFUDKBE-TXEJJXNPSA-N 1 3 282.388 -0.290 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000655969179 420284949 /nfs/dbraw/zinc/28/49/49/420284949.db2.gz GENWWWFDLJBFQA-GRYCIOLGSA-N 1 3 270.377 -0.386 20 0 CBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655968910 420285209 /nfs/dbraw/zinc/28/52/09/420285209.db2.gz AWRCOBSCEDGSDN-MROQNXINSA-N 1 3 282.388 -0.426 20 0 CBADHO C[C@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000655967024 420285343 /nfs/dbraw/zinc/28/53/43/420285343.db2.gz KRMQVCHBISJGBI-QNWHQSFQSA-N 1 3 282.388 -0.413 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H]1CNCCO1)C2=O ZINC000656611520 420318620 /nfs/dbraw/zinc/31/86/20/420318620.db2.gz KHIXRLJPIVZXCW-MJVIPROJSA-N 1 3 296.371 -0.586 20 0 CBADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC3CC[NH2+]CC3)C[C@H]21 ZINC000656792522 420322258 /nfs/dbraw/zinc/32/22/58/420322258.db2.gz RVXZSFLHTPWTQP-XQQFMLRXSA-N 1 3 288.413 -0.270 20 0 CBADHO COCCNCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000516768332 420363541 /nfs/dbraw/zinc/36/35/41/420363541.db2.gz FILBBPFUEUYWQC-NSHDSACASA-N 1 3 255.362 -0.272 20 0 CBADHO C[C@@H](Cn1cncn1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873048 420363739 /nfs/dbraw/zinc/36/37/39/420363739.db2.gz QXLANAYGROFRPD-STQMWFEESA-N 1 3 294.403 -0.156 20 0 CBADHO C[C@@H](Cn1cncn1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873048 420363741 /nfs/dbraw/zinc/36/37/41/420363741.db2.gz QXLANAYGROFRPD-STQMWFEESA-N 1 3 294.403 -0.156 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656023182 420293772 /nfs/dbraw/zinc/29/37/72/420293772.db2.gz XPQLARDNMVUCMF-WOPDTQHZSA-N 1 3 282.388 -0.417 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000656042029 420294815 /nfs/dbraw/zinc/29/48/15/420294815.db2.gz UHJDUMSPGAIGSO-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)Nc1ccn(CCN(C)C)n1 ZINC000447436608 420295536 /nfs/dbraw/zinc/29/55/36/420295536.db2.gz ALZWCQICEQMPJV-JTQLQIEISA-N 1 3 269.349 -0.253 20 0 CBADHO CC(C)N(C)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517247082 420373901 /nfs/dbraw/zinc/37/39/01/420373901.db2.gz GIGIPLJXGOBKOA-WDEREUQCSA-N 1 3 268.361 -0.903 20 0 CBADHO CN(C[C@@H]1CCCN(C(=O)CN)C1)C1CC([NH3+])C1 ZINC000517236073 420374810 /nfs/dbraw/zinc/37/48/10/420374810.db2.gz JBLZOXJNCBGJKG-UNXYVOJBSA-N 1 3 254.378 -0.395 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517338034 420374824 /nfs/dbraw/zinc/37/48/24/420374824.db2.gz BEYFXGUMXGYHNI-BNOWGMLFSA-N 1 3 295.431 -0.328 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000658529626 420381335 /nfs/dbraw/zinc/38/13/35/420381335.db2.gz DMFDBFZFNPOOSK-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)N(C)C ZINC000519765051 420388228 /nfs/dbraw/zinc/38/82/28/420388228.db2.gz DCRLKWXKAHPJBG-JSGCOSHPSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](NC[C@H]2CCCCO2)C1=O ZINC000516935306 420367532 /nfs/dbraw/zinc/36/75/32/420367532.db2.gz SCMFGFWYJNOXSZ-NEPJUHHUSA-N 1 3 283.372 -0.166 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677868606 544988004 /nfs/dbraw/zinc/98/80/04/544988004.db2.gz JDGFAUPQIFTGJC-OLZOCXBDSA-N 1 3 266.389 -0.413 20 0 CBADHO CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677868606 544988007 /nfs/dbraw/zinc/98/80/07/544988007.db2.gz JDGFAUPQIFTGJC-OLZOCXBDSA-N 1 3 266.389 -0.413 20 0 CBADHO O=C(C[C@@H]1CSCCN1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000548017410 420420671 /nfs/dbraw/zinc/42/06/71/420420671.db2.gz AMKFPEMKGDWMSH-GHMZBOCLSA-N 1 3 295.412 0.451 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357587 420414033 /nfs/dbraw/zinc/41/40/33/420414033.db2.gz KIADLZAMMSYDMC-NSHDSACASA-N 1 3 272.393 -0.680 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659567904 420435159 /nfs/dbraw/zinc/43/51/59/420435159.db2.gz GUFDGSSMRSPWOG-KBPBESRZSA-N 1 3 295.431 -0.230 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCCN(CCCO)C1 ZINC000659613917 420437060 /nfs/dbraw/zinc/43/70/60/420437060.db2.gz OEEXBBBJHQBDJS-JVWICGRDSA-N 1 3 296.415 -0.116 20 0 CBADHO CCCN1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659608455 420437074 /nfs/dbraw/zinc/43/70/74/420437074.db2.gz DDKPIUVIICQNFF-RYUDHWBXSA-N 1 3 270.377 -0.160 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659518227 420427198 /nfs/dbraw/zinc/42/71/98/420427198.db2.gz WWDLOQZVSCGXPC-GFCCVEGCSA-N 1 3 299.419 -0.600 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659528195 420428525 /nfs/dbraw/zinc/42/85/25/420428525.db2.gz BDYPHUAIRNYWJY-LLVKDONJSA-N 1 3 287.408 -0.615 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659527091 420429026 /nfs/dbraw/zinc/42/90/26/420429026.db2.gz HYFUBEFCOXZOFN-NXEZZACHSA-N 1 3 262.329 -0.697 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000659537966 420431247 /nfs/dbraw/zinc/43/12/47/420431247.db2.gz MYVKVUTYBFEQGQ-RKDXNWHRSA-N 1 3 294.359 -0.290 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417851652 287631743 /nfs/dbraw/zinc/63/17/43/287631743.db2.gz NIHITJACCBVEHJ-MCIONIFRSA-N 1 3 280.416 -0.119 20 0 CBADHO N[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[C@H]1F ZINC000659550680 420432289 /nfs/dbraw/zinc/43/22/89/420432289.db2.gz TVPRCXUKJDNPNE-GMTAPVOTSA-N 1 3 274.340 -0.554 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CCN([C@H]2CCOC2)CC1 ZINC000659549898 420432613 /nfs/dbraw/zinc/43/26/13/420432613.db2.gz UKUUFNMUFPKCLW-IGQOVBAYSA-N 1 3 294.399 -0.243 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659549903 420432636 /nfs/dbraw/zinc/43/26/36/420432636.db2.gz UKUUFNMUFPKCLW-MQYQWHSLSA-N 1 3 294.399 -0.243 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000659552932 420432975 /nfs/dbraw/zinc/43/29/75/420432975.db2.gz GWEUOEOVIFGOPE-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000659552932 420432977 /nfs/dbraw/zinc/43/29/77/420432977.db2.gz GWEUOEOVIFGOPE-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO CN1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000680833513 545041181 /nfs/dbraw/zinc/04/11/81/545041181.db2.gz ZMTHAZRLPVZEIB-AAEUAGOBSA-N 1 3 270.377 -0.554 20 0 CBADHO CN1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000680833513 545041182 /nfs/dbraw/zinc/04/11/82/545041182.db2.gz ZMTHAZRLPVZEIB-AAEUAGOBSA-N 1 3 270.377 -0.554 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000659753653 420468449 /nfs/dbraw/zinc/46/84/49/420468449.db2.gz QZWVHYBDHVLOSO-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000659754319 420468516 /nfs/dbraw/zinc/46/85/16/420468516.db2.gz DUYKXEORLKTDNG-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000659752818 420468614 /nfs/dbraw/zinc/46/86/14/420468614.db2.gz NWEHQXSFGKNQQP-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437853 /nfs/dbraw/zinc/43/78/53/420437853.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 1 3 283.420 -0.245 20 0 CBADHO CN1CCC(O)(CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616338 420438562 /nfs/dbraw/zinc/43/85/62/420438562.db2.gz GCLGEOOPFOLYCV-UHFFFAOYSA-N 1 3 282.388 -0.506 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659620929 420439248 /nfs/dbraw/zinc/43/92/48/420439248.db2.gz SRNXEDUAHNKICQ-SNVBAGLBSA-N 1 3 296.375 -0.187 20 0 CBADHO CN(C)CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000682361431 545055774 /nfs/dbraw/zinc/05/57/74/545055774.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CN(C)CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000682361431 545055776 /nfs/dbraw/zinc/05/57/76/545055776.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CN(C)CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000682361431 545055777 /nfs/dbraw/zinc/05/57/77/545055777.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CN(C)CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000682361431 545055779 /nfs/dbraw/zinc/05/57/79/545055779.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CC(C)NCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000565248820 420441652 /nfs/dbraw/zinc/44/16/52/420441652.db2.gz DXLKPRBZNXBEPA-UHFFFAOYSA-N 1 3 253.350 0.381 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000659642074 420443272 /nfs/dbraw/zinc/44/32/72/420443272.db2.gz JCANQHDGGBWKRW-VXGBXAGGSA-N 1 3 272.393 -0.260 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000659641847 420443673 /nfs/dbraw/zinc/44/36/73/420443673.db2.gz ISGLXTULKMZKAT-VXGBXAGGSA-N 1 3 272.393 -0.260 20 0 CBADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000566286189 420444563 /nfs/dbraw/zinc/44/45/63/420444563.db2.gz HSQMRDLZMMBOJF-WDEREUQCSA-N 1 3 281.360 -0.240 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659677642 420448060 /nfs/dbraw/zinc/44/80/60/420448060.db2.gz GLSJREAZQJUQAP-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000659677529 420448091 /nfs/dbraw/zinc/44/80/91/420448091.db2.gz DMLJJLTZWBRJII-HBNTYKKESA-N 1 3 270.377 -0.691 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000659694937 420450528 /nfs/dbraw/zinc/45/05/28/420450528.db2.gz TWEWOBLPYWGKFX-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000659699523 420452119 /nfs/dbraw/zinc/45/21/19/420452119.db2.gz WIXCFAMYRQQDGV-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659703298 420452660 /nfs/dbraw/zinc/45/26/60/420452660.db2.gz YEAMTFHOYXOERZ-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000659709886 420453870 /nfs/dbraw/zinc/45/38/70/420453870.db2.gz JSNYCECDROQUON-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709384 420453912 /nfs/dbraw/zinc/45/39/12/420453912.db2.gz IBNURPJTIHMWEP-LBPRGKRZSA-N 1 3 296.415 -0.156 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659712003 420454764 /nfs/dbraw/zinc/45/47/64/420454764.db2.gz FRRRNTULMXKSAE-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659713180 420456028 /nfs/dbraw/zinc/45/60/28/420456028.db2.gz FBFYQHREDOBGPU-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000659715464 420456828 /nfs/dbraw/zinc/45/68/28/420456828.db2.gz PFQCAWYSQVBCPG-ZJUUUORDSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659715527 420457350 /nfs/dbraw/zinc/45/73/50/420457350.db2.gz PTMXBUJDMUQOJJ-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659716261 420458165 /nfs/dbraw/zinc/45/81/65/420458165.db2.gz VVHACMRSBFGWAL-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659717112 420458439 /nfs/dbraw/zinc/45/84/39/420458439.db2.gz ZWRYHMQDVDTYCL-AVGNSLFASA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659717111 420458562 /nfs/dbraw/zinc/45/85/62/420458562.db2.gz ZWRYHMQDVDTYCL-AGIUHOORSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659720271 420458660 /nfs/dbraw/zinc/45/86/60/420458660.db2.gz RXRZQZUPIIPKMH-RYUDHWBXSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000659720870 420458737 /nfs/dbraw/zinc/45/87/37/420458737.db2.gz FXPGMIXGGGQZCY-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000659722135 420458910 /nfs/dbraw/zinc/45/89/10/420458910.db2.gz MQSKRJJUHFAKIM-XQQFMLRXSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659719614 420459459 /nfs/dbraw/zinc/45/94/59/420459459.db2.gz IOBXNDFTBOKGQO-JTQLQIEISA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731446 420460845 /nfs/dbraw/zinc/46/08/45/420460845.db2.gz FYGOPRUOYFEYIN-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659738869 420463162 /nfs/dbraw/zinc/46/31/62/420463162.db2.gz JKAJTEPEGWLAKB-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659738180 420463786 /nfs/dbraw/zinc/46/37/86/420463786.db2.gz BEEVMHMUEKHYQL-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741253 420464118 /nfs/dbraw/zinc/46/41/18/420464118.db2.gz SOHCWRUAPKGTLV-MQYJIDSJSA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659741946 420464891 /nfs/dbraw/zinc/46/48/91/420464891.db2.gz RIUFWWRQNKQYSZ-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000659739486 420464986 /nfs/dbraw/zinc/46/49/86/420464986.db2.gz VRLBTVPICYSMCI-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC000584541626 420476213 /nfs/dbraw/zinc/47/62/13/420476213.db2.gz QWZSNUCQFDJRCU-JTQLQIEISA-N 1 3 266.349 -0.072 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434811 420490655 /nfs/dbraw/zinc/49/06/55/420490655.db2.gz IPUMQEYTKDSNCY-OCCSQVGLSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000660434811 420490656 /nfs/dbraw/zinc/49/06/56/420490656.db2.gz IPUMQEYTKDSNCY-OCCSQVGLSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434806 420490676 /nfs/dbraw/zinc/49/06/76/420490676.db2.gz IPUMQEYTKDSNCY-GXTWGEPZSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434806 420490678 /nfs/dbraw/zinc/49/06/78/420490678.db2.gz IPUMQEYTKDSNCY-GXTWGEPZSA-N 1 3 269.389 -0.101 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000517938223 260322306 /nfs/dbraw/zinc/32/23/06/260322306.db2.gz BMSFDHCRJCHSKW-WDEREUQCSA-N 1 3 269.345 -0.380 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000517938221 260322319 /nfs/dbraw/zinc/32/23/19/260322319.db2.gz BMSFDHCRJCHSKW-MNOVXSKESA-N 1 3 269.345 -0.380 20 0 CBADHO COCCN(C)C[C@H](O)C[NH2+]C(C)(C)CN(C)C ZINC000308637225 260393242 /nfs/dbraw/zinc/39/32/42/260393242.db2.gz PPVQEPAGZMRWCK-GFCCVEGCSA-N 1 3 261.410 -0.145 20 0 CBADHO [NH3+]CC1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CCCC1 ZINC000520227662 265694248 /nfs/dbraw/zinc/69/42/48/265694248.db2.gz XBQSVXZBBZZKCH-UHFFFAOYSA-N 1 3 293.375 -0.328 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430784630 276071990 /nfs/dbraw/zinc/07/19/90/276071990.db2.gz QZUGIMYPQRZULN-NSHDSACASA-N 1 3 255.362 -0.225 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430784630 276071991 /nfs/dbraw/zinc/07/19/91/276071991.db2.gz QZUGIMYPQRZULN-NSHDSACASA-N 1 3 255.362 -0.225 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)COC1CNC1 ZINC000430723694 276106625 /nfs/dbraw/zinc/10/66/25/276106625.db2.gz SVZDGIFOZIABBB-LLVKDONJSA-N 1 3 255.362 -0.131 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262566803 276364145 /nfs/dbraw/zinc/36/41/45/276364145.db2.gz YCGVRGSVGDZQPQ-GRYCIOLGSA-N 1 3 255.362 -0.300 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420040491 276378402 /nfs/dbraw/zinc/37/84/02/276378402.db2.gz OXQSWGLBEXBZFI-RYUDHWBXSA-N 1 3 282.388 -0.560 20 0 CBADHO CN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000237201094 276863168 /nfs/dbraw/zinc/86/31/68/276863168.db2.gz XVNSRKWZIMMUCS-RRFJBIMHSA-N 1 3 291.395 -0.002 20 0 CBADHO CC(C)(C(N)=O)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262225734 277126116 /nfs/dbraw/zinc/12/61/16/277126116.db2.gz NEAYRRRQWQJSHO-UHFFFAOYSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698143 277269208 /nfs/dbraw/zinc/26/92/08/277269208.db2.gz SBSODBUPJPYDRC-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000351996819 277481301 /nfs/dbraw/zinc/48/13/01/277481301.db2.gz VRDMTKQJBPDWNT-PWSUYJOCSA-N 1 3 272.393 -0.425 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C1CC1 ZINC000419591452 278268807 /nfs/dbraw/zinc/26/88/07/278268807.db2.gz RCXHDZXANKAGIQ-WOPDTQHZSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420074960 278627647 /nfs/dbraw/zinc/62/76/47/278627647.db2.gz ITYRMMSKXVUXSH-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000487168353 288096881 /nfs/dbraw/zinc/09/68/81/288096881.db2.gz ZWBMIZHGCQGYDR-NQBHXWOUSA-N 1 3 255.362 -0.633 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000487168353 288096882 /nfs/dbraw/zinc/09/68/82/288096882.db2.gz ZWBMIZHGCQGYDR-NQBHXWOUSA-N 1 3 255.362 -0.633 20 0 CBADHO CCN(CCNC(=O)C(=O)N(C)CCC[NH2+]C)C1CC1 ZINC000419528911 279189498 /nfs/dbraw/zinc/18/94/98/279189498.db2.gz WYRANWSNHPVMBU-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000351993836 279235604 /nfs/dbraw/zinc/23/56/04/279235604.db2.gz LANMXYCUWRVEIC-GXTWGEPZSA-N 1 3 286.420 -0.034 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430222 288116361 /nfs/dbraw/zinc/11/63/61/288116361.db2.gz UKYMFWUVUNNATP-IXOXFDKPSA-N 1 3 282.388 -0.557 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419595434 279268615 /nfs/dbraw/zinc/26/86/15/279268615.db2.gz WUIVINNZZOENTC-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419985131 279323975 /nfs/dbraw/zinc/32/39/75/279323975.db2.gz WLGMHARYVVYOAJ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262075541 279351505 /nfs/dbraw/zinc/35/15/05/279351505.db2.gz PUSNVNIOZVZZNK-CYBMUJFWSA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419333992 288126144 /nfs/dbraw/zinc/12/61/44/288126144.db2.gz MWLNWFQDTVTLSQ-OASPWFOLSA-N 1 3 294.399 -0.561 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]CCN1C)N(C)C ZINC000449695609 279790447 /nfs/dbraw/zinc/79/04/47/279790447.db2.gz IVKURAKWQIJRFM-NEPJUHHUSA-N 1 3 256.394 -0.408 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000251929869 288304295 /nfs/dbraw/zinc/30/42/95/288304295.db2.gz YQOCELAMSDVQCB-DDHJBXDOSA-N 1 3 253.346 -0.596 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[NH3+])CC1 ZINC000418315901 281822550 /nfs/dbraw/zinc/82/25/50/281822550.db2.gz WBIUXXOJNYKZQQ-GFCCVEGCSA-N 1 3 272.393 -0.273 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)COC2CNC2)C[C@H]1C[NH3+] ZINC000424051310 288657237 /nfs/dbraw/zinc/65/72/37/288657237.db2.gz IZYBUFSOXLHLRG-OUAUKWLOSA-N 1 3 255.362 -0.193 20 0 CBADHO C[NH+](C)C/C=C/C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000493320921 289038168 /nfs/dbraw/zinc/03/81/68/289038168.db2.gz MWWPFVOVKJTREB-RDFMZFSFSA-N 1 3 267.373 -0.323 20 0 CBADHO CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354791300 289043194 /nfs/dbraw/zinc/04/31/94/289043194.db2.gz NAPNUHZQHBXYDY-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)C1(CNC(=O)C[C@H]2CNCCO2)CCOCC1 ZINC000430705603 289045383 /nfs/dbraw/zinc/04/53/83/289045383.db2.gz LJRHXVBAWAVPKX-LBPRGKRZSA-N 1 3 285.388 -0.408 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423747119 289191132 /nfs/dbraw/zinc/19/11/32/289191132.db2.gz RUPOEPNWJCIRLF-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419895604 289290668 /nfs/dbraw/zinc/29/06/68/289290668.db2.gz MPHBQKXFKPPXJH-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419860521 289368560 /nfs/dbraw/zinc/36/85/60/289368560.db2.gz KYQBWJYUVMUBPY-NWDGAFQWSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCNC2=O)CC1 ZINC000178199323 290085070 /nfs/dbraw/zinc/08/50/70/290085070.db2.gz KZRSLRSXDMKSQD-WCQYABFASA-N 1 3 269.389 -0.101 20 0 CBADHO COC[C@]1(CNC(=O)C(C)S(C)(=O)=O)CCC[NH2+]1 ZINC000261592102 293291494 /nfs/dbraw/zinc/29/14/94/293291494.db2.gz YFFVJJGPPQWPLM-MWLCHTKSSA-N 1 3 278.374 -0.696 20 0 CBADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332203245 295251954 /nfs/dbraw/zinc/25/19/54/295251954.db2.gz DKRBLBJGSWTNBR-RYUDHWBXSA-N 1 3 280.372 -0.757 20 0 CBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000424195404 295324590 /nfs/dbraw/zinc/32/45/90/295324590.db2.gz STNDMDDSQIKKNP-QCNOEVLYSA-N 1 3 253.346 -0.312 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423151631 295339339 /nfs/dbraw/zinc/33/93/39/295339339.db2.gz KHHJQDCYHWDBRH-QWHCGFSZSA-N 1 3 294.399 -0.367 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332196346 295339456 /nfs/dbraw/zinc/33/94/56/295339456.db2.gz QNMGWJLAUOPVJH-QWHCGFSZSA-N 1 3 294.399 -0.367 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419700616 295339773 /nfs/dbraw/zinc/33/97/73/295339773.db2.gz XUDSSVAZZRNEHG-RYUDHWBXSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420030998 298536898 /nfs/dbraw/zinc/53/68/98/298536898.db2.gz RBFBVJFEBBGWIM-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419134652 298538239 /nfs/dbraw/zinc/53/82/39/298538239.db2.gz KMTCXBSKCIEIGJ-GHMZBOCLSA-N 1 3 286.420 -0.068 20 0 CBADHO NC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCC1 ZINC000375952558 303354498 /nfs/dbraw/zinc/35/44/98/303354498.db2.gz DIOSJKHQYVIVJX-LBPRGKRZSA-N 1 3 266.389 -0.236 20 0 CBADHO NC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)Cc2ccccc2C1 ZINC000368646601 303356377 /nfs/dbraw/zinc/35/63/77/303356377.db2.gz JLTWLHYYTMNINK-ITGUQSILSA-N 1 3 257.337 -0.183 20 0 CBADHO C[NH2+]C[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000570716403 327613900 /nfs/dbraw/zinc/61/39/00/327613900.db2.gz JJZTWLLDYVJFEJ-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CCN2C1=O ZINC000580214136 327735805 /nfs/dbraw/zinc/73/58/05/327735805.db2.gz LIIPCVHFLXKQMK-RTWAVKEYSA-N 1 3 292.383 -0.854 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000563092840 327922276 /nfs/dbraw/zinc/92/22/76/327922276.db2.gz NNKNANDLSKYJEN-QWHCGFSZSA-N 1 3 284.404 -0.883 20 0 CBADHO CN(CC1CCN(C)CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563207200 327964481 /nfs/dbraw/zinc/96/44/81/327964481.db2.gz NWVRSYPODAECFM-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH2+]C1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000570964173 327965780 /nfs/dbraw/zinc/96/57/80/327965780.db2.gz GDTUQZVYZHZSGV-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO CCCN(C)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563442407 328066726 /nfs/dbraw/zinc/06/67/26/328066726.db2.gz QNMBHITYIDUJTI-WDEREUQCSA-N 1 3 268.361 -0.901 20 0 CBADHO CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000563599316 328076322 /nfs/dbraw/zinc/07/63/22/328076322.db2.gz VGHWGZTYAKLIJO-OLZOCXBDSA-N 1 3 283.420 -0.340 20 0 CBADHO CCN(CC[NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CC1 ZINC000563617196 328077024 /nfs/dbraw/zinc/07/70/24/328077024.db2.gz DGFPJRKSXPDWGI-OAHLLOKOSA-N 1 3 284.448 -0.331 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000563659718 328082351 /nfs/dbraw/zinc/08/23/51/328082351.db2.gz DNGOSLIRILYYRQ-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)COC2CNC2)CC1 ZINC000571164675 328089888 /nfs/dbraw/zinc/08/98/88/328089888.db2.gz VDJQRNYSRZRGHN-UKRRQHHQSA-N 1 3 297.399 -0.280 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572839613 328100997 /nfs/dbraw/zinc/10/09/97/328100997.db2.gz WEOLVRKPJHNKRI-FRRDWIJNSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000571305435 328101166 /nfs/dbraw/zinc/10/11/66/328101166.db2.gz JALAYAHSEDNTEY-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000571325276 328105901 /nfs/dbraw/zinc/10/59/01/328105901.db2.gz PCRCDFVKUKXRDV-ZIAGYGMSSA-N 1 3 299.415 -0.116 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000571396133 328118552 /nfs/dbraw/zinc/11/85/52/328118552.db2.gz GLOYMDPYBSDLRU-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000571562344 328134124 /nfs/dbraw/zinc/13/41/24/328134124.db2.gz FUCJMFIEHSWLKH-PWSUYJOCSA-N 1 3 270.377 -0.704 20 0 CBADHO Cc1noc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000571635976 328151295 /nfs/dbraw/zinc/15/12/95/328151295.db2.gz JVMOKIKTKSGDTL-UHFFFAOYSA-N 1 3 284.364 -0.243 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)COC1CC[NH2+]CC1 ZINC000583497824 328584697 /nfs/dbraw/zinc/58/46/97/328584697.db2.gz JVBBVFDYBOENQS-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000557279072 327000422 /nfs/dbraw/zinc/00/04/22/327000422.db2.gz JUHRKSVGIYYWJA-SNVBAGLBSA-N 1 3 280.372 -0.793 20 0 CBADHO C[C@H]1NCCN(C(=O)c2cn(CCC[NH3+])nn2)[C@H]1C ZINC000569224958 327054013 /nfs/dbraw/zinc/05/40/13/327054013.db2.gz JCQPHWCYSJMSNV-ZJUUUORDSA-N 1 3 266.349 -0.551 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)CCN1C ZINC000558207329 327078486 /nfs/dbraw/zinc/07/84/86/327078486.db2.gz BIUCICWZPKVIHH-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000564450280 327098158 /nfs/dbraw/zinc/09/81/58/327098158.db2.gz HCMNKUSUZYQDEG-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](COCCOC)C1 ZINC000573126262 327100852 /nfs/dbraw/zinc/10/08/52/327100852.db2.gz MOMTZZWQKLPUKI-STQMWFEESA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](COCCOC)C1 ZINC000573126262 327100853 /nfs/dbraw/zinc/10/08/53/327100853.db2.gz MOMTZZWQKLPUKI-STQMWFEESA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](COCCOC)C1 ZINC000573126262 327100855 /nfs/dbraw/zinc/10/08/55/327100855.db2.gz MOMTZZWQKLPUKI-STQMWFEESA-N 1 3 260.378 -0.058 20 0 CBADHO CC(C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)S(C)(=O)=O ZINC000299919291 327145567 /nfs/dbraw/zinc/14/55/67/327145567.db2.gz LPVWZQREAZFFDE-KXUCPTDWSA-N 1 3 260.359 -0.370 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCCC1 ZINC000559344322 327162609 /nfs/dbraw/zinc/16/26/09/327162609.db2.gz IUDJQCNDKDGLEY-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](O)CNC)CC1 ZINC000569456487 327179835 /nfs/dbraw/zinc/17/98/35/327179835.db2.gz IQEICHKUHADIOR-LXVYMNJGSA-N 1 3 288.388 -0.359 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000569592465 327202135 /nfs/dbraw/zinc/20/21/35/327202135.db2.gz YGPRONNNMUZCEW-AGIUHOORSA-N 1 3 294.399 -0.641 20 0 CBADHO C[C@@H]1NCCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@H]1C ZINC000569606198 327209782 /nfs/dbraw/zinc/20/97/82/327209782.db2.gz AMHLXGBODLIFPT-QWRGUYRKSA-N 1 3 280.376 -0.161 20 0 CBADHO NC(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000584290645 327222622 /nfs/dbraw/zinc/22/26/22/327222622.db2.gz VAEAWJKLSHDICG-YUMQZZPRSA-N 1 3 296.293 -0.811 20 0 CBADHO C[C@@H]1NCCN(C(=O)COC2CC[NH2+]CC2)[C@H]1C ZINC000584293025 327224027 /nfs/dbraw/zinc/22/40/27/327224027.db2.gz SZLPDMDGDGPPSK-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000566236535 327253910 /nfs/dbraw/zinc/25/39/10/327253910.db2.gz FQMOCRNOJHFAIQ-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CNC3)C[C@H]21 ZINC000564950495 327256272 /nfs/dbraw/zinc/25/62/72/327256272.db2.gz FIEQQWAVOFIRPB-YUSALJHKSA-N 1 3 253.346 -0.439 20 0 CBADHO CNS(=O)(=O)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000564976021 327303048 /nfs/dbraw/zinc/30/30/48/327303048.db2.gz PDFUOIWWQMJIMN-NSHDSACASA-N 1 3 261.391 -0.391 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000564991410 327343237 /nfs/dbraw/zinc/34/32/37/327343237.db2.gz TYAKHIBADQISDY-LOWVWBTDSA-N 1 3 284.404 -0.328 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000578988909 327354143 /nfs/dbraw/zinc/35/41/43/327354143.db2.gz REWDJEXUWMNMFG-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(C)CC1 ZINC000579370332 327364487 /nfs/dbraw/zinc/36/44/87/327364487.db2.gz FSQNLESYHYTTOD-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574771938 327377429 /nfs/dbraw/zinc/37/74/29/327377429.db2.gz YRXNSVBUDDZWTM-GRYCIOLGSA-N 1 3 297.403 -0.720 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000574860745 327387888 /nfs/dbraw/zinc/38/78/88/327387888.db2.gz AAFXDRCDURVJGJ-RYUDHWBXSA-N 1 3 270.377 -0.160 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[NH2+]C1 ZINC000566496748 327400143 /nfs/dbraw/zinc/40/01/43/327400143.db2.gz TXJNDUNVXVJGHZ-SUNKGSAMSA-N 1 3 280.372 -0.854 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000562689875 327504896 /nfs/dbraw/zinc/50/48/96/327504896.db2.gz QNWHPQDUKHOJJJ-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000570395289 327587562 /nfs/dbraw/zinc/58/75/62/327587562.db2.gz JAQXIWGNTNWYFQ-QWHCGFSZSA-N 1 3 263.341 -0.167 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C12CCCN1CCC2 ZINC000570443619 327591242 /nfs/dbraw/zinc/59/12/42/327591242.db2.gz IDSJQORVAVNPDO-GFCCVEGCSA-N 1 3 266.389 -0.365 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000583565606 328616228 /nfs/dbraw/zinc/61/62/28/328616228.db2.gz FYPOHXNHDNPECH-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@H]1CNCCO1 ZINC000583024202 329299229 /nfs/dbraw/zinc/29/92/29/329299229.db2.gz NJJOAESWZZKZSF-UEGILFFDSA-N 1 3 267.373 -0.003 20 0 CBADHO C[NH2+]CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000583142038 329321296 /nfs/dbraw/zinc/32/12/96/329321296.db2.gz YQCFFUKTZXPJPG-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000571917869 329931146 /nfs/dbraw/zinc/93/11/46/329931146.db2.gz LBGJJFUGWDSSFD-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572361960 330002455 /nfs/dbraw/zinc/00/24/55/330002455.db2.gz LKVSGCQYHYPHQD-BDAKNGLRSA-N 1 3 282.310 -0.324 20 0 CBADHO CC(C)[NH2+]CCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580450697 330138045 /nfs/dbraw/zinc/13/80/45/330138045.db2.gz OJNPWANTPRDSNX-WDEREUQCSA-N 1 3 268.361 -0.855 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000576043152 335144854 /nfs/dbraw/zinc/14/48/54/335144854.db2.gz DNLJJQBAPRCJFG-RWMBFGLXSA-N 1 3 268.405 -0.277 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000564334189 334128817 /nfs/dbraw/zinc/12/88/17/334128817.db2.gz CVHUVENFZBXONW-SRVKXCTJSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N(C)C1CC1 ZINC000553370512 334381112 /nfs/dbraw/zinc/38/11/12/334381112.db2.gz YLZAISYYLMBHQD-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCCNc1cc[nH+]cc1 ZINC000564914509 334528002 /nfs/dbraw/zinc/52/80/02/334528002.db2.gz ILCHAVFOSNZELP-CYBMUJFWSA-N 1 3 278.356 -0.200 20 0 CBADHO C[C@H](C[NH3+])NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000564950354 334530126 /nfs/dbraw/zinc/53/01/26/334530126.db2.gz SMZZHJRFDQLRGC-KEPMVKOISA-N 1 3 255.362 -0.018 20 0 CBADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565372385 334557542 /nfs/dbraw/zinc/55/75/42/334557542.db2.gz NYRUFJSQIDBOBQ-OPRDCNLKSA-N 1 3 268.361 -0.870 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565845426 334602652 /nfs/dbraw/zinc/60/26/52/334602652.db2.gz YXPTXKAWTQUPBL-QWRGUYRKSA-N 1 3 297.403 -0.543 20 0 CBADHO CN(C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CC[NH2+]C1 ZINC000566796832 334664513 /nfs/dbraw/zinc/66/45/13/334664513.db2.gz OFXAYTQIUADPKP-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368007 334709299 /nfs/dbraw/zinc/70/92/99/334709299.db2.gz JGUWDOWHJSWXMG-FRRDWIJNSA-N 1 3 294.399 -0.463 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N(C)CCC[NH+](C)C)CCC1 ZINC000567941795 334777668 /nfs/dbraw/zinc/77/76/68/334777668.db2.gz VBCZQEZUJVXZKV-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO COC[C@@]1(CNC(=O)C[C@H]2CSCCN2)CCC[NH2+]1 ZINC000568381336 334821178 /nfs/dbraw/zinc/82/11/78/334821178.db2.gz HNAFQRLNVFUECJ-AAEUAGOBSA-N 1 3 287.429 -0.034 20 0 CBADHO O=C(COC1CNC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568390415 334822183 /nfs/dbraw/zinc/82/21/83/334822183.db2.gz MGEWYGMNXVTOIC-RYUDHWBXSA-N 1 3 267.373 -0.177 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000572740823 334875255 /nfs/dbraw/zinc/87/52/55/334875255.db2.gz JHVYUHBBRRCMHR-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000576463544 335206868 /nfs/dbraw/zinc/20/68/68/335206868.db2.gz OSSMPHUHONFYST-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO COCCNCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576465536 335207196 /nfs/dbraw/zinc/20/71/96/335207196.db2.gz FZOLFKQDHOJKGO-MRVPVSSYSA-N 1 3 251.277 -0.664 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1N(C)C ZINC000576744118 335242132 /nfs/dbraw/zinc/24/21/32/335242132.db2.gz XTSQKKIOBZUUII-NDBYEHHHSA-N 1 3 294.399 -0.785 20 0 CBADHO [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3CCCC[C@@H]3O)CCN2C1=O ZINC000576837236 335254571 /nfs/dbraw/zinc/25/45/71/335254571.db2.gz GJDBXUMZQZFLDQ-LOWDOPEQSA-N 1 3 267.373 -0.219 20 0 CBADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577530751 335365800 /nfs/dbraw/zinc/36/58/00/335365800.db2.gz NVBZGQYHTLILFR-QJPTWQEYSA-N 1 3 296.415 -0.219 20 0 CBADHO CN1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](CN)C1 ZINC000577726522 335392897 /nfs/dbraw/zinc/39/28/97/335392897.db2.gz NTYLCHALMVNEOJ-SNVBAGLBSA-N 1 3 255.366 -0.848 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)C[C@H]1CNCCO1)C(F)(F)F ZINC000577728719 335393260 /nfs/dbraw/zinc/39/32/60/335393260.db2.gz PHZCCZZPKYGTOU-JGVFFNPUSA-N 1 3 269.267 -0.239 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000578509210 335642800 /nfs/dbraw/zinc/64/28/00/335642800.db2.gz WIBKVVLGTYEGCG-VXGBXAGGSA-N 1 3 277.324 -0.170 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000578509026 335642931 /nfs/dbraw/zinc/64/29/31/335642931.db2.gz OQJCLVCRANGJHO-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C(CNC1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578766218 335672564 /nfs/dbraw/zinc/67/25/64/335672564.db2.gz HAOHECVUMVYVRB-GFCCVEGCSA-N 1 3 252.362 -0.756 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCCC[NH2+]3)CCN2C1=O ZINC000578767409 335672617 /nfs/dbraw/zinc/67/26/17/335672617.db2.gz UILONALXMVBSMM-TUAOUCFPSA-N 1 3 280.372 -0.711 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578889585 335686291 /nfs/dbraw/zinc/68/62/91/335686291.db2.gz RJONXGDTZNGZJA-BDAKNGLRSA-N 1 3 279.348 -0.849 20 0 CBADHO O=C(CCOC1C[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000579005401 335698438 /nfs/dbraw/zinc/69/84/38/335698438.db2.gz ITNHMFLGVRHXIL-VIFPVBQESA-N 1 3 263.288 -0.522 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000579110580 335710368 /nfs/dbraw/zinc/71/03/68/335710368.db2.gz BWGIBUDCWONTGS-DJLDLDEBSA-N 1 3 263.288 -0.523 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000581072536 336004440 /nfs/dbraw/zinc/00/44/40/336004440.db2.gz UDYHHXROFUAJMS-KBPBESRZSA-N 1 3 268.357 -0.266 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](CN)C1 ZINC000581241206 336029475 /nfs/dbraw/zinc/02/94/75/336029475.db2.gz NZNDKLWZFBQDKN-JHJVBQTASA-N 1 3 283.420 -0.212 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC[NH2+]1 ZINC000581381125 336065766 /nfs/dbraw/zinc/06/57/66/336065766.db2.gz RAPVUFLIKLNUQC-UHIISALHSA-N 1 3 280.372 -0.711 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000581538694 336097096 /nfs/dbraw/zinc/09/70/96/336097096.db2.gz ONGABHACFMFRNJ-RAIGVLPGSA-N 1 3 294.399 -0.465 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1CN ZINC000581716183 336136125 /nfs/dbraw/zinc/13/61/25/336136125.db2.gz QLPIIHATHHECPK-RYUDHWBXSA-N 1 3 271.409 -0.212 20 0 CBADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)NC2CNC2)([NH+](C)C)C1 ZINC000581874598 336156490 /nfs/dbraw/zinc/15/64/90/336156490.db2.gz TYDVZTAPFXVEBB-XHDPSFHLSA-N 1 3 296.415 -0.299 20 0 CBADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)NC(N)=O)C1 ZINC000581879291 336157469 /nfs/dbraw/zinc/15/74/69/336157469.db2.gz BKFPQGRJSARJLV-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)NC(N)=O)C1 ZINC000581879291 336157470 /nfs/dbraw/zinc/15/74/70/336157470.db2.gz BKFPQGRJSARJLV-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000581879291 336157471 /nfs/dbraw/zinc/15/74/71/336157471.db2.gz BKFPQGRJSARJLV-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581933456 336172028 /nfs/dbraw/zinc/17/20/28/336172028.db2.gz YPAMYEGXVAFVKK-UPJWGTAASA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CN1CCOCC1 ZINC000049557258 524162442 /nfs/dbraw/zinc/16/24/42/524162442.db2.gz UFADBTMQKHIKOR-CHWSQXEVSA-N 1 3 259.394 -0.391 20 0 CBADHO C[C@H](CC[NH+](C)C)NS(=O)(=O)[C@H]1CCCNC1 ZINC000049646520 524166003 /nfs/dbraw/zinc/16/60/03/524166003.db2.gz IBIUUVCZSMNWFN-MNOVXSKESA-N 1 3 263.407 -0.002 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCCCN1CCN(C)CC1 ZINC000040808781 529037663 /nfs/dbraw/zinc/03/76/63/529037663.db2.gz YPGLBAFWWFMESU-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc[n+]1[O-] ZINC000103212748 582112788 /nfs/dbraw/zinc/11/27/88/582112788.db2.gz MYNNCJRHAXPVPR-UHFFFAOYSA-N 1 3 280.372 -0.115 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132908157 582124235 /nfs/dbraw/zinc/12/42/35/582124235.db2.gz VBKNHXZWDMCLJG-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132908157 582124236 /nfs/dbraw/zinc/12/42/36/582124236.db2.gz VBKNHXZWDMCLJG-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000729529202 582146781 /nfs/dbraw/zinc/14/67/81/582146781.db2.gz NELNDSSBZZSGNL-AVGNSLFASA-N 1 3 267.373 -0.083 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000729529202 582146782 /nfs/dbraw/zinc/14/67/82/582146782.db2.gz NELNDSSBZZSGNL-AVGNSLFASA-N 1 3 267.373 -0.083 20 0 CBADHO O[C@@H](CN1CCN([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871541 582161160 /nfs/dbraw/zinc/16/11/60/582161160.db2.gz JZITVLMVJBDFBB-OAGGEKHMSA-N 1 3 297.443 -0.026 20 0 CBADHO CN(CCN(C)[C@@H]1CCC(=O)NC1=O)C1CC[NH+](C)CC1 ZINC000799147478 582418734 /nfs/dbraw/zinc/41/87/34/582418734.db2.gz MOJOBJHALMLQTA-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CCNCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000818594359 582512327 /nfs/dbraw/zinc/51/23/27/582512327.db2.gz MISCJIKYPCPEIH-VIFPVBQESA-N 1 3 282.310 -0.452 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)C2CC2)C1 ZINC000819004021 582524781 /nfs/dbraw/zinc/52/47/81/582524781.db2.gz JOLWILOZCLXSOD-QWHCGFSZSA-N 1 3 269.389 -0.066 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)C2CC2)C1 ZINC000819004021 582524782 /nfs/dbraw/zinc/52/47/82/582524782.db2.gz JOLWILOZCLXSOD-QWHCGFSZSA-N 1 3 269.389 -0.066 20 0 CBADHO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]1(F)CCNC1 ZINC000831644205 582991996 /nfs/dbraw/zinc/99/19/96/582991996.db2.gz QQOUOPNQUYWFGJ-YPMHNXCESA-N 1 3 270.352 -0.806 20 0 CBADHO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@]1(F)CCNC1 ZINC000831683656 582993758 /nfs/dbraw/zinc/99/37/58/582993758.db2.gz XUBQQBRMAVYYPQ-DGCLKSJQSA-N 1 3 270.352 -0.806 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841790196 583174130 /nfs/dbraw/zinc/17/41/30/583174130.db2.gz AJDYWQUGAHQDSK-QWHCGFSZSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790762 583174518 /nfs/dbraw/zinc/17/45/18/583174518.db2.gz JDIBMNFFJJBZMD-YNEHKIRRSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790761 583174524 /nfs/dbraw/zinc/17/45/24/583174524.db2.gz JDIBMNFFJJBZMD-XQQFMLRXSA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000841849252 583174847 /nfs/dbraw/zinc/17/48/47/583174847.db2.gz FHPYYBBJFNOJRZ-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(C)CNCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841849061 583174952 /nfs/dbraw/zinc/17/49/52/583174952.db2.gz ONTCRUVLEFEUDQ-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000841852270 583175179 /nfs/dbraw/zinc/17/51/79/583175179.db2.gz ISOJHXGVASZJFG-VXNVDRBHSA-N 1 3 251.252 -0.199 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)N(CC[NH3+])CCO ZINC000841857379 583175334 /nfs/dbraw/zinc/17/53/34/583175334.db2.gz XHLNKVDJEYQABW-GFCCVEGCSA-N 1 3 272.393 -0.177 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842014586 583177805 /nfs/dbraw/zinc/17/78/05/583177805.db2.gz CSYCAIRVVOGHFE-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCCCC1 ZINC000842014237 583177856 /nfs/dbraw/zinc/17/78/56/583177856.db2.gz ATQAXNBRRXCODT-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC[NH3+])N1CCCCC1 ZINC000842014633 583177884 /nfs/dbraw/zinc/17/78/84/583177884.db2.gz DGSHANHSPPTYIR-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015837 583177962 /nfs/dbraw/zinc/17/79/62/583177962.db2.gz ONBSZXGPHHFXFX-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015504 583178025 /nfs/dbraw/zinc/17/80/25/583178025.db2.gz LYZRUVYYQJQWQS-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCCCC1 ZINC000842015248 583178162 /nfs/dbraw/zinc/17/81/62/583178162.db2.gz JFVMYUZPNLQUPS-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016904 583178168 /nfs/dbraw/zinc/17/81/68/583178168.db2.gz ZBDUIUAVNKYOPZ-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCCCC1 ZINC000842015246 583178176 /nfs/dbraw/zinc/17/81/76/583178176.db2.gz JFVMYUZPNLQUPS-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCCCC1 ZINC000842016198 583178204 /nfs/dbraw/zinc/17/82/04/583178204.db2.gz RWDRVORWWIFUSX-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015835 583178221 /nfs/dbraw/zinc/17/82/21/583178221.db2.gz ONBSZXGPHHFXFX-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CON(C)C(=O)CCNCCC[NH+]1CCC(O)CC1 ZINC000843061720 583199065 /nfs/dbraw/zinc/19/90/65/583199065.db2.gz HOUPFMFBZCECHO-UHFFFAOYSA-N 1 3 273.377 -0.167 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843263161 583205511 /nfs/dbraw/zinc/20/55/11/583205511.db2.gz UINMUAHOHAWZSP-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO CCNCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843453380 583221056 /nfs/dbraw/zinc/22/10/56/583221056.db2.gz NPQGIHAHHQMUBB-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000843482286 583226817 /nfs/dbraw/zinc/22/68/17/583226817.db2.gz PMPRICGOWRZKON-GARJFASQSA-N 1 3 259.325 -0.429 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCCCC[NH3+] ZINC000843513008 583232449 /nfs/dbraw/zinc/23/24/49/583232449.db2.gz WQVDQBRSZSZWHR-LBPRGKRZSA-N 1 3 272.393 -0.279 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NCCCN1CCC(O)CC1 ZINC000844172817 583256826 /nfs/dbraw/zinc/25/68/26/583256826.db2.gz ZYQFGVFFZLBZEY-CQSZACIVSA-N 1 3 299.415 -0.282 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000844179003 583257966 /nfs/dbraw/zinc/25/79/66/583257966.db2.gz CLHONJJPYASAEF-MCIONIFRSA-N 1 3 297.399 -0.266 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181274 583258389 /nfs/dbraw/zinc/25/83/89/583258389.db2.gz WYNYVKGFQBZHGF-JZRPKSSGSA-N 1 3 265.357 -0.569 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000846687476 583383430 /nfs/dbraw/zinc/38/34/30/583383430.db2.gz PDIXRVCRMBKKQW-ZDUSSCGKSA-N 1 3 273.352 -0.085 20 0 CBADHO [NH3+]C[C@H](NC(=O)c1[nH]nc2c1CNCC2)C(F)(F)F ZINC000848436984 583446851 /nfs/dbraw/zinc/44/68/51/583446851.db2.gz CFLGXUYEUQDHSZ-ZETCQYMHSA-N 1 3 277.250 -0.325 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOCCO ZINC000849016497 583468263 /nfs/dbraw/zinc/46/82/63/583468263.db2.gz KPMOGNPKEKSUQE-GFCCVEGCSA-N 1 3 272.393 -0.016 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CNC(=O)C1 ZINC000849041472 583471415 /nfs/dbraw/zinc/47/14/15/583471415.db2.gz GMXSGOBONMJEEO-GHMZBOCLSA-N 1 3 267.377 -0.279 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CNC(=O)C1 ZINC000849041474 583471485 /nfs/dbraw/zinc/47/14/85/583471485.db2.gz GMXSGOBONMJEEO-QWRGUYRKSA-N 1 3 267.377 -0.279 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048493 583472056 /nfs/dbraw/zinc/47/20/56/583472056.db2.gz IBLPEEWBORERPV-WCQYABFASA-N 1 3 272.393 -0.018 20 0 CBADHO CN(C)CCNC(=S)NCCN(C)CCC[NH+](C)C ZINC000849280008 583476146 /nfs/dbraw/zinc/47/61/46/583476146.db2.gz NWYKNKPBNMYLML-UHFFFAOYSA-N 1 3 289.493 -0.104 20 0 CBADHO CN(CCC[NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851657289 583518366 /nfs/dbraw/zinc/51/83/66/583518366.db2.gz WOQGUCJMNWNSRM-NEPJUHHUSA-N 1 3 270.377 -0.160 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000851687289 583521638 /nfs/dbraw/zinc/52/16/38/583521638.db2.gz PTIDIDRLQZYHTM-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000851689369 583521985 /nfs/dbraw/zinc/52/19/85/583521985.db2.gz NTJRVMNONSAZDV-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851692216 583522471 /nfs/dbraw/zinc/52/24/71/583522471.db2.gz XWCNTEHIOCGBBF-AGIUHOORSA-N 1 3 294.399 -0.593 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852791749 583552719 /nfs/dbraw/zinc/55/27/19/583552719.db2.gz LQJLIELXIDEJLQ-ONGXEEELSA-N 1 3 292.339 -0.085 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852798308 583553334 /nfs/dbraw/zinc/55/33/34/583553334.db2.gz JCXKIAOLUAVAML-LLVKDONJSA-N 1 3 268.361 -0.062 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)=NO1 ZINC000852859323 583562194 /nfs/dbraw/zinc/56/21/94/583562194.db2.gz RMCQVMPKXMNIKC-VWYCJHECSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)=NO1 ZINC000852859323 583562195 /nfs/dbraw/zinc/56/21/95/583562195.db2.gz RMCQVMPKXMNIKC-VWYCJHECSA-N 1 3 266.345 -0.167 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852861762 583562813 /nfs/dbraw/zinc/56/28/13/583562813.db2.gz IYKFCZBIFRGXJK-GHMZBOCLSA-N 1 3 268.361 -0.064 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852861762 583562814 /nfs/dbraw/zinc/56/28/14/583562814.db2.gz IYKFCZBIFRGXJK-GHMZBOCLSA-N 1 3 268.361 -0.064 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852861782 583562937 /nfs/dbraw/zinc/56/29/37/583562937.db2.gz JPDWONYSXHDOIV-UWVGGRQHSA-N 1 3 256.350 -0.064 20 0 CBADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852864139 583563560 /nfs/dbraw/zinc/56/35/60/583563560.db2.gz XHBQVCFUPJGIET-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO C[N@H+]1CCC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852864139 583563561 /nfs/dbraw/zinc/56/35/61/583563561.db2.gz XHBQVCFUPJGIET-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865150 583564022 /nfs/dbraw/zinc/56/40/22/583564022.db2.gz SLMFQYRLPVWQME-WDEREUQCSA-N 1 3 284.360 -0.683 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865147 583564125 /nfs/dbraw/zinc/56/41/25/583564125.db2.gz SLMFQYRLPVWQME-GHMZBOCLSA-N 1 3 284.360 -0.683 20 0 CBADHO C[NH+](C)C1(CNC(=O)C2=NO[C@H](CN)C2)CCOCC1 ZINC000852867741 583564905 /nfs/dbraw/zinc/56/49/05/583564905.db2.gz AVDNUSFVDVFIMT-JTQLQIEISA-N 1 3 284.360 -0.683 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870795 583565070 /nfs/dbraw/zinc/56/50/70/583565070.db2.gz YEIWPSDZRNOVNG-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852870795 583565072 /nfs/dbraw/zinc/56/50/72/583565072.db2.gz YEIWPSDZRNOVNG-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870793 583565148 /nfs/dbraw/zinc/56/51/48/583565148.db2.gz YEIWPSDZRNOVNG-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870793 583565150 /nfs/dbraw/zinc/56/51/50/583565150.db2.gz YEIWPSDZRNOVNG-UWVGGRQHSA-N 1 3 254.334 -0.452 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852872240 583565237 /nfs/dbraw/zinc/56/52/37/583565237.db2.gz JPNHLMQVCPYKNE-QWRGUYRKSA-N 1 3 286.376 -0.437 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872395 583565484 /nfs/dbraw/zinc/56/54/84/583565484.db2.gz FVBWRNMLGXEZJL-RYUDHWBXSA-N 1 3 297.403 -0.768 20 0 CBADHO C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC000852873120 583565655 /nfs/dbraw/zinc/56/56/55/583565655.db2.gz PNFNGXIJWBWYBA-NEPJUHHUSA-N 1 3 297.403 -0.910 20 0 CBADHO CC1(CNC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]CC1 ZINC000852875953 583566111 /nfs/dbraw/zinc/56/61/11/583566111.db2.gz UKIONPBYIWQVNA-SECBINFHSA-N 1 3 254.334 -0.404 20 0 CBADHO NC[C@H]1CC(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875935 583566241 /nfs/dbraw/zinc/56/62/41/583566241.db2.gz UCLAXHLHXXJKFK-BXKDBHETSA-N 1 3 252.318 -0.698 20 0 CBADHO COCC1(CNC(=O)C2=NO[C@H](CN)C2)CC[NH2+]CC1 ZINC000852879328 583566437 /nfs/dbraw/zinc/56/64/37/583566437.db2.gz VAVAKSOHHSBBAC-JTQLQIEISA-N 1 3 284.360 -0.778 20 0 CBADHO NC[C@@H]1CC(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)=NO1 ZINC000852881172 583566792 /nfs/dbraw/zinc/56/67/92/583566792.db2.gz RWSVYMXWQZUQOI-DCAQKATOSA-N 1 3 268.361 -0.029 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852881230 583566876 /nfs/dbraw/zinc/56/68/76/583566876.db2.gz SZWCXSIZIJMRMY-SDNRWEOFSA-N 1 3 254.334 -0.407 20 0 CBADHO CN(C)CCOCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852885860 583568762 /nfs/dbraw/zinc/56/87/62/583568762.db2.gz DDVIJIKZQCMFMH-UHFFFAOYSA-N 1 3 255.362 -0.009 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893777 583570748 /nfs/dbraw/zinc/57/07/48/583570748.db2.gz JUTSAHIHACYSEF-MWLCHTKSSA-N 1 3 266.345 -0.119 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1C=O ZINC000855345439 583636395 /nfs/dbraw/zinc/63/63/95/583636395.db2.gz AJOWSSLDWVODES-UONOGXRCSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1C=O ZINC000855345439 583636397 /nfs/dbraw/zinc/63/63/97/583636397.db2.gz AJOWSSLDWVODES-UONOGXRCSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000857102652 583664419 /nfs/dbraw/zinc/66/44/19/583664419.db2.gz ITNAMNFNJNQMGO-TUAOUCFPSA-N 1 3 270.377 -0.114 20 0 CBADHO CN(CCCNCc1cnn(C)n1)CC[NH+](C)C ZINC000857783823 583683831 /nfs/dbraw/zinc/68/38/31/583683831.db2.gz DALYTMLPCYOQGQ-UHFFFAOYSA-N 1 3 254.382 -0.212 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573248 583771268 /nfs/dbraw/zinc/77/12/68/583771268.db2.gz CRAMTENYEWFRCZ-UTUOFQBUSA-N 1 3 268.361 -0.489 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000861644893 583774919 /nfs/dbraw/zinc/77/49/19/583774919.db2.gz BCNJDSOEZRGAKC-HTQZYQBOSA-N 1 3 250.293 -0.028 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CCCCC1 ZINC000861729628 583781671 /nfs/dbraw/zinc/78/16/71/583781671.db2.gz XDAACCHFZZNPPX-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000861740784 583782654 /nfs/dbraw/zinc/78/26/54/583782654.db2.gz VNISEAGIIXBYPZ-SECBINFHSA-N 1 3 256.350 -0.998 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861753492 583784218 /nfs/dbraw/zinc/78/42/18/583784218.db2.gz XWXYTENSNPYRDC-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861763206 583785160 /nfs/dbraw/zinc/78/51/60/583785160.db2.gz LXLDNYQPSCWSSZ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861763204 583785172 /nfs/dbraw/zinc/78/51/72/583785172.db2.gz LXLDNYQPSCWSSZ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861769736 583785381 /nfs/dbraw/zinc/78/53/81/583785381.db2.gz BVRLLABPLMNFCV-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO C[NH+](C)CCNC(=S)NCCN1CC[C@H](O)C1 ZINC000863253348 583835906 /nfs/dbraw/zinc/83/59/06/583835906.db2.gz NYCBHMVQXHNEOF-JTQLQIEISA-N 1 3 260.407 -0.921 20 0 CBADHO CCN1CCC(NC(=O)CN(C)C[C@H](C)[NH3+])CC1 ZINC000863568336 583847203 /nfs/dbraw/zinc/84/72/03/583847203.db2.gz KAWVGLTXPOOWND-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000863754977 583852970 /nfs/dbraw/zinc/85/29/70/583852970.db2.gz XVUFAROMYXHDPD-VXGBXAGGSA-N 1 3 282.388 -0.511 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863754356 583853023 /nfs/dbraw/zinc/85/30/23/583853023.db2.gz QRFCWMZQRMTMKB-GFCCVEGCSA-N 1 3 284.404 -0.265 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769082 583855536 /nfs/dbraw/zinc/85/55/36/583855536.db2.gz JBVMOYFVDVWIQH-VXGBXAGGSA-N 1 3 284.404 -0.267 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000863769564 583855734 /nfs/dbraw/zinc/85/57/34/583855734.db2.gz LFZYVCFOQDYKGD-WDEREUQCSA-N 1 3 270.377 -0.655 20 0 CBADHO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)C1CNC1 ZINC000864094551 583873831 /nfs/dbraw/zinc/87/38/31/583873831.db2.gz XOJKUEVUQWDMHN-UHFFFAOYSA-N 1 3 269.370 -0.251 20 0 CBADHO C[C@@H]1C[C@H](NC[C@@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554167 583924129 /nfs/dbraw/zinc/92/41/29/583924129.db2.gz GAZPJVIPFBMPAU-NFAWXSAZSA-N 1 3 297.399 -0.314 20 0 CBADHO C[C@@H]1C[C@H](NC[C@@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554167 583924131 /nfs/dbraw/zinc/92/41/31/583924131.db2.gz GAZPJVIPFBMPAU-NFAWXSAZSA-N 1 3 297.399 -0.314 20 0 CBADHO CNC(=O)NC[C@@H]1CCCCN1CCOCC[NH3+] ZINC000866685172 583926983 /nfs/dbraw/zinc/92/69/83/583926983.db2.gz CPPQMKZKSREFFB-NSHDSACASA-N 1 3 258.366 -0.255 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867323966 583948282 /nfs/dbraw/zinc/94/82/82/583948282.db2.gz OGDNFVNUUVCVSI-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867323966 583948283 /nfs/dbraw/zinc/94/82/83/583948283.db2.gz OGDNFVNUUVCVSI-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCC1(C)C ZINC000868404787 583977745 /nfs/dbraw/zinc/97/77/45/583977745.db2.gz GHVXKDPEXALZQC-NSHDSACASA-N 1 3 282.388 -0.511 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868407678 583978219 /nfs/dbraw/zinc/97/82/19/583978219.db2.gz ZYWKHQIPORQNHY-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999807 584024731 /nfs/dbraw/zinc/02/47/31/584024731.db2.gz PXFTUSPCAYTMNP-USZNOCQGSA-N 1 3 296.371 -0.637 20 0 CBADHO O=C1CC2(CCC2)N(CCN2CC[NH2+]CC2)CCN1 ZINC000872157893 584048464 /nfs/dbraw/zinc/04/84/64/584048464.db2.gz UCNYVAWWNMFLMF-UHFFFAOYSA-N 1 3 266.389 -0.364 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872263570 584052605 /nfs/dbraw/zinc/05/26/05/584052605.db2.gz HMUWMZCDRYVBGW-WCFLWFBJSA-N 1 3 254.378 -0.667 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC[C@]12COC(=O)N1CCOC2 ZINC000873248365 584069224 /nfs/dbraw/zinc/06/92/24/584069224.db2.gz DPRTVZJAOHXFBX-NHCYSSNCSA-N 1 3 257.334 -0.077 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]12COC(=O)N1CCOC2 ZINC000873248364 584069253 /nfs/dbraw/zinc/06/92/53/584069253.db2.gz DPRTVZJAOHXFBX-JBLDHEPKSA-N 1 3 257.334 -0.077 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000873266325 584069580 /nfs/dbraw/zinc/06/95/80/584069580.db2.gz MOPMHXURJONETF-DYEKYZERSA-N 1 3 283.372 -0.526 20 0 CBADHO [NH3+]CCc1ccc(CNC(=O)CN2CCNCC2)cc1 ZINC000876518600 584130897 /nfs/dbraw/zinc/13/08/97/584130897.db2.gz VVPBBKVTVREHQX-UHFFFAOYSA-N 1 3 276.384 -0.291 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)c1c(CN)cnn1C ZINC000876728505 584141355 /nfs/dbraw/zinc/14/13/55/584141355.db2.gz OIRQDIGZMYOUMW-UHFFFAOYSA-N 1 3 283.376 -0.423 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)c1c(CN)cnn1C ZINC000876728505 584141357 /nfs/dbraw/zinc/14/13/57/584141357.db2.gz OIRQDIGZMYOUMW-UHFFFAOYSA-N 1 3 283.376 -0.423 20 0 CBADHO COCCN(C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876744940 584142048 /nfs/dbraw/zinc/14/20/48/584142048.db2.gz HTTKOUSIDYXMKW-WDEREUQCSA-N 1 3 261.341 -0.372 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876771152 584143644 /nfs/dbraw/zinc/14/36/44/584143644.db2.gz NNZHDNPYKWODED-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876782649 584144230 /nfs/dbraw/zinc/14/42/30/584144230.db2.gz YBDHTMOIIYIZIK-OLZOCXBDSA-N 1 3 285.436 -0.983 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CNCCC2(F)F)C1(F)F ZINC000876865665 584151070 /nfs/dbraw/zinc/15/10/70/584151070.db2.gz FBDFPURAJHZVFQ-DSYKOEDSSA-N 1 3 269.242 -0.060 20 0 CBADHO [NH3+]C[C@]1(C(=O)N[C@@H]2CNCCC2(F)F)CCCOC1 ZINC000876866343 584151125 /nfs/dbraw/zinc/15/11/25/584151125.db2.gz RSXTWMDKYYVDAU-MWLCHTKSSA-N 1 3 277.315 -0.145 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876878544 584152423 /nfs/dbraw/zinc/15/24/23/584152423.db2.gz GDTUZLIEFQPTPQ-NEPJUHHUSA-N 1 3 275.368 -0.029 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000876925562 584156240 /nfs/dbraw/zinc/15/62/40/584156240.db2.gz LHUQYICFNCOYST-RYUDHWBXSA-N 1 3 262.357 -0.208 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000876937592 584156793 /nfs/dbraw/zinc/15/67/93/584156793.db2.gz ZDWSVFUFTKALGK-UONOGXRCSA-N 1 3 276.384 -0.040 20 0 CBADHO C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1CC[NH3+] ZINC000876949007 584157598 /nfs/dbraw/zinc/15/75/98/584157598.db2.gz NQHJUEMLSZIYGO-SDDRHHMPSA-N 1 3 256.394 -0.149 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000876950652 584157833 /nfs/dbraw/zinc/15/78/33/584157833.db2.gz RMFFTUNKTLXZPX-IGQOVBAYSA-N 1 3 298.431 -0.237 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877016683 584161757 /nfs/dbraw/zinc/16/17/57/584161757.db2.gz BSPZSSNNXYZNQQ-AEJSXWLSSA-N 1 3 296.337 -0.139 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000877102759 584166110 /nfs/dbraw/zinc/16/61/10/584166110.db2.gz DBQZZBCVRVLNPY-QWRGUYRKSA-N 1 3 270.377 -0.798 20 0 CBADHO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000877146631 584167942 /nfs/dbraw/zinc/16/79/42/584167942.db2.gz WTVKLEFJZDDMPL-JQWIXIFHSA-N 1 3 266.345 -0.357 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000877244468 584171893 /nfs/dbraw/zinc/17/18/93/584171893.db2.gz DPFGAZLZEVZHJS-UMSPYCQHSA-N 1 3 265.361 -0.088 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC000877243818 584172023 /nfs/dbraw/zinc/17/20/23/584172023.db2.gz OWEMCMIQEXTRNK-SRVKXCTJSA-N 1 3 282.388 -0.750 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000877248579 584172329 /nfs/dbraw/zinc/17/23/29/584172329.db2.gz BQXAYBQIZHPFBV-STQMWFEESA-N 1 3 266.389 -0.556 20 0 CBADHO C[N@H+]1CC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]21 ZINC000877248579 584172330 /nfs/dbraw/zinc/17/23/30/584172330.db2.gz BQXAYBQIZHPFBV-STQMWFEESA-N 1 3 266.389 -0.556 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250628 584172593 /nfs/dbraw/zinc/17/25/93/584172593.db2.gz QYSOXRZCVICPAW-OBJOEFQTSA-N 1 3 296.415 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250628 584172596 /nfs/dbraw/zinc/17/25/96/584172596.db2.gz QYSOXRZCVICPAW-OBJOEFQTSA-N 1 3 296.415 -0.362 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877267267 584173913 /nfs/dbraw/zinc/17/39/13/584173913.db2.gz WOMJWMGHMAIRQV-GRYCIOLGSA-N 1 3 254.378 -0.524 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877273256 584175119 /nfs/dbraw/zinc/17/51/19/584175119.db2.gz NKPGJZSBZZWAMO-RYUDHWBXSA-N 1 3 252.362 -0.756 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327114 584178633 /nfs/dbraw/zinc/17/86/33/584178633.db2.gz MTZIWEVNJKSXPW-NEPJUHHUSA-N 1 3 284.404 -0.850 20 0 CBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327115 584178677 /nfs/dbraw/zinc/17/86/77/584178677.db2.gz MTZIWEVNJKSXPW-RYUDHWBXSA-N 1 3 284.404 -0.850 20 0 CBADHO O=C(CN1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2CN1 ZINC000877338715 584179105 /nfs/dbraw/zinc/17/91/05/584179105.db2.gz KSDOHHJUFVBNFE-OAHLLOKOSA-N 1 3 288.395 -0.278 20 0 CBADHO CN(CCc1nnnn1C)CCN(C)C1CC[NH+](C)CC1 ZINC000878312557 584199035 /nfs/dbraw/zinc/19/90/35/584199035.db2.gz OHKDAXYBPWULGA-UHFFFAOYSA-N 1 3 295.435 -0.290 20 0 CBADHO C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1N1CCN(C)CC1 ZINC000878324958 584199938 /nfs/dbraw/zinc/19/99/38/584199938.db2.gz PPAAOAYGQUJLCG-KGLIPLIRSA-N 1 3 293.419 -0.369 20 0 CBADHO C[C@@H]1C[N@@H+](CCn2cnnn2)CC[C@@H]1N1CCN(C)CC1 ZINC000878324958 584199940 /nfs/dbraw/zinc/19/99/40/584199940.db2.gz PPAAOAYGQUJLCG-KGLIPLIRSA-N 1 3 293.419 -0.369 20 0 CBADHO CN1CC[C@@]2(CC[N@H+](CCc3nnnn3C)C2)C1 ZINC000878646220 584211908 /nfs/dbraw/zinc/21/19/08/584211908.db2.gz XJHBSCSZSAGHHK-GFCCVEGCSA-N 1 3 250.350 -0.220 20 0 CBADHO CN1CC[C@@]2(CC[N@@H+](CCc3nnnn3C)C2)C1 ZINC000878646220 584211909 /nfs/dbraw/zinc/21/19/09/584211909.db2.gz XJHBSCSZSAGHHK-GFCCVEGCSA-N 1 3 250.350 -0.220 20 0 CBADHO C[C@]12CN(C[C@H](O)C[NH+]3CCCC3)C[C@]1(C)C(=O)NC2=O ZINC000879158776 584228669 /nfs/dbraw/zinc/22/86/69/584228669.db2.gz XYMIGOJLEQIXIK-KCPJHIHWSA-N 1 3 295.383 -0.572 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535071 584239170 /nfs/dbraw/zinc/23/91/70/584239170.db2.gz FNRUHRNTFHZZQH-UTUOFQBUSA-N 1 3 283.372 -0.766 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535071 584239171 /nfs/dbraw/zinc/23/91/71/584239171.db2.gz FNRUHRNTFHZZQH-UTUOFQBUSA-N 1 3 283.372 -0.766 20 0 CBADHO OC[C@H]1C=CCN1CCOCC[N@@H+]1CC=C[C@H]1CO ZINC000880488579 584276176 /nfs/dbraw/zinc/27/61/76/584276176.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 1 3 268.357 -0.532 20 0 CBADHO OC[C@H]1C=CCN1CCOCC[N@H+]1CC=C[C@H]1CO ZINC000880488579 584276178 /nfs/dbraw/zinc/27/61/78/584276178.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 1 3 268.357 -0.532 20 0 CBADHO OC[C@H]1C=CC[N@H+]1CCOCCN1CC=C[C@H]1CO ZINC000880488579 584276179 /nfs/dbraw/zinc/27/61/79/584276179.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 1 3 268.357 -0.532 20 0 CBADHO OC[C@H]1C=CC[N@@H+]1CCOCCN1CC=C[C@H]1CO ZINC000880488579 584276181 /nfs/dbraw/zinc/27/61/81/584276181.db2.gz HVLQJTRPSYEBGA-OKILXGFUSA-N 1 3 268.357 -0.532 20 0 CBADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCn3cnnn3)CC2)C1 ZINC000883432886 584342251 /nfs/dbraw/zinc/34/22/51/584342251.db2.gz CNPSLWDQKWROOZ-OLZOCXBDSA-N 1 3 280.376 -0.109 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884008702 584355360 /nfs/dbraw/zinc/35/53/60/584355360.db2.gz YWRTYQYTGKHFDE-GFCCVEGCSA-N 1 3 275.356 -0.336 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)c1ccnc(N2CCNCC2)c1 ZINC000884024320 584356469 /nfs/dbraw/zinc/35/64/69/584356469.db2.gz OAGQBRCWVSCRLR-CYBMUJFWSA-N 1 3 289.383 -0.027 20 0 CBADHO [NH3+]C[C@H](NC(=O)c1ccnc(N2CCNCC2)c1)C1CC1 ZINC000884036880 584357015 /nfs/dbraw/zinc/35/70/15/584357015.db2.gz JQHPIPGRAMLASH-ZDUSSCGKSA-N 1 3 289.383 -0.042 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884213778 584367614 /nfs/dbraw/zinc/36/76/14/584367614.db2.gz KYMQEHSBEPGVRM-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H](NC(=O)c1ccnc(N2CCNCC2)c1)[C@H](C)[NH3+] ZINC000884297085 584372768 /nfs/dbraw/zinc/37/27/68/584372768.db2.gz KKLQQJAHCVGMQU-WDEREUQCSA-N 1 3 277.372 -0.043 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884297082 584372825 /nfs/dbraw/zinc/37/28/25/584372825.db2.gz KKLQQJAHCVGMQU-GHMZBOCLSA-N 1 3 277.372 -0.043 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000884336371 584375228 /nfs/dbraw/zinc/37/52/28/584375228.db2.gz OQJCLVCRANGJHO-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000884348092 584375782 /nfs/dbraw/zinc/37/57/82/584375782.db2.gz NTEUYDUFBFAFIS-MXWKQRLJSA-N 1 3 255.362 -0.003 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884445194 584381983 /nfs/dbraw/zinc/38/19/83/584381983.db2.gz HIXMPVBVKIPOCB-WCQYABFASA-N 1 3 289.383 -0.029 20 0 CBADHO CO[C@@H](CN)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884452227 584382473 /nfs/dbraw/zinc/38/24/73/584382473.db2.gz LHFHRZJAGVYSCE-ZDUSSCGKSA-N 1 3 263.341 -0.078 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884545490 584387375 /nfs/dbraw/zinc/38/73/75/584387375.db2.gz JCPORPKGBJSIPH-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884577497 584388763 /nfs/dbraw/zinc/38/87/63/584388763.db2.gz GUFDASNDUCXIMI-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000884577192 584388809 /nfs/dbraw/zinc/38/88/09/584388809.db2.gz ZHVOOZYHUPBKCV-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884576696 584388833 /nfs/dbraw/zinc/38/88/33/584388833.db2.gz NSIMCKQCOXACLS-STQMWFEESA-N 1 3 294.399 -0.593 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000884650504 584392471 /nfs/dbraw/zinc/39/24/71/584392471.db2.gz MGCZDQQWPJJCGB-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000884673200 584394281 /nfs/dbraw/zinc/39/42/81/584394281.db2.gz QDHJSHBZXUWESW-LLVKDONJSA-N 1 3 291.355 -0.806 20 0 CBADHO CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884673818 584394465 /nfs/dbraw/zinc/39/44/65/584394465.db2.gz GUTGIVKNSJKALU-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCN)CC1 ZINC000884673537 584394498 /nfs/dbraw/zinc/39/44/98/584394498.db2.gz ZUVGJBKKRTUBHO-UHFFFAOYSA-N 1 3 282.388 -0.462 20 0 CBADHO CN1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CCC1(C)C ZINC000884675572 584394662 /nfs/dbraw/zinc/39/46/62/584394662.db2.gz HYPUHYBLXYJMIP-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC2CNC2)CC1 ZINC000884692864 584397808 /nfs/dbraw/zinc/39/78/08/584397808.db2.gz BKXKGYDEIIUQFR-UHFFFAOYSA-N 1 3 282.388 -0.547 20 0 CBADHO CN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CCC1(C)C ZINC000884714832 584399774 /nfs/dbraw/zinc/39/97/74/584399774.db2.gz BOSVZXAQPFQIRT-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884824599 584403990 /nfs/dbraw/zinc/40/39/90/584403990.db2.gz DGAXYCJCMGBOMZ-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198663 584410014 /nfs/dbraw/zinc/41/00/14/584410014.db2.gz AARVORKTFJESJW-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885202597 584410097 /nfs/dbraw/zinc/41/00/97/584410097.db2.gz BMNFETNVBZQZPZ-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513940 584583468 /nfs/dbraw/zinc/58/34/68/584583468.db2.gz KHPDEANIMLUKMJ-CYDGBPFRSA-N 1 3 282.388 -0.114 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCOCCN(C)C ZINC000891840785 584593025 /nfs/dbraw/zinc/59/30/25/584593025.db2.gz DEJLKIRAJVRPBL-MNOVXSKESA-N 1 3 258.366 -0.304 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000891985210 584597123 /nfs/dbraw/zinc/59/71/23/584597123.db2.gz YNKSMYDHHISVIM-JTQLQIEISA-N 1 3 258.366 -0.520 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892024129 584599296 /nfs/dbraw/zinc/59/92/96/584599296.db2.gz OCMDUPBAIJJFDD-RYUDHWBXSA-N 1 3 284.404 -0.132 20 0 CBADHO COCCNCCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892051721 584601607 /nfs/dbraw/zinc/60/16/07/584601607.db2.gz WUELXHVLTYUYES-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000892051721 584601608 /nfs/dbraw/zinc/60/16/08/584601608.db2.gz WUELXHVLTYUYES-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892051726 584601622 /nfs/dbraw/zinc/60/16/22/584601622.db2.gz WUELXHVLTYUYES-STQMWFEESA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892051726 584601623 /nfs/dbraw/zinc/60/16/23/584601623.db2.gz WUELXHVLTYUYES-STQMWFEESA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892054709 584601940 /nfs/dbraw/zinc/60/19/40/584601940.db2.gz FYVQPQQWJYPRSM-GHMZBOCLSA-N 1 3 258.366 -0.209 20 0 CBADHO O=C(NC[C@H]1CNCCO1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892188979 584608692 /nfs/dbraw/zinc/60/86/92/584608692.db2.gz KYEIBQKBERPIFN-NXEZZACHSA-N 1 3 292.330 -0.481 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000892189981 584608728 /nfs/dbraw/zinc/60/87/28/584608728.db2.gz QTFZSKCOIOBYKB-MXWKQRLJSA-N 1 3 256.350 -0.456 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](CN)C1 ZINC000892586888 584620134 /nfs/dbraw/zinc/62/01/34/584620134.db2.gz GDRCRXUJBFGIMH-XJFOESAGSA-N 1 3 295.431 -0.199 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892593015 584620523 /nfs/dbraw/zinc/62/05/23/584620523.db2.gz GCNOYBHECGXUTI-XFMPKHEZSA-N 1 3 296.415 -0.117 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892686885 584622856 /nfs/dbraw/zinc/62/28/56/584622856.db2.gz FIBUGIRETOLFLK-BETUJISGSA-N 1 3 284.404 -0.232 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892686885 584622857 /nfs/dbraw/zinc/62/28/57/584622857.db2.gz FIBUGIRETOLFLK-BETUJISGSA-N 1 3 284.404 -0.232 20 0 CBADHO CN1CCC(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000894726427 584663190 /nfs/dbraw/zinc/66/31/90/584663190.db2.gz UGFLOEQZYIJJNU-PHIMTYICSA-N 1 3 251.330 -0.467 20 0 CBADHO CN1CCC(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000894726427 584663192 /nfs/dbraw/zinc/66/31/92/584663192.db2.gz UGFLOEQZYIJJNU-PHIMTYICSA-N 1 3 251.330 -0.467 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000896682450 584704802 /nfs/dbraw/zinc/70/48/02/584704802.db2.gz SXNFYFIHOKEMOK-QWHCGFSZSA-N 1 3 298.431 -0.160 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000897495193 584718182 /nfs/dbraw/zinc/71/81/82/584718182.db2.gz SMNDTNYIUGEBTO-TZMCWYRMSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000897495193 584718184 /nfs/dbraw/zinc/71/81/84/584718184.db2.gz SMNDTNYIUGEBTO-TZMCWYRMSA-N 1 3 284.404 -0.164 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000899734298 584777239 /nfs/dbraw/zinc/77/72/39/584777239.db2.gz ZRLMIKKHUFWAOS-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899734298 584777241 /nfs/dbraw/zinc/77/72/41/584777241.db2.gz ZRLMIKKHUFWAOS-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(C)CCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900926355 584833283 /nfs/dbraw/zinc/83/32/83/584833283.db2.gz GMLQOLDFPLLGFV-CYBMUJFWSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(C)CCN(C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900926355 584833284 /nfs/dbraw/zinc/83/32/84/584833284.db2.gz GMLQOLDFPLLGFV-CYBMUJFWSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)OC1COC1 ZINC000902845111 584885046 /nfs/dbraw/zinc/88/50/46/584885046.db2.gz PLPBPZLANGITSO-UHFFFAOYSA-N 1 3 259.350 -0.053 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCN1CCCC1=O)C2 ZINC000903493146 584891835 /nfs/dbraw/zinc/89/18/35/584891835.db2.gz VMLAHSWWQUISKM-ZOWXZIJZSA-N 1 3 295.383 -0.179 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)N1CCNCC1 ZINC000903531542 584892715 /nfs/dbraw/zinc/89/27/15/584892715.db2.gz MBVXDXSFRDWRAX-VXGBXAGGSA-N 1 3 288.417 -0.660 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)[C@H]1CCCNC1 ZINC000903550441 584892915 /nfs/dbraw/zinc/89/29/15/584892915.db2.gz GAUYYABTMPTUTJ-VHSXEESVSA-N 1 3 261.391 -0.344 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903564070 584893317 /nfs/dbraw/zinc/89/33/17/584893317.db2.gz PHHFSPNBBMLLON-UHFFFAOYSA-N 1 3 292.449 -0.719 20 0 CBADHO O=S(=O)(NC[C@H]1CCCCC[NH2+]1)N1CCNCC1 ZINC000903567131 584893535 /nfs/dbraw/zinc/89/35/35/584893535.db2.gz YWOHQHFMBRXMTE-LLVKDONJSA-N 1 3 276.406 -0.742 20 0 CBADHO O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1CCCNC1 ZINC000903609475 584894967 /nfs/dbraw/zinc/89/49/67/584894967.db2.gz GUZIPNXZZZMTGM-TUAOUCFPSA-N 1 3 273.402 -0.200 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@H]1CC[NH3+] ZINC000903719603 584895771 /nfs/dbraw/zinc/89/57/71/584895771.db2.gz PHVZZZWQERSOMJ-VXGBXAGGSA-N 1 3 284.404 -0.550 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903760881 584897861 /nfs/dbraw/zinc/89/78/61/584897861.db2.gz WMCSZUCQPXCFCT-LBPRGKRZSA-N 1 3 296.415 -0.265 20 0 CBADHO C[NH2+]CCN(C(=O)C(=O)N(C)CCN(C)C)C(C)C ZINC000903808517 584900383 /nfs/dbraw/zinc/90/03/83/584900383.db2.gz HSFBEKNWSBDHBJ-UHFFFAOYSA-N 1 3 272.393 -0.537 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827217 584900983 /nfs/dbraw/zinc/90/09/83/584900983.db2.gz QRFKQRHQNGWJMH-DRZSPHRISA-N 1 3 255.362 -0.456 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827217 584900984 /nfs/dbraw/zinc/90/09/84/584900984.db2.gz QRFKQRHQNGWJMH-DRZSPHRISA-N 1 3 255.362 -0.456 20 0 CBADHO O=C1NC[C@@H]2CN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000903896873 584904182 /nfs/dbraw/zinc/90/41/82/584904182.db2.gz ALUODARZYMUFTE-PSEXLTFBSA-N 1 3 292.383 -0.840 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC1CCN(S(C)(=O)=O)CC1 ZINC000903967726 584905098 /nfs/dbraw/zinc/90/50/98/584905098.db2.gz MEEOUPGOCYLJFB-MNOVXSKESA-N 1 3 275.418 -0.145 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968850511 614660258 /nfs/dbraw/zinc/66/02/58/614660258.db2.gz BLXOXUKZFSKYBI-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968850511 614660260 /nfs/dbraw/zinc/66/02/60/614660260.db2.gz BLXOXUKZFSKYBI-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC000969985648 615374767 /nfs/dbraw/zinc/37/47/67/615374767.db2.gz LANRRYMPFWGQQT-MXWKQRLJSA-N 1 3 270.377 -0.609 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCO)C1)N(C)C ZINC000972355796 615376392 /nfs/dbraw/zinc/37/63/92/615376392.db2.gz ZTVNOVHTVAJSBS-RYUDHWBXSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)N(C)C ZINC000972355796 615376394 /nfs/dbraw/zinc/37/63/94/615376394.db2.gz ZTVNOVHTVAJSBS-RYUDHWBXSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC000969074585 615602770 /nfs/dbraw/zinc/60/27/70/615602770.db2.gz JSSDKTBMGZOCKM-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000968921738 615822003 /nfs/dbraw/zinc/82/20/03/615822003.db2.gz HTRBUNFFBFXGMD-YPMHNXCESA-N 1 3 296.415 -0.075 20 0 CBADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCO)C1)C1CCC1 ZINC000971689207 616045277 /nfs/dbraw/zinc/04/52/77/616045277.db2.gz GBIORISIEMHSIQ-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1)C1CCC1 ZINC000971689207 616045278 /nfs/dbraw/zinc/04/52/78/616045278.db2.gz GBIORISIEMHSIQ-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO COCCN1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590957 616450723 /nfs/dbraw/zinc/45/07/23/616450723.db2.gz DCXVTVAKLHQFGL-STQMWFEESA-N 1 3 297.399 -0.863 20 0 CBADHO CN1C[C@@H]2[C@@H](CCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)C1=O ZINC000923375582 658247624 /nfs/dbraw/zinc/24/76/24/658247624.db2.gz BFJGGSCZZXKXSA-YNEHKIRRSA-N 1 3 279.384 -0.083 20 0 CBADHO CC(C)OCC[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC000923459465 658286509 /nfs/dbraw/zinc/28/65/09/658286509.db2.gz BVPGXCIJKBSDME-CYBMUJFWSA-N 1 3 259.394 -0.343 20 0 CBADHO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)C1CNC1)CC2 ZINC000923687988 658397771 /nfs/dbraw/zinc/39/77/71/658397771.db2.gz OUOBFJSFAJBIMJ-JTQLQIEISA-N 1 3 289.401 -0.882 20 0 CBADHO CN(C1CCC([NH3+])CC1)S(=O)(=O)N1CCNCC1 ZINC000923572721 658334662 /nfs/dbraw/zinc/33/46/62/658334662.db2.gz FXNFQSABYWDYTA-UHFFFAOYSA-N 1 3 276.406 -0.662 20 0 CBADHO C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CCN1C ZINC000923619586 658354706 /nfs/dbraw/zinc/35/47/06/658354706.db2.gz XNDOTSZNNMCZIK-RYUDHWBXSA-N 1 3 290.433 -0.449 20 0 CBADHO [NH3+][C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1C(F)(F)F ZINC000923678348 658398180 /nfs/dbraw/zinc/39/81/80/658398180.db2.gz WXTBDYRZATZCMJ-HTQZYQBOSA-N 1 3 287.307 -0.501 20 0 CBADHO CC[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000923636737 658368159 /nfs/dbraw/zinc/36/81/59/658368159.db2.gz NHGPNGUGHGUCCH-QWRGUYRKSA-N 1 3 276.406 -0.804 20 0 CBADHO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)C1CNC1 ZINC000923638550 658369092 /nfs/dbraw/zinc/36/90/92/658369092.db2.gz OKMQZFPABPPACH-UHFFFAOYSA-N 1 3 267.354 -0.319 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923639358 658369360 /nfs/dbraw/zinc/36/93/60/658369360.db2.gz LQSACXBFCBCIDW-NSHDSACASA-N 1 3 276.406 -0.803 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)C2CNC2)CC1 ZINC000923641038 658370204 /nfs/dbraw/zinc/37/02/04/658370204.db2.gz OLFLWMREDWWVQM-MGCOHNPYSA-N 1 3 261.391 -0.357 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923642630 658370682 /nfs/dbraw/zinc/37/06/82/658370682.db2.gz GAOCTFQBCJMMIX-NSHDSACASA-N 1 3 259.375 -0.637 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)N2CCNCC2)CC1 ZINC000923641074 658370867 /nfs/dbraw/zinc/37/08/67/658370867.db2.gz PFMLPMNWDQNXMM-HAQNSBGRSA-N 1 3 290.433 -0.509 20 0 CBADHO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)C1CNC1 ZINC000923656881 658381463 /nfs/dbraw/zinc/38/14/63/658381463.db2.gz VKAXXLQCKVAUBM-VIFPVBQESA-N 1 3 259.375 -0.448 20 0 CBADHO [NH3+][C@H](CCNS(=O)(=O)C1CNC1)Cc1ccccc1 ZINC000923665713 658386781 /nfs/dbraw/zinc/38/67/81/658386781.db2.gz JWQSJOGAFXDAEQ-GFCCVEGCSA-N 1 3 283.397 -0.162 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923665228 658387873 /nfs/dbraw/zinc/38/78/73/658387873.db2.gz USOFVZNMKSAIDX-TXEJJXNPSA-N 1 3 288.417 -0.932 20 0 CBADHO COC(=O)c1cn(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)nn1 ZINC000925667355 658864958 /nfs/dbraw/zinc/86/49/58/658864958.db2.gz QNHMYPAKPYFNEX-MNOVXSKESA-N 1 3 279.344 -0.076 20 0 CBADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788396 658871927 /nfs/dbraw/zinc/87/19/27/658871927.db2.gz IFYWKJJFLGTVKR-XQQFMLRXSA-N 1 3 289.445 -0.130 20 0 CBADHO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCCCN1 ZINC000925790040 658872181 /nfs/dbraw/zinc/87/21/81/658872181.db2.gz FGXWARPAEWGDJS-UPJWGTAASA-N 1 3 289.445 -0.117 20 0 CBADHO CCOC(=O)C1([C@H](C)N[C@H]2CNOC2)CC[NH2+]CC1 ZINC000925868466 658874713 /nfs/dbraw/zinc/87/47/13/658874713.db2.gz ZUGLQZNOQLLQTB-QWRGUYRKSA-N 1 3 271.361 -0.199 20 0 CBADHO CC(=O)[C@@](C)(O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481419 659471379 /nfs/dbraw/zinc/47/13/79/659471379.db2.gz IAVMMSFCRKDUCK-LBPRGKRZSA-N 1 3 258.362 -0.285 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(CC[NH3+])CC1 ZINC000059835246 656031052 /nfs/dbraw/zinc/03/10/52/656031052.db2.gz RHTJMESPBZVBHI-UHFFFAOYSA-N 1 3 254.378 -0.249 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000091667899 656058846 /nfs/dbraw/zinc/05/88/46/656058846.db2.gz OJVFDJVHCRVYOU-GXTWGEPZSA-N 1 3 297.399 -0.266 20 0 CBADHO CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CC[NH3+])C1 ZINC000125532916 656067375 /nfs/dbraw/zinc/06/73/75/656067375.db2.gz QWCGAEVYDLILAN-UWVGGRQHSA-N 1 3 256.350 -0.109 20 0 CBADHO C[C@@H](C(=O)NC(N)=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000261557953 656124755 /nfs/dbraw/zinc/12/47/55/656124755.db2.gz CXJBDBXQQGKYEB-VIFPVBQESA-N 1 3 254.334 -0.355 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262041246 656128575 /nfs/dbraw/zinc/12/85/75/656128575.db2.gz HQDHMZXNPGVPQU-MDZLAQPJSA-N 1 3 284.404 -0.280 20 0 CBADHO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CN2CCC1CC2 ZINC000702421414 656180901 /nfs/dbraw/zinc/18/09/01/656180901.db2.gz OWPQPJFJVFSTEC-NWDGAFQWSA-N 1 3 254.378 -0.572 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702422112 656180988 /nfs/dbraw/zinc/18/09/88/656180988.db2.gz RGAOMHFYXXRHKQ-RYUDHWBXSA-N 1 3 256.394 -0.278 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702422112 656180990 /nfs/dbraw/zinc/18/09/90/656180990.db2.gz RGAOMHFYXXRHKQ-RYUDHWBXSA-N 1 3 256.394 -0.278 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000702430650 656181347 /nfs/dbraw/zinc/18/13/47/656181347.db2.gz OFHQJPLQCLSNSN-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000702430650 656181348 /nfs/dbraw/zinc/18/13/48/656181348.db2.gz OFHQJPLQCLSNSN-LBPRGKRZSA-N 1 3 256.394 -0.134 20 0 CBADHO CC(C)C[C@@H](CNC(=O)[C@@H](N)CN(C)C)[NH+](C)C ZINC000702431442 656181504 /nfs/dbraw/zinc/18/15/04/656181504.db2.gz TVKNSXJQUNWOMW-RYUDHWBXSA-N 1 3 258.410 -0.032 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000707966058 656190808 /nfs/dbraw/zinc/19/08/08/656190808.db2.gz KRGSHRXXCBEITG-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO NC(=O)NC(=O)CC[N@@H+]1CCNCCC12CCC2 ZINC000713217995 656211997 /nfs/dbraw/zinc/21/19/97/656211997.db2.gz UGIJWTJYJDMXKT-UHFFFAOYSA-N 1 3 254.334 -0.211 20 0 CBADHO NC(=O)NC(=O)CC[N@H+]1CCNCCC12CCC2 ZINC000713217995 656212001 /nfs/dbraw/zinc/21/20/01/656212001.db2.gz UGIJWTJYJDMXKT-UHFFFAOYSA-N 1 3 254.334 -0.211 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000715528904 656220030 /nfs/dbraw/zinc/22/00/30/656220030.db2.gz BYGKXNVHWAGOKX-RYUDHWBXSA-N 1 3 290.433 -0.401 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000715528898 656220366 /nfs/dbraw/zinc/22/03/66/656220366.db2.gz BYGKXNVHWAGOKX-NEPJUHHUSA-N 1 3 290.433 -0.401 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884787518 656255320 /nfs/dbraw/zinc/25/53/20/656255320.db2.gz UWNSOVKUIHZVLR-UTUOFQBUSA-N 1 3 282.388 -0.465 20 0 CBADHO c1nnnn1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506002 656321991 /nfs/dbraw/zinc/32/19/91/656321991.db2.gz LOMKRGYQOVVUDB-OKILXGFUSA-N 1 3 291.403 -0.426 20 0 CBADHO c1nnnn1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506002 656321995 /nfs/dbraw/zinc/32/19/95/656321995.db2.gz LOMKRGYQOVVUDB-OKILXGFUSA-N 1 3 291.403 -0.426 20 0 CBADHO CNS(=O)(=O)[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904320743 656324489 /nfs/dbraw/zinc/32/44/89/656324489.db2.gz NVSRKNKMPVXLBY-AXFHLTTASA-N 1 3 261.391 -0.263 20 0 CBADHO Cn1ccnc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)c1=O ZINC000904324633 656325470 /nfs/dbraw/zinc/32/54/70/656325470.db2.gz ZJACPTDACMFUCZ-TXEJJXNPSA-N 1 3 277.372 -0.360 20 0 CBADHO CCC[C@](C)([NH3+])C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000904938802 656330269 /nfs/dbraw/zinc/33/02/69/656330269.db2.gz JWTAKXXCISUGPK-AWEZNQCLSA-N 1 3 286.420 -0.018 20 0 CBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)C[C@]2(C)C1 ZINC000904957995 656330604 /nfs/dbraw/zinc/33/06/04/656330604.db2.gz CKCGKOHYLHQTPJ-DOMZBBRYSA-N 1 3 294.399 -0.782 20 0 CBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)C[C@]2(C)C1 ZINC000904957995 656330607 /nfs/dbraw/zinc/33/06/07/656330607.db2.gz CKCGKOHYLHQTPJ-DOMZBBRYSA-N 1 3 294.399 -0.782 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905002196 656332321 /nfs/dbraw/zinc/33/23/21/656332321.db2.gz RNVBXDSNLFKFQH-RISCZKNCSA-N 1 3 282.388 -0.654 20 0 CBADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)C1(O)CCOCC1 ZINC000905060960 656336488 /nfs/dbraw/zinc/33/64/88/656336488.db2.gz ZMVJSXYIAMQCIF-OCCSQVGLSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060960 656336491 /nfs/dbraw/zinc/33/64/91/656336491.db2.gz ZMVJSXYIAMQCIF-OCCSQVGLSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060960 656336494 /nfs/dbraw/zinc/33/64/94/656336494.db2.gz ZMVJSXYIAMQCIF-OCCSQVGLSA-N 1 3 284.400 -0.037 20 0 CBADHO CN1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000905086008 656337063 /nfs/dbraw/zinc/33/70/63/656337063.db2.gz GSYOEKXWUBHSFZ-UHFFFAOYSA-N 1 3 268.405 -0.356 20 0 CBADHO CN1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000905086008 656337060 /nfs/dbraw/zinc/33/70/60/656337060.db2.gz GSYOEKXWUBHSFZ-UHFFFAOYSA-N 1 3 268.405 -0.356 20 0 CBADHO C[C@H](CC[NH+](C)C)NC[C@H](O)C[C@]1(O)CCOC1 ZINC000905108941 656338870 /nfs/dbraw/zinc/33/88/70/656338870.db2.gz AINKDISGBRAHAM-JHJVBQTASA-N 1 3 260.378 -0.181 20 0 CBADHO O[C@@H](CN[C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100390 656339032 /nfs/dbraw/zinc/33/90/32/656339032.db2.gz DRCHZLFBRVBVLL-KBPBESRZSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@@H](CN[C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100390 656339035 /nfs/dbraw/zinc/33/90/35/656339035.db2.gz DRCHZLFBRVBVLL-KBPBESRZSA-N 1 3 284.400 -0.037 20 0 CBADHO O=C1NCCN1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000905481947 656359636 /nfs/dbraw/zinc/35/96/36/656359636.db2.gz ORJYIACOBRTTCJ-NSHDSACASA-N 1 3 256.350 -0.942 20 0 CBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCC(N)=O ZINC000996522118 656417579 /nfs/dbraw/zinc/41/75/79/656417579.db2.gz VUZKMUXQSFYEHA-NSHDSACASA-N 1 3 294.399 -0.606 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCO)CC1)C1CC1 ZINC000996680073 656451382 /nfs/dbraw/zinc/45/13/82/656451382.db2.gz SKLMXXYGHZVLAH-ZDUSSCGKSA-N 1 3 269.389 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000997010184 656463897 /nfs/dbraw/zinc/46/38/97/656463897.db2.gz RDQVUSAPUZKHSU-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307802 656472778 /nfs/dbraw/zinc/47/27/78/656472778.db2.gz VZEZZMRNABDTRL-UHFFFAOYSA-N 1 3 268.361 -0.852 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998724014 656572680 /nfs/dbraw/zinc/57/26/80/656572680.db2.gz UAOCSDXPIWJZLT-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000907782573 656576173 /nfs/dbraw/zinc/57/61/73/656576173.db2.gz MNNVRUKQKGMVGB-CYBMUJFWSA-N 1 3 266.345 -0.133 20 0 CBADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168499 656614282 /nfs/dbraw/zinc/61/42/82/656614282.db2.gz BSBKSXRQNZJLFA-OLZOCXBDSA-N 1 3 294.399 -0.606 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363346 656625732 /nfs/dbraw/zinc/62/57/32/656625732.db2.gz GONBEHBKPXPBNT-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363343 656626090 /nfs/dbraw/zinc/62/60/90/656626090.db2.gz GONBEHBKPXPBNT-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(N)=O ZINC000999832311 656655693 /nfs/dbraw/zinc/65/56/93/656655693.db2.gz DIFMCEJRCDHODE-UNXYVOJBSA-N 1 3 282.388 -0.465 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999876491 656663625 /nfs/dbraw/zinc/66/36/25/656663625.db2.gz MGPKHPYLUJXERH-WXRRBKDZSA-N 1 3 296.415 -0.075 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000917771 656774619 /nfs/dbraw/zinc/77/46/19/656774619.db2.gz MHPROOIBWHSXPB-WDEREUQCSA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000917771 656774623 /nfs/dbraw/zinc/77/46/23/656774623.db2.gz MHPROOIBWHSXPB-WDEREUQCSA-N 1 3 268.361 -0.996 20 0 CBADHO NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000992500 656780452 /nfs/dbraw/zinc/78/04/52/656780452.db2.gz MFCATMJXBOSANM-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272565 656804361 /nfs/dbraw/zinc/80/43/61/656804361.db2.gz LDQYDOVWFSPRNL-JSGCOSHPSA-N 1 3 285.388 -0.986 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315555 656805673 /nfs/dbraw/zinc/80/56/73/656805673.db2.gz RMBHDRQCUBKCGP-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315555 656805678 /nfs/dbraw/zinc/80/56/78/656805678.db2.gz RMBHDRQCUBKCGP-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCO)CC2)C1 ZINC001003970844 656878421 /nfs/dbraw/zinc/87/84/21/656878421.db2.gz LGFUVCGWHCYNDQ-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCO)CC2)C1 ZINC001003970844 656878425 /nfs/dbraw/zinc/87/84/25/656878425.db2.gz LGFUVCGWHCYNDQ-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCO)CC1 ZINC001005183837 656895065 /nfs/dbraw/zinc/89/50/65/656895065.db2.gz KQILYGPQNLGQOY-CYBMUJFWSA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCC(C)CC1 ZINC000911090403 656945035 /nfs/dbraw/zinc/94/50/35/656945035.db2.gz IDQKORYVXUEMPH-LBPRGKRZSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCO)CC1 ZINC001006401372 656945372 /nfs/dbraw/zinc/94/53/72/656945372.db2.gz QZZQUXUSGQENJM-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCO)CC1 ZINC001006401372 656945376 /nfs/dbraw/zinc/94/53/76/656945376.db2.gz QZZQUXUSGQENJM-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)CN1CCCC1)C1CC[NH+](CCO)CC1 ZINC001006412510 656945569 /nfs/dbraw/zinc/94/55/69/656945569.db2.gz GFRFELVRYZNOAE-UHFFFAOYSA-N 1 3 269.389 -0.003 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911161537 656967530 /nfs/dbraw/zinc/96/75/30/656967530.db2.gz LONXZRQVJSMZFP-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911208140 656985663 /nfs/dbraw/zinc/98/56/63/656985663.db2.gz JXQIVVQIRGDNGM-FRRDWIJNSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911223671 656991907 /nfs/dbraw/zinc/99/19/07/656991907.db2.gz RDNZBADCJCEMJW-KGYLQXTDSA-N 1 3 294.399 -0.689 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000911268005 657003364 /nfs/dbraw/zinc/00/33/64/657003364.db2.gz SSOXJHQYPBPDPD-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000911298371 657014151 /nfs/dbraw/zinc/01/41/51/657014151.db2.gz QRBAPDIYDSDPQF-LBPRGKRZSA-N 1 3 296.415 -0.312 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000911298370 657014324 /nfs/dbraw/zinc/01/43/24/657014324.db2.gz QRBAPDIYDSDPQF-GFCCVEGCSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000911369695 657028619 /nfs/dbraw/zinc/02/86/19/657028619.db2.gz ACYLVVKHXRPHSM-ZYHUDNBSSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000911382743 657032699 /nfs/dbraw/zinc/03/26/99/657032699.db2.gz OJPVDCWYZMBTKS-FRRDWIJNSA-N 1 3 296.415 -0.489 20 0 CBADHO Cc1cccc(NCCNC(=O)C(=O)N2CC[NH2+]CC2)n1 ZINC000911477378 657052470 /nfs/dbraw/zinc/05/24/70/657052470.db2.gz BBKXNTDUTRLHFP-UHFFFAOYSA-N 1 3 291.355 -0.650 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911548865 657074586 /nfs/dbraw/zinc/07/45/86/657074586.db2.gz BHKCJGJSHZKGCX-FVCCEPFGSA-N 1 3 294.399 -0.404 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549273 657075158 /nfs/dbraw/zinc/07/51/58/657075158.db2.gz IONRERWAQIOXBV-FRRDWIJNSA-N 1 3 296.415 -0.206 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551441 657076120 /nfs/dbraw/zinc/07/61/20/657076120.db2.gz LRRJHPOSZUWBKZ-MROQNXINSA-N 1 3 294.399 -0.452 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559200 657078342 /nfs/dbraw/zinc/07/83/42/657078342.db2.gz CBLSPYOKNVOADW-IJLUTSLNSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CNCCN1C ZINC000911684276 657103813 /nfs/dbraw/zinc/10/38/13/657103813.db2.gz MPDAFIXGMKTJPA-SDDRHHMPSA-N 1 3 254.378 -0.382 20 0 CBADHO CC[C@H](C)C[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000911694342 657106252 /nfs/dbraw/zinc/10/62/52/657106252.db2.gz VAZCYHKJNDZVON-RYUDHWBXSA-N 1 3 256.394 -0.229 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000911753804 657121863 /nfs/dbraw/zinc/12/18/63/657121863.db2.gz QRBDVKPXKXDHTJ-ZYHUDNBSSA-N 1 3 254.378 -0.524 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H](C)N1 ZINC000911793921 657131045 /nfs/dbraw/zinc/13/10/45/657131045.db2.gz DUISPJIUAFNCRY-TUAOUCFPSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCNCC1(C)C ZINC000911848226 657147466 /nfs/dbraw/zinc/14/74/66/657147466.db2.gz WGMUOHGSTGEANN-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C)C[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911877710 657151964 /nfs/dbraw/zinc/15/19/64/657151964.db2.gz CLRXRZOGVCOEQQ-TUAOUCFPSA-N 1 3 256.394 -0.149 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911880027 657153871 /nfs/dbraw/zinc/15/38/71/657153871.db2.gz JULJATJYIOAYPL-IVZWLZJFSA-N 1 3 261.391 -0.359 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912305244 657227310 /nfs/dbraw/zinc/22/73/10/657227310.db2.gz WIIUUAULKJOSSF-SDDRHHMPSA-N 1 3 284.404 -0.504 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912305244 657227319 /nfs/dbraw/zinc/22/73/19/657227319.db2.gz WIIUUAULKJOSSF-SDDRHHMPSA-N 1 3 284.404 -0.504 20 0 CBADHO CN(CCO)CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000912599749 657289402 /nfs/dbraw/zinc/28/94/02/657289402.db2.gz SBWFEAVCVWDYKZ-UHFFFAOYSA-N 1 3 297.403 -0.559 20 0 CBADHO CN(CCO)CCN(C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000912601080 657292240 /nfs/dbraw/zinc/29/22/40/657292240.db2.gz STBOIZUDFLGAPW-UHFFFAOYSA-N 1 3 299.415 -0.520 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913676027 657582055 /nfs/dbraw/zinc/58/20/55/657582055.db2.gz KIZCCBPDGGTXJA-LBPRGKRZSA-N 1 3 269.389 -0.004 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000916332812 657772249 /nfs/dbraw/zinc/77/22/49/657772249.db2.gz ZKIGGXVOFBWXDG-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000916332812 657772256 /nfs/dbraw/zinc/77/22/56/657772256.db2.gz ZKIGGXVOFBWXDG-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO C[C@H]1[C@H](NC(=O)NC2CCN(CCO)CC2)CC[N@@H+]1C ZINC000917836471 657818467 /nfs/dbraw/zinc/81/84/67/657818467.db2.gz FZIYZHVDUBEALY-WCQYABFASA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]1[C@H](NC(=O)NC2CCN(CCO)CC2)CC[N@H+]1C ZINC000917836471 657818473 /nfs/dbraw/zinc/81/84/73/657818473.db2.gz FZIYZHVDUBEALY-WCQYABFASA-N 1 3 284.404 -0.165 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018855254 657850348 /nfs/dbraw/zinc/85/03/48/657850348.db2.gz UBDHGHCWTNPYDU-NWDGAFQWSA-N 1 3 280.372 -0.996 20 0 CBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001018971877 657855834 /nfs/dbraw/zinc/85/58/34/657855834.db2.gz YERRLNHFZBWINJ-WCQYABFASA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001018963361 657856216 /nfs/dbraw/zinc/85/62/16/657856216.db2.gz LHACQOKTKXANIS-NWDGAFQWSA-N 1 3 294.399 -0.450 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1)[NH+](C)C ZINC001018999512 657858168 /nfs/dbraw/zinc/85/81/68/657858168.db2.gz VUEPKXXTDFNNLN-WOPDTQHZSA-N 1 3 284.404 -0.363 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001019032195 657858984 /nfs/dbraw/zinc/85/89/84/657858984.db2.gz LANRRYMPFWGQQT-OUAUKWLOSA-N 1 3 270.377 -0.609 20 0 CBADHO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001019241629 657876109 /nfs/dbraw/zinc/87/61/09/657876109.db2.gz PJVIQIXOJGCJJT-YNEHKIRRSA-N 1 3 294.399 -0.498 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001019386168 657891908 /nfs/dbraw/zinc/89/19/08/657891908.db2.gz GLDUHHDBPRNEJY-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019438927 657894515 /nfs/dbraw/zinc/89/45/15/657894515.db2.gz WOLMSPXKUPVWDA-UWVGGRQHSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019775120 657938614 /nfs/dbraw/zinc/93/86/14/657938614.db2.gz YAXQXOBYRHGARB-NEPJUHHUSA-N 1 3 255.362 -0.347 20 0 CBADHO CN1CC[C@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000922608354 658061897 /nfs/dbraw/zinc/06/18/97/658061897.db2.gz RPBJFERJAVPQNP-LBPRGKRZSA-N 1 3 270.377 -0.288 20 0 CBADHO CN1CC[C@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000922608354 658061907 /nfs/dbraw/zinc/06/19/07/658061907.db2.gz RPBJFERJAVPQNP-LBPRGKRZSA-N 1 3 270.377 -0.288 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020586789 658076667 /nfs/dbraw/zinc/07/66/67/658076667.db2.gz ZDWGBZMWXGMFFY-LPWJVIDDSA-N 1 3 294.399 -0.404 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020981656 658123113 /nfs/dbraw/zinc/12/31/13/658123113.db2.gz KUNLEYFPFMEWEZ-MGCOHNPYSA-N 1 3 252.318 -0.510 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021096431 658151145 /nfs/dbraw/zinc/15/11/45/658151145.db2.gz SUAAEHKRKUYAQA-IJLUTSLNSA-N 1 3 282.388 -0.417 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000923301153 658198875 /nfs/dbraw/zinc/19/88/75/658198875.db2.gz OUUYNRAVNXEDNE-XUXIUFHCSA-N 1 3 297.399 -0.592 20 0 CBADHO COC(=O)c1ccccc1OCCNC(CN)C[NH3+] ZINC000923358466 658227932 /nfs/dbraw/zinc/22/79/32/658227932.db2.gz CKDASYOMIKKXBP-UHFFFAOYSA-N 1 3 267.329 -0.272 20 0 CBADHO COC(=O)[C@H](NC(CN)C[NH3+])c1ccccc1F ZINC000923359873 658228083 /nfs/dbraw/zinc/22/80/83/658228083.db2.gz VFRUCDBDFYAFJA-LLVKDONJSA-N 1 3 255.293 -0.085 20 0 CBADHO NCC(C[NH3+])NCc1ccc(OCC(F)(F)F)nn1 ZINC000923359923 658229352 /nfs/dbraw/zinc/22/93/52/658229352.db2.gz XSULDAKPKOEYIB-UHFFFAOYSA-N 1 3 279.266 -0.207 20 0 CBADHO O=C1OCCN1[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392402 658253220 /nfs/dbraw/zinc/25/32/20/658253220.db2.gz RIPIOIYHROMDIA-NWDGAFQWSA-N 1 3 281.356 -0.109 20 0 CBADHO C[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413868 658271185 /nfs/dbraw/zinc/27/11/85/658271185.db2.gz JBWFIVRWCSVRIR-ZDCRXTMVSA-N 1 3 255.318 -0.766 20 0 CBADHO CN1CC(=O)N(CC[NH2+][C@@H]2C[C@H](N)C2(C)C)C1=O ZINC000923423046 658273653 /nfs/dbraw/zinc/27/36/53/658273653.db2.gz UVICJEKGIFXQBQ-DTWKUNHWSA-N 1 3 254.334 -0.404 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923562115 658325256 /nfs/dbraw/zinc/32/52/56/658325256.db2.gz DIPKLXULNPWUPB-WDEREUQCSA-N 1 3 276.406 -0.662 20 0 CBADHO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)N1CCNCC1 ZINC000923576631 658335914 /nfs/dbraw/zinc/33/59/14/658335914.db2.gz LEPBGXCUFABOMU-NSHDSACASA-N 1 3 278.422 -0.558 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923575520 658336685 /nfs/dbraw/zinc/33/66/85/658336685.db2.gz DNIXNFCBPXAJBG-ZYHUDNBSSA-N 1 3 273.402 -0.248 20 0 CBADHO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)N1CCNCC1 ZINC000923576629 658337166 /nfs/dbraw/zinc/33/71/66/658337166.db2.gz LEPBGXCUFABOMU-LLVKDONJSA-N 1 3 278.422 -0.558 20 0 CBADHO CCC[NH+]1CCC(CNS(=O)(=O)C2CNC2)CC1 ZINC000923600987 658344699 /nfs/dbraw/zinc/34/46/99/658344699.db2.gz HTPSGVBSTOLPFA-UHFFFAOYSA-N 1 3 275.418 0.000 20 0 CBADHO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C1CNC1 ZINC000923646211 658373072 /nfs/dbraw/zinc/37/30/72/658373072.db2.gz UVABWSHDWOUXJD-UHFFFAOYSA-N 1 3 283.397 -0.209 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923645142 658374477 /nfs/dbraw/zinc/37/44/77/658374477.db2.gz LEOQJGJTVNIZLC-NEPJUHHUSA-N 1 3 289.401 -0.884 20 0 CBADHO C[C@@H]1C[C@H](C)N(S(=O)(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000923649223 658376050 /nfs/dbraw/zinc/37/60/50/658376050.db2.gz NHRKLUIXQDGENU-WOPDTQHZSA-N 1 3 290.433 -0.558 20 0 CBADHO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)C2CNC2)C1 ZINC000923668802 658389595 /nfs/dbraw/zinc/38/95/95/658389595.db2.gz LODRYXYWQBLFSL-GFCCVEGCSA-N 1 3 275.418 -0.015 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923699002 658407532 /nfs/dbraw/zinc/40/75/32/658407532.db2.gz JHZJIPKVGKGMIS-LLVKDONJSA-N 1 3 263.407 -0.061 20 0 CBADHO O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214929 658594033 /nfs/dbraw/zinc/59/40/33/658594033.db2.gz OSSVGURRCJMOGM-STQMWFEESA-N 1 3 297.399 -0.984 20 0 CBADHO CC[N@H+](CCN1C(=O)N[C@@H](CN(C)C)C1=O)C1CC1 ZINC000924575551 658613348 /nfs/dbraw/zinc/61/33/48/658613348.db2.gz XHKBYLSZJLECPW-NSHDSACASA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@@H+](CCN1C(=O)N[C@@H](CN(C)C)C1=O)C1CC1 ZINC000924575551 658613361 /nfs/dbraw/zinc/61/33/61/658613361.db2.gz XHKBYLSZJLECPW-NSHDSACASA-N 1 3 268.361 -0.047 20 0 CBADHO COCC[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924576988 658614888 /nfs/dbraw/zinc/61/48/88/658614888.db2.gz CVENZYLKGYKUHK-VXGBXAGGSA-N 1 3 298.387 -0.421 20 0 CBADHO COCC[N@H+]1CCC[C@@H]1CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924576988 658614899 /nfs/dbraw/zinc/61/48/99/658614899.db2.gz CVENZYLKGYKUHK-VXGBXAGGSA-N 1 3 298.387 -0.421 20 0 CBADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990493 658701147 /nfs/dbraw/zinc/70/11/47/658701147.db2.gz GVTKARSVFGUOBK-DYEKYZERSA-N 1 3 285.388 -0.986 20 0 CBADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990493 658701180 /nfs/dbraw/zinc/70/11/80/658701180.db2.gz GVTKARSVFGUOBK-DYEKYZERSA-N 1 3 285.388 -0.986 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961768535 658833852 /nfs/dbraw/zinc/83/38/52/658833852.db2.gz BXSVBKPMYRDOLG-NMKXLXIOSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961768535 658833856 /nfs/dbraw/zinc/83/38/56/658833856.db2.gz BXSVBKPMYRDOLG-NMKXLXIOSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@H](O)CN2C)CC[N@@H+]1C ZINC000925357661 658835454 /nfs/dbraw/zinc/83/54/54/658835454.db2.gz WYNRNWIAUNISPY-NOOOWODRSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@H](O)CN2C)CC[N@H+]1C ZINC000925357661 658835456 /nfs/dbraw/zinc/83/54/56/658835456.db2.gz WYNRNWIAUNISPY-NOOOWODRSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000925425205 658847438 /nfs/dbraw/zinc/84/74/38/658847438.db2.gz NEQALLRGFIFAFE-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000925425205 658847439 /nfs/dbraw/zinc/84/74/39/658847439.db2.gz NEQALLRGFIFAFE-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCN2C)CC[N@H+](C)C1 ZINC000925432461 658850803 /nfs/dbraw/zinc/85/08/03/658850803.db2.gz SPLAIBYBIIFOQA-VXGBXAGGSA-N 1 3 298.387 -0.563 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCN2C)CC[N@@H+](C)C1 ZINC000925432461 658850810 /nfs/dbraw/zinc/85/08/10/658850810.db2.gz SPLAIBYBIIFOQA-VXGBXAGGSA-N 1 3 298.387 -0.563 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCN2C)CC[N@H+](C)C1 ZINC000925432457 658851523 /nfs/dbraw/zinc/85/15/23/658851523.db2.gz SPLAIBYBIIFOQA-NEPJUHHUSA-N 1 3 298.387 -0.563 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCN2C)CC[N@@H+](C)C1 ZINC000925432457 658851524 /nfs/dbraw/zinc/85/15/24/658851524.db2.gz SPLAIBYBIIFOQA-NEPJUHHUSA-N 1 3 298.387 -0.563 20 0 CBADHO CC(C)[C@@H](CN[C@H]1C[NH2+]CCOC1)N1CCN(C)CC1 ZINC000925605486 658862539 /nfs/dbraw/zinc/86/25/39/658862539.db2.gz GPSMMIDFLMCSJN-LSDHHAIUSA-N 1 3 284.448 -0.164 20 0 CBADHO CC1(C)[C@@H](NCC(=O)N2CCNCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690705 658865928 /nfs/dbraw/zinc/86/59/28/658865928.db2.gz KUKMJTXBENRQJC-XBFCOCLRSA-N 1 3 280.416 -0.216 20 0 CBADHO [NH3+][C@H]1C[C@@H](NCC(=O)N2CCNCC2)C12CCC2 ZINC000925693775 658865946 /nfs/dbraw/zinc/86/59/46/658865946.db2.gz RQQKDUFNBIIJEM-WDEREUQCSA-N 1 3 252.362 -0.722 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000925715226 658866663 /nfs/dbraw/zinc/86/66/63/658866663.db2.gz AYXRANZOMUSCGA-WPRPVWTQSA-N 1 3 251.334 -0.129 20 0 CBADHO CC(C)(O)CN1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925724670 658867823 /nfs/dbraw/zinc/86/78/23/658867823.db2.gz LMTMDNYEAJJBNJ-RYUDHWBXSA-N 1 3 257.378 -0.590 20 0 CBADHO CCS(=O)(=O)C[C@@H](C)NCCN1CCC([NH3+])CC1 ZINC000925814739 658872885 /nfs/dbraw/zinc/87/28/85/658872885.db2.gz LRUAMROBRZTNQN-LLVKDONJSA-N 1 3 277.434 -0.178 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926295078 658891346 /nfs/dbraw/zinc/89/13/46/658891346.db2.gz YOBHYPCNJNFGPN-NWDGAFQWSA-N 1 3 284.404 -0.550 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000926335108 658893357 /nfs/dbraw/zinc/89/33/57/658893357.db2.gz PVSWWGCJFRTEQX-STQMWFEESA-N 1 3 294.399 -0.510 20 0 CBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000926650402 658910430 /nfs/dbraw/zinc/91/04/30/658910430.db2.gz NXYNGJUDAFMBSR-DAAZQVBGSA-N 1 3 287.429 -0.050 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969954164 659025202 /nfs/dbraw/zinc/02/52/02/659025202.db2.gz ANMTZCPELHPEKJ-WDEREUQCSA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969954164 659025207 /nfs/dbraw/zinc/02/52/07/659025207.db2.gz ANMTZCPELHPEKJ-WDEREUQCSA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969950443 659025393 /nfs/dbraw/zinc/02/53/93/659025393.db2.gz IEAUDZSGOPOCLK-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969950443 659025399 /nfs/dbraw/zinc/02/53/99/659025399.db2.gz IEAUDZSGOPOCLK-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN1C ZINC000928559534 659041796 /nfs/dbraw/zinc/04/17/96/659041796.db2.gz ZLKKVGGVMKSWBY-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO CCN1CCN(CC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928562492 659047183 /nfs/dbraw/zinc/04/71/83/659047183.db2.gz GRGVPSVQYWBHDK-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO CCN1CCN(CC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928562492 659047191 /nfs/dbraw/zinc/04/71/91/659047191.db2.gz GRGVPSVQYWBHDK-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO C[C@H](O)[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930136963 659217365 /nfs/dbraw/zinc/21/73/65/659217365.db2.gz PXFASIQTHJUFAS-LXTVHRRPSA-N 1 3 285.432 -0.314 20 0 CBADHO CN(CC(N)=O)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985470906 659386824 /nfs/dbraw/zinc/38/68/24/659386824.db2.gz QXMRENXGVLWRDR-AWEZNQCLSA-N 1 3 296.415 -0.265 20 0 CBADHO CN(CC(N)=O)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985470915 659386895 /nfs/dbraw/zinc/38/68/95/659386895.db2.gz QXMRENXGVLWRDR-CQSZACIVSA-N 1 3 296.415 -0.265 20 0 CBADHO CN(CC(N)=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615113 659392629 /nfs/dbraw/zinc/39/26/29/659392629.db2.gz USPLQQKXIRRRIV-UHFFFAOYSA-N 1 3 296.415 -0.264 20 0 CBADHO CN(CC(N)=O)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985755220 659396886 /nfs/dbraw/zinc/39/68/86/659396886.db2.gz GFQYVEPXCJIBFJ-UHFFFAOYSA-N 1 3 294.399 -0.510 20 0 CBADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985794198 659399817 /nfs/dbraw/zinc/39/98/17/659399817.db2.gz ZROWHIOJNKJPAK-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985794198 659399823 /nfs/dbraw/zinc/39/98/23/659399823.db2.gz ZROWHIOJNKJPAK-NWDGAFQWSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829795 659484258 /nfs/dbraw/zinc/48/42/58/659484258.db2.gz SMJGSYGLXNNTIU-CMPLNLGQSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986959301 659485262 /nfs/dbraw/zinc/48/52/62/659485262.db2.gz PBSNYPYSXSMDIV-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC000987251240 659500187 /nfs/dbraw/zinc/50/01/87/659500187.db2.gz ARZILCSCNRBRPO-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355474 659503022 /nfs/dbraw/zinc/50/30/22/659503022.db2.gz GPAHVJAZDKBYKG-MNOVXSKESA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390103 659583689 /nfs/dbraw/zinc/58/36/89/659583689.db2.gz MSSQTFXUFZVAOR-PWSUYJOCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1c[nH]cn1 ZINC000989492223 659590055 /nfs/dbraw/zinc/59/00/55/659590055.db2.gz LOJFREMSAATCSX-GXSJLCMTSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CN1CCC(C)CC1 ZINC000989606811 659602264 /nfs/dbraw/zinc/60/22/64/659602264.db2.gz VJMXMTYWPFRSQM-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989661020 659605256 /nfs/dbraw/zinc/60/52/56/659605256.db2.gz FNLXIHSVAFQPJY-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661020 659605263 /nfs/dbraw/zinc/60/52/63/659605263.db2.gz FNLXIHSVAFQPJY-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC000990245397 659705207 /nfs/dbraw/zinc/70/52/07/659705207.db2.gz WLHVBFNCOXCBPG-JQWIXIFHSA-N 1 3 282.388 -0.465 20 0 CBADHO CN1C[C@@H]2C[N@H+](CCc3nnnn3C)C[C@]2(C)C1 ZINC000933734178 659735343 /nfs/dbraw/zinc/73/53/43/659735343.db2.gz NIXOMLNVHGVEOK-PWSUYJOCSA-N 1 3 250.350 -0.364 20 0 CBADHO CN1C[C@@H]2C[N@@H+](CCc3nnnn3C)C[C@]2(C)C1 ZINC000933734178 659735346 /nfs/dbraw/zinc/73/53/46/659735346.db2.gz NIXOMLNVHGVEOK-PWSUYJOCSA-N 1 3 250.350 -0.364 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCO ZINC000939209591 659884256 /nfs/dbraw/zinc/88/42/56/659884256.db2.gz HVGNJKZJNIXPKL-GXSJLCMTSA-N 1 3 252.318 -0.619 20 0 CBADHO CCN1CCN(CCC(=O)N2CCC([NH3+])CC2)CC1 ZINC000032048548 790320321 /nfs/dbraw/zinc/32/03/21/790320321.db2.gz KGOCYMRDOQBZSS-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000339762044 790489581 /nfs/dbraw/zinc/48/95/81/790489581.db2.gz WYCQZFRCVKNNDW-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO [NH3+]C[C@@H]1CCCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000382181653 790523630 /nfs/dbraw/zinc/52/36/30/790523630.db2.gz UCOLQCYBYNPGSS-KBPBESRZSA-N 1 3 271.405 -0.260 20 0 CBADHO [NH3+]C[C@H]1CCCCN(C[C@H](O)CN2CCOCC2)C1 ZINC000382181659 790523782 /nfs/dbraw/zinc/52/37/82/790523782.db2.gz UCOLQCYBYNPGSS-ZIAGYGMSSA-N 1 3 271.405 -0.260 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]C1 ZINC000387009190 790551868 /nfs/dbraw/zinc/55/18/68/790551868.db2.gz XTWPGUNWOFBBKU-NFAWXSAZSA-N 1 3 297.399 -0.408 20 0 CBADHO CNC(=O)CN1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396552779 790582976 /nfs/dbraw/zinc/58/29/76/790582976.db2.gz PMBVDKPFCFQZMO-DGCLKSJQSA-N 1 3 268.405 -0.073 20 0 CBADHO CC(C)[NH+](CCNS(=O)(=O)C1CNC1)C(C)C ZINC000405099237 790612780 /nfs/dbraw/zinc/61/27/80/790612780.db2.gz LIWLVWKFDMRZEL-UHFFFAOYSA-N 1 3 263.407 -0.004 20 0 CBADHO C[NH+](C)C1(CNS(=O)(=O)C2CNC2)CCCC1 ZINC000405099986 790612857 /nfs/dbraw/zinc/61/28/57/790612857.db2.gz LYHCCWOIYXOMSW-UHFFFAOYSA-N 1 3 261.391 -0.248 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000405163642 790616776 /nfs/dbraw/zinc/61/67/76/790616776.db2.gz ZYZSPHHFQORBLW-CMPLNLGQSA-N 1 3 273.402 -0.296 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000405163642 790616782 /nfs/dbraw/zinc/61/67/82/790616782.db2.gz ZYZSPHHFQORBLW-CMPLNLGQSA-N 1 3 273.402 -0.296 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000693575444 790682428 /nfs/dbraw/zinc/68/24/28/790682428.db2.gz VXHVRVIMJTWQQZ-KKOKHZNYSA-N 1 3 253.346 -0.297 20 0 CBADHO C[NH+](C)CC1(O)CCN(CCn2cncn2)CC1 ZINC000710562278 790740609 /nfs/dbraw/zinc/74/06/09/790740609.db2.gz NVYQTOIMKGIVTQ-UHFFFAOYSA-N 1 3 253.350 -0.333 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)NCCO)CC1 ZINC000721044534 790776847 /nfs/dbraw/zinc/77/68/47/790776847.db2.gz ARCPRAGZNVJCCM-YPMHNXCESA-N 1 3 269.389 -0.338 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCNC[C@H](O)CN1CCOCC1 ZINC000822126682 790833193 /nfs/dbraw/zinc/83/31/93/790833193.db2.gz BLOITLFBFHAINX-KBPBESRZSA-N 1 3 271.405 -0.247 20 0 CBADHO C[N@H+]1CCC[C@H]1CCNC[C@H](O)CN1CCOCC1 ZINC000822126682 790833207 /nfs/dbraw/zinc/83/32/07/790833207.db2.gz BLOITLFBFHAINX-KBPBESRZSA-N 1 3 271.405 -0.247 20 0 CBADHO Cn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001021895242 790965314 /nfs/dbraw/zinc/96/53/14/790965314.db2.gz JOBLXINGKZYVOS-NTZNESFSSA-N 1 3 292.387 -0.354 20 0 CBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022119747 790992361 /nfs/dbraw/zinc/99/23/61/790992361.db2.gz HQMVDZHXBSNZFF-QNWHQSFQSA-N 1 3 283.372 -0.921 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022712759 791040229 /nfs/dbraw/zinc/04/02/29/791040229.db2.gz ZDWGBZMWXGMFFY-NDBYEHHHSA-N 1 3 294.399 -0.404 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077024662 805672643 /nfs/dbraw/zinc/67/26/43/805672643.db2.gz JZENJJJLFGOBMH-FDYHWXHSSA-N 1 3 269.389 -0.104 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077024662 805672649 /nfs/dbraw/zinc/67/26/49/805672649.db2.gz JZENJJJLFGOBMH-FDYHWXHSSA-N 1 3 269.389 -0.104 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077004259 805671191 /nfs/dbraw/zinc/67/11/91/805671191.db2.gz WCUYXAPYEKDIJA-BFHYXJOUSA-N 1 3 281.400 -0.102 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147886279 814924812 /nfs/dbraw/zinc/92/48/12/814924812.db2.gz SWTYZGBPYVCUQR-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147886279 814924817 /nfs/dbraw/zinc/92/48/17/814924817.db2.gz SWTYZGBPYVCUQR-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078008572 805823980 /nfs/dbraw/zinc/82/39/80/805823980.db2.gz LLHOPEBMLKXWAO-JHJVBQTASA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078008572 805823988 /nfs/dbraw/zinc/82/39/88/805823988.db2.gz LLHOPEBMLKXWAO-JHJVBQTASA-N 1 3 269.389 -0.102 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001078006190 805821580 /nfs/dbraw/zinc/82/15/80/805821580.db2.gz VINQNQMYVNGBEV-MGPQQGTHSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001078006190 805821588 /nfs/dbraw/zinc/82/15/88/805821588.db2.gz VINQNQMYVNGBEV-MGPQQGTHSA-N 1 3 281.400 -0.101 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011912 805822066 /nfs/dbraw/zinc/82/20/66/805822066.db2.gz NIVYKGSTEPOWMS-VXGBXAGGSA-N 1 3 267.373 -0.348 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175749 805850222 /nfs/dbraw/zinc/85/02/22/805850222.db2.gz KXHDXVNQUDJTDB-IJLUTSLNSA-N 1 3 255.362 -0.491 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175749 805850230 /nfs/dbraw/zinc/85/02/30/805850230.db2.gz KXHDXVNQUDJTDB-IJLUTSLNSA-N 1 3 255.362 -0.491 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175740 805849744 /nfs/dbraw/zinc/84/97/44/805849744.db2.gz KPIVKABHVBTLOZ-IJLUTSLNSA-N 1 3 255.362 -0.492 20 0 CBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175740 805849754 /nfs/dbraw/zinc/84/97/54/805849754.db2.gz KPIVKABHVBTLOZ-IJLUTSLNSA-N 1 3 255.362 -0.492 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900522 814925948 /nfs/dbraw/zinc/92/59/48/814925948.db2.gz PEKQVJXFWRVJEC-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900522 814925954 /nfs/dbraw/zinc/92/59/54/814925954.db2.gz PEKQVJXFWRVJEC-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147994533 814927329 /nfs/dbraw/zinc/92/73/29/814927329.db2.gz ITRGNFOTBHUQCR-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976917 814927564 /nfs/dbraw/zinc/92/75/64/814927564.db2.gz FKZBDNLJYZISFB-UHFFFAOYSA-N 1 3 296.415 -0.296 20 0 CBADHO CC(C)(C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970585 814927711 /nfs/dbraw/zinc/92/77/11/814927711.db2.gz LXXQEWNHBLKEBT-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NCC1CC1 ZINC001147971227 814927770 /nfs/dbraw/zinc/92/77/70/814927770.db2.gz WYCSDAVJCHHAGD-UHFFFAOYSA-N 1 3 294.399 -0.686 20 0 CBADHO CCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466152 806336905 /nfs/dbraw/zinc/33/69/05/806336905.db2.gz IHPDKUGLHVIEOJ-MCIONIFRSA-N 1 3 281.400 -0.101 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750008 806421662 /nfs/dbraw/zinc/42/16/62/806421662.db2.gz BDZNIJDDQFBXIO-OLZOCXBDSA-N 1 3 269.389 -0.102 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001084053568 806480673 /nfs/dbraw/zinc/48/06/73/806480673.db2.gz CBRCKVONMKBQGQ-MJBXVCDLSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001084053568 806480677 /nfs/dbraw/zinc/48/06/77/806480677.db2.gz CBRCKVONMKBQGQ-MJBXVCDLSA-N 1 3 281.400 -0.101 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001084091541 806488980 /nfs/dbraw/zinc/48/89/80/806488980.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001084091541 806488985 /nfs/dbraw/zinc/48/89/85/806488985.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084091541 806488989 /nfs/dbraw/zinc/48/89/89/806488989.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084091541 806488994 /nfs/dbraw/zinc/48/89/94/806488994.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001084091542 806489299 /nfs/dbraw/zinc/48/92/99/806489299.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001084091542 806489302 /nfs/dbraw/zinc/48/93/02/806489302.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084091542 806489309 /nfs/dbraw/zinc/48/93/09/806489309.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084091542 806489313 /nfs/dbraw/zinc/48/93/13/806489313.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023131010 798885844 /nfs/dbraw/zinc/88/58/44/798885844.db2.gz SUAAEHKRKUYAQA-GRYCIOLGSA-N 1 3 282.388 -0.417 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781594 798975107 /nfs/dbraw/zinc/97/51/07/798975107.db2.gz KUQQYRNMEUMMPU-ZSAUSMIDSA-N 1 3 293.411 -0.101 20 0 CBADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781594 798975111 /nfs/dbraw/zinc/97/51/11/798975111.db2.gz KUQQYRNMEUMMPU-ZSAUSMIDSA-N 1 3 293.411 -0.101 20 0 CBADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001026043505 798987221 /nfs/dbraw/zinc/98/72/21/798987221.db2.gz FXQFLAHNZDWFFF-NTASLKFISA-N 1 3 281.400 -0.245 20 0 CBADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001026043505 798987229 /nfs/dbraw/zinc/98/72/29/798987229.db2.gz FXQFLAHNZDWFFF-NTASLKFISA-N 1 3 281.400 -0.245 20 0 CBADHO NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12 ZINC001026365980 799001038 /nfs/dbraw/zinc/00/10/38/799001038.db2.gz DSDHBMJIRSDDAS-ADEWGFFLSA-N 1 3 291.355 -0.736 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027091953 799030638 /nfs/dbraw/zinc/03/06/38/799030638.db2.gz XBRYKAMHVBWSGF-PWSUYJOCSA-N 1 3 291.355 -0.721 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001030020133 799211063 /nfs/dbraw/zinc/21/10/63/799211063.db2.gz ZVMHWDAPSPBQDS-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001030020132 799211480 /nfs/dbraw/zinc/21/14/80/799211480.db2.gz ZVMHWDAPSPBQDS-RWMBFGLXSA-N 1 3 294.399 -0.450 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001030019447 799211800 /nfs/dbraw/zinc/21/18/00/799211800.db2.gz FKHMPERYHUUPLC-GRYCIOLGSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2CN(CCCO)C2)CC[N@@H+]1C ZINC001031681283 799532286 /nfs/dbraw/zinc/53/22/86/799532286.db2.gz LQHZHASFYORFIL-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCC2CN(CCCO)C2)CC[N@H+]1C ZINC001031681283 799532288 /nfs/dbraw/zinc/53/22/88/799532288.db2.gz LQHZHASFYORFIL-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031977169 799567756 /nfs/dbraw/zinc/56/77/56/799567756.db2.gz XSYBWLUACGOJAI-DGCLKSJQSA-N 1 3 269.389 -0.386 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031977169 799567758 /nfs/dbraw/zinc/56/77/58/799567758.db2.gz XSYBWLUACGOJAI-DGCLKSJQSA-N 1 3 269.389 -0.386 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033595740 799770261 /nfs/dbraw/zinc/77/02/61/799770261.db2.gz UWFVGKSDVNHVIM-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033595740 799770265 /nfs/dbraw/zinc/77/02/65/799770265.db2.gz UWFVGKSDVNHVIM-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001034971882 799863384 /nfs/dbraw/zinc/86/33/84/799863384.db2.gz XVPLHOFMRATVDP-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036054480 799975188 /nfs/dbraw/zinc/97/51/88/799975188.db2.gz KUOUTRNZUHQEPI-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036054478 799975397 /nfs/dbraw/zinc/97/53/97/799975397.db2.gz KUOUTRNZUHQEPI-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203859 799982431 /nfs/dbraw/zinc/98/24/31/799982431.db2.gz HPHFPEOEFDKGCG-KOLCDFICSA-N 1 3 279.344 -0.736 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCO ZINC001036194855 799982908 /nfs/dbraw/zinc/98/29/08/799982908.db2.gz SICKTCAPXPONIB-PWSUYJOCSA-N 1 3 266.345 -0.229 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047383749 801857858 /nfs/dbraw/zinc/85/78/58/801857858.db2.gz ORPZMHDABRUMRM-IHRRRGAJSA-N 1 3 281.400 -0.148 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384843 801859330 /nfs/dbraw/zinc/85/93/30/801859330.db2.gz JUAIHESFXAECEY-NDBYEHHHSA-N 1 3 269.389 -0.150 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384843 801859337 /nfs/dbraw/zinc/85/93/37/801859337.db2.gz JUAIHESFXAECEY-NDBYEHHHSA-N 1 3 269.389 -0.150 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047597809 801908573 /nfs/dbraw/zinc/90/85/73/801908573.db2.gz GIFNQGVBPAILRV-AVGNSLFASA-N 1 3 269.389 -0.148 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047597809 801908578 /nfs/dbraw/zinc/90/85/78/801908578.db2.gz GIFNQGVBPAILRV-AVGNSLFASA-N 1 3 269.389 -0.148 20 0 CBADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047628606 801915646 /nfs/dbraw/zinc/91/56/46/801915646.db2.gz HLKRSKWHXASOPW-AVGNSLFASA-N 1 3 269.389 -0.148 20 0 CBADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047628606 801915653 /nfs/dbraw/zinc/91/56/53/801915653.db2.gz HLKRSKWHXASOPW-AVGNSLFASA-N 1 3 269.389 -0.148 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001054296514 802330098 /nfs/dbraw/zinc/33/00/98/802330098.db2.gz YZCCFHXONFNJEC-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(N)=O ZINC001054853315 802375667 /nfs/dbraw/zinc/37/56/67/802375667.db2.gz FZOLIVDNKOLGLW-RYUDHWBXSA-N 1 3 294.399 -0.463 20 0 CBADHO NC(=O)CC[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001119683161 812866136 /nfs/dbraw/zinc/86/61/36/812866136.db2.gz ZHDPIWYIQGKGIX-BJDJZHNGSA-N 1 3 255.362 -0.186 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122101009 813117600 /nfs/dbraw/zinc/11/76/00/813117600.db2.gz UXPWGYWYTIVYIT-NEPJUHHUSA-N 1 3 254.378 -0.380 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328161 813837717 /nfs/dbraw/zinc/83/77/17/813837717.db2.gz MFXDGONJKPNDBG-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328161 813837729 /nfs/dbraw/zinc/83/77/29/813837729.db2.gz MFXDGONJKPNDBG-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001129341808 813838286 /nfs/dbraw/zinc/83/82/86/813838286.db2.gz ZQMUBAHYZPVPAB-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001129341808 813838297 /nfs/dbraw/zinc/83/82/97/813838297.db2.gz ZQMUBAHYZPVPAB-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO CCC(CC)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290830 814237347 /nfs/dbraw/zinc/23/73/47/814237347.db2.gz FDBWTMIJIOBIHM-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294419 814238278 /nfs/dbraw/zinc/23/82/78/814238278.db2.gz IEMJZGCHSZGSOQ-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCC(C)(C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294529 814238479 /nfs/dbraw/zinc/23/84/79/814238479.db2.gz MIGMZIJHIKGANN-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360402 814939542 /nfs/dbraw/zinc/93/95/42/814939542.db2.gz SOEUCIFKWNOHIZ-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365215 814941463 /nfs/dbraw/zinc/94/14/63/814941463.db2.gz LEJVBRGDUKZBJT-NSHDSACASA-N 1 3 272.393 -0.441 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001148360649 814941931 /nfs/dbraw/zinc/94/19/31/814941931.db2.gz ZECZHNLUWBMVRH-LLVKDONJSA-N 1 3 298.387 -0.771 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001148638823 814953952 /nfs/dbraw/zinc/95/39/52/814953952.db2.gz TXQNVUYEUBRIOJ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001148655007 814956448 /nfs/dbraw/zinc/95/64/48/814956448.db2.gz FFXNAWQKFMSUOH-ZDUSSCGKSA-N 1 3 297.403 -0.708 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322442570 803897310 /nfs/dbraw/zinc/89/73/10/803897310.db2.gz MTLSZTNUMYDXLW-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322684847 803928362 /nfs/dbraw/zinc/92/83/62/803928362.db2.gz CPWHOLGESAYNNF-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241555 815022121 /nfs/dbraw/zinc/02/21/21/815022121.db2.gz PXVKVFPSFYTLQK-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001151048667 815051411 /nfs/dbraw/zinc/05/14/11/815051411.db2.gz CXBYADWRLLLXSQ-GFCCVEGCSA-N 1 3 282.388 -0.830 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001151048667 815051417 /nfs/dbraw/zinc/05/14/17/815051417.db2.gz CXBYADWRLLLXSQ-GFCCVEGCSA-N 1 3 282.388 -0.830 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001151048617 815052985 /nfs/dbraw/zinc/05/29/85/815052985.db2.gz CSLOBMBYXJCUMT-ZDUSSCGKSA-N 1 3 296.415 -0.440 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001151048617 815052990 /nfs/dbraw/zinc/05/29/90/815052990.db2.gz CSLOBMBYXJCUMT-ZDUSSCGKSA-N 1 3 296.415 -0.440 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151055993 815054037 /nfs/dbraw/zinc/05/40/37/815054037.db2.gz JTBPRGYJUWFOCC-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151055993 815054040 /nfs/dbraw/zinc/05/40/40/815054040.db2.gz JTBPRGYJUWFOCC-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064979 815054214 /nfs/dbraw/zinc/05/42/14/815054214.db2.gz GLDGPJIOPKRQGB-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064979 815054221 /nfs/dbraw/zinc/05/42/21/815054221.db2.gz GLDGPJIOPKRQGB-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049710 815055625 /nfs/dbraw/zinc/05/56/25/815055625.db2.gz WXLYHQSEVWUSPP-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049710 815055632 /nfs/dbraw/zinc/05/56/32/815055632.db2.gz WXLYHQSEVWUSPP-LLVKDONJSA-N 1 3 270.377 -0.878 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073058 815056244 /nfs/dbraw/zinc/05/62/44/815056244.db2.gz FLOXZFMYCDHRLO-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073058 815056249 /nfs/dbraw/zinc/05/62/49/815056249.db2.gz FLOXZFMYCDHRLO-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065648 815056684 /nfs/dbraw/zinc/05/66/84/815056684.db2.gz LUVMBIZMXCWEGO-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065648 815056691 /nfs/dbraw/zinc/05/66/91/815056691.db2.gz LUVMBIZMXCWEGO-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065647 815057327 /nfs/dbraw/zinc/05/73/27/815057327.db2.gz LUVMBIZMXCWEGO-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065647 815057333 /nfs/dbraw/zinc/05/73/33/815057333.db2.gz LUVMBIZMXCWEGO-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001151065929 815057431 /nfs/dbraw/zinc/05/74/31/815057431.db2.gz OFZVZUYNVAFATN-LBPRGKRZSA-N 1 3 298.431 -0.194 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001151065929 815057437 /nfs/dbraw/zinc/05/74/37/815057437.db2.gz OFZVZUYNVAFATN-LBPRGKRZSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073458 815057615 /nfs/dbraw/zinc/05/76/15/815057615.db2.gz LPLDORUUFRXPHB-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073458 815057621 /nfs/dbraw/zinc/05/76/21/815057621.db2.gz LPLDORUUFRXPHB-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074064 815058633 /nfs/dbraw/zinc/05/86/33/815058633.db2.gz UPBDTOKNANHQHB-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074064 815058637 /nfs/dbraw/zinc/05/86/37/815058637.db2.gz UPBDTOKNANHQHB-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCO)C2)N(C)C ZINC001072989673 805353404 /nfs/dbraw/zinc/35/34/04/805353404.db2.gz LULPSSQHSNTHMR-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)N(C)C ZINC001072989673 805353411 /nfs/dbraw/zinc/35/34/11/805353411.db2.gz LULPSSQHSNTHMR-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO NC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361516 815072925 /nfs/dbraw/zinc/07/29/25/815072925.db2.gz KHRAPSNMTRCFKT-UHFFFAOYSA-N 1 3 270.377 -0.556 20 0 CBADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890999 805421072 /nfs/dbraw/zinc/42/10/72/805421072.db2.gz KONUZPITDFCUSK-ZIAGYGMSSA-N 1 3 299.415 -0.208 20 0 CBADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890999 805421080 /nfs/dbraw/zinc/42/10/80/805421080.db2.gz KONUZPITDFCUSK-ZIAGYGMSSA-N 1 3 299.415 -0.208 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001074661859 805464265 /nfs/dbraw/zinc/46/42/65/805464265.db2.gz OREARHONMBKIIT-KXNHARMFSA-N 1 3 282.388 -0.609 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001074661859 805464268 /nfs/dbraw/zinc/46/42/68/805464268.db2.gz OREARHONMBKIIT-KXNHARMFSA-N 1 3 282.388 -0.609 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832478 805474635 /nfs/dbraw/zinc/47/46/35/805474635.db2.gz SMFHXRAAVHXYTA-CYDGBPFRSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832478 805474636 /nfs/dbraw/zinc/47/46/36/805474636.db2.gz SMFHXRAAVHXYTA-CYDGBPFRSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074877477 805475810 /nfs/dbraw/zinc/47/58/10/805475810.db2.gz CDPRDGGMUKKALH-SRVKXCTJSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074877477 805475817 /nfs/dbraw/zinc/47/58/17/805475817.db2.gz CDPRDGGMUKKALH-SRVKXCTJSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074877477 805475822 /nfs/dbraw/zinc/47/58/22/805475822.db2.gz CDPRDGGMUKKALH-SRVKXCTJSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(N)=O ZINC001152149648 815107883 /nfs/dbraw/zinc/10/78/83/815107883.db2.gz ZZWPMKMVFSUSEK-NXEZZACHSA-N 1 3 256.350 -0.950 20 0 CBADHO O=C(CC[NH+]1CCCCC1)NCCN[C@@H]1CCNC1=O ZINC001152339832 815116375 /nfs/dbraw/zinc/11/63/75/815116375.db2.gz CHOWPHVLPPMTDR-GFCCVEGCSA-N 1 3 282.388 -0.543 20 0 CBADHO C[C@@H](NCCNC(=O)c1ccccc1C[NH+](C)C)C(N)=O ZINC001152384647 815118800 /nfs/dbraw/zinc/11/88/00/815118800.db2.gz VVXWOWDAKNAZQE-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001152433264 815121553 /nfs/dbraw/zinc/12/15/53/815121553.db2.gz ZYUGQSYHYIOSGY-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001152452045 815122328 /nfs/dbraw/zinc/12/23/28/815122328.db2.gz QUZQOYLQATYMJR-CHWSQXEVSA-N 1 3 287.404 -0.426 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001152458615 815124161 /nfs/dbraw/zinc/12/41/61/815124161.db2.gz RRLNPLALJRSKPJ-GFCCVEGCSA-N 1 3 257.378 -0.051 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480592 815124424 /nfs/dbraw/zinc/12/44/24/815124424.db2.gz XMXVZTKZUICBIC-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc2ccnn2c1 ZINC001153059148 815147618 /nfs/dbraw/zinc/14/76/18/815147618.db2.gz URXUDVFVLZLUHA-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO O=C(CCCC[NH+]1CCCC1)NCCN[C@@H]1CCNC1=O ZINC001153314275 815157082 /nfs/dbraw/zinc/15/70/82/815157082.db2.gz HHYHZLUYQXSOLV-CYBMUJFWSA-N 1 3 296.415 -0.153 20 0 CBADHO c1c(NC[C@]23C[NH2+]C[C@H]2COC3)nnc2c1CNCC2 ZINC001155515849 815290020 /nfs/dbraw/zinc/29/00/20/815290020.db2.gz LMWXSPZTOSAZOW-FZMZJTMJSA-N 1 3 275.356 -0.230 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155789161 815310889 /nfs/dbraw/zinc/31/08/89/815310889.db2.gz ABKANVHLMBUBCS-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155789160 815310909 /nfs/dbraw/zinc/31/09/09/815310909.db2.gz ABKANVHLMBUBCS-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCO ZINC001088571773 810346178 /nfs/dbraw/zinc/34/61/78/810346178.db2.gz MXPSQTVORMSBBP-BNOWGMLFSA-N 1 3 281.400 -0.101 20 0 CBADHO CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536204 810517916 /nfs/dbraw/zinc/51/79/16/810517916.db2.gz BXXKSCOECGDUOO-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730389 810560244 /nfs/dbraw/zinc/56/02/44/810560244.db2.gz KZNOTAKISODJGK-CHWSQXEVSA-N 1 3 297.399 -0.720 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874184 810960470 /nfs/dbraw/zinc/96/04/70/810960470.db2.gz HIJMWXJTNWCECQ-CHWSQXEVSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001099874184 810960474 /nfs/dbraw/zinc/96/04/74/810960474.db2.gz HIJMWXJTNWCECQ-CHWSQXEVSA-N 1 3 299.415 -0.596 20 0 CBADHO COCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986397 810983550 /nfs/dbraw/zinc/98/35/50/810983550.db2.gz KFSMIAXDZWUFQU-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO COCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986398 810983894 /nfs/dbraw/zinc/98/38/94/810983894.db2.gz KFSMIAXDZWUFQU-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001099986544 810985470 /nfs/dbraw/zinc/98/54/70/810985470.db2.gz MIASNROBTANLOA-NEPJUHHUSA-N 1 3 275.368 -0.151 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001099986545 810986067 /nfs/dbraw/zinc/98/60/67/810986067.db2.gz MIASNROBTANLOA-NWDGAFQWSA-N 1 3 275.368 -0.151 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100041771 811002615 /nfs/dbraw/zinc/00/26/15/811002615.db2.gz NZAGXPXCCKCXSV-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100041771 811002622 /nfs/dbraw/zinc/00/26/22/811002622.db2.gz NZAGXPXCCKCXSV-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100042118 811004279 /nfs/dbraw/zinc/00/42/79/811004279.db2.gz UBATWEDIAYTSGO-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100042118 811004285 /nfs/dbraw/zinc/00/42/85/811004285.db2.gz UBATWEDIAYTSGO-OLZOCXBDSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100067455 811009661 /nfs/dbraw/zinc/00/96/61/811009661.db2.gz RRZZLQOURMOEBX-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100067455 811009669 /nfs/dbraw/zinc/00/96/69/811009669.db2.gz RRZZLQOURMOEBX-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO CCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076526 811013993 /nfs/dbraw/zinc/01/39/93/811013993.db2.gz MQDZTXUPVRSLRD-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100080955 811018417 /nfs/dbraw/zinc/01/84/17/811018417.db2.gz OEQZRSULCYZNJU-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100080955 811018426 /nfs/dbraw/zinc/01/84/26/811018426.db2.gz OEQZRSULCYZNJU-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132556 811024892 /nfs/dbraw/zinc/02/48/92/811024892.db2.gz VQXADHHTRZJLLP-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132556 811024900 /nfs/dbraw/zinc/02/49/00/811024900.db2.gz VQXADHHTRZJLLP-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132555 811025987 /nfs/dbraw/zinc/02/59/87/811025987.db2.gz VQXADHHTRZJLLP-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132555 811025995 /nfs/dbraw/zinc/02/59/95/811025995.db2.gz VQXADHHTRZJLLP-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO CN(CC(=O)NCC1CC([NH2+]CCO)C1)C1CCC1 ZINC001100411647 811055989 /nfs/dbraw/zinc/05/59/89/811055989.db2.gz KNNGZLPWWZVBJK-UHFFFAOYSA-N 1 3 269.389 -0.053 20 0 CBADHO CN(CC(=O)NCC1CC([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001100681369 811070807 /nfs/dbraw/zinc/07/08/07/811070807.db2.gz HANGFAYCPQPMPQ-UHFFFAOYSA-N 1 3 298.431 -0.066 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678339 811071051 /nfs/dbraw/zinc/07/10/51/811071051.db2.gz HQJDWVLEDAJRRV-PNESKVBLSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001101039664 811091047 /nfs/dbraw/zinc/09/10/47/811091047.db2.gz XHQMSXQBVTZUEC-WXRRBKDZSA-N 1 3 296.415 -0.301 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNC[C@@H](F)C1 ZINC001157322963 815423060 /nfs/dbraw/zinc/42/30/60/815423060.db2.gz GMURXKPFPUVNFS-DCAQKATOSA-N 1 3 288.367 -0.706 20 0 CBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398290 811183983 /nfs/dbraw/zinc/18/39/83/811183983.db2.gz LVIHRZHVWDPBMX-VXGBXAGGSA-N 1 3 284.404 -0.502 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103612673 811184490 /nfs/dbraw/zinc/18/44/90/811184490.db2.gz OYQNLPOWNOGQEB-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103612673 811184496 /nfs/dbraw/zinc/18/44/96/811184496.db2.gz OYQNLPOWNOGQEB-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)CN ZINC001157413473 815431999 /nfs/dbraw/zinc/43/19/99/815431999.db2.gz FOKCNEWRMHFAHZ-LBPRGKRZSA-N 1 3 263.345 -0.243 20 0 CBADHO Cc1cc(N(C(=N)N)C(=O)[C@@H](N)CCC[NH3+])n[nH]1 ZINC001157440370 815434181 /nfs/dbraw/zinc/43/41/81/815434181.db2.gz UHRXKJXQOGNVMG-ZETCQYMHSA-N 1 3 253.310 -0.989 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001107040774 811322655 /nfs/dbraw/zinc/32/26/55/811322655.db2.gz MUJFCJYFGVPTKF-JHJVBQTASA-N 1 3 298.431 -0.116 20 0 CBADHO C[NH2+][C@H]1CCCN(CC(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157537918 815443491 /nfs/dbraw/zinc/44/34/91/815443491.db2.gz FCQNVMJPLHRUMH-AXFHLTTASA-N 1 3 258.341 -0.822 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1F ZINC001157539003 815443851 /nfs/dbraw/zinc/44/38/51/815443851.db2.gz WLRDHMOWUFYGLU-RHYQMDGZSA-N 1 3 298.362 -0.763 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C[C@H]1F ZINC001157538652 815444098 /nfs/dbraw/zinc/44/40/98/815444098.db2.gz PYDNVRWLNRHJPW-QIBXXNMASA-N 1 3 259.325 -0.628 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCOCC(F)(F)C1 ZINC001157708536 815455577 /nfs/dbraw/zinc/45/55/77/815455577.db2.gz VCFLHWUVQNUOTG-VIFPVBQESA-N 1 3 275.299 -0.711 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(F)(C2CC2)C1 ZINC001157702641 815454297 /nfs/dbraw/zinc/45/42/97/815454297.db2.gz ARZMZPDZWDLEMJ-SNVBAGLBSA-N 1 3 253.321 -0.244 20 0 CBADHO N[C@H](C(=O)N1CCOCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157708464 815455937 /nfs/dbraw/zinc/45/59/37/815455937.db2.gz QONQTIOTASJPJI-JTQLQIEISA-N 1 3 277.315 -0.193 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157720554 815456373 /nfs/dbraw/zinc/45/63/73/815456373.db2.gz LTPDGVZRPNDOKR-NEPJUHHUSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)C1CC2(C[NH2+]C2)C1 ZINC001157717363 815456761 /nfs/dbraw/zinc/45/67/61/815456761.db2.gz ZVMZDVKHRJUEGK-LLVKDONJSA-N 1 3 253.346 -0.567 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730395 815457764 /nfs/dbraw/zinc/45/77/64/815457764.db2.gz KJWSGAOUFHRHIT-IUCAKERBSA-N 1 3 265.304 -0.329 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730393 815458631 /nfs/dbraw/zinc/45/86/31/815458631.db2.gz KJWSGAOUFHRHIT-BDAKNGLRSA-N 1 3 265.304 -0.329 20 0 CBADHO O=C(N1CCC[C@@](O)(CF)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157781458 815465824 /nfs/dbraw/zinc/46/58/24/815465824.db2.gz PRHMIVICVFQGQP-VHDGCEQUSA-N 1 3 299.390 -0.101 20 0 CBADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cncn1C ZINC001157841104 815470372 /nfs/dbraw/zinc/47/03/72/815470372.db2.gz DZPSGWFAWCHUMX-GVXVVHGQSA-N 1 3 279.388 -0.124 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001114464198 811750427 /nfs/dbraw/zinc/75/04/27/811750427.db2.gz QUYKJGBIMNXFTC-KXNHARMFSA-N 1 3 255.362 -0.635 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001114464198 811750435 /nfs/dbraw/zinc/75/04/35/811750435.db2.gz QUYKJGBIMNXFTC-KXNHARMFSA-N 1 3 255.362 -0.635 20 0 CBADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157854470 815473199 /nfs/dbraw/zinc/47/31/99/815473199.db2.gz FCRRPJPBWFXVAD-UTUOFQBUSA-N 1 3 267.373 -0.585 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856528 815473815 /nfs/dbraw/zinc/47/38/15/815473815.db2.gz VKCZJOGJCZEOOF-GRYCIOLGSA-N 1 3 275.368 -0.023 20 0 CBADHO C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157856964 815474815 /nfs/dbraw/zinc/47/48/15/815474815.db2.gz YEJWMNJNSXPETI-DCAQKATOSA-N 1 3 275.418 -0.375 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCNC(=O)C1 ZINC001157888427 815477076 /nfs/dbraw/zinc/47/70/76/815477076.db2.gz DAWBOBVYQVCTAM-LBPRGKRZSA-N 1 3 284.404 -0.170 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900582 815478049 /nfs/dbraw/zinc/47/80/49/815478049.db2.gz MSXCBOCLTWNQCP-RKDXNWHRSA-N 1 3 265.304 -0.471 20 0 CBADHO C[C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001157901034 815478939 /nfs/dbraw/zinc/47/89/39/815478939.db2.gz VTHRQQNTHMPUMZ-GXTWGEPZSA-N 1 3 281.400 -0.194 20 0 CBADHO C[C@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001157901036 815479534 /nfs/dbraw/zinc/47/95/34/815479534.db2.gz VTHRQQNTHMPUMZ-OCCSQVGLSA-N 1 3 281.400 -0.194 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904086 815480260 /nfs/dbraw/zinc/48/02/60/815480260.db2.gz IXPWLJUEBZMVJQ-FRRDWIJNSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904086 815480262 /nfs/dbraw/zinc/48/02/62/815480262.db2.gz IXPWLJUEBZMVJQ-FRRDWIJNSA-N 1 3 297.399 -0.938 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@](C)(CO)C1 ZINC001157925595 815483284 /nfs/dbraw/zinc/48/32/84/815483284.db2.gz MQBHYDPNLNUZHV-FZMZJTMJSA-N 1 3 281.400 -0.195 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@H](N)CCC[NH3+])no1 ZINC001157983025 815494160 /nfs/dbraw/zinc/49/41/60/815494160.db2.gz LDRNVWKQIMLVHO-SECBINFHSA-N 1 3 255.322 -0.555 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157997448 815496166 /nfs/dbraw/zinc/49/61/66/815496166.db2.gz OLERDBUAUUOCDT-WCQYABFASA-N 1 3 267.373 -0.156 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157997448 815496167 /nfs/dbraw/zinc/49/61/67/815496167.db2.gz OLERDBUAUUOCDT-WCQYABFASA-N 1 3 267.373 -0.156 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001158014400 815498459 /nfs/dbraw/zinc/49/84/59/815498459.db2.gz LEDUTCVKVJOBJI-DCAQKATOSA-N 1 3 287.335 -0.575 20 0 CBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H](N)CCC[NH3+] ZINC001158016679 815499593 /nfs/dbraw/zinc/49/95/93/815499593.db2.gz YWHCTWHDTMDHKZ-NXEZZACHSA-N 1 3 261.366 -0.967 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)no1 ZINC001157982964 815494687 /nfs/dbraw/zinc/49/46/87/815494687.db2.gz IQMTTWOUFXCMLO-BXUZGUMPSA-N 1 3 293.371 -0.422 20 0 CBADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001158082255 815502819 /nfs/dbraw/zinc/50/28/19/815502819.db2.gz MYIWYGHEXLZCME-LBPRGKRZSA-N 1 3 294.399 -0.953 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114750191 812157118 /nfs/dbraw/zinc/15/71/18/812157118.db2.gz CMBHDSYBJUDKGL-CZXHOFHRSA-N 1 3 294.399 -0.737 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001114771767 812159550 /nfs/dbraw/zinc/15/95/50/812159550.db2.gz JNYLEUBSJJJRRT-NHAGDIPZSA-N 1 3 291.399 -0.119 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N(C)C ZINC001114794571 812159917 /nfs/dbraw/zinc/15/99/17/812159917.db2.gz LFTCNGMEDYKADC-MROQNXINSA-N 1 3 269.389 -0.389 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N(C)C ZINC001114794571 812159923 /nfs/dbraw/zinc/15/99/23/812159923.db2.gz LFTCNGMEDYKADC-MROQNXINSA-N 1 3 269.389 -0.389 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161853 815507256 /nfs/dbraw/zinc/50/72/56/815507256.db2.gz RKNJYBZABKNJKI-MJLGCCKJSA-N 1 3 287.429 -0.173 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115001391 812173612 /nfs/dbraw/zinc/17/36/12/812173612.db2.gz XLHFSEDCWDNOLJ-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115001391 812173617 /nfs/dbraw/zinc/17/36/17/812173617.db2.gz XLHFSEDCWDNOLJ-PJXYFTJBSA-N 1 3 255.362 -0.633 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115153169 812181277 /nfs/dbraw/zinc/18/12/77/812181277.db2.gz ZPXKACNNHLGVQX-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115153169 812181280 /nfs/dbraw/zinc/18/12/80/812181280.db2.gz ZPXKACNNHLGVQX-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170405 815509327 /nfs/dbraw/zinc/50/93/27/815509327.db2.gz YJAOKSFHQYICJD-LLVKDONJSA-N 1 3 297.403 -0.493 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319908 815519897 /nfs/dbraw/zinc/51/98/97/815519897.db2.gz PKJGNWUUOQGKFT-BBBLOLIVSA-N 1 3 287.310 -0.712 20 0 CBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001158339370 815521355 /nfs/dbraw/zinc/52/13/55/815521355.db2.gz OWDAVPMAXCBLAG-SNVBAGLBSA-N 1 3 265.361 -0.288 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H]2CCO[C@H]2C1)C1CC[NH2+]CC1 ZINC001158339374 815521485 /nfs/dbraw/zinc/52/14/85/815521485.db2.gz OWGKZLZFSCNTQY-WXHSDQCUSA-N 1 3 267.373 -0.049 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC001118140318 812478195 /nfs/dbraw/zinc/47/81/95/812478195.db2.gz LXUXTIXOWAVYQA-FXQIFTODSA-N 1 3 251.277 -0.457 20 0 CBADHO CC(C)([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001118226331 812500246 /nfs/dbraw/zinc/50/02/46/812500246.db2.gz GULGTPWMMRPULB-SNVBAGLBSA-N 1 3 266.349 -0.362 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001118337356 812534733 /nfs/dbraw/zinc/53/47/33/812534733.db2.gz FBIXOPLJXBJCID-MELADBBJSA-N 1 3 299.415 -0.033 20 0 CBADHO [NH3+]CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118483152 812553920 /nfs/dbraw/zinc/55/39/20/812553920.db2.gz VBYNYANSDNAOCE-LBPRGKRZSA-N 1 3 270.377 -0.112 20 0 CBADHO C[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[NH2+]C1 ZINC001118506022 812562506 /nfs/dbraw/zinc/56/25/06/812562506.db2.gz JOHHHVSLQSJKFG-GFCCVEGCSA-N 1 3 265.317 -0.743 20 0 CBADHO C[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[NH2+]C1 ZINC001118506023 812562767 /nfs/dbraw/zinc/56/27/67/812562767.db2.gz JOHHHVSLQSJKFG-LBPRGKRZSA-N 1 3 265.317 -0.743 20 0 CBADHO CCN(CC[NH3+])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118921104 812663321 /nfs/dbraw/zinc/66/33/21/812663321.db2.gz JUZHRIQZIMIYBH-UHFFFAOYSA-N 1 3 268.321 -0.869 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)c2c(CN)cnn2C)C[NH2+]1 ZINC001119243410 812731524 /nfs/dbraw/zinc/73/15/24/812731524.db2.gz RHLHGABZHKXWDA-SCZZXKLOSA-N 1 3 251.334 -0.251 20 0 CBADHO Cn1ncnc1CNCCCC[NH+]1CCN(C)CC1 ZINC001119285155 812741904 /nfs/dbraw/zinc/74/19/04/812741904.db2.gz STTLYPHMNTVKSS-UHFFFAOYSA-N 1 3 266.393 -0.068 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001119480715 812791718 /nfs/dbraw/zinc/79/17/18/812791718.db2.gz XUBVQSXLAKDVDG-WHOHXGKFSA-N 1 3 268.361 -0.816 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@]23C[C@H]2COC3)C1 ZINC001119544172 812805075 /nfs/dbraw/zinc/80/50/75/812805075.db2.gz GPFFBMJQTSQEKI-GVXVVHGQSA-N 1 3 253.346 -0.438 20 0 CBADHO COC[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])Cc2cn(C)nc21 ZINC001159018292 815555609 /nfs/dbraw/zinc/55/56/09/815555609.db2.gz LEQGZGZFEYJIDL-NWDGAFQWSA-N 1 3 295.387 -0.442 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@H]([NH3+])CC(F)F ZINC001119611524 812833683 /nfs/dbraw/zinc/83/36/83/812833683.db2.gz UUYCTWZDDLCGLU-BDAKNGLRSA-N 1 3 265.304 -0.194 20 0 CBADHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)CCC1(O)CCC1 ZINC001120273860 812946783 /nfs/dbraw/zinc/94/67/83/812946783.db2.gz UDUSGPMFUVRKSD-RYUDHWBXSA-N 1 3 260.378 -0.445 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC001120482324 812972147 /nfs/dbraw/zinc/97/21/47/812972147.db2.gz XVRRAGMUMKIVKT-AWEZNQCLSA-N 1 3 285.432 -0.121 20 0 CBADHO [NH3+]CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120538500 812985409 /nfs/dbraw/zinc/98/54/09/812985409.db2.gz OKXXVWFSTDLVDH-QWRGUYRKSA-N 1 3 256.350 -0.814 20 0 CBADHO CCN1CCC[C@H]1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001120569683 812992537 /nfs/dbraw/zinc/99/25/37/812992537.db2.gz GADPPHFXBFEIFK-GJZGRUSLSA-N 1 3 284.448 -0.331 20 0 CBADHO CN(CC[NH3+])CCNc1ncc2c(n1)CCNC2 ZINC001159432543 815572965 /nfs/dbraw/zinc/57/29/65/815572965.db2.gz YBZKBEFYUOCDMN-UHFFFAOYSA-N 1 3 250.350 -0.575 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001121937517 813092857 /nfs/dbraw/zinc/09/28/57/813092857.db2.gz NFDDPSIZCCQMSL-OPRDCNLKSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001121937514 813092887 /nfs/dbraw/zinc/09/28/87/813092887.db2.gz NFDDPSIZCCQMSL-LPEHRKFASA-N 1 3 257.334 -0.476 20 0 CBADHO O=C(NC[C@H]1CNCCO1)C1(C2CC[NH2+]CC2)CC1 ZINC001121987707 813101259 /nfs/dbraw/zinc/10/12/59/813101259.db2.gz AEFHIXHJABZAIK-GFCCVEGCSA-N 1 3 267.373 -0.129 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001122075778 813113155 /nfs/dbraw/zinc/11/31/55/813113155.db2.gz NPOYAOKCPJUHNK-LLVKDONJSA-N 1 3 252.362 -0.756 20 0 CBADHO C[C@H](Nc1ncnc2c1CCNC2)[C@H]1C[NH2+]CCO1 ZINC001159500198 815577808 /nfs/dbraw/zinc/57/78/08/815577808.db2.gz WLOYBRJUBDLVHG-JOYOIKCWSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@H](Nc1cc2c(nn1)CC[NH2+]C2)[C@@H]1CNCCO1 ZINC001159501681 815578476 /nfs/dbraw/zinc/57/84/76/815578476.db2.gz WYGSLNBEOPWDBS-CABZTGNLSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@H](Nc1cc2c(nn1)CCNC2)[C@@H]1C[NH2+]CCO1 ZINC001159501681 815578480 /nfs/dbraw/zinc/57/84/80/815578480.db2.gz WYGSLNBEOPWDBS-CABZTGNLSA-N 1 3 263.345 -0.089 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001122171157 813127248 /nfs/dbraw/zinc/12/72/48/813127248.db2.gz CXNVLFAELANBAS-LPEHRKFASA-N 1 3 257.334 -0.476 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122182192 813128929 /nfs/dbraw/zinc/12/89/29/813128929.db2.gz UWXAAGDMLMHNTH-RVMXOQNASA-N 1 3 296.415 -0.219 20 0 CBADHO CC[C@H](N)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122195185 813132108 /nfs/dbraw/zinc/13/21/08/813132108.db2.gz DNOOYKRTCXNSCW-ZJUUUORDSA-N 1 3 269.345 -0.475 20 0 CBADHO COCC[C@@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295868 813142068 /nfs/dbraw/zinc/14/20/68/813142068.db2.gz DINFPJRSAOWUQW-LLVKDONJSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C(=O)[C@H](N)CC(F)F)C1(C[NH3+])CCOCC1 ZINC001122354678 813151595 /nfs/dbraw/zinc/15/15/95/813151595.db2.gz DNWUNXQYPUXOLK-MRVPVSSYSA-N 1 3 265.304 -0.065 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001122410386 813161056 /nfs/dbraw/zinc/16/10/56/813161056.db2.gz BOAMSCTWEADHPR-DGCLKSJQSA-N 1 3 253.346 -0.281 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC001122410388 813161277 /nfs/dbraw/zinc/16/12/77/813161277.db2.gz BOAMSCTWEADHPR-WCQYABFASA-N 1 3 253.346 -0.281 20 0 CBADHO CC(C)([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001122442410 813165537 /nfs/dbraw/zinc/16/55/37/813165537.db2.gz OVPKVAOJWCUIJE-QWRGUYRKSA-N 1 3 255.362 -0.219 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]CCOCCO)CCC1 ZINC001159853696 815600440 /nfs/dbraw/zinc/60/04/40/815600440.db2.gz ICDUGZOWJRPJOM-UHFFFAOYSA-N 1 3 287.404 -0.425 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854973 815601384 /nfs/dbraw/zinc/60/13/84/815601384.db2.gz YGHAZBJXZXTXPL-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]CCn2cncn2)CCC1 ZINC001159861424 815601543 /nfs/dbraw/zinc/60/15/43/815601543.db2.gz PELGCKZXOXOSSK-UHFFFAOYSA-N 1 3 294.403 -0.142 20 0 CBADHO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124867095 813489588 /nfs/dbraw/zinc/48/95/88/813489588.db2.gz RUGUWZLTCQPBSR-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001127065664 813709650 /nfs/dbraw/zinc/70/96/50/813709650.db2.gz CUNUUECIHUJGKL-NEPJUHHUSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001127065664 813709654 /nfs/dbraw/zinc/70/96/54/813709654.db2.gz CUNUUECIHUJGKL-NEPJUHHUSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127077669 813711859 /nfs/dbraw/zinc/71/18/59/813711859.db2.gz GVQTUYGUYHQQJP-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127077669 813711863 /nfs/dbraw/zinc/71/18/63/813711863.db2.gz GVQTUYGUYHQQJP-NEPJUHHUSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127077672 813711936 /nfs/dbraw/zinc/71/19/36/813711936.db2.gz GVQTUYGUYHQQJP-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127077672 813711937 /nfs/dbraw/zinc/71/19/37/813711937.db2.gz GVQTUYGUYHQQJP-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256544 813721066 /nfs/dbraw/zinc/72/10/66/813721066.db2.gz OVMWIDXPFLZNJD-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256544 813721074 /nfs/dbraw/zinc/72/10/74/813721074.db2.gz OVMWIDXPFLZNJD-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO Cn1cc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001127475391 813731773 /nfs/dbraw/zinc/73/17/73/813731773.db2.gz UXYRAPJZWKMVRR-AWEZNQCLSA-N 1 3 291.399 -0.032 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475568 813731979 /nfs/dbraw/zinc/73/19/79/813731979.db2.gz VXZYRZIUPCEEDE-CYBMUJFWSA-N 1 3 296.415 -0.440 20 0 CBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001127474835 813732199 /nfs/dbraw/zinc/73/21/99/813732199.db2.gz PJBPFFGWYAXSCM-CYBMUJFWSA-N 1 3 294.399 -0.734 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475587 813733681 /nfs/dbraw/zinc/73/36/81/813733681.db2.gz WDNBRDKVHOGBPK-GFCCVEGCSA-N 1 3 282.388 -0.830 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001127637931 813740019 /nfs/dbraw/zinc/74/00/19/813740019.db2.gz CMJKIELJAAIBAP-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001127637931 813740027 /nfs/dbraw/zinc/74/00/27/813740027.db2.gz CMJKIELJAAIBAP-JHJVBQTASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001127685465 813741706 /nfs/dbraw/zinc/74/17/06/813741706.db2.gz OYZGMUPJXOMKDM-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001127685465 813741710 /nfs/dbraw/zinc/74/17/10/813741710.db2.gz OYZGMUPJXOMKDM-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](F)CN(CC)CC)C(N)=O ZINC001128539863 813779329 /nfs/dbraw/zinc/77/93/29/813779329.db2.gz MHHZHPPFDSJFIB-GHMZBOCLSA-N 1 3 290.383 -0.364 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001128786126 813799454 /nfs/dbraw/zinc/79/94/54/813799454.db2.gz RTDFJCBUKPRIDG-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001128786126 813799463 /nfs/dbraw/zinc/79/94/63/813799463.db2.gz RTDFJCBUKPRIDG-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129411242 813840631 /nfs/dbraw/zinc/84/06/31/813840631.db2.gz YCESJWIWFXWNOA-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129411242 813840635 /nfs/dbraw/zinc/84/06/35/813840635.db2.gz YCESJWIWFXWNOA-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)N1CCC1)C1CC1 ZINC001129436563 813842630 /nfs/dbraw/zinc/84/26/30/813842630.db2.gz RAWJQRGAQQGNJT-ZDUSSCGKSA-N 1 3 282.388 -0.735 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129436537 813843189 /nfs/dbraw/zinc/84/31/89/813843189.db2.gz QSIGKLFEJIMJML-VXGBXAGGSA-N 1 3 273.377 -0.960 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437024 813843246 /nfs/dbraw/zinc/84/32/46/813843246.db2.gz UTLPTUQBXYVTFQ-ZDUSSCGKSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001129418989 813843987 /nfs/dbraw/zinc/84/39/87/813843987.db2.gz ZTGUHRZPLAITPK-QWHCGFSZSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001129418989 813843993 /nfs/dbraw/zinc/84/39/93/813843993.db2.gz ZTGUHRZPLAITPK-QWHCGFSZSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001129444574 813845051 /nfs/dbraw/zinc/84/50/51/813845051.db2.gz VIWDDLPEWNRHKI-WDEREUQCSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCn1cncn1)C1CC1 ZINC001129444277 813846107 /nfs/dbraw/zinc/84/61/07/813846107.db2.gz PZXIZSWAVHEZLP-LBPRGKRZSA-N 1 3 280.376 -0.676 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001129531960 813849955 /nfs/dbraw/zinc/84/99/55/813849955.db2.gz NUSGHINTIQKNHT-SECBINFHSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001129535395 813850778 /nfs/dbraw/zinc/85/07/78/813850778.db2.gz PROLCSCPKAYUQM-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001129532250 813850811 /nfs/dbraw/zinc/85/08/11/813850811.db2.gz WYANEIRKFKUHKN-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129839518 813871545 /nfs/dbraw/zinc/87/15/45/813871545.db2.gz AWROBTJDMYBMBZ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129839518 813871549 /nfs/dbraw/zinc/87/15/49/813871549.db2.gz AWROBTJDMYBMBZ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947278 813881879 /nfs/dbraw/zinc/88/18/79/813881879.db2.gz RNLVEUMYVLXBHU-RYUDHWBXSA-N 1 3 275.393 -0.714 20 0 CBADHO CNC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130166577 813914661 /nfs/dbraw/zinc/91/46/61/813914661.db2.gz IEUIAGWWLMNMIL-UHFFFAOYSA-N 1 3 282.388 -0.686 20 0 CBADHO C[C@@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130171065 813914691 /nfs/dbraw/zinc/91/46/91/813914691.db2.gz FXYZLVRXLREKTK-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170235 813914778 /nfs/dbraw/zinc/91/47/78/813914778.db2.gz SNYLPFRSXWUOJQ-UHFFFAOYSA-N 1 3 268.361 -0.947 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001130203450 813918043 /nfs/dbraw/zinc/91/80/43/813918043.db2.gz MMYUTUMSBAWPEL-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001130205078 813919233 /nfs/dbraw/zinc/91/92/33/813919233.db2.gz GBUHBJCYIUQNBH-LLVKDONJSA-N 1 3 293.433 -0.533 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCn1cncn1 ZINC001130427341 813938473 /nfs/dbraw/zinc/93/84/73/813938473.db2.gz MAWRYVVUYLFDRV-UHFFFAOYSA-N 1 3 282.392 -0.286 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC1CC1 ZINC001130419032 813938815 /nfs/dbraw/zinc/93/88/15/813938815.db2.gz IRIOUGQASBNRNR-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC1CC1 ZINC001130419032 813938821 /nfs/dbraw/zinc/93/88/21/813938821.db2.gz IRIOUGQASBNRNR-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(N)=O ZINC001130558507 813952180 /nfs/dbraw/zinc/95/21/80/813952180.db2.gz BEJSALCGNSVSFM-LLVKDONJSA-N 1 3 293.371 -0.513 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130711084 813967845 /nfs/dbraw/zinc/96/78/45/813967845.db2.gz MXXXWCLTZSUZSB-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130711084 813967852 /nfs/dbraw/zinc/96/78/52/813967852.db2.gz MXXXWCLTZSUZSB-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522134 814037702 /nfs/dbraw/zinc/03/77/02/814037702.db2.gz UFYDBWWEADTXPN-KLNSDEMFSA-N 1 3 297.399 -0.410 20 0 CBADHO CCOCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131525783 814037798 /nfs/dbraw/zinc/03/77/98/814037798.db2.gz KCXSKIZFGHEACB-JVWICGRDSA-N 1 3 297.399 -0.408 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131525978 814038043 /nfs/dbraw/zinc/03/80/43/814038043.db2.gz SSDOPWZWMXWGRQ-MBHSVXNSSA-N 1 3 267.373 -0.035 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131789948 814069632 /nfs/dbraw/zinc/06/96/32/814069632.db2.gz BSRLBCUOKDVESO-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995271 814207211 /nfs/dbraw/zinc/20/72/11/814207211.db2.gz PXAXDAJVUGUTEU-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133040572 814211946 /nfs/dbraw/zinc/21/19/46/814211946.db2.gz XGFBXGQYUITTKD-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](NCCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001133051904 814212955 /nfs/dbraw/zinc/21/29/55/814212955.db2.gz UMQIRFYYILLQRA-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001133286106 814235102 /nfs/dbraw/zinc/23/51/02/814235102.db2.gz XJJPRIOSMOWASY-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N1CCC1)[NH+](C)C ZINC001133416032 814251887 /nfs/dbraw/zinc/25/18/87/814251887.db2.gz ZNJBHVGDRHIANB-CYBMUJFWSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCN1CCCC1=O)N(C)C ZINC001133434499 814253797 /nfs/dbraw/zinc/25/37/97/814253797.db2.gz USEDFNDOFQYHAA-CQSZACIVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001133433691 814254012 /nfs/dbraw/zinc/25/40/12/814254012.db2.gz AJKHNWMSQJYSGL-WDEREUQCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[C@H](C(=O)NCCNCC(N)=O)[NH+](CC)CC ZINC001133684926 814287012 /nfs/dbraw/zinc/28/70/12/814287012.db2.gz NSAHXBQRCNUDKP-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CC[C@H](C(=O)NCCNCC(=O)N(C)C)[NH+](CC)CC ZINC001133685297 814287911 /nfs/dbraw/zinc/28/79/11/814287911.db2.gz SGQFYIQPDDMHIM-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819667 814299179 /nfs/dbraw/zinc/29/91/79/814299179.db2.gz KQLBHMTUGBCNND-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819667 814299188 /nfs/dbraw/zinc/29/91/88/814299188.db2.gz KQLBHMTUGBCNND-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001133819844 814299745 /nfs/dbraw/zinc/29/97/45/814299745.db2.gz PNOVMVJZKFEFFI-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001133819844 814299753 /nfs/dbraw/zinc/29/97/53/814299753.db2.gz PNOVMVJZKFEFFI-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001133819846 814300254 /nfs/dbraw/zinc/30/02/54/814300254.db2.gz PNOVMVJZKFEFFI-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001133819846 814300267 /nfs/dbraw/zinc/30/02/67/814300267.db2.gz PNOVMVJZKFEFFI-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001133820035 814300331 /nfs/dbraw/zinc/30/03/31/814300331.db2.gz WBLRYJDXTRTTJR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133824003 814302712 /nfs/dbraw/zinc/30/27/12/814302712.db2.gz VQVRKXPADVTXBR-GFCCVEGCSA-N 1 3 297.403 -0.798 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846294 814307158 /nfs/dbraw/zinc/30/71/58/814307158.db2.gz YECCYPKNSVKIPQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846294 814307166 /nfs/dbraw/zinc/30/71/66/814307166.db2.gz YECCYPKNSVKIPQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849638 814309644 /nfs/dbraw/zinc/30/96/44/814309644.db2.gz BDEMDBSMUUICQZ-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001133849638 814309651 /nfs/dbraw/zinc/30/96/51/814309651.db2.gz BDEMDBSMUUICQZ-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863926 814312416 /nfs/dbraw/zinc/31/24/16/814312416.db2.gz RHPDXNLTYQAEBI-VXGBXAGGSA-N 1 3 284.404 -0.584 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863926 814312426 /nfs/dbraw/zinc/31/24/26/814312426.db2.gz RHPDXNLTYQAEBI-VXGBXAGGSA-N 1 3 284.404 -0.584 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866579 814313978 /nfs/dbraw/zinc/31/39/78/814313978.db2.gz NNCMHBCREGFQES-RYUDHWBXSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001133866579 814313989 /nfs/dbraw/zinc/31/39/89/814313989.db2.gz NNCMHBCREGFQES-RYUDHWBXSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cncn1C ZINC001133866724 814314450 /nfs/dbraw/zinc/31/44/50/814314450.db2.gz OFTIURDAXPZSOI-AAEUAGOBSA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cncn1C ZINC001133866724 814314463 /nfs/dbraw/zinc/31/44/63/814314463.db2.gz OFTIURDAXPZSOI-AAEUAGOBSA-N 1 3 279.388 -0.176 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869725 814317801 /nfs/dbraw/zinc/31/78/01/814317801.db2.gz KCMCXCFHBNYWOQ-OLZOCXBDSA-N 1 3 298.431 -0.242 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869725 814317807 /nfs/dbraw/zinc/31/78/07/814317807.db2.gz KCMCXCFHBNYWOQ-OLZOCXBDSA-N 1 3 298.431 -0.242 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870144 814318760 /nfs/dbraw/zinc/31/87/60/814318760.db2.gz QPZPZCMCTCWMRG-NEPJUHHUSA-N 1 3 284.404 -0.586 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870144 814318769 /nfs/dbraw/zinc/31/87/69/814318769.db2.gz QPZPZCMCTCWMRG-NEPJUHHUSA-N 1 3 284.404 -0.586 20 0 CBADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133893313 814321114 /nfs/dbraw/zinc/32/11/14/814321114.db2.gz CACJEJOVZCZNDZ-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001133962640 814331862 /nfs/dbraw/zinc/33/18/62/814331862.db2.gz JIKGAHUETKQPKQ-ZDUSSCGKSA-N 1 3 296.419 -0.059 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776228 814413276 /nfs/dbraw/zinc/41/32/76/814413276.db2.gz NORLOZKPESKWSQ-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001134780719 814413293 /nfs/dbraw/zinc/41/32/93/814413293.db2.gz SYGHVDQYKZSVSV-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337115 814461717 /nfs/dbraw/zinc/46/17/17/814461717.db2.gz SZYLPRVPFTUAEY-UHFFFAOYSA-N 1 3 292.383 -0.186 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001159914189 815604916 /nfs/dbraw/zinc/60/49/16/815604916.db2.gz BEXBGRJFKWZFLG-CQSZACIVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001159932245 815605829 /nfs/dbraw/zinc/60/58/29/815605829.db2.gz PJSAZNMCFTVDCU-YPMHNXCESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001159932244 815606449 /nfs/dbraw/zinc/60/64/49/815606449.db2.gz PJSAZNMCFTVDCU-WCQYABFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001159931610 815606814 /nfs/dbraw/zinc/60/68/14/815606814.db2.gz GTTXOLUTOQNUGQ-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001160421454 815619384 /nfs/dbraw/zinc/61/93/84/815619384.db2.gz RMICRNDDEVZEIN-ZDUSSCGKSA-N 1 3 296.419 -0.003 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001160426937 815619757 /nfs/dbraw/zinc/61/97/57/815619757.db2.gz KKOIHNASFMRVTL-NEPJUHHUSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146595280 814841673 /nfs/dbraw/zinc/84/16/73/814841673.db2.gz YFEWQFUSQVUCRO-GHMZBOCLSA-N 1 3 272.393 -0.315 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001146709673 814843413 /nfs/dbraw/zinc/84/34/13/814843413.db2.gz ARWCSUKPUOHLQI-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001146709673 814843416 /nfs/dbraw/zinc/84/34/16/814843416.db2.gz ARWCSUKPUOHLQI-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001146719307 814845334 /nfs/dbraw/zinc/84/53/34/814845334.db2.gz POEMZGZCOBRQDU-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001146719307 814845339 /nfs/dbraw/zinc/84/53/39/814845339.db2.gz POEMZGZCOBRQDU-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333782 814889466 /nfs/dbraw/zinc/88/94/66/814889466.db2.gz ZAOWDLCBBRMIFH-UHFFFAOYSA-N 1 3 296.415 -0.440 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877565 814922051 /nfs/dbraw/zinc/92/20/51/814922051.db2.gz LQTZWKVSJOBZCL-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877565 814922053 /nfs/dbraw/zinc/92/20/53/814922053.db2.gz LQTZWKVSJOBZCL-GFCCVEGCSA-N 1 3 284.404 -0.488 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878211 814922112 /nfs/dbraw/zinc/92/21/12/814922112.db2.gz VCSITMBETISWDK-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878211 814922117 /nfs/dbraw/zinc/92/21/17/814922117.db2.gz VCSITMBETISWDK-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877153 814922913 /nfs/dbraw/zinc/92/29/13/814922913.db2.gz DJKQBXKYMWPUPY-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877153 814922916 /nfs/dbraw/zinc/92/29/16/814922916.db2.gz DJKQBXKYMWPUPY-LBPRGKRZSA-N 1 3 284.404 -0.441 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147884255 814923292 /nfs/dbraw/zinc/92/32/92/814923292.db2.gz CJTBARSMYXUARX-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147884255 814923297 /nfs/dbraw/zinc/92/32/97/814923297.db2.gz CJTBARSMYXUARX-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878091 814923380 /nfs/dbraw/zinc/92/33/80/814923380.db2.gz RPVRHGVLDWNMBQ-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO CCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878091 814923384 /nfs/dbraw/zinc/92/33/84/814923384.db2.gz RPVRHGVLDWNMBQ-LLVKDONJSA-N 1 3 270.377 -0.830 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147886277 814923874 /nfs/dbraw/zinc/92/38/74/814923874.db2.gz SWTYZGBPYVCUQR-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147886277 814923880 /nfs/dbraw/zinc/92/38/80/814923880.db2.gz SWTYZGBPYVCUQR-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001159917510 815604072 /nfs/dbraw/zinc/60/40/72/815604072.db2.gz XYGOLOXAXIOGBT-VXGBXAGGSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1cnnn1C)C1CC1 ZINC001159916330 815604473 /nfs/dbraw/zinc/60/44/73/815604473.db2.gz QXVAFXYWCNMJBD-CYBMUJFWSA-N 1 3 294.403 -0.249 20 0 CBADHO COCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C1CCN(C)CC1 ZINC001160441190 815622214 /nfs/dbraw/zinc/62/22/14/815622214.db2.gz VJSFDMSVJIBUTM-STQMWFEESA-N 1 3 284.404 -0.898 20 0 CBADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2COC3(CNC3)CN2)cc1 ZINC001160443108 815622463 /nfs/dbraw/zinc/62/24/63/815622463.db2.gz DTOUGVHJSGXHEK-ZDUSSCGKSA-N 1 3 290.367 -0.325 20 0 CBADHO COCCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCN(C)CC1 ZINC001160441752 815622784 /nfs/dbraw/zinc/62/27/84/815622784.db2.gz XHGDAHNCYYUIGA-STQMWFEESA-N 1 3 285.388 -0.722 20 0 CBADHO C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160451681 815623744 /nfs/dbraw/zinc/62/37/44/815623744.db2.gz TYDLLDXWRWEMSA-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001160459980 815624695 /nfs/dbraw/zinc/62/46/95/815624695.db2.gz UUXMORLNFKZBDB-BBATYDOGSA-N 1 3 275.418 -0.460 20 0 CBADHO Cc1cc(CN(C)C(=O)[C@@H](N)CCC[NH3+])n(C)n1 ZINC001160475075 815626506 /nfs/dbraw/zinc/62/65/06/815626506.db2.gz MKVHHGBNNYZWJQ-NSHDSACASA-N 1 3 253.350 -0.247 20 0 CBADHO Cc1cc(CN(C)C(=O)[C@H]2C[NH2+]CC23CNC3)n(C)n1 ZINC001160474654 815626743 /nfs/dbraw/zinc/62/67/43/815626743.db2.gz HTYSOYDQFOKHGQ-GFCCVEGCSA-N 1 3 277.372 -0.504 20 0 CBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC([NH3+])CC2)COC1(C)C ZINC001160515835 815632928 /nfs/dbraw/zinc/63/29/28/815632928.db2.gz WVRLJPUBVHHKMC-ONGXEEELSA-N 1 3 298.387 -0.753 20 0 CBADHO NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160547977 815635491 /nfs/dbraw/zinc/63/54/91/815635491.db2.gz BHDUUFYBGSBMFQ-MNOVXSKESA-N 1 3 280.372 -0.806 20 0 CBADHO NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160547977 815635495 /nfs/dbraw/zinc/63/54/95/815635495.db2.gz BHDUUFYBGSBMFQ-MNOVXSKESA-N 1 3 280.372 -0.806 20 0 CBADHO Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)c1 ZINC001160601999 815644006 /nfs/dbraw/zinc/64/40/06/815644006.db2.gz JEGYUDPLDQAVQM-OLZOCXBDSA-N 1 3 289.383 -0.272 20 0 CBADHO Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC2)c1 ZINC001160601999 815644012 /nfs/dbraw/zinc/64/40/12/815644012.db2.gz JEGYUDPLDQAVQM-OLZOCXBDSA-N 1 3 289.383 -0.272 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(CCF)CC1 ZINC001160629211 815644770 /nfs/dbraw/zinc/64/47/70/815644770.db2.gz JEJQOONTCFVFLH-JTQLQIEISA-N 1 3 278.397 -0.881 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640717 815649444 /nfs/dbraw/zinc/64/94/44/815649444.db2.gz MPNJRRVBUQRDRT-ZJUUUORDSA-N 1 3 270.333 -0.894 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160682090 815655487 /nfs/dbraw/zinc/65/54/87/815655487.db2.gz CRZIOQLOASPJHH-BXUZGUMPSA-N 1 3 283.372 -0.593 20 0 CBADHO CC(C)[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160669924 815656076 /nfs/dbraw/zinc/65/60/76/815656076.db2.gz OJBHBFDRZSEFIO-RYUDHWBXSA-N 1 3 267.373 -0.321 20 0 CBADHO CCN(CCn1cccn1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160693509 815659429 /nfs/dbraw/zinc/65/94/29/815659429.db2.gz NPJRRSJSMAYIJR-NSHDSACASA-N 1 3 285.417 -0.249 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705786 815661510 /nfs/dbraw/zinc/66/15/10/815661510.db2.gz RWKXZRXXPXMKLK-JGVFFNPUSA-N 1 3 269.267 -0.158 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(n2cnnc2)CC1 ZINC001160718322 815663136 /nfs/dbraw/zinc/66/31/36/815663136.db2.gz FJGKVMVNFBHZKQ-GFCCVEGCSA-N 1 3 290.371 -0.749 20 0 CBADHO N[C@H](C(=O)N1CCC(n2cnnc2)CC1)C1CC[NH2+]CC1 ZINC001160722671 815664101 /nfs/dbraw/zinc/66/41/01/815664101.db2.gz SADMOFNRAPWABC-ZDUSSCGKSA-N 1 3 292.387 -0.232 20 0 CBADHO O=C(CNC1CC[NH2+]CC1)N1CCN2CCC1CC2 ZINC001160726559 815664595 /nfs/dbraw/zinc/66/45/95/815664595.db2.gz PWAVUNMDHLLIFV-UHFFFAOYSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]12 ZINC001160756463 815666995 /nfs/dbraw/zinc/66/69/95/815666995.db2.gz LSNRHGOEKPZFKS-DDHJBXDOSA-N 1 3 265.357 -0.711 20 0 CBADHO CCOC(=O)[C@]12CN(C(=O)C3(N)CC3)C[C@H]1C[NH2+]CC2 ZINC001160811874 815673604 /nfs/dbraw/zinc/67/36/04/815673604.db2.gz WPZFCQRUUGSZPC-ZWNOBZJWSA-N 1 3 281.356 -0.521 20 0 CBADHO Nc1cccnc1N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160825982 815674594 /nfs/dbraw/zinc/67/45/94/815674594.db2.gz OSBYKXQSCNVRKB-LBPRGKRZSA-N 1 3 292.387 -0.621 20 0 CBADHO COC(=O)C[C@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160833920 815676010 /nfs/dbraw/zinc/67/60/10/815676010.db2.gz VFSKHMMMJMSJIK-MNOVXSKESA-N 1 3 271.361 -0.146 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001160839387 815676135 /nfs/dbraw/zinc/67/61/35/815676135.db2.gz PHKYGMZSCDVFEQ-YPMHNXCESA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001160838763 815676413 /nfs/dbraw/zinc/67/64/13/815676413.db2.gz LVFLGJQCRSPLFQ-DGCLKSJQSA-N 1 3 255.362 -0.083 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(n2cccn2)CC1 ZINC001160845749 815677981 /nfs/dbraw/zinc/67/79/81/815677981.db2.gz HCNUUBPTIOFNRQ-ZDUSSCGKSA-N 1 3 289.383 -0.144 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001160883153 815684246 /nfs/dbraw/zinc/68/42/46/815684246.db2.gz FXZQNNBKYCHQOY-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883158 815684527 /nfs/dbraw/zinc/68/45/27/815684527.db2.gz FYZIRQQHWCKZBL-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001160883625 815685154 /nfs/dbraw/zinc/68/51/54/815685154.db2.gz QIHAPSBHKXRCLJ-WDEREUQCSA-N 1 3 298.387 -0.772 20 0 CBADHO COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160909281 815687234 /nfs/dbraw/zinc/68/72/34/815687234.db2.gz RFHSEZNRQXPGHH-HNGCFSAESA-N 1 3 279.384 -0.036 20 0 CBADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160940825 815690466 /nfs/dbraw/zinc/69/04/66/815690466.db2.gz HDROFSAFLHEXLF-RYUDHWBXSA-N 1 3 284.404 -0.265 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972659 815693557 /nfs/dbraw/zinc/69/35/57/815693557.db2.gz RNIDGHYCKONSCZ-PUERIAAYSA-N 1 3 283.344 -0.723 20 0 CBADHO CC(C)OC1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161009651 815694759 /nfs/dbraw/zinc/69/47/59/815694759.db2.gz HBXWRYZMYKLYLZ-NSHDSACASA-N 1 3 253.346 -0.569 20 0 CBADHO CC(C)OC1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161009929 815694863 /nfs/dbraw/zinc/69/48/63/815694863.db2.gz KHHYTRDHAYVWEF-BXUZGUMPSA-N 1 3 267.373 -0.179 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161030755 815699662 /nfs/dbraw/zinc/69/96/62/815699662.db2.gz HNLRADVXWMZTKM-SNVBAGLBSA-N 1 3 282.413 -0.680 20 0 CBADHO CC(=O)[C@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161037960 815701254 /nfs/dbraw/zinc/70/12/54/815701254.db2.gz CEJFHZQSCJGEHL-NWDGAFQWSA-N 1 3 253.346 -0.249 20 0 CBADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161050385 815705004 /nfs/dbraw/zinc/70/50/04/815705004.db2.gz MPPAZXNWTHQBDG-CHWSQXEVSA-N 1 3 296.415 -0.742 20 0 CBADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161050385 815705008 /nfs/dbraw/zinc/70/50/08/815705008.db2.gz MPPAZXNWTHQBDG-CHWSQXEVSA-N 1 3 296.415 -0.742 20 0 CBADHO CN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058531 815705382 /nfs/dbraw/zinc/70/53/82/815705382.db2.gz XGEQWXXAJQKIGC-SDDRHHMPSA-N 1 3 282.388 -0.955 20 0 CBADHO CN(C(=O)[C@@H](N)CC[S@](C)=O)C1(C)CC[NH2+]CC1 ZINC001161073793 815706921 /nfs/dbraw/zinc/70/69/21/815706921.db2.gz SLDCTUIYQLTFJY-YPMLDQLKSA-N 1 3 275.418 -0.317 20 0 CBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@H]21 ZINC001161081354 815709265 /nfs/dbraw/zinc/70/92/65/815709265.db2.gz ITJSUPIDGDNUIN-WCFLWFBJSA-N 1 3 277.372 -0.168 20 0 CBADHO C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@H]21 ZINC001161081354 815709268 /nfs/dbraw/zinc/70/92/68/815709268.db2.gz ITJSUPIDGDNUIN-WCFLWFBJSA-N 1 3 277.372 -0.168 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@@H]21 ZINC001161080988 815710315 /nfs/dbraw/zinc/71/03/15/815710315.db2.gz AUZHPRYCABPCQD-NEPJUHHUSA-N 1 3 266.389 -0.380 20 0 CBADHO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]1C ZINC001161117496 815717247 /nfs/dbraw/zinc/71/72/47/815717247.db2.gz LROHSQPDGQIOSY-MXWKQRLJSA-N 1 3 271.361 -0.147 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161132330 815719278 /nfs/dbraw/zinc/71/92/78/815719278.db2.gz YELDNTSVEGYUER-QWHCGFSZSA-N 1 3 294.399 -0.735 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001161226980 815730667 /nfs/dbraw/zinc/73/06/67/815730667.db2.gz SBQTWDYSYWYOKB-NSHDSACASA-N 1 3 286.420 -0.053 20 0 CBADHO N[C@@H](C(=O)N1CCC[C@@H](n2ccnn2)C1)C1CC[NH2+]CC1 ZINC001161235066 815732301 /nfs/dbraw/zinc/73/23/01/815732301.db2.gz MVFOZGZVCNVVHD-CHWSQXEVSA-N 1 3 292.387 -0.232 20 0 CBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161288340 815736504 /nfs/dbraw/zinc/73/65/04/815736504.db2.gz GTIDHQAIAGZOER-NEPJUHHUSA-N 1 3 299.419 -0.295 20 0 CBADHO CCN(C(=O)C[C@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC001161329339 815741815 /nfs/dbraw/zinc/74/18/15/815741815.db2.gz APOSSECGMOJEOC-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)N(C(=O)[C@@H](N)CC[S@](C)=O)[C@H]1CC[NH2+]C1 ZINC001161352515 815745907 /nfs/dbraw/zinc/74/59/07/815745907.db2.gz CENGVYKQHQYJFF-FHGNATFXSA-N 1 3 275.418 -0.319 20 0 CBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161371132 815746952 /nfs/dbraw/zinc/74/69/52/815746952.db2.gz AYMIJDUQWPLCGV-BXUZGUMPSA-N 1 3 299.371 -0.896 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161489367 815760010 /nfs/dbraw/zinc/76/00/10/815760010.db2.gz LXHYJGYAQVTQFQ-GXTWGEPZSA-N 1 3 279.388 -0.123 20 0 CBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CCC[NH3+])C2)C[C@@H](C)O1 ZINC001161493381 815763791 /nfs/dbraw/zinc/76/37/91/815763791.db2.gz MOTLBPPPUJWPRX-WZRBSPASSA-N 1 3 284.404 -0.627 20 0 CBADHO O=C(NCCC[NH2+]CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162851325 815846439 /nfs/dbraw/zinc/84/64/39/815846439.db2.gz NZDWCYJXKZLJBN-OWYJLGKBSA-N 1 3 297.399 -0.672 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872641 815846752 /nfs/dbraw/zinc/84/67/52/815846752.db2.gz ZCKDZTRRFPURKS-SDFYHXNISA-N 1 3 297.399 -0.674 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872640 815847127 /nfs/dbraw/zinc/84/71/27/815847127.db2.gz ZCKDZTRRFPURKS-OYNVLQORSA-N 1 3 297.399 -0.674 20 0 CBADHO CNCc1cc(N[C@@H]2COCCC23C[NH2+]C3)ncn1 ZINC001163068920 815857110 /nfs/dbraw/zinc/85/71/10/815857110.db2.gz LDROYPSRXZLFCU-LLVKDONJSA-N 1 3 263.345 -0.014 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001293078874 816502007 /nfs/dbraw/zinc/50/20/07/816502007.db2.gz DNHCZMHMMVCKOT-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001300147630 816738312 /nfs/dbraw/zinc/73/83/12/816738312.db2.gz HDOGWRQHDISORA-RWMBFGLXSA-N 1 3 269.389 -0.148 20 0 CBADHO CC[C@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)N(C)C ZINC001304083538 816778984 /nfs/dbraw/zinc/77/89/84/816778984.db2.gz FLZRWXJIRLGINW-ZYHUDNBSSA-N 1 3 255.362 -0.084 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)[C@@H]2CCNC2=O)C1 ZINC001316851440 816893129 /nfs/dbraw/zinc/89/31/29/816893129.db2.gz WSEIBLQCLCJCEW-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@@H]2CCNC2=O)C1 ZINC001316851440 816893137 /nfs/dbraw/zinc/89/31/37/816893137.db2.gz WSEIBLQCLCJCEW-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCCNC(=O)CC[NH+](C)C)[C@@H]1CCNC1=O ZINC001316901334 816899962 /nfs/dbraw/zinc/89/99/62/816899962.db2.gz GSKRSZDNINVUML-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(N)=O ZINC001316906415 816902942 /nfs/dbraw/zinc/90/29/42/816902942.db2.gz AUBRVJXOCQZWBQ-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCOCCO)C1 ZINC001316939782 816905132 /nfs/dbraw/zinc/90/51/32/816905132.db2.gz ARXSKVTWVQCJMO-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCOCCO)C1 ZINC001316939782 816905133 /nfs/dbraw/zinc/90/51/33/816905133.db2.gz ARXSKVTWVQCJMO-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCO ZINC001317246669 816949799 /nfs/dbraw/zinc/94/97/99/816949799.db2.gz WYMJZVPIVIFUBY-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317309701 816963335 /nfs/dbraw/zinc/96/33/35/816963335.db2.gz XYYFKCHIAIZCPT-ZDUSSCGKSA-N 1 3 285.388 -0.718 20 0 CBADHO CN(CCNCC(=O)N1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001317624885 817033506 /nfs/dbraw/zinc/03/35/06/817033506.db2.gz YGMMGTUOXGJDHZ-UHFFFAOYSA-N 1 3 296.415 -0.392 20 0 CBADHO C[N@H+](CCO)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317862413 817052523 /nfs/dbraw/zinc/05/25/23/817052523.db2.gz WKRPFNGCRIBXCD-ZDUSSCGKSA-N 1 3 269.389 -0.145 20 0 CBADHO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317862413 817052532 /nfs/dbraw/zinc/05/25/32/817052532.db2.gz WKRPFNGCRIBXCD-ZDUSSCGKSA-N 1 3 269.389 -0.145 20 0 CBADHO C[C@@H](O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273568 817093464 /nfs/dbraw/zinc/09/34/64/817093464.db2.gz UVYPXRRBXHHESL-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](C[NH2+]CCCO)N(C)C(=O)CN1CCCC1 ZINC001319575149 817220544 /nfs/dbraw/zinc/22/05/44/817220544.db2.gz UNVUMIIAMXNAON-LBPRGKRZSA-N 1 3 257.378 -0.099 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320738480 817384312 /nfs/dbraw/zinc/38/43/12/817384312.db2.gz WIJTWUSZTRATHL-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CCN(CC[NH2+]C[C@@H](C)O)C(=O)Cc1c[nH]cn1 ZINC001320854203 817403664 /nfs/dbraw/zinc/40/36/64/817403664.db2.gz KBNHEVOBSSNDNA-SNVBAGLBSA-N 1 3 254.334 -0.229 20 0 CBADHO CCN(CC[NH2+]C[C@H](C)O)C(=O)Cc1c[nH]cn1 ZINC001320854202 817404262 /nfs/dbraw/zinc/40/42/62/817404262.db2.gz KBNHEVOBSSNDNA-JTQLQIEISA-N 1 3 254.334 -0.229 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321057604 817436905 /nfs/dbraw/zinc/43/69/05/817436905.db2.gz QUDQUXKDJQFHSN-OEFFGFFESA-N 1 3 296.415 -0.005 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001321057604 817436908 /nfs/dbraw/zinc/43/69/08/817436908.db2.gz QUDQUXKDJQFHSN-OEFFGFFESA-N 1 3 296.415 -0.005 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C)C1 ZINC001321251100 817468862 /nfs/dbraw/zinc/46/88/62/817468862.db2.gz QPNFNXRKWQTELG-ZFDPJTLLSA-N 1 3 296.415 -0.322 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C)C1 ZINC001321251100 817468866 /nfs/dbraw/zinc/46/88/66/817468866.db2.gz QPNFNXRKWQTELG-ZFDPJTLLSA-N 1 3 296.415 -0.322 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334689 817484403 /nfs/dbraw/zinc/48/44/03/817484403.db2.gz CJQGUWANEGQZOQ-QITAHTHBSA-N 1 3 296.415 -0.275 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321334689 817484408 /nfs/dbraw/zinc/48/44/08/817484408.db2.gz CJQGUWANEGQZOQ-QITAHTHBSA-N 1 3 296.415 -0.275 20 0 CBADHO CN(c1ccc2c(n1)OCCNC2)S(=O)(=O)CC[NH3+] ZINC001164287960 819900305 /nfs/dbraw/zinc/90/03/05/819900305.db2.gz ZVMOBRCYASKBBA-UHFFFAOYSA-N 1 3 286.357 -0.712 20 0 CBADHO c1nn(-c2ncnc3c2CC[NH2+]CC3)c2c1CNCC2 ZINC001165218492 819943551 /nfs/dbraw/zinc/94/35/51/819943551.db2.gz MVAHRXVHRJEBEZ-UHFFFAOYSA-N 1 3 270.340 -0.004 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001166004312 819988731 /nfs/dbraw/zinc/98/87/31/819988731.db2.gz KKOIHNASFMRVTL-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626606 820009579 /nfs/dbraw/zinc/00/95/79/820009579.db2.gz HRTSWBGPILZDMA-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001166626989 820010008 /nfs/dbraw/zinc/01/00/08/820010008.db2.gz NMBJXBYWAKESAD-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001166627453 820010074 /nfs/dbraw/zinc/01/00/74/820010074.db2.gz VYPKIRVKTWJZSG-CYBMUJFWSA-N 1 3 294.403 -0.142 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(=O)N(C)C ZINC001166678157 820014541 /nfs/dbraw/zinc/01/45/41/820014541.db2.gz UDOKFRAZZVTMCW-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001166678937 820015359 /nfs/dbraw/zinc/01/53/59/820015359.db2.gz ZLIFDQHHMYFQLQ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001166678935 820017333 /nfs/dbraw/zinc/01/73/33/820017333.db2.gz ZLIFDQHHMYFQLQ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708639 820017819 /nfs/dbraw/zinc/01/78/19/820017819.db2.gz VLMIJRITPMPCQC-AAEUAGOBSA-N 1 3 294.403 -0.391 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCc1cnnn1C ZINC001166708639 820017830 /nfs/dbraw/zinc/01/78/30/820017830.db2.gz VLMIJRITPMPCQC-AAEUAGOBSA-N 1 3 294.403 -0.391 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744176 820034809 /nfs/dbraw/zinc/03/48/09/820034809.db2.gz LEJMHJJVTSXKIL-UHFFFAOYSA-N 1 3 286.420 -0.194 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC)N(C)C ZINC001166858331 820042230 /nfs/dbraw/zinc/04/22/30/820042230.db2.gz PWVUURLZKNTZIE-RYUDHWBXSA-N 1 3 275.393 -0.570 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001166858408 820041921 /nfs/dbraw/zinc/04/19/21/820041921.db2.gz TUOHLYXSMOTULC-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc2c(nn1)CCNC2 ZINC001166968533 820058002 /nfs/dbraw/zinc/05/80/02/820058002.db2.gz WQASHFZCDJVWDF-KOLCDFICSA-N 1 3 277.328 -0.799 20 0 CBADHO Cc1cnc(N(C2CNC2)S(C)(=O)=O)c(C[NH3+])c1 ZINC001166970629 820058727 /nfs/dbraw/zinc/05/87/27/820058727.db2.gz RBTZIPKJJVANFS-UHFFFAOYSA-N 1 3 270.358 -0.413 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167224266 820074589 /nfs/dbraw/zinc/07/45/89/820074589.db2.gz IOEPEACDZWLBTG-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001167815619 820121495 /nfs/dbraw/zinc/12/14/95/820121495.db2.gz VWVMEQVQGYGBQQ-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CN1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])S(C)(=O)=O)C2 ZINC001169081630 820207346 /nfs/dbraw/zinc/20/73/46/820207346.db2.gz USKCQNSUCGPNCI-JGPRNRPPSA-N 1 3 261.391 -0.168 20 0 CBADHO CCN1CCC([NH2+]CCCN(CCO)CCO)CC1 ZINC001169221490 820213698 /nfs/dbraw/zinc/21/36/98/820213698.db2.gz IYDHVGCVZVYMBG-UHFFFAOYSA-N 1 3 273.421 -0.263 20 0 CBADHO NCc1cnnn1-c1cncc(N2CCC([NH3+])CC2)n1 ZINC001169308822 820225549 /nfs/dbraw/zinc/22/55/49/820225549.db2.gz QXPPJQOPROJEEK-UHFFFAOYSA-N 1 3 274.332 -0.557 20 0 CBADHO COc1c(N[C@H](C)[C@H]2CNCCO2)ncnc1C1C[NH2+]C1 ZINC001170566606 820305418 /nfs/dbraw/zinc/30/54/18/820305418.db2.gz AGECDFKYWXJDTM-MWLCHTKSSA-N 1 3 293.371 -0.039 20 0 CBADHO C[C@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001170557941 820305843 /nfs/dbraw/zinc/30/58/43/820305843.db2.gz JEYJQPODCWIEKA-RYUDHWBXSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@@H](Nc1nccnc1N1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001170558024 820306444 /nfs/dbraw/zinc/30/64/44/820306444.db2.gz KEGAOWNEGIZQIR-NEPJUHHUSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@H](Nc1nccc(C2C[NH2+]C2)n1)[C@H]1CNCCO1 ZINC001170574910 820307988 /nfs/dbraw/zinc/30/79/88/820307988.db2.gz XRWGVUHQFWNIMW-JOYOIKCWSA-N 1 3 263.345 -0.048 20 0 CBADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)ccn1 ZINC001170772417 820315969 /nfs/dbraw/zinc/31/59/69/820315969.db2.gz CIXMSRBINSIIJN-AAEUAGOBSA-N 1 3 278.356 -0.090 20 0 CBADHO Cn1ccc(CNCCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205152 820348822 /nfs/dbraw/zinc/34/88/22/820348822.db2.gz NYCJAFRVWVZFHR-UHFFFAOYSA-N 1 3 297.403 -0.406 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001171762435 820369391 /nfs/dbraw/zinc/36/93/91/820369391.db2.gz DQPPIQFYWPOBLT-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC ZINC001171762441 820369494 /nfs/dbraw/zinc/36/94/94/820369494.db2.gz DVYSNBBHDZRVKO-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171762795 820371096 /nfs/dbraw/zinc/37/10/96/820371096.db2.gz LHLNFIGAFLUUBJ-LLVKDONJSA-N 1 3 298.387 -0.771 20 0 CBADHO CCN1CC[C@@H](N2CCN(CCC[NH3+])CC2)CC1=O ZINC001172033642 820379318 /nfs/dbraw/zinc/37/93/18/820379318.db2.gz QAHRIEFIVKPPSD-CYBMUJFWSA-N 1 3 268.405 -0.036 20 0 CBADHO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)C(=O)NCC(N)=O ZINC001172111262 820382707 /nfs/dbraw/zinc/38/27/07/820382707.db2.gz PELDXUSOJDJDQA-FIQHERPVSA-N 1 3 282.388 -0.419 20 0 CBADHO [NH3+]CCN1CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173734601 820409291 /nfs/dbraw/zinc/40/92/91/820409291.db2.gz NUVYGMTULKCUIA-CHWSQXEVSA-N 1 3 279.392 -0.267 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176972027 820484803 /nfs/dbraw/zinc/48/48/03/820484803.db2.gz LDXWVLZHWYEZOP-LLVKDONJSA-N 1 3 270.377 -0.689 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176972224 820484856 /nfs/dbraw/zinc/48/48/56/820484856.db2.gz RMLUNFSTVUPJOH-UHFFFAOYSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001176986250 820485221 /nfs/dbraw/zinc/48/52/21/820485221.db2.gz IVJNGCYUDCYTBO-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176986453 820486361 /nfs/dbraw/zinc/48/63/61/820486361.db2.gz OTWZNONLQJDHDP-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179482503 820629779 /nfs/dbraw/zinc/62/97/79/820629779.db2.gz VLCYVGCAJFYOQD-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C)N(C)C ZINC001179550264 820631758 /nfs/dbraw/zinc/63/17/58/820631758.db2.gz VFRYILCKNXFOCP-AVGNSLFASA-N 1 3 298.431 -0.006 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001179852150 820643673 /nfs/dbraw/zinc/64/36/73/820643673.db2.gz AQCFIFAVAVDEKK-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001179852150 820643678 /nfs/dbraw/zinc/64/36/78/820643678.db2.gz AQCFIFAVAVDEKK-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179987399 820646863 /nfs/dbraw/zinc/64/68/63/820646863.db2.gz UYAWHBDJSZNGAG-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001179986884 820647582 /nfs/dbraw/zinc/64/75/82/820647582.db2.gz FPJMGNZYOBWLPL-RWMBFGLXSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001180226958 820654958 /nfs/dbraw/zinc/65/49/58/820654958.db2.gz VPAOZYIHYXTZFA-QWRGUYRKSA-N 1 3 270.377 -0.609 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651524 820808047 /nfs/dbraw/zinc/80/80/47/820808047.db2.gz CPDKYLDHJDPQFK-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652623 820808691 /nfs/dbraw/zinc/80/86/91/820808691.db2.gz NNKPFPQMKASWRT-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182391300 820913331 /nfs/dbraw/zinc/91/33/31/820913331.db2.gz NHQYHKWDTHFYIG-BDAKNGLRSA-N 1 3 269.349 -0.828 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229320 820982913 /nfs/dbraw/zinc/98/29/13/820982913.db2.gz IISOMSFUOMORQG-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289056 820989768 /nfs/dbraw/zinc/98/97/68/820989768.db2.gz QVOHANMLBUHKFH-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001183580955 821006634 /nfs/dbraw/zinc/00/66/34/821006634.db2.gz AOYLRSZFMBGTQS-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647050 821011672 /nfs/dbraw/zinc/01/16/72/821011672.db2.gz BVBCKSRXKLGERM-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647709 821012853 /nfs/dbraw/zinc/01/28/53/821012853.db2.gz IQDLCURUSQISKD-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183760410 821032382 /nfs/dbraw/zinc/03/23/82/821032382.db2.gz YMVZPLFOVURLQK-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183760410 821032387 /nfs/dbraw/zinc/03/23/87/821032387.db2.gz YMVZPLFOVURLQK-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001184868399 821091485 /nfs/dbraw/zinc/09/14/85/821091485.db2.gz RPCFZCYUZVLNAX-JHJVBQTASA-N 1 3 296.415 -0.252 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229831 821103752 /nfs/dbraw/zinc/10/37/52/821103752.db2.gz IITRTTFGRXHQDC-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265633 821119381 /nfs/dbraw/zinc/11/93/81/821119381.db2.gz RLUNLGDCSHUZAF-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385842 821126502 /nfs/dbraw/zinc/12/65/02/821126502.db2.gz VJUAVPMZLJQTRY-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408380 821128235 /nfs/dbraw/zinc/12/82/35/821128235.db2.gz QSKUYTDSZGCNBR-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185546817 821135291 /nfs/dbraw/zinc/13/52/91/821135291.db2.gz DNJHDUSQFYOHRA-OLZOCXBDSA-N 1 3 298.431 -0.112 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650687 821137044 /nfs/dbraw/zinc/13/70/44/821137044.db2.gz LOODLDKBUVDPPC-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650687 821137051 /nfs/dbraw/zinc/13/70/51/821137051.db2.gz LOODLDKBUVDPPC-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185763291 821139822 /nfs/dbraw/zinc/13/98/22/821139822.db2.gz RYEWTHSHBCWINI-CHWSQXEVSA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001186824785 821199341 /nfs/dbraw/zinc/19/93/41/821199341.db2.gz LMYJVLWHUWCEMF-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001186824785 821199345 /nfs/dbraw/zinc/19/93/45/821199345.db2.gz LMYJVLWHUWCEMF-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001186833173 821201576 /nfs/dbraw/zinc/20/15/76/821201576.db2.gz AIIARFTXFLBMNJ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001186833173 821201583 /nfs/dbraw/zinc/20/15/83/821201583.db2.gz AIIARFTXFLBMNJ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001186834477 821202145 /nfs/dbraw/zinc/20/21/45/821202145.db2.gz PCYDQMZFJXAYEM-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001186834477 821202152 /nfs/dbraw/zinc/20/21/52/821202152.db2.gz PCYDQMZFJXAYEM-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121093 821212289 /nfs/dbraw/zinc/21/22/89/821212289.db2.gz BZZKJEIZPJCOOY-GFCCVEGCSA-N 1 3 294.399 -0.639 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231193 821219683 /nfs/dbraw/zinc/21/96/83/821219683.db2.gz IKXQXHYJPPFPOQ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1 ZINC001279731046 828337541 /nfs/dbraw/zinc/33/75/41/828337541.db2.gz JSTFHDAMARNCOT-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001279838264 828340248 /nfs/dbraw/zinc/34/02/48/828340248.db2.gz JKGXTVKOFDIFMT-LBPRGKRZSA-N 1 3 296.371 -0.601 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001187276509 822263128 /nfs/dbraw/zinc/26/31/28/822263128.db2.gz MDPKDWMXAVKHJC-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001187276509 822263135 /nfs/dbraw/zinc/26/31/35/822263135.db2.gz MDPKDWMXAVKHJC-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001187323018 822267904 /nfs/dbraw/zinc/26/79/04/822267904.db2.gz UBCCBMUEGPVZGZ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO COCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835208 822297114 /nfs/dbraw/zinc/29/71/14/822297114.db2.gz RKDDMLCINRNNOD-GFCCVEGCSA-N 1 3 255.362 -0.081 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187819004 822297460 /nfs/dbraw/zinc/29/74/60/822297460.db2.gz XJVPACHRRLLBHT-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187819004 822297467 /nfs/dbraw/zinc/29/74/67/822297467.db2.gz XJVPACHRRLLBHT-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106229 822320727 /nfs/dbraw/zinc/32/07/27/822320727.db2.gz DSOWHEFEOQSWSC-GFCCVEGCSA-N 1 3 282.388 -0.462 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCO ZINC001282230224 828439253 /nfs/dbraw/zinc/43/92/53/828439253.db2.gz VDKGIRNUJGYIHX-DTWKUNHWSA-N 1 3 254.334 -0.264 20 0 CBADHO CC(C)[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)N(C)C ZINC001283132683 828498425 /nfs/dbraw/zinc/49/84/25/828498425.db2.gz KWWNALZUYOOVMD-CYBMUJFWSA-N 1 3 286.420 -0.243 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(CO)o1 ZINC001189159512 823739792 /nfs/dbraw/zinc/73/97/92/823739792.db2.gz XPILPWFHEMVXNI-UHFFFAOYSA-N 1 3 254.290 -0.154 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193102090 824003027 /nfs/dbraw/zinc/00/30/27/824003027.db2.gz CVQQXMLRPKFREA-AAVRWANBSA-N 1 3 299.415 -0.476 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102090 824003033 /nfs/dbraw/zinc/00/30/33/824003033.db2.gz CVQQXMLRPKFREA-AAVRWANBSA-N 1 3 299.415 -0.476 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001194293306 824068961 /nfs/dbraw/zinc/06/89/61/824068961.db2.gz FVVSNEUEROHNEE-LBPRGKRZSA-N 1 3 257.378 -0.148 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001194293306 824068963 /nfs/dbraw/zinc/06/89/63/824068963.db2.gz FVVSNEUEROHNEE-LBPRGKRZSA-N 1 3 257.378 -0.148 20 0 CBADHO CCOc1cc(C(=O)N(CCCC[NH3+])C(=N)N)cnn1 ZINC001194461987 824074904 /nfs/dbraw/zinc/07/49/04/824074904.db2.gz RQUJMKHBLVEIMB-UHFFFAOYSA-N 1 3 280.332 -0.050 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCN(CCCO)CC1 ZINC001197037738 824175994 /nfs/dbraw/zinc/17/59/94/824175994.db2.gz QVWLNFLUCNUTDR-UHFFFAOYSA-N 1 3 257.378 -0.145 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197775894 824202487 /nfs/dbraw/zinc/20/24/87/824202487.db2.gz PLLRWOZFMDGIRP-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197775894 824202494 /nfs/dbraw/zinc/20/24/94/824202494.db2.gz PLLRWOZFMDGIRP-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788752 824288422 /nfs/dbraw/zinc/28/84/22/824288422.db2.gz YZSSBQPCNQZIQV-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201493766 824333653 /nfs/dbraw/zinc/33/36/53/824333653.db2.gz JXIBMONXLVFAIJ-LBPRGKRZSA-N 1 3 282.344 -0.848 20 0 CBADHO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001205076408 824373969 /nfs/dbraw/zinc/37/39/69/824373969.db2.gz TZKYRYOPJFITAT-ONGXEEELSA-N 1 3 266.345 -0.604 20 0 CBADHO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001205076408 824373973 /nfs/dbraw/zinc/37/39/73/824373973.db2.gz TZKYRYOPJFITAT-ONGXEEELSA-N 1 3 266.345 -0.604 20 0 CBADHO Nc1ncc(CN2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205220057 824376368 /nfs/dbraw/zinc/37/63/68/824376368.db2.gz JPMSPNBZOWTBJD-GFCCVEGCSA-N 1 3 251.334 -0.266 20 0 CBADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946055 824389832 /nfs/dbraw/zinc/38/98/32/824389832.db2.gz HUFOBWRHLKVROA-LNFKQOIKSA-N 1 3 263.332 -0.129 20 0 CBADHO [NH3+][C@@H]1CN(Cc2nc3c(s2)CNCC3)CC[C@H]1O ZINC001206101864 824393701 /nfs/dbraw/zinc/39/37/01/824393701.db2.gz BOCIRWSWQDEGPN-PSASIEDQSA-N 1 3 268.386 -0.317 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001206175808 824394775 /nfs/dbraw/zinc/39/47/75/824394775.db2.gz CMYDGUHGUJKQFL-CQSZACIVSA-N 1 3 298.431 -0.114 20 0 CBADHO [NH3+]C[C@H]1CN(Cc2ccc3n2CCNC3)C[C@H]1O ZINC001206469696 824400844 /nfs/dbraw/zinc/40/08/44/824400844.db2.gz TVOHHEVNDFSCQE-GXFFZTMASA-N 1 3 250.346 -0.657 20 0 CBADHO [NH3+]C[C@H]1CN(Cc2nc3c(s2)CNCC3)C[C@@H]1O ZINC001206530418 824401453 /nfs/dbraw/zinc/40/14/53/824401453.db2.gz JHGHKDKFNPGHKW-WPRPVWTQSA-N 1 3 268.386 -0.460 20 0 CBADHO [NH3+]C[C@H]1CN(Cc2ccc3n2CCNC3)C[C@@H]1O ZINC001206520296 824401962 /nfs/dbraw/zinc/40/19/62/824401962.db2.gz TVOHHEVNDFSCQE-GWCFXTLKSA-N 1 3 250.346 -0.657 20 0 CBADHO COC(=O)[C@@H]1CN(CC2CC[NH2+]CC2)CCN1C ZINC001207440660 824428079 /nfs/dbraw/zinc/42/80/79/824428079.db2.gz BGCIKCZEQWUYOA-LBPRGKRZSA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684267 824433720 /nfs/dbraw/zinc/43/37/20/824433720.db2.gz LYZANHRNYADXIW-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315798 824468858 /nfs/dbraw/zinc/46/88/58/824468858.db2.gz UEFXIIKHLGUHBS-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001209445042 824470811 /nfs/dbraw/zinc/47/08/11/824470811.db2.gz JWZIFRUBVPDMKY-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454454 824471821 /nfs/dbraw/zinc/47/18/21/824471821.db2.gz LRORKHAKHAKBQW-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001209447123 824471843 /nfs/dbraw/zinc/47/18/43/824471843.db2.gz XPQYHOATASJOQS-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209632145 824474351 /nfs/dbraw/zinc/47/43/51/824474351.db2.gz KGGYWLULCDOGAH-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001209838042 824476105 /nfs/dbraw/zinc/47/61/05/824476105.db2.gz VXDINSJBBUHPIH-NSHDSACASA-N 1 3 266.345 -0.085 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209838017 824476407 /nfs/dbraw/zinc/47/64/07/824476407.db2.gz VMRQAZHRUBZVAP-DGCLKSJQSA-N 1 3 296.371 -0.460 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674446 824480794 /nfs/dbraw/zinc/48/07/94/824480794.db2.gz WHFJKNUTPNAJEN-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674446 824480796 /nfs/dbraw/zinc/48/07/96/824480796.db2.gz WHFJKNUTPNAJEN-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344207 824529624 /nfs/dbraw/zinc/52/96/24/824529624.db2.gz OGHGZCJKDAMNFV-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861307 824536229 /nfs/dbraw/zinc/53/62/29/824536229.db2.gz PWZJLYBFDCTXFJ-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(N)=O ZINC001215414326 824541754 /nfs/dbraw/zinc/54/17/54/824541754.db2.gz UAGAXRQERNPKMS-IJLUTSLNSA-N 1 3 296.415 -0.362 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455747 824542472 /nfs/dbraw/zinc/54/24/72/824542472.db2.gz FUOXQLPTXYRMKL-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001215463427 824542482 /nfs/dbraw/zinc/54/24/82/824542482.db2.gz WOAXACOHECJBQL-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO C(OC[C@H]1CNCCO1)[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217822092 824562139 /nfs/dbraw/zinc/56/21/39/824562139.db2.gz KGXBENBJLBDTGN-RVMXOQNASA-N 1 3 256.346 -0.242 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001218062310 824563821 /nfs/dbraw/zinc/56/38/21/824563821.db2.gz KSKJAFPUJQJRIR-STQMWFEESA-N 1 3 291.351 -0.449 20 0 CBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2C[NH2+]CCOC2)cc1 ZINC001218044031 824564067 /nfs/dbraw/zinc/56/40/67/824564067.db2.gz LQOZXVUERGCFBQ-OLZOCXBDSA-N 1 3 279.340 -0.591 20 0 CBADHO Cc1cc(C[C@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)on1 ZINC001218500227 824570485 /nfs/dbraw/zinc/57/04/85/824570485.db2.gz DZXSLYVZXCAQNR-JOYOIKCWSA-N 1 3 278.356 -0.161 20 0 CBADHO Cc1cc(C[C@@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)on1 ZINC001218500225 824571097 /nfs/dbraw/zinc/57/10/97/824571097.db2.gz DZXSLYVZXCAQNR-BXKDBHETSA-N 1 3 278.356 -0.161 20 0 CBADHO O=C(Nc1ccc(Cl)nn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218509080 824575692 /nfs/dbraw/zinc/57/56/92/824575692.db2.gz PKMISQAGUYDHSG-ZETCQYMHSA-N 1 3 267.720 -0.123 20 0 CBADHO CSc1nccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218511511 824576451 /nfs/dbraw/zinc/57/64/51/824576451.db2.gz JFKHFDQWZMDRIH-QMMMGPOBSA-N 1 3 279.369 -0.054 20 0 CBADHO Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n2ncnc2n1 ZINC001218527496 824584589 /nfs/dbraw/zinc/58/45/89/824584589.db2.gz LNFOTDJHLZQBRH-SECBINFHSA-N 1 3 287.327 -0.820 20 0 CBADHO COc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)ncn1 ZINC001218535325 824585689 /nfs/dbraw/zinc/58/56/89/824585689.db2.gz IDQRHMIYKBQHAD-LLVKDONJSA-N 1 3 265.317 -0.249 20 0 CBADHO Cc1noc([N-]C(=O)[C@H]([NH3+])CCC[NH3+])c1C(N)=O ZINC001218551947 824589564 /nfs/dbraw/zinc/58/95/64/824589564.db2.gz WLLQHBMSWQHOSA-ZCFIWIBFSA-N 1 3 255.278 -0.913 20 0 CBADHO Cc1noc(NC(=O)[C@H](N)CCC[NH3+])c1C(N)=O ZINC001218551947 824589572 /nfs/dbraw/zinc/58/95/72/824589572.db2.gz WLLQHBMSWQHOSA-ZCFIWIBFSA-N 1 3 255.278 -0.913 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218554148 824590741 /nfs/dbraw/zinc/59/07/41/824590741.db2.gz HXGLNJSVTOCWQI-QMMMGPOBSA-N 1 3 283.332 -0.019 20 0 CBADHO O=C(Nc1noc2nccnc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218573442 824596394 /nfs/dbraw/zinc/59/63/94/824596394.db2.gz FMLCDNWRZHONBC-AMIZOPFISA-N 1 3 288.311 -0.245 20 0 CBADHO C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001218574282 824597713 /nfs/dbraw/zinc/59/77/13/824597713.db2.gz HVFQSJAWJLJLTN-ZETCQYMHSA-N 1 3 298.347 -0.532 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001218579287 824598980 /nfs/dbraw/zinc/59/89/80/824598980.db2.gz BNFYJTICOPCOGO-ZETCQYMHSA-N 1 3 267.289 -0.732 20 0 CBADHO COc1ncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218590955 824601039 /nfs/dbraw/zinc/60/10/39/824601039.db2.gz ZBAIJJOJJBKBMG-VIFPVBQESA-N 1 3 263.301 -0.767 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218604828 824601369 /nfs/dbraw/zinc/60/13/69/824601369.db2.gz WLTUMBUOTTVHRW-SNVBAGLBSA-N 1 3 267.308 -0.344 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218603864 824601450 /nfs/dbraw/zinc/60/14/50/824601450.db2.gz IFFPSRJZNAELMJ-ZETCQYMHSA-N 1 3 265.292 -0.862 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218623130 824605612 /nfs/dbraw/zinc/60/56/12/824605612.db2.gz ZYQVYTHNQCMAGY-SECBINFHSA-N 1 3 299.400 -0.016 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@@H](N)CCC[NH3+] ZINC001218622933 824605878 /nfs/dbraw/zinc/60/58/78/824605878.db2.gz YXSHITUEYHAXIE-YFKPBYRVSA-N 1 3 258.713 -0.695 20 0 CBADHO Cc1cc(C)n2nc(NC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)cc2n1 ZINC001218628756 824608715 /nfs/dbraw/zinc/60/87/15/824608715.db2.gz PHOGANIIIUMDGN-ZJUUUORDSA-N 1 3 274.328 -0.026 20 0 CBADHO CCOC(=O)c1cc(NC(=O)[C@@H](N)CCC[NH3+])n(C)n1 ZINC001218637419 824611964 /nfs/dbraw/zinc/61/19/64/824611964.db2.gz WGCVYTLQOYHWKZ-QMMMGPOBSA-N 1 3 283.332 -0.399 20 0 CBADHO COc1ncnc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c1OC ZINC001218652524 824615741 /nfs/dbraw/zinc/61/57/41/824615741.db2.gz GVNLVFDHLZREJS-RQJHMYQMSA-N 1 3 267.289 -0.879 20 0 CBADHO COc1ncnc(NC(=O)[C@@H](N)CCCC[NH3+])c1OC ZINC001218652507 824616222 /nfs/dbraw/zinc/61/62/22/824616222.db2.gz GKZKUGVPZQYOPJ-QMMMGPOBSA-N 1 3 283.332 -0.111 20 0 CBADHO Nc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218674137 824621267 /nfs/dbraw/zinc/62/12/67/824621267.db2.gz RTDQWDKAZZSFBQ-ZCFIWIBFSA-N 1 3 282.735 -0.540 20 0 CBADHO CCOc1cc(N)n(C(=O)[C@H](N)C2CC[NH2+]CC2)c(=N)n1 ZINC001218681432 824622163 /nfs/dbraw/zinc/62/21/63/824622163.db2.gz UHDKUNAMOPUOCO-LLVKDONJSA-N 1 3 294.359 -0.689 20 0 CBADHO COCn1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001218700142 824623853 /nfs/dbraw/zinc/62/38/53/824623853.db2.gz DWIVUJFJZALBHP-LLVKDONJSA-N 1 3 267.333 -0.248 20 0 CBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001218699512 824623976 /nfs/dbraw/zinc/62/39/76/824623976.db2.gz KMPJCIVEYODISL-VIFPVBQESA-N 1 3 289.343 -0.073 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703557 824626106 /nfs/dbraw/zinc/62/61/06/824626106.db2.gz FMBCXWAHVJSSEY-SNVBAGLBSA-N 1 3 280.332 -0.745 20 0 CBADHO [NH3+][C@@H]1CN[C@H](C(=O)Nc2cc([C@H]3CCCN3)no2)C1 ZINC001218713937 824627356 /nfs/dbraw/zinc/62/73/56/824627356.db2.gz VADRNDBXVUNUTI-XKSSXDPKSA-N 1 3 265.317 -0.273 20 0 CBADHO N[C@]1(C(=O)Nc2cc([C@@H]3CCCN3)no2)CC[NH2+]C1 ZINC001218714298 824627698 /nfs/dbraw/zinc/62/76/98/824627698.db2.gz XIJSROYOUFYSRK-QPUJVOFHSA-N 1 3 265.317 -0.272 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218712201 824627956 /nfs/dbraw/zinc/62/79/56/824627956.db2.gz NSMYKBQPOJZKKR-KHQFGBGNSA-N 1 3 266.301 -0.382 20 0 CBADHO CCN(C)c1ncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218741719 824632239 /nfs/dbraw/zinc/63/22/39/824632239.db2.gz ZSIYXSNPPWZPRC-LLVKDONJSA-N 1 3 290.371 -0.320 20 0 CBADHO CNC(=O)c1cccnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218764641 824635652 /nfs/dbraw/zinc/63/56/52/824635652.db2.gz QZPUVOZQWBPPAL-SNVBAGLBSA-N 1 3 289.339 -0.811 20 0 CBADHO O=C(Nc1cnc2nccn2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218785949 824637520 /nfs/dbraw/zinc/63/75/20/824637520.db2.gz UUVQXELPBAEQFA-QMTHXVAHSA-N 1 3 286.339 -0.133 20 0 CBADHO CCc1c(NC(=O)[C@@H](N)CCC[NH3+])c(C(N)=O)nn1C ZINC001218789050 824638543 /nfs/dbraw/zinc/63/85/43/824638543.db2.gz YKPLRBITHPLIHR-ZETCQYMHSA-N 1 3 282.348 -0.914 20 0 CBADHO Cn1nnc2cc(NC(=O)[C@H](N)CCC[NH3+])ccc21 ZINC001218879462 824645894 /nfs/dbraw/zinc/64/58/94/824645894.db2.gz XFPFPWUBNSYJNL-SECBINFHSA-N 1 3 262.317 -0.027 20 0 CBADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CNCCN1 ZINC001218937931 824648301 /nfs/dbraw/zinc/64/83/01/824648301.db2.gz LYXLTPSCAZESIT-AWEZNQCLSA-N 1 3 274.368 -0.125 20 0 CBADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CNCCN1 ZINC001218937162 824648584 /nfs/dbraw/zinc/64/85/84/824648584.db2.gz LYXLTPSCAZESIT-CQSZACIVSA-N 1 3 274.368 -0.125 20 0 CBADHO N[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C1 ZINC001219027757 824652976 /nfs/dbraw/zinc/65/29/76/824652976.db2.gz AUYXGQNHUPXFLG-CQSZACIVSA-N 1 3 276.340 -0.202 20 0 CBADHO O=C(Nc1ccc(CO)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219051233 824653898 /nfs/dbraw/zinc/65/38/98/824653898.db2.gz WEDXNPDZHFAOGA-LBPRGKRZSA-N 1 3 261.325 -0.074 20 0 CBADHO N=c1c2cc(N)ccc2on1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219136949 824666064 /nfs/dbraw/zinc/66/60/64/824666064.db2.gz XPYNZVKWIKDMDG-JTQLQIEISA-N 1 3 287.323 -0.255 20 0 CBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CNCCN1 ZINC001219537318 824723876 /nfs/dbraw/zinc/72/38/76/824723876.db2.gz KZCFOMATUSEBNO-CDMKHQONSA-N 1 3 288.351 -0.366 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@@H](N)Cc1cncn1C ZINC001219553838 824727131 /nfs/dbraw/zinc/72/71/31/824727131.db2.gz NUIBSCYAFLSPFU-LBPRGKRZSA-N 1 3 267.377 -0.252 20 0 CBADHO O=C(NCCn1ccnn1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219566311 824732135 /nfs/dbraw/zinc/73/21/35/824732135.db2.gz ZJOQVYSSEBONCW-LLVKDONJSA-N 1 3 278.360 -0.732 20 0 CBADHO O=C(NCCn1ccnn1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219566311 824732140 /nfs/dbraw/zinc/73/21/40/824732140.db2.gz ZJOQVYSSEBONCW-LLVKDONJSA-N 1 3 278.360 -0.732 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCN1CCCCC1=O ZINC001219567233 824732718 /nfs/dbraw/zinc/73/27/18/824732718.db2.gz BVJYXMMQUTWDMR-SNVBAGLBSA-N 1 3 256.350 -0.819 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)C2(O)CCN(C)CC2)C[NH2+]1 ZINC001219584997 824736663 /nfs/dbraw/zinc/73/66/63/824736663.db2.gz PJZXOOBOMGBCEK-QWRGUYRKSA-N 1 3 255.362 -0.300 20 0 CBADHO Cc1ccnc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001219600428 824741158 /nfs/dbraw/zinc/74/11/58/824741158.db2.gz SWSLZJAPNYHUJY-SNVBAGLBSA-N 1 3 261.329 -0.790 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCS(C)(=O)=O ZINC001219608328 824852903 /nfs/dbraw/zinc/85/29/03/824852903.db2.gz VJNICKIVJGCZPI-NSHDSACASA-N 1 3 293.433 -0.357 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608091 824852954 /nfs/dbraw/zinc/85/29/54/824852954.db2.gz OOMGWLOMNBQYDF-WPRPVWTQSA-N 1 3 291.277 -0.310 20 0 CBADHO N[C@H](C(=O)NCCN1CCCCO1)C1CC[NH2+]CC1 ZINC001219632969 824866207 /nfs/dbraw/zinc/86/62/07/824866207.db2.gz VGHYPIBUZSDAFJ-LBPRGKRZSA-N 1 3 270.377 -0.543 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CNCc3ccnn3C2)C1 ZINC001219639125 824867855 /nfs/dbraw/zinc/86/78/55/824867855.db2.gz VLJIXSNGHCDMRK-YNEHKIRRSA-N 1 3 291.399 -0.036 20 0 CBADHO Cn1cnc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001219634101 824867942 /nfs/dbraw/zinc/86/79/42/824867942.db2.gz NTUMRTZLQUBJGD-ZDUSSCGKSA-N 1 3 291.399 -0.047 20 0 CBADHO Cn1cnc(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001219634101 824867947 /nfs/dbraw/zinc/86/79/47/824867947.db2.gz NTUMRTZLQUBJGD-ZDUSSCGKSA-N 1 3 291.399 -0.047 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671652 824876678 /nfs/dbraw/zinc/87/66/78/824876678.db2.gz MYFKPWQFQSSOCI-MNOVXSKESA-N 1 3 291.417 -0.651 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684219 824877619 /nfs/dbraw/zinc/87/76/19/824877619.db2.gz LFZAIVITTRSJAY-XQHKEYJVSA-N 1 3 298.431 -0.021 20 0 CBADHO CN(C(=O)CCNC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001219692739 824879738 /nfs/dbraw/zinc/87/97/38/824879738.db2.gz HASJNXACHUCCLT-JTQLQIEISA-N 1 3 288.417 -0.867 20 0 CBADHO N[C@H](C(=O)NCCC1(O)C[NH2+]C1)C1Cc2ccccc2C1 ZINC001219696177 824881672 /nfs/dbraw/zinc/88/16/72/824881672.db2.gz BEYXCDBBCBGOMC-AWEZNQCLSA-N 1 3 289.379 -0.431 20 0 CBADHO Cn1cccc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219699162 824882892 /nfs/dbraw/zinc/88/28/92/824882892.db2.gz UUNLZASUOBDFGF-LBPRGKRZSA-N 1 3 250.346 -0.032 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767717 824891898 /nfs/dbraw/zinc/89/18/98/824891898.db2.gz CRNLDFCRTKPFNG-JQWIXIFHSA-N 1 3 269.324 -0.513 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769149 824892377 /nfs/dbraw/zinc/89/23/77/824892377.db2.gz SZSPKNZKMJVJAJ-DNTLEWNLSA-N 1 3 279.381 -0.710 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772896 824891951 /nfs/dbraw/zinc/89/19/51/824891951.db2.gz FFAYDQDJNSXAAJ-NSHDSACASA-N 1 3 283.372 -0.085 20 0 CBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219847704 824901330 /nfs/dbraw/zinc/90/13/30/824901330.db2.gz PNBHDHKROLZOOK-SNIKSBKOSA-N 1 3 295.383 -0.611 20 0 CBADHO NC(C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C(F)(F)F ZINC001219852215 824902910 /nfs/dbraw/zinc/90/29/10/824902910.db2.gz ONXGPJLNHGTYDD-MAUMQABQSA-N 1 3 281.278 -0.383 20 0 CBADHO CN1CCN(c2ccncc2C(=O)NCC[NH3+])CC1 ZINC001219874467 824905848 /nfs/dbraw/zinc/90/58/48/824905848.db2.gz PCHFTYXVRVBIHK-UHFFFAOYSA-N 1 3 263.345 -0.478 20 0 CBADHO CN[C@@H](COCc1ccccc1)C(=O)NCC[NH3+] ZINC001219868792 824906653 /nfs/dbraw/zinc/90/66/53/824906653.db2.gz ROYKIKFVGXBPPK-LBPRGKRZSA-N 1 3 251.330 -0.134 20 0 CBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219880450 824908440 /nfs/dbraw/zinc/90/84/40/824908440.db2.gz BCNKFYAAXKZWSA-ONGXEEELSA-N 1 3 271.361 -0.230 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219882958 824909678 /nfs/dbraw/zinc/90/96/78/824909678.db2.gz QHDGVJLAMMWODP-NOZJJQNGSA-N 1 3 282.344 -0.768 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@H](N)CCC[NH3+])c1ccc(O)cc1 ZINC001219885791 824909854 /nfs/dbraw/zinc/90/98/54/824909854.db2.gz WQQOIEDYIAQKBY-VXGBXAGGSA-N 1 3 295.339 -0.211 20 0 CBADHO CC(C)(C)C(=O)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219943320 824918295 /nfs/dbraw/zinc/91/82/95/824918295.db2.gz CPWXKALCQTWABT-SECBINFHSA-N 1 3 253.346 -0.473 20 0 CBADHO Cc1cc(CNC(=O)[C@@H](N)CSCC[NH3+])[nH]n1 ZINC001219943494 824919441 /nfs/dbraw/zinc/91/94/41/824919441.db2.gz LAOKOPBALMFTON-VIFPVBQESA-N 1 3 257.363 -0.646 20 0 CBADHO Cc1cc(CNC(=O)[C@@H](N)CSCC[NH3+])n[nH]1 ZINC001219943494 824919443 /nfs/dbraw/zinc/91/94/43/824919443.db2.gz LAOKOPBALMFTON-VIFPVBQESA-N 1 3 257.363 -0.646 20 0 CBADHO CCC[NH+]1CCC(NC(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001219954067 824919993 /nfs/dbraw/zinc/91/99/93/824919993.db2.gz CEBFPKUGQPWBKD-GFCCVEGCSA-N 1 3 299.419 -0.247 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001219961765 824924298 /nfs/dbraw/zinc/92/42/98/824924298.db2.gz VSVWLEDANBZCDX-LBPRGKRZSA-N 1 3 288.351 -0.789 20 0 CBADHO C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219970153 824926411 /nfs/dbraw/zinc/92/64/11/824926411.db2.gz VZBQKMBQKXDNEB-RYUDHWBXSA-N 1 3 297.403 -0.326 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219977116 824927954 /nfs/dbraw/zinc/92/79/54/824927954.db2.gz RJBBIYHYEQIFPM-NSHDSACASA-N 1 3 270.377 -0.382 20 0 CBADHO N[C@@H](C(=O)NC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979117 824930029 /nfs/dbraw/zinc/93/00/29/824930029.db2.gz ZWBROQBYRYOJPA-VXGBXAGGSA-N 1 3 255.362 -0.001 20 0 CBADHO N[C@H](C(=O)NC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001219979116 824930061 /nfs/dbraw/zinc/93/00/61/824930061.db2.gz ZWBROQBYRYOJPA-RYUDHWBXSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(NC[C@@H]1CCOC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220020286 824935938 /nfs/dbraw/zinc/93/59/38/824935938.db2.gz CYYFRERTGOVHJT-DMDPSCGWSA-N 1 3 253.346 -0.662 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045134 824942129 /nfs/dbraw/zinc/94/21/29/824942129.db2.gz MYWLLKCTQGBOOD-NSHDSACASA-N 1 3 274.328 -0.630 20 0 CBADHO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220141407 824967242 /nfs/dbraw/zinc/96/72/42/824967242.db2.gz LYDLEMIGJBHUOZ-GUBZILKMSA-N 1 3 277.390 -0.866 20 0 CBADHO COC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCCC1 ZINC001220048772 824944219 /nfs/dbraw/zinc/94/42/19/824944219.db2.gz WCPHCXYLCRKFEF-JTQLQIEISA-N 1 3 281.356 -0.603 20 0 CBADHO N[C@@H](C(=O)NCCc1cc[nH]n1)C1CC[NH2+]CC1 ZINC001220062249 824946438 /nfs/dbraw/zinc/94/64/38/824946438.db2.gz RTZMZEZBVXTPJW-LLVKDONJSA-N 1 3 251.334 -0.605 20 0 CBADHO N[C@H](C(=O)NCCc1cc[nH]n1)C1CC[NH2+]CC1 ZINC001220062250 824946726 /nfs/dbraw/zinc/94/67/26/824946726.db2.gz RTZMZEZBVXTPJW-NSHDSACASA-N 1 3 251.334 -0.605 20 0 CBADHO N[C@@H](C(=O)NC[C@H](O)c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220113333 824958065 /nfs/dbraw/zinc/95/80/65/824958065.db2.gz QLTAXJGWXGAYLT-UONOGXRCSA-N 1 3 293.367 -0.131 20 0 CBADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220112909 824958861 /nfs/dbraw/zinc/95/88/61/824958861.db2.gz DPBOWQOUBQIJNO-CHWSQXEVSA-N 1 3 291.351 -0.649 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113244 824958967 /nfs/dbraw/zinc/95/89/67/824958967.db2.gz OJEBWZWSQCUFAA-STQMWFEESA-N 1 3 281.356 -0.002 20 0 CBADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220112912 824959296 /nfs/dbraw/zinc/95/92/96/824959296.db2.gz DPBOWQOUBQIJNO-STQMWFEESA-N 1 3 291.351 -0.649 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)OC1 ZINC001220138807 824965840 /nfs/dbraw/zinc/96/58/40/824965840.db2.gz HGZGHXCNCBNRTL-KOLCDFICSA-N 1 3 299.371 -0.205 20 0 CBADHO O=C(NCc1cn[nH]c1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220148268 824969697 /nfs/dbraw/zinc/96/96/97/824969697.db2.gz SWXNBCSBJCJWLH-NSHDSACASA-N 1 3 263.345 -0.100 20 0 CBADHO O=C(NCc1cn[nH]c1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220148268 824969702 /nfs/dbraw/zinc/96/97/02/824969702.db2.gz SWXNBCSBJCJWLH-NSHDSACASA-N 1 3 263.345 -0.100 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149982 824969860 /nfs/dbraw/zinc/96/98/60/824969860.db2.gz MAHYNMGZRRZDAH-GUDRVLHUSA-N 1 3 270.377 -0.671 20 0 CBADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1nccs1 ZINC001220154808 824970788 /nfs/dbraw/zinc/97/07/88/824970788.db2.gz ZFMAKQYKHCGHBA-ZETCQYMHSA-N 1 3 265.342 -0.606 20 0 CBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(C[NH3+])COC1 ZINC001220154095 824971575 /nfs/dbraw/zinc/97/15/75/824971575.db2.gz KSDOSBFHAJVBRB-VIFPVBQESA-N 1 3 287.360 -0.850 20 0 CBADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC1(C[NH3+])COC1 ZINC001220154614 824971669 /nfs/dbraw/zinc/97/16/69/824971669.db2.gz VMVKITUSYYCMCR-ZDUSSCGKSA-N 1 3 281.331 -0.071 20 0 CBADHO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220157152 824972372 /nfs/dbraw/zinc/97/23/72/824972372.db2.gz YPBJWTRIDDIFIY-GMTAPVOTSA-N 1 3 253.346 -0.500 20 0 CBADHO O=C(N[C@H]1C[C@H](O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220157152 824972379 /nfs/dbraw/zinc/97/23/79/824972379.db2.gz YPBJWTRIDDIFIY-GMTAPVOTSA-N 1 3 253.346 -0.500 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(CCO)COC1 ZINC001220173154 824977322 /nfs/dbraw/zinc/97/73/22/824977322.db2.gz JWIQCVQXRYOLFB-LBPRGKRZSA-N 1 3 287.404 -0.250 20 0 CBADHO O=C(NC1(CCO)COC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220174156 824977539 /nfs/dbraw/zinc/97/75/39/824977539.db2.gz WENWISMUXMLUIJ-LLVKDONJSA-N 1 3 283.372 -0.872 20 0 CBADHO O=C(NC1(CCO)COC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220174156 824977544 /nfs/dbraw/zinc/97/75/44/824977544.db2.gz WENWISMUXMLUIJ-LLVKDONJSA-N 1 3 283.372 -0.872 20 0 CBADHO CC1(C)C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)O1 ZINC001220200585 824986644 /nfs/dbraw/zinc/98/66/44/824986644.db2.gz OIGKTEAEQDJKPZ-VHSXEESVSA-N 1 3 253.346 -0.521 20 0 CBADHO CCOC(=O)CC1(NC(=O)[C@@H](N)CCCC[NH3+])COC1 ZINC001220215038 824987569 /nfs/dbraw/zinc/98/75/69/824987569.db2.gz KCQHOMTWXCQDGH-JTQLQIEISA-N 1 3 287.360 -0.719 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220232442 824990655 /nfs/dbraw/zinc/99/06/55/824990655.db2.gz WLXQEZFOCVNOEB-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233981 824991587 /nfs/dbraw/zinc/99/15/87/824991587.db2.gz OLUUULXSUKEBPF-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220252386 824996044 /nfs/dbraw/zinc/99/60/44/824996044.db2.gz YXJVSHBLVXBNLU-DDBGAENHSA-N 1 3 275.418 -0.317 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220252386 824996047 /nfs/dbraw/zinc/99/60/47/824996047.db2.gz YXJVSHBLVXBNLU-DDBGAENHSA-N 1 3 275.418 -0.317 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220261201 824997469 /nfs/dbraw/zinc/99/74/69/824997469.db2.gz UMAAXULIWVFDME-UWVGGRQHSA-N 1 3 251.334 -0.551 20 0 CBADHO O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220261247 824999086 /nfs/dbraw/zinc/99/90/86/824999086.db2.gz VWAWIJMTXOIKPT-LALPHHSUSA-N 1 3 289.383 -0.418 20 0 CBADHO CCOCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277076 825002500 /nfs/dbraw/zinc/00/25/00/825002500.db2.gz PZMBTXXIBBRVKH-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO COCCn1cncc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220275418 825002796 /nfs/dbraw/zinc/00/27/96/825002796.db2.gz YGYBSAFPHYXFHM-CYBMUJFWSA-N 1 3 295.387 -0.527 20 0 CBADHO COCCn1cncc1CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220274664 825003346 /nfs/dbraw/zinc/00/33/46/825003346.db2.gz NAJFZXHUQQWZGV-NSHDSACASA-N 1 3 269.349 -0.788 20 0 CBADHO COCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276872 825003486 /nfs/dbraw/zinc/00/34/86/825003486.db2.gz LZVVZKFRQLSFAH-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282368 825005253 /nfs/dbraw/zinc/00/52/53/825005253.db2.gz JEDHUTIZDNLPFU-DCAQKATOSA-N 1 3 270.377 -0.657 20 0 CBADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220310483 825011867 /nfs/dbraw/zinc/01/18/67/825011867.db2.gz AVFSVZKLITZVON-IWIIMEHWSA-N 1 3 275.356 -0.542 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316895 825013238 /nfs/dbraw/zinc/01/32/38/825013238.db2.gz UMJBYDSKNMAEMN-SGMGOOAPSA-N 1 3 293.371 -0.693 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316889 825013587 /nfs/dbraw/zinc/01/35/87/825013587.db2.gz UMJBYDSKNMAEMN-BZPMIXESSA-N 1 3 293.371 -0.693 20 0 CBADHO NC(C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC001220321902 825015627 /nfs/dbraw/zinc/01/56/27/825015627.db2.gz ZVZRHNSNSZHWEA-XKSSXDPKSA-N 1 3 281.278 -0.097 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220335801 825017205 /nfs/dbraw/zinc/01/72/05/825017205.db2.gz UNNRZPXVQTZTBS-UPJWGTAASA-N 1 3 269.389 -0.054 20 0 CBADHO COC(=O)c1n[nH]cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220373644 825023169 /nfs/dbraw/zinc/02/31/69/825023169.db2.gz VZPJIQDIOSKGIB-SECBINFHSA-N 1 3 281.316 -0.538 20 0 CBADHO COC(=O)c1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220373320 825023898 /nfs/dbraw/zinc/02/38/98/825023898.db2.gz JMIQMBBGOHFPED-AMIZOPFISA-N 1 3 293.327 -0.666 20 0 CBADHO C=CC(=O)NCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220396444 825027835 /nfs/dbraw/zinc/02/78/35/825027835.db2.gz BPMNXURLVCSSLJ-LBPRGKRZSA-N 1 3 284.404 -0.100 20 0 CBADHO CNOCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220402999 825030006 /nfs/dbraw/zinc/03/00/06/825030006.db2.gz GSVZTXHKUJACMY-SNVBAGLBSA-N 1 3 256.350 -0.872 20 0 CBADHO CNOCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220402999 825030014 /nfs/dbraw/zinc/03/00/14/825030014.db2.gz GSVZTXHKUJACMY-SNVBAGLBSA-N 1 3 256.350 -0.872 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220497127 825050001 /nfs/dbraw/zinc/05/00/01/825050001.db2.gz KWDALIYFARBNBZ-HUTHGQBESA-N 1 3 261.391 -0.530 20 0 CBADHO CN[C@H](C(=O)NCCN(C)CC[NH3+])[C@@H](C)OC(C)(C)C ZINC001220515795 825054547 /nfs/dbraw/zinc/05/45/47/825054547.db2.gz KWSMHLVVYGBVNS-NEPJUHHUSA-N 1 3 288.436 -0.215 20 0 CBADHO CC(C)(O)CCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220573635 825067486 /nfs/dbraw/zinc/06/74/86/825067486.db2.gz QYTKEPHBEVFSFZ-JTQLQIEISA-N 1 3 255.362 -0.537 20 0 CBADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ncc(F)cn1 ZINC001220599152 825075496 /nfs/dbraw/zinc/07/54/96/825075496.db2.gz NGTKAHJPGBTSSL-GPCCPHFNSA-N 1 3 293.346 -0.008 20 0 CBADHO O=C(N[C@@H]1NC(=O)c2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220620356 825077595 /nfs/dbraw/zinc/07/75/95/825077595.db2.gz SHASYRIAFPYWPL-RYUDHWBXSA-N 1 3 286.335 -0.646 20 0 CBADHO Cn1nc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)c2ccccc21 ZINC001220632227 825078076 /nfs/dbraw/zinc/07/80/76/825078076.db2.gz OQPZJWWTHAIGDZ-LBPRGKRZSA-N 1 3 299.378 -0.002 20 0 CBADHO Nc1ncc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)s1 ZINC001220704915 825089962 /nfs/dbraw/zinc/08/99/62/825089962.db2.gz YHGMHCUJAIVBHA-VIFPVBQESA-N 1 3 281.385 -0.807 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@H](N)CCC[NH3+] ZINC001220709497 825091687 /nfs/dbraw/zinc/09/16/87/825091687.db2.gz ZJBJNFNVBLJMKV-SECBINFHSA-N 1 3 258.366 -0.526 20 0 CBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220765865 825098744 /nfs/dbraw/zinc/09/87/44/825098744.db2.gz GYGFABAHPNNWDL-IVZWLZJFSA-N 1 3 253.346 -0.929 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220781338 825101142 /nfs/dbraw/zinc/10/11/42/825101142.db2.gz YEJBMINTLKZVKB-YUTCNCBUSA-N 1 3 266.389 -0.190 20 0 CBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775201 825101490 /nfs/dbraw/zinc/10/14/90/825101490.db2.gz MMLISWHNCKFRHT-GDLCADMTSA-N 1 3 297.403 -0.318 20 0 CBADHO O=C(NCCN1CCC(F)(F)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220808284 825105838 /nfs/dbraw/zinc/10/58/38/825105838.db2.gz NCRMESKJRRDBLL-JTQLQIEISA-N 1 3 288.342 -0.747 20 0 CBADHO COc1ccc(CNC(=O)[C@H](N)CCC[NH3+])c(OC)n1 ZINC001220823428 825107401 /nfs/dbraw/zinc/10/74/01/825107401.db2.gz JBBYQOUZDUWFCA-SNVBAGLBSA-N 1 3 282.344 -0.219 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CC(F)F)C[NH2+]C1 ZINC001220830144 825109855 /nfs/dbraw/zinc/10/98/55/825109855.db2.gz PLVCGDVADMBTHK-ZETCQYMHSA-N 1 3 277.271 -0.495 20 0 CBADHO O=C(NCCc1cnc2cc[nH]cc1-2)[C@H]1C[NH2+]C[C@H]1O ZINC001220865833 825115161 /nfs/dbraw/zinc/11/51/61/825115161.db2.gz MIYCMJXDBMKANL-WCQYABFASA-N 1 3 274.324 -0.198 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@H]1C[NH2+]C[C@H]1O ZINC001220865833 825115164 /nfs/dbraw/zinc/11/51/64/825115164.db2.gz MIYCMJXDBMKANL-WCQYABFASA-N 1 3 274.324 -0.198 20 0 CBADHO COc1cncc(CNC(=O)[C@H](N)CCC[NH3+])c1 ZINC001220871240 825117307 /nfs/dbraw/zinc/11/73/07/825117307.db2.gz WTBJVTMXTPMCQH-LLVKDONJSA-N 1 3 252.318 -0.227 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220881432 825119110 /nfs/dbraw/zinc/11/91/10/825119110.db2.gz KMAYEOMPYUBKNN-QJPTWQEYSA-N 1 3 295.383 -0.214 20 0 CBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220881432 825119115 /nfs/dbraw/zinc/11/91/15/825119115.db2.gz KMAYEOMPYUBKNN-QJPTWQEYSA-N 1 3 295.383 -0.214 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220882148 825119947 /nfs/dbraw/zinc/11/99/47/825119947.db2.gz SMHIKWMZKQMDAJ-KOLCDFICSA-N 1 3 251.334 -0.842 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CNCc2ccnn2C1 ZINC001220882604 825119962 /nfs/dbraw/zinc/11/99/62/825119962.db2.gz XFJAEKACNXZSPP-GHMZBOCLSA-N 1 3 263.345 -0.529 20 0 CBADHO O=C(NC1(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220932100 825126213 /nfs/dbraw/zinc/12/62/13/825126213.db2.gz GYQHCBGQCXIQCU-BXUZGUMPSA-N 1 3 287.367 -0.219 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937434 825126735 /nfs/dbraw/zinc/12/67/35/825126735.db2.gz RINZDNSSOGALDS-SFYZADRCSA-N 1 3 251.277 -0.536 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939064 825127414 /nfs/dbraw/zinc/12/74/14/825127414.db2.gz GLHNOURWJUZNND-GFCCVEGCSA-N 1 3 296.346 -0.376 20 0 CBADHO COc1ccc(CNC(=O)[C@@H](N)CCC[NH3+])nc1OC ZINC001220955464 825128742 /nfs/dbraw/zinc/12/87/42/825128742.db2.gz JNPBJXWHJGCNNJ-JTQLQIEISA-N 1 3 282.344 -0.219 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCC1(c2cnccn2)CC1 ZINC001220992325 825131356 /nfs/dbraw/zinc/13/13/56/825131356.db2.gz MEKXNYRUOSSWBY-JTQLQIEISA-N 1 3 295.412 -0.356 20 0 CBADHO CCc1nnc2ccc(CNC(=O)[C@@H](N)CCC[NH3+])cn21 ZINC001220992862 825134139 /nfs/dbraw/zinc/13/41/39/825134139.db2.gz VVEXQZYRWYUKSJ-NSHDSACASA-N 1 3 290.371 -0.026 20 0 CBADHO O=C(NCCc1nncs1)[C@H]1C[NH2+]CC12CNC2 ZINC001221013556 825136941 /nfs/dbraw/zinc/13/69/41/825136941.db2.gz RPVSBTZYBRMTAH-MRVPVSSYSA-N 1 3 267.358 -0.994 20 0 CBADHO COC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221012994 825137240 /nfs/dbraw/zinc/13/72/40/825137240.db2.gz GUUSVJGPELKBEM-MNOVXSKESA-N 1 3 253.346 -0.663 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)[nH]1 ZINC001221080341 825141640 /nfs/dbraw/zinc/14/16/40/825141640.db2.gz YALNCWXFKAIZNC-GFCCVEGCSA-N 1 3 294.355 -0.256 20 0 CBADHO N[C@H](C(=O)NC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001221081959 825142230 /nfs/dbraw/zinc/14/22/30/825142230.db2.gz AGSXPZFIYJIHSD-LBPRGKRZSA-N 1 3 275.356 -0.091 20 0 CBADHO Cc1nccnc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221103912 825142890 /nfs/dbraw/zinc/14/28/90/825142890.db2.gz SMJWNKFDMCDHEH-SNVBAGLBSA-N 1 3 261.329 -0.790 20 0 CBADHO COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)CN)CC2)c1 ZINC001221092176 825143214 /nfs/dbraw/zinc/14/32/14/825143214.db2.gz RMGPUVGPPMDUAU-ZDUSSCGKSA-N 1 3 292.383 -0.242 20 0 CBADHO Cc1nccnc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221103762 825144033 /nfs/dbraw/zinc/14/40/33/825144033.db2.gz QHVAXKAKLCDXSE-GFCCVEGCSA-N 1 3 263.345 -0.272 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccnn1CCF ZINC001221107548 825145587 /nfs/dbraw/zinc/14/55/87/825145587.db2.gz FBDLKZOKXRWDAA-JTQLQIEISA-N 1 3 289.380 -0.512 20 0 CBADHO COCCOc1nccc(CNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001221158348 825148775 /nfs/dbraw/zinc/14/87/75/825148775.db2.gz ZXWUYBMDFCGWRN-NSHDSACASA-N 1 3 297.359 -0.816 20 0 CBADHO CN1CCC[C@@](C)(NC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001221240845 825158540 /nfs/dbraw/zinc/15/85/40/825158540.db2.gz FPVUTXVIZSXDBL-GFCCVEGCSA-N 1 3 254.378 -0.332 20 0 CBADHO O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1C[NH2+]CC12CNC2 ZINC001221242885 825158716 /nfs/dbraw/zinc/15/87/16/825158716.db2.gz ADVKOMQTKLPNEK-KXUCPTDWSA-N 1 3 257.309 -0.961 20 0 CBADHO CN1CCC[C@@](C)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001221241122 825159211 /nfs/dbraw/zinc/15/92/11/825159211.db2.gz OMRCXGRKAHFPMY-CIQGVGRVSA-N 1 3 266.389 -0.463 20 0 CBADHO CN1CCC[C@@](C)(NC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001221243510 825159902 /nfs/dbraw/zinc/15/99/02/825159902.db2.gz JUHSPHRUMHNWGI-OLZOCXBDSA-N 1 3 254.378 -0.332 20 0 CBADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221269559 825164830 /nfs/dbraw/zinc/16/48/30/825164830.db2.gz PZSNXKYHRZFYHB-VXGBXAGGSA-N 1 3 294.399 -0.355 20 0 CBADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221269559 825164833 /nfs/dbraw/zinc/16/48/33/825164833.db2.gz PZSNXKYHRZFYHB-VXGBXAGGSA-N 1 3 294.399 -0.355 20 0 CBADHO [NH3+]CCCCNC(=O)[C@H]1CNCc2ccnn2C1 ZINC001221342579 825174780 /nfs/dbraw/zinc/17/47/80/825174780.db2.gz CMLRFEBPWBTYPV-JTQLQIEISA-N 1 3 251.334 -0.542 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)NCCCC[NH3+] ZINC001221348899 825175370 /nfs/dbraw/zinc/17/53/70/825175370.db2.gz LICTVDCBMSLUIN-NSHDSACASA-N 1 3 258.366 -0.525 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365458 825176311 /nfs/dbraw/zinc/17/63/11/825176311.db2.gz DAXVFAUUDLWWLK-XNDJQWLSSA-N 1 3 288.367 -0.708 20 0 CBADHO COC1CC(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001221366622 825176799 /nfs/dbraw/zinc/17/67/99/825176799.db2.gz JIWLJNWAHHHLKD-NHNAUAITSA-N 1 3 255.362 -0.146 20 0 CBADHO COC1CC(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001221367993 825177204 /nfs/dbraw/zinc/17/72/04/825177204.db2.gz VMZMTOMDLQZVMN-ILDUYXDCSA-N 1 3 253.346 -0.663 20 0 CBADHO CCCC(C[NH3+])(CCC)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221371981 825179225 /nfs/dbraw/zinc/17/92/25/825179225.db2.gz JJTXNSWBZCWTHO-GFCCVEGCSA-N 1 3 298.431 -0.269 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@]3(N)CC[NH2+]C3)CC2)NC1 ZINC001221392307 825179693 /nfs/dbraw/zinc/17/96/93/825179693.db2.gz KZCFULOLONKXLS-HNNXBMFYSA-N 1 3 291.399 -0.755 20 0 CBADHO NC1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC001221397823 825181883 /nfs/dbraw/zinc/18/18/83/825181883.db2.gz NZHNGKMLBJJKIR-AWEZNQCLSA-N 1 3 288.395 -0.102 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221399568 825182212 /nfs/dbraw/zinc/18/22/12/825182212.db2.gz RFBMZXPAYGQFSO-IHRRRGAJSA-N 1 3 275.352 -0.603 20 0 CBADHO C[C@@]1(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCCOC1 ZINC001221403109 825182768 /nfs/dbraw/zinc/18/27/68/825182768.db2.gz QGKHNAUFLCQPAT-DGCLKSJQSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@]1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCCOC1 ZINC001221403108 825182884 /nfs/dbraw/zinc/18/28/84/825182884.db2.gz QGKHNAUFLCQPAT-AAEUAGOBSA-N 1 3 255.362 -0.001 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001221403826 825184615 /nfs/dbraw/zinc/18/46/15/825184615.db2.gz ZEVFPYWLXBEJAH-URLYPYJESA-N 1 3 253.346 -0.975 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221409060 825185840 /nfs/dbraw/zinc/18/58/40/825185840.db2.gz MBWDKWAGOMYOHB-SYTFOFBDSA-N 1 3 287.429 -0.413 20 0 CBADHO C([C@@H]1COCCN1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222085998 825199481 /nfs/dbraw/zinc/19/94/81/825199481.db2.gz QTFSWFVUSDUAMQ-GFCCVEGCSA-N 1 3 254.378 -0.998 20 0 CBADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)C1CC1 ZINC001226801171 825290755 /nfs/dbraw/zinc/29/07/55/825290755.db2.gz UJCPEIQLWXLUDF-BZPMIXESSA-N 1 3 296.415 -0.171 20 0 CBADHO CN(C)C(=O)CO[C@@H]1CN(CCCC[NH3+])[C@@H]2COC[C@H]12 ZINC001235485605 825498467 /nfs/dbraw/zinc/49/84/67/825498467.db2.gz KXGRIXWQHPOLSE-YNEHKIRRSA-N 1 3 285.388 -0.471 20 0 CBADHO [NH3+]CCN1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001235516490 825499466 /nfs/dbraw/zinc/49/94/66/825499466.db2.gz JKZHEGWLQYFQFO-RYUDHWBXSA-N 1 3 263.345 -0.427 20 0 CBADHO C[C@@H]([NH3+])CN1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001235597175 825507129 /nfs/dbraw/zinc/50/71/29/825507129.db2.gz OITMWTHLHNVXPG-LLVKDONJSA-N 1 3 279.388 -0.142 20 0 CBADHO NCCS(=O)(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001237559834 825538082 /nfs/dbraw/zinc/53/80/82/825538082.db2.gz NZWRWXFLZRCBKU-SNVBAGLBSA-N 1 3 286.357 -0.477 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001238074599 825546823 /nfs/dbraw/zinc/54/68/23/825546823.db2.gz KROSJGHKVUXRJO-ZETCQYMHSA-N 1 3 257.306 -0.891 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001238222595 825549765 /nfs/dbraw/zinc/54/97/65/825549765.db2.gz SOGYSPQVCFWJGP-SNVBAGLBSA-N 1 3 277.390 -0.977 20 0 CBADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cn[nH]c1 ZINC001238242729 825550609 /nfs/dbraw/zinc/55/06/09/825550609.db2.gz QEUNWRJMDLPZGT-JTQLQIEISA-N 1 3 299.400 -0.438 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238342089 825552428 /nfs/dbraw/zinc/55/24/28/825552428.db2.gz GDNBJIQEBGKZLI-QWRGUYRKSA-N 1 3 277.390 -0.977 20 0 CBADHO CCCC[N@H+](C)CCCNS(=O)(=O)CCN ZINC001238378984 825553369 /nfs/dbraw/zinc/55/33/69/825553369.db2.gz MVYOZJAUWOGANT-UHFFFAOYSA-N 1 3 251.396 -0.014 20 0 CBADHO CCCC[N@@H+](C)CCCNS(=O)(=O)CCN ZINC001238378984 825553375 /nfs/dbraw/zinc/55/33/75/825553375.db2.gz MVYOZJAUWOGANT-UHFFFAOYSA-N 1 3 251.396 -0.014 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001238748987 825563271 /nfs/dbraw/zinc/56/32/71/825563271.db2.gz ROEXPZDWKBDEOI-NEPJUHHUSA-N 1 3 284.385 -0.390 20 0 CBADHO NCCS(=O)(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001238851898 825567977 /nfs/dbraw/zinc/56/79/77/825567977.db2.gz HJZYHZSJGAQGKF-UHFFFAOYSA-N 1 3 298.412 -0.419 20 0 CBADHO O=S(=O)(NC[C@@H]1CCNC[C@@H]1F)C1CC[NH2+]CC1 ZINC001238891138 825570047 /nfs/dbraw/zinc/57/00/47/825570047.db2.gz JXGYJIMAKJDSTA-ONGXEEELSA-N 1 3 279.381 -0.395 20 0 CBADHO C[NH+](C)CC1CCC(NS(=O)(=O)CCN)CC1 ZINC001238911590 825571337 /nfs/dbraw/zinc/57/13/37/825571337.db2.gz UPYLKPUARQPHLK-UHFFFAOYSA-N 1 3 263.407 -0.015 20 0 CBADHO NCCS(=O)(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001239045966 825583835 /nfs/dbraw/zinc/58/38/35/825583835.db2.gz KAENNJYXKROCFI-LLVKDONJSA-N 1 3 261.391 -0.117 20 0 CBADHO COC(=O)CCN(CCC[NH+](C)C)S(=O)(=O)CCN ZINC001239083662 825584988 /nfs/dbraw/zinc/58/49/88/825584988.db2.gz BAXJTVZBBSMNRX-UHFFFAOYSA-N 1 3 295.405 -0.908 20 0 CBADHO NCCS(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC001239153984 825595686 /nfs/dbraw/zinc/59/56/86/825595686.db2.gz VKYMJOVAWJONKS-UHFFFAOYSA-N 1 3 257.359 -0.264 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001246006070 825620380 /nfs/dbraw/zinc/62/03/80/825620380.db2.gz GVIWBNZRSYQENK-OCCSQVGLSA-N 1 3 295.383 -0.001 20 0 CBADHO CC(C)OC[C@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246027927 825625541 /nfs/dbraw/zinc/62/55/41/825625541.db2.gz YXQPSVPBMUQPTM-CHWSQXEVSA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246027927 825625550 /nfs/dbraw/zinc/62/55/50/825625550.db2.gz YXQPSVPBMUQPTM-CHWSQXEVSA-N 1 3 260.378 -0.052 20 0 CBADHO CC(C)OC[C@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246027927 825625554 /nfs/dbraw/zinc/62/55/54/825625554.db2.gz YXQPSVPBMUQPTM-CHWSQXEVSA-N 1 3 260.378 -0.052 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001246048809 825629305 /nfs/dbraw/zinc/62/93/05/825629305.db2.gz MIWAHHMLBAMZPM-MNOVXSKESA-N 1 3 273.377 -0.818 20 0 CBADHO CC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246082792 825633795 /nfs/dbraw/zinc/63/37/95/825633795.db2.gz MVUIIUHUZJPBSG-GRYCIOLGSA-N 1 3 259.325 -0.741 20 0 CBADHO CC[C@@]1(C(=O)OC)C[C@H](N[C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246082942 825633900 /nfs/dbraw/zinc/63/39/00/825633900.db2.gz ZKYROZDRKRWEMS-YDHLFZDLSA-N 1 3 298.431 -0.447 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@@H]2CC[NH2+][C@@H]2C)CN1 ZINC001246093833 825635188 /nfs/dbraw/zinc/63/51/88/825635188.db2.gz QJECPZMCZQPLOH-RHYQMDGZSA-N 1 3 255.362 -0.132 20 0 CBADHO C[C@H]1CC[C@@H](NCCC(=O)N2CCNCC2)C[NH2+]1 ZINC001246107202 825635711 /nfs/dbraw/zinc/63/57/11/825635711.db2.gz GTLNXINTYJWILF-NWDGAFQWSA-N 1 3 254.378 -0.462 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@H]2C[NH2+]C[C@H]2C)CN1 ZINC001246112985 825635983 /nfs/dbraw/zinc/63/59/83/825635983.db2.gz WBQJNVSWCSYFJS-KKOKHZNYSA-N 1 3 255.362 -0.275 20 0 CBADHO C[C@@H]1CC[C@H](NCCC(=O)N2CCNCC2)C[NH2+]1 ZINC001246107170 825636138 /nfs/dbraw/zinc/63/61/38/825636138.db2.gz GTLNXINTYJWILF-NEPJUHHUSA-N 1 3 254.378 -0.462 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129404 825637400 /nfs/dbraw/zinc/63/74/00/825637400.db2.gz CRNGSJQDEIRVII-TUAOUCFPSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246147289 825641133 /nfs/dbraw/zinc/64/11/33/825641133.db2.gz XJEIGEBYXKPDQQ-BNDIWNMDSA-N 1 3 267.373 -0.132 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145298 825641542 /nfs/dbraw/zinc/64/15/42/825641542.db2.gz MEDWIQIJWSWXFW-AGIUHOORSA-N 1 3 296.415 -0.646 20 0 CBADHO O=c1[nH][n-]cc1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173252 825644266 /nfs/dbraw/zinc/64/42/66/825644266.db2.gz KRMUGLRAPMBNNA-MNOVXSKESA-N 1 3 265.361 -0.818 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246166440 825644769 /nfs/dbraw/zinc/64/47/69/825644769.db2.gz AEXKASPZAFKHQA-WOPDTQHZSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)CC2)CN1 ZINC001246182807 825646635 /nfs/dbraw/zinc/64/66/35/825646635.db2.gz AAEABULWUNIFQB-SRVKXCTJSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C1CCNC[C@@H]1NC1CCC2(CC1)C[NH2+]CCO2 ZINC001246288177 825660548 /nfs/dbraw/zinc/66/05/48/825660548.db2.gz HPUZOSZWSMFQQK-LXVYMNJGSA-N 1 3 267.373 -0.192 20 0 CBADHO COC(=O)N1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246403625 825670013 /nfs/dbraw/zinc/67/00/13/825670013.db2.gz GVDHUFQSLQCGLY-NSHDSACASA-N 1 3 286.376 -0.210 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246420736 825672610 /nfs/dbraw/zinc/67/26/10/825672610.db2.gz ZWLWRMZUPMQYJA-UTUOFQBUSA-N 1 3 282.388 -0.288 20 0 CBADHO CC[C@H](N[C@@H]1CC[C@@H](C(=O)OC)NC1)C1C[NH2+]C1 ZINC001246519631 825679485 /nfs/dbraw/zinc/67/94/85/825679485.db2.gz SWUIWFPGVLYJAS-WOPDTQHZSA-N 1 3 255.362 -0.132 20 0 CBADHO [NH3+]CCCC[C@H](N[C@H]1CNC(=O)C1)C(=O)N1CCCC1 ZINC001246518609 825679967 /nfs/dbraw/zinc/67/99/67/825679967.db2.gz IHFXVVVYBMRZFV-NEPJUHHUSA-N 1 3 282.388 -0.416 20 0 CBADHO c1cnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246531522 825681962 /nfs/dbraw/zinc/68/19/62/825681962.db2.gz ULHNCWZXZXAJNL-ZDUSSCGKSA-N 1 3 288.399 -0.307 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246546987 825682744 /nfs/dbraw/zinc/68/27/44/825682744.db2.gz BPSKRAGGZBKEGZ-OBJOEFQTSA-N 1 3 285.388 -0.544 20 0 CBADHO CCOC(=O)CN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246540861 825682798 /nfs/dbraw/zinc/68/27/98/825682798.db2.gz UBBYTNGLAIEKOY-ZDUSSCGKSA-N 1 3 296.415 -0.739 20 0 CBADHO [NH3+]C[C@H]1CN(C2CCN(c3ncccn3)CC2)C[C@@H]1O ZINC001246578730 825689095 /nfs/dbraw/zinc/68/90/95/825689095.db2.gz HQUJHBGGOIMNBY-AAEUAGOBSA-N 1 3 277.372 -0.303 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585194 825690069 /nfs/dbraw/zinc/69/00/69/825690069.db2.gz OVOADNQPNRZOBA-QCNOEVLYSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585194 825690073 /nfs/dbraw/zinc/69/00/73/825690073.db2.gz OVOADNQPNRZOBA-QCNOEVLYSA-N 1 3 266.349 -0.592 20 0 CBADHO CCN(CC)C(=O)C[C@H](C)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586194 825690311 /nfs/dbraw/zinc/69/03/11/825690311.db2.gz RMOLEUWBMQXPBJ-SRVKXCTJSA-N 1 3 257.378 -0.115 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583165 825691245 /nfs/dbraw/zinc/69/12/45/825691245.db2.gz ILHKFOFJUJUYTE-QCNOEVLYSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@H]1O ZINC001246583165 825691249 /nfs/dbraw/zinc/69/12/49/825691249.db2.gz ILHKFOFJUJUYTE-QCNOEVLYSA-N 1 3 253.346 -0.609 20 0 CBADHO CCOC(=O)[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1=O ZINC001246590797 825692451 /nfs/dbraw/zinc/69/24/51/825692451.db2.gz AGMRMPVFEJKYDV-VXGBXAGGSA-N 1 3 295.383 -0.466 20 0 CBADHO C1C[NH2+]C[C@@H](N2CCOC[C@]3(CNCCO3)C2)C1 ZINC001246603047 825693917 /nfs/dbraw/zinc/69/39/17/825693917.db2.gz LYMGSETVTBUSTE-STQMWFEESA-N 1 3 255.362 -0.571 20 0 CBADHO C[C@@H]1C[C@H](N2CCOC[C@@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246598509 825694055 /nfs/dbraw/zinc/69/40/55/825694055.db2.gz AUMFCLWQHOAAMR-MGPQQGTHSA-N 1 3 269.389 -0.182 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1[C@H]1CCCC[NH2+]C1 ZINC001246598817 825694371 /nfs/dbraw/zinc/69/43/71/825694371.db2.gz ORBLNFIUXKUMSK-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246600334 825694486 /nfs/dbraw/zinc/69/44/86/825694486.db2.gz GDHUANUZIDZRMQ-STQMWFEESA-N 1 3 297.399 -0.266 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246600683 825694494 /nfs/dbraw/zinc/69/44/94/825694494.db2.gz RJMDHZRTZONOAK-TUAOUCFPSA-N 1 3 255.362 -0.036 20 0 CBADHO C1CO[C@]2(CN1)COCCN(C1CC[NH2+]CC1)C2 ZINC001246607956 825695630 /nfs/dbraw/zinc/69/56/30/825695630.db2.gz UVMKNUYWQYSECZ-ZDUSSCGKSA-N 1 3 255.362 -0.571 20 0 CBADHO COC(=O)CC1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799284 825713028 /nfs/dbraw/zinc/71/30/28/825713028.db2.gz XQLKXIYHJZFTGN-NSHDSACASA-N 1 3 253.346 -0.425 20 0 CBADHO COC(=O)[C@H](N)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246861756 825724390 /nfs/dbraw/zinc/72/43/90/825724390.db2.gz DGLHXTXOTJIPAJ-GFCCVEGCSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N(C)CCN2CC[NH2+]CC2)CN1 ZINC001246869157 825725238 /nfs/dbraw/zinc/72/52/38/825725238.db2.gz FKKMONKEHTVIDD-STQMWFEESA-N 1 3 284.404 -0.883 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)N2 ZINC001246910178 825730498 /nfs/dbraw/zinc/73/04/98/825730498.db2.gz ZWGCHKJPXSUWBP-ARHMULMVSA-N 1 3 269.345 -0.920 20 0 CBADHO C[NH+](C)CCC(C)(C)NC[C@H](O)CN1CCOCC1 ZINC001251039099 825769759 /nfs/dbraw/zinc/76/97/59/825769759.db2.gz BZCUMOJSXKTNJX-ZDUSSCGKSA-N 1 3 273.421 -0.001 20 0 CBADHO CN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CO)CC1 ZINC001252070037 825828470 /nfs/dbraw/zinc/82/84/70/825828470.db2.gz MYTFDZKXBAGAPR-INIZCTEOSA-N 1 3 293.411 -0.123 20 0 CBADHO CC(C)OC[C@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252692849 825883673 /nfs/dbraw/zinc/88/36/73/825883673.db2.gz HVYCHILKWMCVLM-CQSZACIVSA-N 1 3 273.421 -0.001 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252828644 825891764 /nfs/dbraw/zinc/89/17/64/825891764.db2.gz KZXJWRIAWGHIHP-ZDUSSCGKSA-N 1 3 259.394 -0.391 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001253175358 825902667 /nfs/dbraw/zinc/90/26/67/825902667.db2.gz JCKBREMDNPETIU-LLVKDONJSA-N 1 3 258.366 -0.696 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001253210841 825906522 /nfs/dbraw/zinc/90/65/22/825906522.db2.gz PDNVBJYVVOOMIG-STQMWFEESA-N 1 3 257.378 -0.101 20 0 CBADHO CN(C)C[C@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCO1 ZINC001253390424 825912457 /nfs/dbraw/zinc/91/24/57/825912457.db2.gz SSPGRRFMFAWWHW-OLZOCXBDSA-N 1 3 273.421 -0.002 20 0 CBADHO CC(=O)N1CCC(N2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001254430855 825962866 /nfs/dbraw/zinc/96/28/66/825962866.db2.gz CYDYMPRJIPRZMF-UHFFFAOYSA-N 1 3 280.416 -0.071 20 0 CBADHO C[N@@H+]1CCC[C@H](N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504050 825963893 /nfs/dbraw/zinc/96/38/93/825963893.db2.gz RTEOBOIVHVONFN-MLGHIDQZSA-N 1 3 258.362 -0.837 20 0 CBADHO C[N@H+]1CCC[C@H](N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001254504050 825963896 /nfs/dbraw/zinc/96/38/96/825963896.db2.gz RTEOBOIVHVONFN-MLGHIDQZSA-N 1 3 258.362 -0.837 20 0 CBADHO C[N@@H+]1CCC[C@@H](NCCN2CCS(=O)(=O)CC2)CC1 ZINC001254508667 825965837 /nfs/dbraw/zinc/96/58/37/825965837.db2.gz KXGBBACELWWORI-CYBMUJFWSA-N 1 3 289.445 -0.209 20 0 CBADHO C[N@H+]1CCC[C@@H](NCCN2CCS(=O)(=O)CC2)CC1 ZINC001254508667 825965839 /nfs/dbraw/zinc/96/58/39/825965839.db2.gz KXGBBACELWWORI-CYBMUJFWSA-N 1 3 289.445 -0.209 20 0 CBADHO CN1CCC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001254508667 825965845 /nfs/dbraw/zinc/96/58/45/825965845.db2.gz KXGBBACELWWORI-CYBMUJFWSA-N 1 3 289.445 -0.209 20 0 CBADHO [NH3+]C[C@]1(NC2CCS(=O)(=O)CC2)CN2CCC1CC2 ZINC001256379762 826020223 /nfs/dbraw/zinc/02/02/23/826020223.db2.gz BTXMCJUXMMKTBK-ZDUSSCGKSA-N 1 3 287.429 -0.424 20 0 CBADHO O=C1C[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C(=O)N1 ZINC001256684212 826030083 /nfs/dbraw/zinc/03/00/83/826030083.db2.gz OPQXGXDSXFCTSW-HIFPTAJRSA-N 1 3 295.383 -0.118 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC001261383557 826508594 /nfs/dbraw/zinc/50/85/94/826508594.db2.gz OXSABSUCIDXFTJ-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC001261460261 826516781 /nfs/dbraw/zinc/51/67/81/826516781.db2.gz XQVPVXUKRCUYNO-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO CNC(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261515617 826530779 /nfs/dbraw/zinc/53/07/79/826530779.db2.gz NTTPXWFWIAVBON-QJPTWQEYSA-N 1 3 255.362 -0.049 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001262007912 826618579 /nfs/dbraw/zinc/61/85/79/826618579.db2.gz VTUJVRAWMMOLFY-UHFFFAOYSA-N 1 3 265.361 -0.002 20 0 CBADHO CC(C)([NH3+])CCNC(=O)N1CCOC2(CNC2)C1 ZINC001262098728 826636593 /nfs/dbraw/zinc/63/65/93/826636593.db2.gz QEPCEDMUCMDJDH-UHFFFAOYSA-N 1 3 256.350 -0.502 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001262583877 826712650 /nfs/dbraw/zinc/71/26/50/826712650.db2.gz LBCVVZJRHUIZOQ-UONOGXRCSA-N 1 3 296.415 -0.021 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001263212659 826753817 /nfs/dbraw/zinc/75/38/17/826753817.db2.gz ZKOKBVTUIXFTMC-OIBJUYFYSA-N 1 3 251.277 -0.719 20 0 CBADHO O=C(C[C@@H]1COCCN1)NCCCCCN1CC[NH2+]CC1 ZINC001263207982 826753855 /nfs/dbraw/zinc/75/38/55/826753855.db2.gz XJFFJKLKYMHFCI-CQSZACIVSA-N 1 3 298.431 -0.443 20 0 CBADHO C[C@@](N)(C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001263211220 826754091 /nfs/dbraw/zinc/75/40/91/826754091.db2.gz JISBXRVGKKUAKF-HNNXBMFYSA-N 1 3 276.384 -0.118 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001265573189 826905320 /nfs/dbraw/zinc/90/53/20/826905320.db2.gz XXDSAQKFOMVPLF-UTUOFQBUSA-N 1 3 257.378 -0.056 20 0 CBADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001265851493 826929111 /nfs/dbraw/zinc/92/91/11/826929111.db2.gz OOFPEOMHRKPAQY-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037422 826948435 /nfs/dbraw/zinc/94/84/35/826948435.db2.gz RFGYXMKKPYEOKR-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037421 826949000 /nfs/dbraw/zinc/94/90/00/826949000.db2.gz RFGYXMKKPYEOKR-OLZOCXBDSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H](O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339654 826986229 /nfs/dbraw/zinc/98/62/29/826986229.db2.gz VDRNWOAAGZRYBJ-NEPJUHHUSA-N 1 3 269.389 -0.101 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266565654 827021962 /nfs/dbraw/zinc/02/19/62/827021962.db2.gz IINPTTPHLIWGJX-NSHDSACASA-N 1 3 268.361 -0.981 20 0 CBADHO CN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001266659853 827042871 /nfs/dbraw/zinc/04/28/71/827042871.db2.gz IRAHZQLAUIRPOB-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266731196 827059302 /nfs/dbraw/zinc/05/93/02/827059302.db2.gz UZIXMVFASNLJJC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266731196 827059312 /nfs/dbraw/zinc/05/93/12/827059312.db2.gz UZIXMVFASNLJJC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267006698 827106054 /nfs/dbraw/zinc/10/60/54/827106054.db2.gz QEFXFBKQFRGJGF-WDEREUQCSA-N 1 3 268.361 -0.983 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267026950 827108405 /nfs/dbraw/zinc/10/84/05/827108405.db2.gz QFPGZPFDPOIPII-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN1CCCC1 ZINC001267081098 827112704 /nfs/dbraw/zinc/11/27/04/827112704.db2.gz BZEAGQYSUHBSKU-LLVKDONJSA-N 1 3 268.361 -0.981 20 0 CBADHO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN1CCCC1 ZINC001267081099 827113176 /nfs/dbraw/zinc/11/31/76/827113176.db2.gz BZEAGQYSUHBSKU-NSHDSACASA-N 1 3 268.361 -0.981 20 0 CBADHO C[NH+]1CCC(C(=O)NCCN(CCO)C2CC2)CC1 ZINC001267332406 827150873 /nfs/dbraw/zinc/15/08/73/827150873.db2.gz LOXBOJPVQZSIQK-UHFFFAOYSA-N 1 3 269.389 -0.099 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C ZINC001267379649 827162146 /nfs/dbraw/zinc/16/21/46/827162146.db2.gz BHWHEBQZMSLESX-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C ZINC001267379649 827162150 /nfs/dbraw/zinc/16/21/50/827162150.db2.gz BHWHEBQZMSLESX-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCn2cncn2)CCC1 ZINC001267383841 827163024 /nfs/dbraw/zinc/16/30/24/827163024.db2.gz ARVFHCAHDHDUKU-UHFFFAOYSA-N 1 3 294.403 -0.190 20 0 CBADHO CCCNC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422851 827168087 /nfs/dbraw/zinc/16/80/87/827168087.db2.gz QUKZXUQRQHLYDM-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CN(CCNCCS(C)(=O)=O)C(=O)CC[NH+](C)C ZINC001267424287 827169788 /nfs/dbraw/zinc/16/97/88/827169788.db2.gz JMLNLMBHPWBKIP-UHFFFAOYSA-N 1 3 279.406 -0.969 20 0 CBADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469050 827175067 /nfs/dbraw/zinc/17/50/67/827175067.db2.gz GMWIWRMHXGVYSW-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469050 827175071 /nfs/dbraw/zinc/17/50/71/827175071.db2.gz GMWIWRMHXGVYSW-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO O=C(NC[C@@H](O)CNCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001268306355 827290432 /nfs/dbraw/zinc/29/04/32/827290432.db2.gz AXLVQBSJSDPRDO-RYUDHWBXSA-N 1 3 273.352 -0.636 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562469 827365304 /nfs/dbraw/zinc/36/53/04/827365304.db2.gz HMTPUKMYPZSXJM-JDGPPOGSSA-N 1 3 294.399 -0.249 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001268581736 827370414 /nfs/dbraw/zinc/37/04/14/827370414.db2.gz JZUUBVFVYUHRBN-DOGVGXBMSA-N 1 3 282.388 -0.536 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584263 827370766 /nfs/dbraw/zinc/37/07/66/827370766.db2.gz XXVPNBFHXFDAEZ-DFIDTIBPSA-N 1 3 296.415 -0.148 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584263 827370778 /nfs/dbraw/zinc/37/07/78/827370778.db2.gz XXVPNBFHXFDAEZ-DFIDTIBPSA-N 1 3 296.415 -0.148 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001268588414 827373440 /nfs/dbraw/zinc/37/34/40/827373440.db2.gz RILBCEDWKMMFFN-UFFNRZRYSA-N 1 3 296.371 -0.995 20 0 CBADHO C[C@@H](O)C[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001268625762 827383704 /nfs/dbraw/zinc/38/37/04/827383704.db2.gz SIFMDNFVTUYZHH-ZZKXABKFSA-N 1 3 255.362 -0.275 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001268717120 827410214 /nfs/dbraw/zinc/41/02/14/827410214.db2.gz RCHOBWICPSSDNM-VHSXEESVSA-N 1 3 258.366 -0.705 20 0 CBADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCO ZINC001269498210 827515033 /nfs/dbraw/zinc/51/50/33/827515033.db2.gz PZPNKTPGRAKTHD-JTQLQIEISA-N 1 3 254.334 -0.263 20 0 CBADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001269544337 827517973 /nfs/dbraw/zinc/51/79/73/827517973.db2.gz BYKCXOYCVMLPPP-NSHDSACASA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@]1(C[NH2+]CCO)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001270805969 827597896 /nfs/dbraw/zinc/59/78/96/827597896.db2.gz NCXRSSKRIRDFBG-ZDUSSCGKSA-N 1 3 266.345 -0.227 20 0 CBADHO CCOCCN1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271185402 827675107 /nfs/dbraw/zinc/67/51/07/827675107.db2.gz YDVXRSJLWKUSOF-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCCF ZINC001272444553 827798753 /nfs/dbraw/zinc/79/87/53/827798753.db2.gz VXQJGMZRDUAJJM-VXGBXAGGSA-N 1 3 275.368 -0.103 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCCF ZINC001272444553 827798758 /nfs/dbraw/zinc/79/87/58/827798758.db2.gz VXQJGMZRDUAJJM-VXGBXAGGSA-N 1 3 275.368 -0.103 20 0 CBADHO CN(CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001272457479 827801909 /nfs/dbraw/zinc/80/19/09/827801909.db2.gz QOMBMKAHWYRBFI-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001272616811 827827546 /nfs/dbraw/zinc/82/75/46/827827546.db2.gz PQLFCSPGOZVNLC-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H](C)O)N(C)C ZINC001274512529 827995945 /nfs/dbraw/zinc/99/59/45/827995945.db2.gz ZUTCERPDOVZASN-UXFRKABBSA-N 1 3 257.378 -0.031 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001274996230 828049624 /nfs/dbraw/zinc/04/96/24/828049624.db2.gz YKKICCVEYDHPMC-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO C[NH+](C)CCN1C[C@H]2CN(C[C@H]3CCOC3)C[C@@H](C1)O2 ZINC001275172787 828062770 /nfs/dbraw/zinc/06/27/70/828062770.db2.gz VRCBHELQPWJXOO-KFWWJZLASA-N 1 3 283.416 -0.031 20 0 CBADHO C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001275180422 828063825 /nfs/dbraw/zinc/06/38/25/828063825.db2.gz XDXQMXGCCQDBBV-LBPRGKRZSA-N 1 3 294.403 -0.143 20 0 CBADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC[NH+](C)C ZINC001275292401 828076958 /nfs/dbraw/zinc/07/69/58/828076958.db2.gz VTPBRCCJTYACIV-NSHDSACASA-N 1 3 267.377 -0.034 20 0 CBADHO COC(=O)[C@H](C)CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276524215 828148198 /nfs/dbraw/zinc/14/81/98/828148198.db2.gz YXINRDKMNKHGHO-RDBSUJKOSA-N 1 3 299.415 -0.258 20 0 CBADHO COC(=O)[C@@H](C)CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276524212 828148350 /nfs/dbraw/zinc/14/83/50/828148350.db2.gz YXINRDKMNKHGHO-IHRRRGAJSA-N 1 3 299.415 -0.258 20 0 CBADHO C[C@H](CCC[NH2+]CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001277299119 828181655 /nfs/dbraw/zinc/18/16/55/828181655.db2.gz MJNACKCGTNLZPG-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(=O)NCCN1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001277910833 828217853 /nfs/dbraw/zinc/21/78/53/828217853.db2.gz XIZKLJQKISHBHK-UONOGXRCSA-N 1 3 268.405 -0.310 20 0 CBADHO CC(=O)NCCN1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001277910833 828217858 /nfs/dbraw/zinc/21/78/58/828217858.db2.gz XIZKLJQKISHBHK-UONOGXRCSA-N 1 3 268.405 -0.310 20 0 CBADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277960075 828222098 /nfs/dbraw/zinc/22/20/98/828222098.db2.gz YXRMUNKYJCAQOP-SRVKXCTJSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277960075 828222104 /nfs/dbraw/zinc/22/21/04/828222104.db2.gz YXRMUNKYJCAQOP-SRVKXCTJSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277960074 828222727 /nfs/dbraw/zinc/22/27/27/828222727.db2.gz YXRMUNKYJCAQOP-QJPTWQEYSA-N 1 3 267.373 -0.491 20 0 CBADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277960074 828222732 /nfs/dbraw/zinc/22/27/32/828222732.db2.gz YXRMUNKYJCAQOP-QJPTWQEYSA-N 1 3 267.373 -0.491 20 0 CBADHO C[NH+]1CCC(C)(CN2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001278020896 828232158 /nfs/dbraw/zinc/23/21/58/828232158.db2.gz GRWSTLNFDWOXMG-WDEREUQCSA-N 1 3 280.372 -0.110 20 0 CBADHO CCN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509661 828328100 /nfs/dbraw/zinc/32/81/00/828328100.db2.gz LYGAPEHXPJKBIP-ZDUSSCGKSA-N 1 3 257.378 -0.099 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC001347181863 890427869 /nfs/dbraw/zinc/42/78/69/890427869.db2.gz OXBQKCJRJVHGJS-GMXVVIOVSA-N 1 3 253.346 -0.567 20 0 CBADHO C[NH+](C)CCC(=O)NCCNC(=O)CN1CCC(C)(C)C1 ZINC001349549418 890836653 /nfs/dbraw/zinc/83/66/53/890836653.db2.gz ABRMSDBBOHGQHD-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329936087 886286178 /nfs/dbraw/zinc/28/61/78/886286178.db2.gz CIBIWBGLBSTSIO-BQBZGAKWSA-N 1 3 253.306 -0.760 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001330859104 886598673 /nfs/dbraw/zinc/59/86/73/886598673.db2.gz BCVSOJBTXDUQGO-QWRGUYRKSA-N 1 3 282.388 -0.394 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC001331168071 886708487 /nfs/dbraw/zinc/70/84/87/886708487.db2.gz ZKEROQYBFUAJJO-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001332815433 887438387 /nfs/dbraw/zinc/43/83/87/887438387.db2.gz IFKMUTHSGIFGLQ-VXGBXAGGSA-N 1 3 269.349 -0.619 20 0 CBADHO COC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001332815433 887438392 /nfs/dbraw/zinc/43/83/92/887438392.db2.gz IFKMUTHSGIFGLQ-VXGBXAGGSA-N 1 3 269.349 -0.619 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001332976548 887492019 /nfs/dbraw/zinc/49/20/19/887492019.db2.gz PSOQBTTZLFXPII-SNVBAGLBSA-N 1 3 263.345 -0.249 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001334231006 887899284 /nfs/dbraw/zinc/89/92/84/887899284.db2.gz POCMEGZNWZNXIM-UMNHJUIQSA-N 1 3 256.350 -0.911 20 0 CBADHO O[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279038 888734602 /nfs/dbraw/zinc/73/46/02/888734602.db2.gz YXEIHHRUGXQMMY-NDBYEHHHSA-N 1 3 256.346 -0.818 20 0 CBADHO C[C@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CCN1 ZINC001338686050 889192196 /nfs/dbraw/zinc/19/21/96/889192196.db2.gz AMGFRPQUKOFUCI-NSHDSACASA-N 1 3 269.393 -0.587 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@H]2CNCCN2C)C[C@H]1C[NH3+] ZINC001340334895 889422423 /nfs/dbraw/zinc/42/24/23/889422423.db2.gz UWBIRJQXCOMVDN-IJLUTSLNSA-N 1 3 254.378 -0.667 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001340792657 889487139 /nfs/dbraw/zinc/48/71/39/889487139.db2.gz WOYUARHULGNWBS-LLVKDONJSA-N 1 3 255.362 -0.172 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2COC3(CNC3)C2)C1 ZINC001340739485 889475935 /nfs/dbraw/zinc/47/59/35/889475935.db2.gz UFHZSTYYDOIXQR-MPXOCVNLSA-N 1 3 251.330 -0.639 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001340854259 889498574 /nfs/dbraw/zinc/49/85/74/889498574.db2.gz PYUNLROBVJKQBL-FVCCEPFGSA-N 1 3 267.373 -0.321 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C(C)(C)O ZINC001341571525 889623181 /nfs/dbraw/zinc/62/31/81/889623181.db2.gz PTJMNYAWHDDDFR-WDEREUQCSA-N 1 3 257.378 -0.115 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C(C)(C)O ZINC001341571525 889623188 /nfs/dbraw/zinc/62/31/88/889623188.db2.gz PTJMNYAWHDDDFR-WDEREUQCSA-N 1 3 257.378 -0.115 20 0 CBADHO C[C@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001341695508 889648358 /nfs/dbraw/zinc/64/83/58/889648358.db2.gz GNLJTKJRGXCSAH-YRGRVCCFSA-N 1 3 267.373 -0.300 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC001342256556 889740535 /nfs/dbraw/zinc/74/05/35/889740535.db2.gz RWIPHNDRQHXIEL-STQMWFEESA-N 1 3 265.357 -0.405 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC001342567343 889792654 /nfs/dbraw/zinc/79/26/54/889792654.db2.gz ANTLHHSRMHKWFR-GMTAPVOTSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCN1C ZINC001342571782 889795739 /nfs/dbraw/zinc/79/57/39/889795739.db2.gz YMVUHMGICRPZBA-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001343486932 889918967 /nfs/dbraw/zinc/91/89/67/889918967.db2.gz ORWHGPRVZGAPAV-JSGCOSHPSA-N 1 3 266.389 -0.508 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343484929 889919121 /nfs/dbraw/zinc/91/91/21/889919121.db2.gz BHVZVMCJFAKVCO-TUAOUCFPSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(N)=O ZINC001444377285 912438551 /nfs/dbraw/zinc/43/85/51/912438551.db2.gz OZUZHSVNRSCUNF-WDEREUQCSA-N 1 3 270.377 -0.845 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(N)=O ZINC001444377284 912439649 /nfs/dbraw/zinc/43/96/49/912439649.db2.gz OZUZHSVNRSCUNF-QWRGUYRKSA-N 1 3 270.377 -0.845 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444675179 912490089 /nfs/dbraw/zinc/49/00/89/912490089.db2.gz WZCVODXNQTWFSP-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC001344876494 890078649 /nfs/dbraw/zinc/07/86/49/890078649.db2.gz GERFNURHPZMPRT-KQXIARHKSA-N 1 3 253.346 -0.569 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001445200540 912599291 /nfs/dbraw/zinc/59/92/91/912599291.db2.gz UBPQEMCDNXFBNS-RYUDHWBXSA-N 1 3 287.404 -0.428 20 0 CBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001445434187 912667080 /nfs/dbraw/zinc/66/70/80/912667080.db2.gz FOCJWEORKXVDSO-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001446255351 912852149 /nfs/dbraw/zinc/85/21/49/912852149.db2.gz CWRLRRLFIIANRA-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001446255351 912852162 /nfs/dbraw/zinc/85/21/62/912852162.db2.gz CWRLRRLFIIANRA-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001188158696 884720638 /nfs/dbraw/zinc/72/06/38/884720638.db2.gz VDGBOBVIDWPAJF-CHWSQXEVSA-N 1 3 298.431 -0.006 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001188158333 884721550 /nfs/dbraw/zinc/72/15/50/884721550.db2.gz LLSJEPZSXQCXSK-NWDGAFQWSA-N 1 3 257.378 -0.102 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001211354143 884770509 /nfs/dbraw/zinc/77/05/09/884770509.db2.gz IZRSWCCOBOEIQU-NWDGAFQWSA-N 1 3 285.388 -0.062 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001211354144 884772791 /nfs/dbraw/zinc/77/27/91/884772791.db2.gz IZRSWCCOBOEIQU-RYUDHWBXSA-N 1 3 285.388 -0.062 20 0 CBADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)cc1 ZINC001219386611 884790929 /nfs/dbraw/zinc/79/09/29/884790929.db2.gz NXMVANHAMZJAQU-ZJUUUORDSA-N 1 3 289.295 -0.585 20 0 CBADHO NC(=O)Cn1cc(CNCCCCCC[NH3+])nn1 ZINC001326202518 884941429 /nfs/dbraw/zinc/94/14/29/884941429.db2.gz RDCPWIQDAXUWCU-UHFFFAOYSA-N 1 3 254.338 -0.628 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NCCCCN1CCN(C)CC1 ZINC001326297574 884975218 /nfs/dbraw/zinc/97/52/18/884975218.db2.gz CJOXACQBDZZSRU-ZDUSSCGKSA-N 1 3 270.421 -0.014 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001446458694 912889659 /nfs/dbraw/zinc/88/96/59/912889659.db2.gz GDYDTDDHLJZBMF-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001446465395 912890760 /nfs/dbraw/zinc/89/07/60/912890760.db2.gz YUVWVORENOYUIJ-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO NC(=O)CCNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001326600303 885080105 /nfs/dbraw/zinc/08/01/05/885080105.db2.gz VKGLSHQUUVTLJQ-NWDGAFQWSA-N 1 3 255.362 -0.171 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001326969486 885207584 /nfs/dbraw/zinc/20/75/84/885207584.db2.gz QEXVTYDUUNEAKC-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001326969486 885207600 /nfs/dbraw/zinc/20/76/00/885207600.db2.gz QEXVTYDUUNEAKC-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC001327230360 885294902 /nfs/dbraw/zinc/29/49/02/885294902.db2.gz HOWLOGPGTADDMR-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3CNCCO3)CC2)C1 ZINC001327562203 885408228 /nfs/dbraw/zinc/40/82/28/885408228.db2.gz JXFBYLVKPPUMJK-LSDHHAIUSA-N 1 3 282.432 -0.313 20 0 CBADHO C[N@H+]1CCC[C@H](N2CCN(C[C@H]3CNCCO3)CC2)C1 ZINC001327562203 885408239 /nfs/dbraw/zinc/40/82/39/885408239.db2.gz JXFBYLVKPPUMJK-LSDHHAIUSA-N 1 3 282.432 -0.313 20 0 CBADHO C[C@H](C[NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327579055 885413110 /nfs/dbraw/zinc/41/31/10/885413110.db2.gz MGEVMTRLQZRDIS-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]([NH3+])C2CCC2)n1 ZINC001327578653 885413314 /nfs/dbraw/zinc/41/33/14/885413314.db2.gz JPUZXBQGWYPFRU-LLVKDONJSA-N 1 3 265.317 -0.616 20 0 CBADHO CC(C)C[NH2+]CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327582837 885414714 /nfs/dbraw/zinc/41/47/14/885414714.db2.gz HXDLVBKQNZCLTF-UHFFFAOYSA-N 1 3 267.333 -0.497 20 0 CBADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CCC1 ZINC001446758087 912938463 /nfs/dbraw/zinc/93/84/63/912938463.db2.gz MVRNWFKPGPGCSB-AWEZNQCLSA-N 1 3 299.415 -0.594 20 0 CBADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CCC1 ZINC001446758087 912938474 /nfs/dbraw/zinc/93/84/74/912938474.db2.gz MVRNWFKPGPGCSB-AWEZNQCLSA-N 1 3 299.415 -0.594 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CCC[NH2+]2)n1 ZINC001327926846 885531927 /nfs/dbraw/zinc/53/19/27/885531927.db2.gz CXXXCLCBCJXRBJ-MRVPVSSYSA-N 1 3 265.317 -0.601 20 0 CBADHO COCCNCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001328318642 885632468 /nfs/dbraw/zinc/63/24/68/885632468.db2.gz YRDPWDJQYWBSBK-OCCSQVGLSA-N 1 3 285.388 -0.423 20 0 CBADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001328506224 885713351 /nfs/dbraw/zinc/71/33/51/885713351.db2.gz BJZNQIAKAONLJY-LLVKDONJSA-N 1 3 253.346 -0.423 20 0 CBADHO C[C@H]1CCCN(CC(=O)N2CCNCC2)[C@@H]1CC[NH3+] ZINC001328728858 885794228 /nfs/dbraw/zinc/79/42/28/885794228.db2.gz ALAFZLHQOWZLPM-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@@H]1CNCCO1 ZINC001329244865 885977896 /nfs/dbraw/zinc/97/78/96/885977896.db2.gz FUCUWHBZUKKGBD-PWSUYJOCSA-N 1 3 251.334 -0.582 20 0 CBADHO O=C1CCC2=C(CCN(CCN3CC[NH2+]CC3)C2)N1 ZINC001329925697 886283491 /nfs/dbraw/zinc/28/34/91/886283491.db2.gz MOMDXDCHHVJHAM-UHFFFAOYSA-N 1 3 264.373 -0.239 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329936090 886287998 /nfs/dbraw/zinc/28/79/98/886287998.db2.gz CIBIWBGLBSTSIO-RNFRBKRXSA-N 1 3 253.306 -0.760 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC2([NH3+])CC2)n1 ZINC001329946608 886293607 /nfs/dbraw/zinc/29/36/07/886293607.db2.gz VRZHQHPUDSVRKG-UHFFFAOYSA-N 1 3 251.290 -0.862 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330518731 886465003 /nfs/dbraw/zinc/46/50/03/886465003.db2.gz FEKPSVREDCQEJU-ZETCQYMHSA-N 1 3 268.321 -0.871 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001330880950 886614426 /nfs/dbraw/zinc/61/44/26/886614426.db2.gz XBCOTWDOAIOFBG-NSHDSACASA-N 1 3 259.350 -0.684 20 0 CBADHO CC1(C)[C@H](C(=O)N2CCOC3(CNC3)C2)C[C@@H]1[NH3+] ZINC001331052781 886658974 /nfs/dbraw/zinc/65/89/74/886658974.db2.gz JKCKNTKQSSEUHQ-UWVGGRQHSA-N 1 3 253.346 -0.439 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001331149224 886695752 /nfs/dbraw/zinc/69/57/52/886695752.db2.gz LMIVIPXLXWZHFA-RWMBFGLXSA-N 1 3 296.415 -0.312 20 0 CBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC001331490678 886823972 /nfs/dbraw/zinc/82/39/72/886823972.db2.gz ZQSAWGRIPSBWGT-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001447535429 913091433 /nfs/dbraw/zinc/09/14/33/913091433.db2.gz GLIBWFVSMVANQP-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670284 886897756 /nfs/dbraw/zinc/89/77/56/886897756.db2.gz VCDTUCSUVQORRR-IJLUTSLNSA-N 1 3 296.415 -0.171 20 0 CBADHO CCOCCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331834411 887005438 /nfs/dbraw/zinc/00/54/38/887005438.db2.gz HLZGUPIAHHYLJS-VXGBXAGGSA-N 1 3 273.377 -0.959 20 0 CBADHO CCOCCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331834411 887005449 /nfs/dbraw/zinc/00/54/49/887005449.db2.gz HLZGUPIAHHYLJS-VXGBXAGGSA-N 1 3 273.377 -0.959 20 0 CBADHO C[NH2+]C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC001332159554 887137142 /nfs/dbraw/zinc/13/71/42/887137142.db2.gz ZXSICDFQGQRJRU-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCNCC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001332282744 887183255 /nfs/dbraw/zinc/18/32/55/887183255.db2.gz VFODJXPBWPSIRK-KGLIPLIRSA-N 1 3 299.415 -0.033 20 0 CBADHO [NH3+][C@@H]1C[C@H](NC[C@@H](O)Cn2ccnn2)C12CCC2 ZINC001332419230 887272453 /nfs/dbraw/zinc/27/24/53/887272453.db2.gz BIYYUZWYSWWEGR-MXWKQRLJSA-N 1 3 251.334 -0.502 20 0 CBADHO N[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C12CCC2 ZINC001332419230 887272471 /nfs/dbraw/zinc/27/24/71/887272471.db2.gz BIYYUZWYSWWEGR-MXWKQRLJSA-N 1 3 251.334 -0.502 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCF)N(C)C ZINC001332574670 887361656 /nfs/dbraw/zinc/36/16/56/887361656.db2.gz GLYXVBUBOROOHF-MNOVXSKESA-N 1 3 263.357 -0.295 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001332724989 887418133 /nfs/dbraw/zinc/41/81/33/887418133.db2.gz QKMOWDNLKMZTKA-KGLIPLIRSA-N 1 3 299.463 -0.592 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860944 913149779 /nfs/dbraw/zinc/14/97/79/913149779.db2.gz BXYFXGMZJHOKQQ-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)N2CCOC3(CNC3)C2)C1(F)F ZINC001332977236 887493006 /nfs/dbraw/zinc/49/30/06/887493006.db2.gz YDEUAJCUROKGNG-HTQZYQBOSA-N 1 3 261.272 -0.973 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001333397698 887621819 /nfs/dbraw/zinc/62/18/19/887621819.db2.gz MNBRRZMDUYPPRW-UWVGGRQHSA-N 1 3 268.361 -0.855 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]C)CC2)C1 ZINC001333564986 887694756 /nfs/dbraw/zinc/69/47/56/887694756.db2.gz CYUOIEDBPCHNDR-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NCC(N)=O ZINC001447935604 913172248 /nfs/dbraw/zinc/17/22/48/913172248.db2.gz RUTZCSLODRYPPB-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001333670104 887739191 /nfs/dbraw/zinc/73/91/91/887739191.db2.gz LMZJOIMAEGLTIJ-XWLWVQCSSA-N 1 3 255.362 -0.147 20 0 CBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001333670102 887740265 /nfs/dbraw/zinc/74/02/65/887740265.db2.gz LMZJOIMAEGLTIJ-VPOLOUISSA-N 1 3 255.362 -0.147 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N1CCCCC1 ZINC001333882185 887795972 /nfs/dbraw/zinc/79/59/72/887795972.db2.gz VZSQDDKJZKDARD-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)N1CCCCC1 ZINC001333882186 887796670 /nfs/dbraw/zinc/79/66/70/887796670.db2.gz VZSQDDKJZKDARD-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO O=C(NCCN1CC=CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001334001315 887840161 /nfs/dbraw/zinc/84/01/61/887840161.db2.gz ZPANWHUESNLZLM-ZDUSSCGKSA-N 1 3 265.357 -0.305 20 0 CBADHO C[C@]1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCNC1=O ZINC001335288625 888486201 /nfs/dbraw/zinc/48/62/01/888486201.db2.gz HOBOPUUYXGLFFK-GWCFXTLKSA-N 1 3 268.361 -0.948 20 0 CBADHO C[N@@H+]1CCCC[C@@H](CNCCC(=O)NC(N)=O)C1 ZINC001335475941 888542039 /nfs/dbraw/zinc/54/20/39/888542039.db2.gz GNHXRYRWJAPTSE-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO C[N@H+]1CCCC[C@@H](CNCCC(=O)NC(N)=O)C1 ZINC001335475941 888542049 /nfs/dbraw/zinc/54/20/49/888542049.db2.gz GNHXRYRWJAPTSE-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO CN1CCCC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC001335475941 888542056 /nfs/dbraw/zinc/54/20/56/888542056.db2.gz GNHXRYRWJAPTSE-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO O[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1O ZINC001336279035 888735127 /nfs/dbraw/zinc/73/51/27/888735127.db2.gz YXEIHHRUGXQMMY-FVCCEPFGSA-N 1 3 256.346 -0.818 20 0 CBADHO COCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(CCOC)C1 ZINC001336977996 888942027 /nfs/dbraw/zinc/94/20/27/888942027.db2.gz OGVKLAIIDBTALV-MNOVXSKESA-N 1 3 259.350 -0.813 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001338518342 889170570 /nfs/dbraw/zinc/17/05/70/889170570.db2.gz ALBWGHXTLKSANK-QWRGUYRKSA-N 1 3 268.361 -0.360 20 0 CBADHO C[C@@H]1CN(CCN2CCNCC[NH2+]CC2)CCO1 ZINC001339933493 889345973 /nfs/dbraw/zinc/34/59/73/889345973.db2.gz OWARRKRVEABZII-CYBMUJFWSA-N 1 3 256.394 -0.798 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340232585 889411859 /nfs/dbraw/zinc/41/18/59/889411859.db2.gz GKLHWUDRJPZBHC-AWEZNQCLSA-N 1 3 297.447 -0.968 20 0 CBADHO O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1COC2(CNC2)C1 ZINC001340613595 889453643 /nfs/dbraw/zinc/45/36/43/889453643.db2.gz FRTJKEKOAFLELE-AKJDGMEZSA-N 1 3 265.357 -0.234 20 0 CBADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCN1CCCCC1 ZINC001340789253 889486859 /nfs/dbraw/zinc/48/68/59/889486859.db2.gz ISXQVRLCQOSBJF-VXGBXAGGSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001448687820 913350981 /nfs/dbraw/zinc/35/09/81/913350981.db2.gz WBZDPBPKKMCHAP-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(N)=O ZINC001448687820 913350988 /nfs/dbraw/zinc/35/09/88/913350988.db2.gz WBZDPBPKKMCHAP-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC001340914871 889512315 /nfs/dbraw/zinc/51/23/15/889512315.db2.gz AGBWNASZDDZNKS-SECBINFHSA-N 1 3 257.334 -0.393 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001341206703 889556849 /nfs/dbraw/zinc/55/68/49/889556849.db2.gz RVZLXXAXCMGZRA-GHMZBOCLSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001341370483 889582430 /nfs/dbraw/zinc/58/24/30/889582430.db2.gz YSYOEIMEZCLJCL-AXFHLTTASA-N 1 3 253.346 -0.378 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001341447623 889599016 /nfs/dbraw/zinc/59/90/16/889599016.db2.gz LROUUGFXQZUKJM-BZPMIXESSA-N 1 3 266.389 -0.380 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341620875 889634270 /nfs/dbraw/zinc/63/42/70/889634270.db2.gz ZUOBLAIJUINKLS-WZRBSPASSA-N 1 3 255.362 -0.443 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001341672953 889645755 /nfs/dbraw/zinc/64/57/55/889645755.db2.gz RHJKBJAPNCQWLQ-FOGDFJRCSA-N 1 3 255.362 -0.444 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001341672224 889646568 /nfs/dbraw/zinc/64/65/68/889646568.db2.gz BQFDFTJPWKLWAE-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341733045 889654559 /nfs/dbraw/zinc/65/45/59/889654559.db2.gz NTIZYLBQTVDNLG-GASQSECBSA-N 1 3 267.373 -0.302 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001341951782 889689254 /nfs/dbraw/zinc/68/92/54/889689254.db2.gz RVMZUFRZSISZKK-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341971366 889691404 /nfs/dbraw/zinc/69/14/04/889691404.db2.gz YBKBBAXAAPVOJR-JSGCOSHPSA-N 1 3 266.389 -0.365 20 0 CBADHO C[NH2+]CCCC(=O)N1CCC2(CC1)CNCCO2 ZINC001341969522 889692020 /nfs/dbraw/zinc/69/20/20/889692020.db2.gz ZPCXYPUHRIDHOL-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342188162 889729272 /nfs/dbraw/zinc/72/92/72/889729272.db2.gz HUROBEAVRCJPCB-BREBYQMCSA-N 1 3 269.345 -0.332 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCOC2(CNC2)C1 ZINC001342283183 889746426 /nfs/dbraw/zinc/74/64/26/889746426.db2.gz BPQLRAAEHYVUHE-GHMZBOCLSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001342302184 889750560 /nfs/dbraw/zinc/75/05/60/889750560.db2.gz QEGZSDPWGNVRBX-VXGBXAGGSA-N 1 3 267.373 -0.035 20 0 CBADHO CC1(C)CN(C(=O)CNC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC001342507419 889786934 /nfs/dbraw/zinc/78/69/34/889786934.db2.gz YURXQBQOCUDOCP-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1c(CN)cnn1C ZINC001342514440 889786980 /nfs/dbraw/zinc/78/69/80/889786980.db2.gz MOJMPIVZCIUPCK-NXEZZACHSA-N 1 3 265.361 -0.146 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001342564345 889793537 /nfs/dbraw/zinc/79/35/37/889793537.db2.gz IYVITGKJLVUWAQ-VIFPVBQESA-N 1 3 266.345 -0.487 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342669740 889813334 /nfs/dbraw/zinc/81/33/34/889813334.db2.gz UXBSGALGCOHDPA-QJPTWQEYSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001343191214 889875946 /nfs/dbraw/zinc/87/59/46/889875946.db2.gz LVSSMLLJIJJVTG-OBJOEFQTSA-N 1 3 267.373 -0.177 20 0 CBADHO CN1CCN(CCCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001343451145 889914131 /nfs/dbraw/zinc/91/41/31/889914131.db2.gz ACSWPKXNAFBNFT-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO COC[C@@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCN1 ZINC001343574281 889935020 /nfs/dbraw/zinc/93/50/20/889935020.db2.gz IKUMAZBVYMKSIB-OWTLIXCDSA-N 1 3 267.373 -0.179 20 0 CBADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1COC2(CNC2)C1 ZINC001344010863 889990036 /nfs/dbraw/zinc/99/00/36/889990036.db2.gz GOKJZBIZLOAQDD-WGPFEIJOSA-N 1 3 265.357 -0.211 20 0 CBADHO [NH3+]CCNCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001344022964 889990668 /nfs/dbraw/zinc/99/06/68/889990668.db2.gz KYJDPIMFODPFIK-ZDUSSCGKSA-N 1 3 278.356 -0.166 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344375014 890019840 /nfs/dbraw/zinc/01/98/40/890019840.db2.gz QLQYXERSPPFUKX-IUCAKERBSA-N 1 3 265.304 -0.458 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H](C)N)C2 ZINC001344666800 890052057 /nfs/dbraw/zinc/05/20/57/890052057.db2.gz MXEFEJJPXFJQFA-UOKLYIGXSA-N 1 3 255.318 -0.928 20 0 CBADHO O=C([C@H]1CCC[NH2+]1)N1CCC2(CC1)CNCCO2 ZINC001345118511 890103713 /nfs/dbraw/zinc/10/37/13/890103713.db2.gz AEJPMOBLWFHYLW-LLVKDONJSA-N 1 3 253.346 -0.281 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001345196773 890110227 /nfs/dbraw/zinc/11/02/27/890110227.db2.gz GEGNRLVJUARGJD-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO NC(=O)CC[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC001345630684 890147707 /nfs/dbraw/zinc/14/77/07/890147707.db2.gz AGRHZPHKPRSMMT-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001345897807 890177742 /nfs/dbraw/zinc/17/77/42/890177742.db2.gz XQNLLUYQFHLAEM-MNOVXSKESA-N 1 3 266.349 -0.362 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCNCC2)C1 ZINC001346018690 890198287 /nfs/dbraw/zinc/19/82/87/890198287.db2.gz ZJFWFQSKBZQMEY-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346164290 890229156 /nfs/dbraw/zinc/22/91/56/890229156.db2.gz WTTBJVQDNSFKLC-FOBZMYGMSA-N 1 3 252.362 -0.724 20 0 CBADHO C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)CN1CCN(C)CC1 ZINC001346333138 890269690 /nfs/dbraw/zinc/26/96/90/890269690.db2.gz PGGIIHMNGUWGGE-KGLIPLIRSA-N 1 3 299.463 -0.735 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001346385973 890280874 /nfs/dbraw/zinc/28/08/74/890280874.db2.gz YEYHGCWDABFWDR-IJLUTSLNSA-N 1 3 255.362 -0.321 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001346385973 890280890 /nfs/dbraw/zinc/28/08/90/890280890.db2.gz YEYHGCWDABFWDR-IJLUTSLNSA-N 1 3 255.362 -0.321 20 0 CBADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448884993 913439543 /nfs/dbraw/zinc/43/95/43/913439543.db2.gz ORWXHUTWSJFTAO-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448884993 913439548 /nfs/dbraw/zinc/43/95/48/913439548.db2.gz ORWXHUTWSJFTAO-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347061568 890396771 /nfs/dbraw/zinc/39/67/71/890396771.db2.gz QRFFRCDXXSYISO-SSDOTTSWSA-N 1 3 268.321 -0.823 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347061569 890396808 /nfs/dbraw/zinc/39/68/08/890396808.db2.gz QRFFRCDXXSYISO-ZETCQYMHSA-N 1 3 268.321 -0.823 20 0 CBADHO NCc1cn([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)nn1 ZINC001349399167 890805642 /nfs/dbraw/zinc/80/56/42/890805642.db2.gz YUIHCGOFOZBYLY-AAEUAGOBSA-N 1 3 264.377 -0.017 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC001349674876 890865656 /nfs/dbraw/zinc/86/56/56/890865656.db2.gz RHTRMWKEKIGFQG-CYBMUJFWSA-N 1 3 285.388 -0.408 20 0 CBADHO COCC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001349817066 890898327 /nfs/dbraw/zinc/89/83/27/890898327.db2.gz GOIKVHAVYSAMNT-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO CCCN(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001350069792 890931755 /nfs/dbraw/zinc/93/17/55/890931755.db2.gz QRLJXYSLDYNZTI-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCN(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001350069792 890931761 /nfs/dbraw/zinc/93/17/61/890931761.db2.gz QRLJXYSLDYNZTI-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001350331646 890964455 /nfs/dbraw/zinc/96/44/55/890964455.db2.gz AKYMCZJLEVKXRO-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449101864 913507516 /nfs/dbraw/zinc/50/75/16/913507516.db2.gz YNPNFHUALUHIEF-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001352824348 891301918 /nfs/dbraw/zinc/30/19/18/891301918.db2.gz LEWPMPSTHUUBEX-VIFPVBQESA-N 1 3 251.334 -0.392 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)c2c(CN)cnn2C)CC[NH2+]1 ZINC001352839689 891306028 /nfs/dbraw/zinc/30/60/28/891306028.db2.gz QALSUUIZHPZFPI-WPRPVWTQSA-N 1 3 251.334 -0.251 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)C1 ZINC001449220925 913545632 /nfs/dbraw/zinc/54/56/32/913545632.db2.gz XXTKKJNBZZRCNK-STQMWFEESA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001449220925 913545645 /nfs/dbraw/zinc/54/56/45/913545645.db2.gz XXTKKJNBZZRCNK-STQMWFEESA-N 1 3 287.404 -0.928 20 0 CBADHO CO[C@@H](CN)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001353075861 891354876 /nfs/dbraw/zinc/35/48/76/891354876.db2.gz FFZUCQMCFJPFDI-CSMHCCOUSA-N 1 3 269.267 -0.444 20 0 CBADHO COCCNCC(=O)N(CC[NH3+])CC(F)(F)F ZINC001353090065 891357870 /nfs/dbraw/zinc/35/78/70/891357870.db2.gz UZLNZEJNQLLZGP-UHFFFAOYSA-N 1 3 257.256 -0.428 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001353200520 891380576 /nfs/dbraw/zinc/38/05/76/891380576.db2.gz CGCKAESNQYSLSD-CYBMUJFWSA-N 1 3 284.404 -0.754 20 0 CBADHO [NH3+]CCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001353423973 891425930 /nfs/dbraw/zinc/42/59/30/891425930.db2.gz FWZKTWYDVOPSMY-STQMWFEESA-N 1 3 284.404 -0.034 20 0 CBADHO CC[N@H+](CCNC(=O)[C@@H]1CNCCN1C)C(C)C ZINC001353527496 891440657 /nfs/dbraw/zinc/44/06/57/891440657.db2.gz VPPIJYAZQJAMNR-LBPRGKRZSA-N 1 3 256.394 -0.264 20 0 CBADHO CC[N@@H+](CCNC(=O)[C@@H]1CNCCN1C)C(C)C ZINC001353527496 891440663 /nfs/dbraw/zinc/44/06/63/891440663.db2.gz VPPIJYAZQJAMNR-LBPRGKRZSA-N 1 3 256.394 -0.264 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001353647113 891455543 /nfs/dbraw/zinc/45/55/43/891455543.db2.gz ZTZFVKNEZQFPGC-YPMHNXCESA-N 1 3 263.341 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449317508 913568799 /nfs/dbraw/zinc/56/87/99/913568799.db2.gz ISHWFCYXLBVJMD-LLVKDONJSA-N 1 3 286.420 -0.195 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001354328709 891566309 /nfs/dbraw/zinc/56/63/09/891566309.db2.gz AGUIEKJOXPVCIJ-IWSPIJDZSA-N 1 3 261.297 -0.835 20 0 CBADHO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCOC2(CNC2)C1 ZINC001354358792 891570458 /nfs/dbraw/zinc/57/04/58/891570458.db2.gz OXELBWLGPDYLIR-HBNTYKKESA-N 1 3 251.330 -0.672 20 0 CBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001449397719 913578233 /nfs/dbraw/zinc/57/82/33/913578233.db2.gz DLNSJIULNORPPQ-WXRRBKDZSA-N 1 3 298.431 -0.006 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C[C@@H]1CNCCO1 ZINC001355598850 891695236 /nfs/dbraw/zinc/69/52/36/891695236.db2.gz IVZAGUFKMVLBNX-DMDPSCGWSA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC001355817794 891706935 /nfs/dbraw/zinc/70/69/35/891706935.db2.gz DPTQFSSPHISFAH-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO CCN1CCN(CCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001356533381 891776071 /nfs/dbraw/zinc/77/60/71/891776071.db2.gz DBHRVZUCVZCBNO-UHFFFAOYSA-N 1 3 285.392 -0.811 20 0 CBADHO C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C ZINC001356569208 891781523 /nfs/dbraw/zinc/78/15/23/891781523.db2.gz DAWMPJFTTQBEHZ-OLZOCXBDSA-N 1 3 258.410 -0.866 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H](O)C[NH3+])C[C@@H](C)O1 ZINC001357366147 891876215 /nfs/dbraw/zinc/87/62/15/891876215.db2.gz FFBYBGGFIIMTOU-JHJVBQTASA-N 1 3 287.404 -0.298 20 0 CBADHO C[NH2+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001357433894 891892977 /nfs/dbraw/zinc/89/29/77/891892977.db2.gz HUVPIDHTSIXCSE-STQMWFEESA-N 1 3 284.404 -0.164 20 0 CBADHO C[NH2+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001357433891 891894245 /nfs/dbraw/zinc/89/42/45/891894245.db2.gz HUVPIDHTSIXCSE-CHWSQXEVSA-N 1 3 284.404 -0.164 20 0 CBADHO CN1CCNC[C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001357474927 891904883 /nfs/dbraw/zinc/90/48/83/891904883.db2.gz SDFHRLUKHSYDLZ-RYUDHWBXSA-N 1 3 254.378 -0.462 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC001357514726 891906429 /nfs/dbraw/zinc/90/64/29/891906429.db2.gz IVHRTPVJJSNXNT-WDEREUQCSA-N 1 3 256.350 -0.645 20 0 CBADHO [NH3+]CC[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC001357514724 891906939 /nfs/dbraw/zinc/90/69/39/891906939.db2.gz IVHRTPVJJSNXNT-MNOVXSKESA-N 1 3 256.350 -0.645 20 0 CBADHO [NH3+]CC[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC001357514723 891907394 /nfs/dbraw/zinc/90/73/94/891907394.db2.gz IVHRTPVJJSNXNT-GHMZBOCLSA-N 1 3 256.350 -0.645 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CCN1C ZINC001358187266 891978198 /nfs/dbraw/zinc/97/81/98/891978198.db2.gz VXBNCOSVLIAKCP-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO NC1(C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC001358224515 891983420 /nfs/dbraw/zinc/98/34/20/891983420.db2.gz RBBVIECBAGQDGJ-JTQLQIEISA-N 1 3 253.346 -0.166 20 0 CBADHO COCCNCC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001358393753 891999360 /nfs/dbraw/zinc/99/93/60/891999360.db2.gz KIWGMSMXMUBLQN-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001450384653 913688325 /nfs/dbraw/zinc/68/83/25/913688325.db2.gz WKPMBANJPHCWAG-GFCCVEGCSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001450384653 913688336 /nfs/dbraw/zinc/68/83/36/913688336.db2.gz WKPMBANJPHCWAG-GFCCVEGCSA-N 1 3 296.415 -0.395 20 0 CBADHO CN(CCO)CCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363123317 893381971 /nfs/dbraw/zinc/38/19/71/893381971.db2.gz HOHOKGDBMKPVRJ-CYBMUJFWSA-N 1 3 292.383 -0.052 20 0 CBADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001363127812 893386238 /nfs/dbraw/zinc/38/62/38/893386238.db2.gz PEQHSXMJDMFGOL-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001363127812 893386257 /nfs/dbraw/zinc/38/62/57/893386257.db2.gz PEQHSXMJDMFGOL-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO C[NH+](C)CCCC(C)(C)NCc1cn(CC(N)=O)nn1 ZINC001363870767 894069790 /nfs/dbraw/zinc/06/97/90/894069790.db2.gz PQLGQTQSRRHBCR-UHFFFAOYSA-N 1 3 282.392 -0.027 20 0 CBADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001364418075 894404293 /nfs/dbraw/zinc/40/42/93/894404293.db2.gz OOEVLTFWROZEQD-CABCVRRESA-N 1 3 285.432 -0.313 20 0 CBADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001364418075 894404312 /nfs/dbraw/zinc/40/43/12/894404312.db2.gz OOEVLTFWROZEQD-CABCVRRESA-N 1 3 285.432 -0.313 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001365813000 895124519 /nfs/dbraw/zinc/12/45/19/895124519.db2.gz KVORFJCNBZOZLK-SDDRHHMPSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001365811588 895126597 /nfs/dbraw/zinc/12/65/97/895126597.db2.gz ITPHIHPJOXGWTJ-SDDRHHMPSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001365850413 895132020 /nfs/dbraw/zinc/13/20/20/895132020.db2.gz XYBCTLYTAVXSKJ-FIQHERPVSA-N 1 3 284.404 -0.315 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001365971841 895155960 /nfs/dbraw/zinc/15/59/60/895155960.db2.gz CFOTZFPDGDFSBI-NWDGAFQWSA-N 1 3 273.377 -0.864 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366102963 895191930 /nfs/dbraw/zinc/19/19/30/895191930.db2.gz NUPFXKQAWMORLG-NEPJUHHUSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366102963 895191936 /nfs/dbraw/zinc/19/19/36/895191936.db2.gz NUPFXKQAWMORLG-NEPJUHHUSA-N 1 3 282.388 -0.783 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001366105124 895192268 /nfs/dbraw/zinc/19/22/68/895192268.db2.gz RBKBODHWWSATFX-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001366105124 895192275 /nfs/dbraw/zinc/19/22/75/895192275.db2.gz RBKBODHWWSATFX-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001366127346 895201642 /nfs/dbraw/zinc/20/16/42/895201642.db2.gz QYPHDKYKCCYZPF-AVGNSLFASA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001366146397 895205401 /nfs/dbraw/zinc/20/54/01/895205401.db2.gz AQHPDSQLPHIACG-LOWVWBTDSA-N 1 3 296.415 -0.029 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001366157958 895209632 /nfs/dbraw/zinc/20/96/32/895209632.db2.gz DQTXIFMSVUHXCP-MQYQWHSLSA-N 1 3 299.415 -0.428 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001366158972 895209755 /nfs/dbraw/zinc/20/97/55/895209755.db2.gz IUWPDNNZDAOQGM-XQHKEYJVSA-N 1 3 296.415 -0.158 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001366157957 895210207 /nfs/dbraw/zinc/21/02/07/895210207.db2.gz DQTXIFMSVUHXCP-FQUUOJAGSA-N 1 3 299.415 -0.428 20 0 CBADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001366214833 895222394 /nfs/dbraw/zinc/22/23/94/895222394.db2.gz AFPNBPLOJUAJOJ-LBPRGKRZSA-N 1 3 294.399 -0.462 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320311 895276062 /nfs/dbraw/zinc/27/60/62/895276062.db2.gz BMCBMLSGVUYRLX-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001366320308 895277683 /nfs/dbraw/zinc/27/76/83/895277683.db2.gz BMCBMLSGVUYRLX-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001366349100 895289211 /nfs/dbraw/zinc/28/92/11/895289211.db2.gz VAVJJRJXQQYAGG-BXUZGUMPSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366348292 895289250 /nfs/dbraw/zinc/28/92/50/895289250.db2.gz SXLPHFPCBIMLKH-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366348292 895289263 /nfs/dbraw/zinc/28/92/63/895289263.db2.gz SXLPHFPCBIMLKH-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(N)=O ZINC001366364356 895295435 /nfs/dbraw/zinc/29/54/35/895295435.db2.gz NXRWKRFNVGGVBS-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001366380776 895301691 /nfs/dbraw/zinc/30/16/91/895301691.db2.gz HRMLDZSJYQDNSX-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001366394529 895309837 /nfs/dbraw/zinc/30/98/37/895309837.db2.gz VOTSNEPXYFEPHN-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001366394529 895309853 /nfs/dbraw/zinc/30/98/53/895309853.db2.gz VOTSNEPXYFEPHN-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(N)=O ZINC001366471154 895327102 /nfs/dbraw/zinc/32/71/02/895327102.db2.gz ISNSDGJCXBLDJQ-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN1CC[C@H](NCCN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001366770900 895456422 /nfs/dbraw/zinc/45/64/22/895456422.db2.gz BCLPMYRBYDCSNK-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001366770897 895457633 /nfs/dbraw/zinc/45/76/33/895457633.db2.gz BCLPMYRBYDCSNK-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001366775346 895458614 /nfs/dbraw/zinc/45/86/14/895458614.db2.gz MKEYICMRGTYUOI-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH+](C)CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001367157927 895578107 /nfs/dbraw/zinc/57/81/07/895578107.db2.gz PWLPMTCMDACYNK-UHFFFAOYSA-N 1 3 270.377 -0.558 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001367451816 895638676 /nfs/dbraw/zinc/63/86/76/895638676.db2.gz VIDCVEJIQDESLY-NEPJUHHUSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)CCC1 ZINC001367592012 895688273 /nfs/dbraw/zinc/68/82/73/895688273.db2.gz GDGZHZPCQLEKPV-OLZOCXBDSA-N 1 3 299.415 -0.426 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001367595068 895690080 /nfs/dbraw/zinc/69/00/80/895690080.db2.gz UBIAOFZEEQWJJJ-QWHCGFSZSA-N 1 3 297.403 -0.673 20 0 CBADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001367653866 895726202 /nfs/dbraw/zinc/72/62/02/895726202.db2.gz BXWIOLHZFAPSIR-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001367671015 895736675 /nfs/dbraw/zinc/73/66/75/895736675.db2.gz QDYVIWHHBNMFJH-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)CC[N@H+]1C ZINC001367671015 895736703 /nfs/dbraw/zinc/73/67/03/895736703.db2.gz QDYVIWHHBNMFJH-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367681716 895744760 /nfs/dbraw/zinc/74/47/60/895744760.db2.gz ABBWEILYTCQVNX-NEPJUHHUSA-N 1 3 286.420 -0.116 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001367690670 895751711 /nfs/dbraw/zinc/75/17/11/895751711.db2.gz OARSQYZLSLJALT-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001367756221 895792596 /nfs/dbraw/zinc/79/25/96/895792596.db2.gz CIQBLDZJQOSRDR-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368110151 895914482 /nfs/dbraw/zinc/91/44/82/895914482.db2.gz WDIKCVHWEDKSOK-TZMCWYRMSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001368108184 895915070 /nfs/dbraw/zinc/91/50/70/895915070.db2.gz ZOOKFUYWKDVIIG-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001368198583 895933100 /nfs/dbraw/zinc/93/31/00/895933100.db2.gz XFTKGUZBTFRDFY-FZMZJTMJSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC[N@@H+]1C ZINC001368244192 895937700 /nfs/dbraw/zinc/93/77/00/895937700.db2.gz GXQHFCZIRAWYDC-GZBFAFLISA-N 1 3 299.415 -0.738 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC[N@H+]1C ZINC001368244192 895937706 /nfs/dbraw/zinc/93/77/06/895937706.db2.gz GXQHFCZIRAWYDC-GZBFAFLISA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368679922 896058468 /nfs/dbraw/zinc/05/84/68/896058468.db2.gz ZFAMLLHMSNTQOE-CHWSQXEVSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)N(C)C ZINC001368868964 896100787 /nfs/dbraw/zinc/10/07/87/896100787.db2.gz PLNUBANAXKLIIC-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368880515 896104945 /nfs/dbraw/zinc/10/49/45/896104945.db2.gz FGXPRKDSHDNGHN-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CCC1 ZINC001369136260 896158388 /nfs/dbraw/zinc/15/83/88/896158388.db2.gz UHFRUASUFTVBFZ-ZSOGYDGISA-N 1 3 281.400 -0.243 20 0 CBADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CCC1 ZINC001369136260 896158393 /nfs/dbraw/zinc/15/83/93/896158393.db2.gz UHFRUASUFTVBFZ-ZSOGYDGISA-N 1 3 281.400 -0.243 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001369173958 896164482 /nfs/dbraw/zinc/16/44/82/896164482.db2.gz PXGAIGQOWBSFDO-BJDJZHNGSA-N 1 3 284.404 -0.315 20 0 CBADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275212 896185057 /nfs/dbraw/zinc/18/50/57/896185057.db2.gz IUTZRTQMLAOCML-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001369283454 896188234 /nfs/dbraw/zinc/18/82/34/896188234.db2.gz AWZVPHUBTQZMFO-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001369283454 896188236 /nfs/dbraw/zinc/18/82/36/896188236.db2.gz AWZVPHUBTQZMFO-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001369386256 896249866 /nfs/dbraw/zinc/24/98/66/896249866.db2.gz SHCAYRATGBYEQR-UWVGGRQHSA-N 1 3 297.321 -0.043 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001369386256 896249878 /nfs/dbraw/zinc/24/98/78/896249878.db2.gz SHCAYRATGBYEQR-UWVGGRQHSA-N 1 3 297.321 -0.043 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369469643 896285054 /nfs/dbraw/zinc/28/50/54/896285054.db2.gz GRSAPKXLUMEFNC-WCQYABFASA-N 1 3 296.371 -0.602 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001369553764 896318902 /nfs/dbraw/zinc/31/89/02/896318902.db2.gz LZGDQTSUOMPMHH-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370014757 896385054 /nfs/dbraw/zinc/38/50/54/896385054.db2.gz HTSUSVYHZDRIRR-CHWSQXEVSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370018040 896392327 /nfs/dbraw/zinc/39/23/27/896392327.db2.gz OBRYIRUMTKWJTN-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001370405921 896422620 /nfs/dbraw/zinc/42/26/20/896422620.db2.gz SGIXKIGFYMDIAK-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001370424372 896426558 /nfs/dbraw/zinc/42/65/58/896426558.db2.gz CVWAERHDLUIWMB-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001370636098 896454667 /nfs/dbraw/zinc/45/46/67/896454667.db2.gz JWQRGDSNUCVZDB-GRYCIOLGSA-N 1 3 294.399 -0.404 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001371472958 896618822 /nfs/dbraw/zinc/61/88/22/896618822.db2.gz HZAPHAAPDVTCHW-OCCSQVGLSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651053 896829552 /nfs/dbraw/zinc/82/95/52/896829552.db2.gz NILDHDWBYXLZDX-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H](CC)N(C)C)C(N)=O ZINC001372966350 896917307 /nfs/dbraw/zinc/91/73/07/896917307.db2.gz GOJJWKDLVLMEBY-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001372912394 896898939 /nfs/dbraw/zinc/89/89/39/896898939.db2.gz ZYVMNJNGVWZGNV-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372912394 896898955 /nfs/dbraw/zinc/89/89/55/896898955.db2.gz ZYVMNJNGVWZGNV-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001372934306 896906560 /nfs/dbraw/zinc/90/65/60/896906560.db2.gz BVELQELSABPBAT-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001372940700 896909013 /nfs/dbraw/zinc/90/90/13/896909013.db2.gz ZQRVNZGJLGAANH-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001372970459 896916418 /nfs/dbraw/zinc/91/64/18/896916418.db2.gz WWYAYMTZWLJMJS-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001373453982 897019528 /nfs/dbraw/zinc/01/95/28/897019528.db2.gz GHLMQQKNGPVOKB-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001373453982 897019541 /nfs/dbraw/zinc/01/95/41/897019541.db2.gz GHLMQQKNGPVOKB-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001373453997 897021798 /nfs/dbraw/zinc/02/17/98/897021798.db2.gz GHLMQQKNGPVOKB-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001373453997 897021812 /nfs/dbraw/zinc/02/18/12/897021812.db2.gz GHLMQQKNGPVOKB-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001373963350 897141029 /nfs/dbraw/zinc/14/10/29/897141029.db2.gz BAIYTFFHSAQYSD-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001373965496 897145679 /nfs/dbraw/zinc/14/56/79/897145679.db2.gz GCPWDXZHNOUTMQ-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001374017623 897154668 /nfs/dbraw/zinc/15/46/68/897154668.db2.gz WRMZGWGFSUZURL-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001374112371 897171056 /nfs/dbraw/zinc/17/10/56/897171056.db2.gz NKDRUCNCAQYYQX-LLVKDONJSA-N 1 3 272.393 -0.586 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC[NH+](C)C ZINC001374279029 897202143 /nfs/dbraw/zinc/20/21/43/897202143.db2.gz WVYMVSZWBYIXMT-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001374271983 897202921 /nfs/dbraw/zinc/20/29/21/897202921.db2.gz RTJFJUCQAYYUDH-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374271411 897203983 /nfs/dbraw/zinc/20/39/83/897203983.db2.gz NBWRIZAGAHNSJW-YNEHKIRRSA-N 1 3 287.404 -0.476 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001374333761 897214551 /nfs/dbraw/zinc/21/45/51/897214551.db2.gz ZMMUBOXDKHMFQK-NWDGAFQWSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001374333766 897214959 /nfs/dbraw/zinc/21/49/59/897214959.db2.gz ZMMUBOXDKHMFQK-VXGBXAGGSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001374442698 897230524 /nfs/dbraw/zinc/23/05/24/897230524.db2.gz FILWXWCIUMVFFN-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001374442698 897230539 /nfs/dbraw/zinc/23/05/39/897230539.db2.gz FILWXWCIUMVFFN-NEPJUHHUSA-N 1 3 284.404 -0.456 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001374648685 897326687 /nfs/dbraw/zinc/32/66/87/897326687.db2.gz BHXXLDRZRVGFLT-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001374648685 897326696 /nfs/dbraw/zinc/32/66/96/897326696.db2.gz BHXXLDRZRVGFLT-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001374682641 897340540 /nfs/dbraw/zinc/34/05/40/897340540.db2.gz XVJQWPUWFPAOQQ-RYUDHWBXSA-N 1 3 296.371 -0.636 20 0 CBADHO CC[C@H](C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001374762872 897381084 /nfs/dbraw/zinc/38/10/84/897381084.db2.gz JPEGGNDHEHEVJL-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001374762872 897381097 /nfs/dbraw/zinc/38/10/97/897381097.db2.gz JPEGGNDHEHEVJL-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001374932149 897433899 /nfs/dbraw/zinc/43/38/99/897433899.db2.gz VDFRFIQGODHBJU-YNEHKIRRSA-N 1 3 298.431 -0.055 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001374928361 897435465 /nfs/dbraw/zinc/43/54/65/897435465.db2.gz NPQXEPLDZKHUBB-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001374928361 897435473 /nfs/dbraw/zinc/43/54/73/897435473.db2.gz NPQXEPLDZKHUBB-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374978253 897447151 /nfs/dbraw/zinc/44/71/51/897447151.db2.gz WZCAHCPFRFRJDH-WCQYABFASA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374978253 897447164 /nfs/dbraw/zinc/44/71/64/897447164.db2.gz WZCAHCPFRFRJDH-WCQYABFASA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255282 897502679 /nfs/dbraw/zinc/50/26/79/897502679.db2.gz LSHOBHNAFVCXPQ-YPMHNXCESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255279 897503692 /nfs/dbraw/zinc/50/36/92/897503692.db2.gz LSHOBHNAFVCXPQ-AAEUAGOBSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001375515843 897561136 /nfs/dbraw/zinc/56/11/36/897561136.db2.gz XJXBLMVFJSNEPA-NDBYEHHHSA-N 1 3 298.431 -0.055 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)C1 ZINC001375546839 897563162 /nfs/dbraw/zinc/56/31/62/897563162.db2.gz ZLSWQZWHCPBKIV-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)C1 ZINC001375546839 897563174 /nfs/dbraw/zinc/56/31/74/897563174.db2.gz ZLSWQZWHCPBKIV-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001375750101 897601771 /nfs/dbraw/zinc/60/17/71/897601771.db2.gz UACCLVHEOYUORL-QWHCGFSZSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001375750101 897601776 /nfs/dbraw/zinc/60/17/76/897601776.db2.gz UACCLVHEOYUORL-QWHCGFSZSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001375759108 897602861 /nfs/dbraw/zinc/60/28/61/897602861.db2.gz ZEHTVWFYQJPGHF-AAEUAGOBSA-N 1 3 296.415 -0.075 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764298 897603967 /nfs/dbraw/zinc/60/39/67/897603967.db2.gz ORVDZPNYEKGRNS-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375764295 897604028 /nfs/dbraw/zinc/60/40/28/897604028.db2.gz ORVDZPNYEKGRNS-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001375767988 897605947 /nfs/dbraw/zinc/60/59/47/897605947.db2.gz RKFBBKBOHZAOCN-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001376332392 897713309 /nfs/dbraw/zinc/71/33/09/897713309.db2.gz RQGIZGPYLNETLX-GRYCIOLGSA-N 1 3 284.404 -0.348 20 0 CBADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001376601463 897780171 /nfs/dbraw/zinc/78/01/71/897780171.db2.gz IYDPKYFWAREZCR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO NC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001376735207 897828566 /nfs/dbraw/zinc/82/85/66/897828566.db2.gz BIOMITYKYYDMKC-GFCCVEGCSA-N 1 3 294.399 -0.558 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001376741783 897833272 /nfs/dbraw/zinc/83/32/72/897833272.db2.gz ABTNVFITHFVDPN-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001376741783 897833280 /nfs/dbraw/zinc/83/32/80/897833280.db2.gz ABTNVFITHFVDPN-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001376804525 897851895 /nfs/dbraw/zinc/85/18/95/897851895.db2.gz CPILZGJOQNKPRZ-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001376804523 897854060 /nfs/dbraw/zinc/85/40/60/897854060.db2.gz CPILZGJOQNKPRZ-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001376811556 897854477 /nfs/dbraw/zinc/85/44/77/897854477.db2.gz VNFNLRBAOOOCGX-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001376811556 897854483 /nfs/dbraw/zinc/85/44/83/897854483.db2.gz VNFNLRBAOOOCGX-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001376853453 897870812 /nfs/dbraw/zinc/87/08/12/897870812.db2.gz WNZUOUIBHMRAOX-QWHCGFSZSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853905 897871833 /nfs/dbraw/zinc/87/18/33/897871833.db2.gz JKVPNEMTRCBKRR-QWRGUYRKSA-N 1 3 282.388 -0.560 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376916702 897891334 /nfs/dbraw/zinc/89/13/34/897891334.db2.gz VNLBKTPCANMRJE-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001376914284 897891404 /nfs/dbraw/zinc/89/14/04/897891404.db2.gz JIKQYGXIFFPKTE-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376933621 897895057 /nfs/dbraw/zinc/89/50/57/897895057.db2.gz WBPRMHRCQIOZKO-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001376969024 897903733 /nfs/dbraw/zinc/90/37/33/897903733.db2.gz OVGAMIRJNRMEKQ-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001377114393 897932882 /nfs/dbraw/zinc/93/28/82/897932882.db2.gz VTTSJCMWXWLERS-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377126741 897936863 /nfs/dbraw/zinc/93/68/63/897936863.db2.gz DTGIMTXETGQHOB-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377126741 897936875 /nfs/dbraw/zinc/93/68/75/897936875.db2.gz DTGIMTXETGQHOB-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001377572492 898089957 /nfs/dbraw/zinc/08/99/57/898089957.db2.gz GTPWWHKAXDLBKE-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377595432 898101923 /nfs/dbraw/zinc/10/19/23/898101923.db2.gz QZXXWGSQVCJJIQ-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377844110 898147061 /nfs/dbraw/zinc/14/70/61/898147061.db2.gz WEYDZVLBPKWWFM-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)CCN1CCNC1=O ZINC001378121505 898243983 /nfs/dbraw/zinc/24/39/83/898243983.db2.gz ISDVEPDTEHNXFX-GFCCVEGCSA-N 1 3 299.419 -0.600 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001378501455 898338838 /nfs/dbraw/zinc/33/88/38/898338838.db2.gz PSRKAZKVWJADNQ-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001378765126 898406276 /nfs/dbraw/zinc/40/62/76/898406276.db2.gz QDMOXYKUKIOWQK-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CN(C)C1CCC1 ZINC001378779557 898408793 /nfs/dbraw/zinc/40/87/93/898408793.db2.gz XCRZFOIIONZYGC-MNOVXSKESA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001378852256 898422438 /nfs/dbraw/zinc/42/24/38/898422438.db2.gz LBSQMDRLMIBJQJ-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378844750 898424374 /nfs/dbraw/zinc/42/43/74/898424374.db2.gz QPCBJPUSBJVZGH-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001378861996 898426188 /nfs/dbraw/zinc/42/61/88/898426188.db2.gz VKEYQEKQGRLORY-OLZOCXBDSA-N 1 3 298.431 -0.006 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378862008 898426674 /nfs/dbraw/zinc/42/66/74/898426674.db2.gz VKEYQEKQGRLORY-QWHCGFSZSA-N 1 3 298.431 -0.006 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001379037840 898450672 /nfs/dbraw/zinc/45/06/72/898450672.db2.gz WJRIQJUDVBRCPG-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001379081357 898462441 /nfs/dbraw/zinc/46/24/41/898462441.db2.gz GLJMCOYQBUPXOW-CHWSQXEVSA-N 1 3 287.404 -0.522 20 0 CBADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001379081357 898462449 /nfs/dbraw/zinc/46/24/49/898462449.db2.gz GLJMCOYQBUPXOW-CHWSQXEVSA-N 1 3 287.404 -0.522 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379412046 898604058 /nfs/dbraw/zinc/60/40/58/898604058.db2.gz BNHVFOBHYOZTSM-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379421181 898605944 /nfs/dbraw/zinc/60/59/44/898605944.db2.gz SIPYDNAOWNCVGG-ZYHUDNBSSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379893781 898754828 /nfs/dbraw/zinc/75/48/28/898754828.db2.gz MQXAEBGPVPPIQR-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001380289370 898851801 /nfs/dbraw/zinc/85/18/01/898851801.db2.gz JMIHUCJVZBRERE-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001380289370 898851815 /nfs/dbraw/zinc/85/18/15/898851815.db2.gz JMIHUCJVZBRERE-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001380289372 898852955 /nfs/dbraw/zinc/85/29/55/898852955.db2.gz JMIHUCJVZBRERE-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001380289372 898852974 /nfs/dbraw/zinc/85/29/74/898852974.db2.gz JMIHUCJVZBRERE-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380689479 898933987 /nfs/dbraw/zinc/93/39/87/898933987.db2.gz PSYWWPWNBJWWBQ-RYUDHWBXSA-N 1 3 284.404 -0.504 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001380919231 898970751 /nfs/dbraw/zinc/97/07/51/898970751.db2.gz SOFQNZHOWOPXGP-DGCLKSJQSA-N 1 3 296.371 -0.196 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC1CC1 ZINC001381103546 898999109 /nfs/dbraw/zinc/99/91/09/898999109.db2.gz MUIKTAJVXPLBKQ-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277580 899022055 /nfs/dbraw/zinc/02/20/55/899022055.db2.gz DUVFWQWJQWHRHI-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277580 899022060 /nfs/dbraw/zinc/02/20/60/899022060.db2.gz DUVFWQWJQWHRHI-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(N)=O ZINC001382121557 899160677 /nfs/dbraw/zinc/16/06/77/899160677.db2.gz LYIYHNNNHYHYTE-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(N)=O ZINC001382121557 899160691 /nfs/dbraw/zinc/16/06/91/899160691.db2.gz LYIYHNNNHYHYTE-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385347760 899563920 /nfs/dbraw/zinc/56/39/20/899563920.db2.gz UBMZBZHABIYSFD-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001387781467 899829006 /nfs/dbraw/zinc/82/90/06/899829006.db2.gz SSFKGMBFPGXBOH-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001387781467 899829015 /nfs/dbraw/zinc/82/90/15/899829015.db2.gz SSFKGMBFPGXBOH-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001388057411 899862946 /nfs/dbraw/zinc/86/29/46/899862946.db2.gz KUPNAJIVWIRZRP-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 ZINC001389798190 900074676 /nfs/dbraw/zinc/07/46/76/900074676.db2.gz OMMPUZVSPRZMGR-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001389857505 900086615 /nfs/dbraw/zinc/08/66/15/900086615.db2.gz QYRVYHLEDXUAEF-XYPYZODXSA-N 1 3 282.388 -0.547 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001389903928 900088984 /nfs/dbraw/zinc/08/89/84/900088984.db2.gz YDOHJQZGWTVQRT-JOCQHMNTSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001389902409 900089142 /nfs/dbraw/zinc/08/91/42/900089142.db2.gz WGVXBNPPPVDGMG-YRGRVCCFSA-N 1 3 298.431 -0.102 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001390012538 900103589 /nfs/dbraw/zinc/10/35/89/900103589.db2.gz RWUIBJNHMZDLQA-MMWGEVLESA-N 1 3 270.377 -0.563 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001390015179 900103971 /nfs/dbraw/zinc/10/39/71/900103971.db2.gz YYUOLWNUZHGSPN-GARJFASQSA-N 1 3 270.377 -0.561 20 0 CBADHO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001390129139 900118996 /nfs/dbraw/zinc/11/89/96/900118996.db2.gz VPJQZYBESAEVFO-UHFFFAOYSA-N 1 3 293.371 -0.427 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390374003 900148508 /nfs/dbraw/zinc/14/85/08/900148508.db2.gz PLDQAUBYVJVLDR-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390374003 900148520 /nfs/dbraw/zinc/14/85/20/900148520.db2.gz PLDQAUBYVJVLDR-JHJVBQTASA-N 1 3 298.431 -0.053 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390411555 900153284 /nfs/dbraw/zinc/15/32/84/900153284.db2.gz XLRFFAFMLJERFG-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390411555 900153285 /nfs/dbraw/zinc/15/32/85/900153285.db2.gz XLRFFAFMLJERFG-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001390466059 900166955 /nfs/dbraw/zinc/16/69/55/900166955.db2.gz HMYFRHQNJGRLMQ-QWHCGFSZSA-N 1 3 296.419 -0.041 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390462743 900167409 /nfs/dbraw/zinc/16/74/09/900167409.db2.gz NHNZOJWRQFPICZ-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001390506784 900177974 /nfs/dbraw/zinc/17/79/74/900177974.db2.gz HZTSHQJWPDBPHE-JSGCOSHPSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390535298 900183270 /nfs/dbraw/zinc/18/32/70/900183270.db2.gz DGKKPPNMPQYYPX-NWDGAFQWSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001390537960 900184185 /nfs/dbraw/zinc/18/41/85/900184185.db2.gz YVAVSPBGRSJKFO-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001391199891 900334117 /nfs/dbraw/zinc/33/41/17/900334117.db2.gz HQEFPLNYZDOSFG-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001391230212 900346867 /nfs/dbraw/zinc/34/68/67/900346867.db2.gz UDPGGKPSBYFIRI-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001391697843 900434557 /nfs/dbraw/zinc/43/45/57/900434557.db2.gz WLEZCOFLMZHCNU-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(N)=O ZINC001391697843 900434567 /nfs/dbraw/zinc/43/45/67/900434567.db2.gz WLEZCOFLMZHCNU-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001391697841 900434983 /nfs/dbraw/zinc/43/49/83/900434983.db2.gz WLEZCOFLMZHCNU-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(N)=O ZINC001391697841 900434990 /nfs/dbraw/zinc/43/49/90/900434990.db2.gz WLEZCOFLMZHCNU-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392127421 900520132 /nfs/dbraw/zinc/52/01/32/900520132.db2.gz VWPNKKGDMLRZQA-MNOVXSKESA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H]1CCCN1C ZINC001392437388 900617788 /nfs/dbraw/zinc/61/77/88/900617788.db2.gz BWMOCRUVIUQHQX-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392487486 900635093 /nfs/dbraw/zinc/63/50/93/900635093.db2.gz MZLDTQHQTSYUJU-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806516 900726855 /nfs/dbraw/zinc/72/68/55/900726855.db2.gz XUFNZLIHKSTZEK-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806516 900726859 /nfs/dbraw/zinc/72/68/59/900726859.db2.gz XUFNZLIHKSTZEK-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001392791145 900727449 /nfs/dbraw/zinc/72/74/49/900727449.db2.gz DKSZUQXWGUGNDH-JQWIXIFHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[NH+](C)CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001456404213 914474439 /nfs/dbraw/zinc/47/44/39/914474439.db2.gz OUVZDEZORWBVFD-UHFFFAOYSA-N 1 3 282.388 -0.639 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001393055963 900786825 /nfs/dbraw/zinc/78/68/25/900786825.db2.gz QYSYQBWAPAYZGQ-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001393055970 900788269 /nfs/dbraw/zinc/78/82/69/900788269.db2.gz QYSYQBWAPAYZGQ-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393164065 900800561 /nfs/dbraw/zinc/80/05/61/900800561.db2.gz PODCRVLOTVXHJJ-DOMZBBRYSA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393165274 900800586 /nfs/dbraw/zinc/80/05/86/900800586.db2.gz PODCRVLOTVXHJJ-SWLSCSKDSA-N 1 3 296.415 -0.358 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001393393567 900851694 /nfs/dbraw/zinc/85/16/94/900851694.db2.gz HJHZWNVPWSAUQN-QWHCGFSZSA-N 1 3 298.431 -0.243 20 0 CBADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001394392585 901023554 /nfs/dbraw/zinc/02/35/54/901023554.db2.gz RWZLLKYBSMBKCO-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438384 901027794 /nfs/dbraw/zinc/02/77/94/901027794.db2.gz DXEFGRWFAFTLCO-WCQYABFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCN(C)C1=O ZINC001394536832 901046376 /nfs/dbraw/zinc/04/63/76/901046376.db2.gz FMPJNOFHUAXSMU-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCN(C)C1=O ZINC001394536832 901046385 /nfs/dbraw/zinc/04/63/85/901046385.db2.gz FMPJNOFHUAXSMU-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001394563801 901053559 /nfs/dbraw/zinc/05/35/59/901053559.db2.gz CAVLPHHBBOBHOY-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001394663066 901111671 /nfs/dbraw/zinc/11/16/71/901111671.db2.gz KNVDJWASPFYTAJ-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001394663048 901111694 /nfs/dbraw/zinc/11/16/94/901111694.db2.gz KNVDJWASPFYTAJ-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001397134413 901367043 /nfs/dbraw/zinc/36/70/43/901367043.db2.gz KTVQUFVPKNRBDV-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO O=C(C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)NC1CC1 ZINC001398537906 901552483 /nfs/dbraw/zinc/55/24/83/901552483.db2.gz SZXAKZRHAUACGG-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001398551545 901557850 /nfs/dbraw/zinc/55/78/50/901557850.db2.gz DQTXIFMSVUHXCP-XUXIUFHCSA-N 1 3 299.415 -0.428 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001398584185 901568221 /nfs/dbraw/zinc/56/82/21/901568221.db2.gz UYTHKSSCBWIIJD-JOCQHMNTSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001398633952 901578603 /nfs/dbraw/zinc/57/86/03/901578603.db2.gz HSWHIDUDWMERLC-DGCLKSJQSA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001398633952 901578612 /nfs/dbraw/zinc/57/86/12/901578612.db2.gz HSWHIDUDWMERLC-DGCLKSJQSA-N 1 3 296.415 -0.395 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001399096253 901662404 /nfs/dbraw/zinc/66/24/04/901662404.db2.gz BKSWAEXTJVIWPC-RYUDHWBXSA-N 1 3 282.392 -0.287 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001399096247 901663004 /nfs/dbraw/zinc/66/30/04/901663004.db2.gz BKSWAEXTJVIWPC-NEPJUHHUSA-N 1 3 282.392 -0.287 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399098406 901666615 /nfs/dbraw/zinc/66/66/15/901666615.db2.gz LMAVJRRSWUPUNN-YPMHNXCESA-N 1 3 286.420 -0.197 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001399170005 901677351 /nfs/dbraw/zinc/67/73/51/901677351.db2.gz GGORRDXTKKCFCY-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001399163833 901677706 /nfs/dbraw/zinc/67/77/06/901677706.db2.gz OFGVHSQLAPRDSZ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399486720 901734492 /nfs/dbraw/zinc/73/44/92/901734492.db2.gz QIZOFGIAZSNIDD-FRRDWIJNSA-N 1 3 287.404 -0.618 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399486720 901734499 /nfs/dbraw/zinc/73/44/99/901734499.db2.gz QIZOFGIAZSNIDD-FRRDWIJNSA-N 1 3 287.404 -0.618 20 0 CBADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399971391 901847600 /nfs/dbraw/zinc/84/76/00/901847600.db2.gz GZJLYMSALMGLMZ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399971391 901847604 /nfs/dbraw/zinc/84/76/04/901847604.db2.gz GZJLYMSALMGLMZ-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@@H](O)C[N@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001400011569 901854308 /nfs/dbraw/zinc/85/43/08/901854308.db2.gz GBXLZFPAXNNBGK-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001400011569 901854319 /nfs/dbraw/zinc/85/43/19/901854319.db2.gz GBXLZFPAXNNBGK-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001400051133 901864229 /nfs/dbraw/zinc/86/42/29/901864229.db2.gz JDKSZPPDCOSSNC-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064816 901871957 /nfs/dbraw/zinc/87/19/57/901871957.db2.gz DOGSFOOXEBRMQP-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064816 901871969 /nfs/dbraw/zinc/87/19/69/901871969.db2.gz DOGSFOOXEBRMQP-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001400841164 902026996 /nfs/dbraw/zinc/02/69/96/902026996.db2.gz BKEKMVSBUURXMD-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401117079 902057530 /nfs/dbraw/zinc/05/75/30/902057530.db2.gz OOBOGFRENFUNTA-AAEUAGOBSA-N 1 3 286.420 -0.340 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)CN1CCCC1 ZINC001401255585 902095260 /nfs/dbraw/zinc/09/52/60/902095260.db2.gz HKOHUXNHBHKBOL-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401260106 902095307 /nfs/dbraw/zinc/09/53/07/902095307.db2.gz WWZAECGZTTVSAT-MNOVXSKESA-N 1 3 282.388 -0.608 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001401265031 902096163 /nfs/dbraw/zinc/09/61/63/902096163.db2.gz YDQMNMPQDMEENQ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001401265031 902096179 /nfs/dbraw/zinc/09/61/79/902096179.db2.gz YDQMNMPQDMEENQ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001401357596 902109032 /nfs/dbraw/zinc/10/90/32/902109032.db2.gz GLJMCOYQBUPXOW-STQMWFEESA-N 1 3 287.404 -0.522 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001401357596 902109041 /nfs/dbraw/zinc/10/90/41/902109041.db2.gz GLJMCOYQBUPXOW-STQMWFEESA-N 1 3 287.404 -0.522 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001401605486 902185101 /nfs/dbraw/zinc/18/51/01/902185101.db2.gz PSVNRCMXERXYHR-MNOVXSKESA-N 1 3 272.393 -0.315 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001401594900 902182303 /nfs/dbraw/zinc/18/23/03/902182303.db2.gz BXWIOLHZFAPSIR-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401607728 902185889 /nfs/dbraw/zinc/18/58/89/902185889.db2.gz HCIPOWZRGMTKNO-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401607728 902185894 /nfs/dbraw/zinc/18/58/94/902185894.db2.gz HCIPOWZRGMTKNO-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001401609655 902188211 /nfs/dbraw/zinc/18/82/11/902188211.db2.gz LFJANGKTVMSJKN-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401654374 902209940 /nfs/dbraw/zinc/20/99/40/902209940.db2.gz UHBUZSOSVHJAAF-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CN[C@H](C)C(N)=O)[NH+](C)C ZINC001401678359 902222899 /nfs/dbraw/zinc/22/28/99/902222899.db2.gz BIJWWOTYFVBIMW-GMTAPVOTSA-N 1 3 272.393 -0.459 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001401685268 902231936 /nfs/dbraw/zinc/23/19/36/902231936.db2.gz KIWMRNIHKVXEGT-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC[NH+](C)C ZINC001401700971 902236745 /nfs/dbraw/zinc/23/67/45/902236745.db2.gz USXHPMVVGNVXKD-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401724210 902242840 /nfs/dbraw/zinc/24/28/40/902242840.db2.gz XPHCVWHTNALKHH-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401724210 902242858 /nfs/dbraw/zinc/24/28/58/902242858.db2.gz XPHCVWHTNALKHH-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877476 902296405 /nfs/dbraw/zinc/29/64/05/902296405.db2.gz SFZNQVQHSOFYTH-PWSUYJOCSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877460 902297819 /nfs/dbraw/zinc/29/78/19/902297819.db2.gz SFZNQVQHSOFYTH-CMPLNLGQSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001402195064 902379800 /nfs/dbraw/zinc/37/98/00/902379800.db2.gz JXDNWARCZOXLMS-HIFRSBDPSA-N 1 3 298.431 -0.114 20 0 CBADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001402445638 902451929 /nfs/dbraw/zinc/45/19/29/902451929.db2.gz RLUNLGDCSHUZAF-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001402514980 902469462 /nfs/dbraw/zinc/46/94/62/902469462.db2.gz JJROFXPLUNOACY-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001402530451 902472139 /nfs/dbraw/zinc/47/21/39/902472139.db2.gz YKNPOQHULGVVHR-CYBMUJFWSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001402528177 902472313 /nfs/dbraw/zinc/47/23/13/902472313.db2.gz HZSQQSCZHGAWOA-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402528177 902472318 /nfs/dbraw/zinc/47/23/18/902472318.db2.gz HZSQQSCZHGAWOA-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402528177 902472322 /nfs/dbraw/zinc/47/23/22/902472322.db2.gz HZSQQSCZHGAWOA-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001402520709 902472852 /nfs/dbraw/zinc/47/28/52/902472852.db2.gz ZECGBALSDYCXOC-JHJVBQTASA-N 1 3 294.403 -0.145 20 0 CBADHO NC(=O)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001402581417 902483713 /nfs/dbraw/zinc/48/37/13/902483713.db2.gz UDFNRGISZNMADK-UHFFFAOYSA-N 1 3 296.415 -0.024 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001402605746 902491483 /nfs/dbraw/zinc/49/14/83/902491483.db2.gz LIFGBAARVDOOHS-SDDRHHMPSA-N 1 3 282.388 -0.689 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001402635148 902494040 /nfs/dbraw/zinc/49/40/40/902494040.db2.gz UCXUJWTZTUTZPV-USZNOCQGSA-N 1 3 284.404 -0.173 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC)C1 ZINC001402787924 902518050 /nfs/dbraw/zinc/51/80/50/902518050.db2.gz NWWFMPICECMMKC-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC)C1 ZINC001402787924 902518058 /nfs/dbraw/zinc/51/80/58/902518058.db2.gz NWWFMPICECMMKC-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001402841690 902534578 /nfs/dbraw/zinc/53/45/78/902534578.db2.gz RMFDJBLWAQXRDQ-TUAOUCFPSA-N 1 3 286.420 -0.055 20 0 CBADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001402953240 902571317 /nfs/dbraw/zinc/57/13/17/902571317.db2.gz SWDMMCPYDYCCRD-BPCQOVAHSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001403075473 902607697 /nfs/dbraw/zinc/60/76/97/902607697.db2.gz KPAQRVQETLENFL-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001403075473 902607706 /nfs/dbraw/zinc/60/77/06/902607706.db2.gz KPAQRVQETLENFL-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCC1 ZINC001403080192 902608452 /nfs/dbraw/zinc/60/84/52/902608452.db2.gz IBEQYTQLHBJMIP-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149936 902630295 /nfs/dbraw/zinc/63/02/95/902630295.db2.gz ZENRVVKEAIIXJI-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149936 902630303 /nfs/dbraw/zinc/63/03/03/902630303.db2.gz ZENRVVKEAIIXJI-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149941 902630716 /nfs/dbraw/zinc/63/07/16/902630716.db2.gz ZENRVVKEAIIXJI-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001403149941 902630725 /nfs/dbraw/zinc/63/07/25/902630725.db2.gz ZENRVVKEAIIXJI-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001403213682 902650754 /nfs/dbraw/zinc/65/07/54/902650754.db2.gz RMOAPODHEGMDSO-NSHDSACASA-N 1 3 291.417 -0.827 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001403215711 902650943 /nfs/dbraw/zinc/65/09/43/902650943.db2.gz YKUSKMWBOYDLBN-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001403404539 902685360 /nfs/dbraw/zinc/68/53/60/902685360.db2.gz FKOFIUSRGWJTCS-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO CC[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593148 902743327 /nfs/dbraw/zinc/74/33/27/902743327.db2.gz DGACPEILLHNRPX-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001403594723 902743456 /nfs/dbraw/zinc/74/34/56/902743456.db2.gz JBQKNYCPUDEEMR-WOPDTQHZSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001403594723 902743465 /nfs/dbraw/zinc/74/34/65/902743465.db2.gz JBQKNYCPUDEEMR-WOPDTQHZSA-N 1 3 284.404 -0.362 20 0 CBADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750464 902835335 /nfs/dbraw/zinc/83/53/35/902835335.db2.gz RQGSBCZFEFWKTQ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001403764778 902842300 /nfs/dbraw/zinc/84/23/00/902842300.db2.gz YOPNCCOJMUAPIV-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001403766845 902843833 /nfs/dbraw/zinc/84/38/33/902843833.db2.gz KEWWCQKMKPQFSI-VXGBXAGGSA-N 1 3 294.399 -0.593 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001404309804 902969032 /nfs/dbraw/zinc/96/90/32/902969032.db2.gz FDGJUTKEYYCPAA-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001404329918 902974471 /nfs/dbraw/zinc/97/44/71/902974471.db2.gz PLRMBEZSGIZNML-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001404522641 902995064 /nfs/dbraw/zinc/99/50/64/902995064.db2.gz WIAMUSSUWFWJKM-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001404522641 902995079 /nfs/dbraw/zinc/99/50/79/902995079.db2.gz WIAMUSSUWFWJKM-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404903323 903049694 /nfs/dbraw/zinc/04/96/94/903049694.db2.gz KFIQZNHGBIVYAR-CYBMUJFWSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404917875 903057075 /nfs/dbraw/zinc/05/70/75/903057075.db2.gz DAPCAWXHCFTIIO-TZMCWYRMSA-N 1 3 299.415 -0.617 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001404917875 903057083 /nfs/dbraw/zinc/05/70/83/903057083.db2.gz DAPCAWXHCFTIIO-TZMCWYRMSA-N 1 3 299.415 -0.617 20 0 CBADHO C[C@H](O)CN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001404927035 903057650 /nfs/dbraw/zinc/05/76/50/903057650.db2.gz ZWSZRZLXUNVXPC-LBPRGKRZSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]CC(N)=O ZINC001405362303 903154638 /nfs/dbraw/zinc/15/46/38/903154638.db2.gz GFYXYYXTLRKWGE-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001405824513 903228372 /nfs/dbraw/zinc/22/83/72/903228372.db2.gz ZCXWPQUDUVZKCG-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001405824513 903228387 /nfs/dbraw/zinc/22/83/87/903228387.db2.gz ZCXWPQUDUVZKCG-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875513 903242463 /nfs/dbraw/zinc/24/24/63/903242463.db2.gz VALHBUKWMGRHKM-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C(N)=O ZINC001405884808 903246576 /nfs/dbraw/zinc/24/65/76/903246576.db2.gz HAJIAACVRHWYOL-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001405956470 903248185 /nfs/dbraw/zinc/24/81/85/903248185.db2.gz BFWFMYBTXPMBMV-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001406257937 903331467 /nfs/dbraw/zinc/33/14/67/903331467.db2.gz HELRFKNQBQZIHO-OLZOCXBDSA-N 1 3 297.403 -0.673 20 0 CBADHO Cc1cc(CNC[C@H](O)CNC(=O)C[NH+]2CCCC2)on1 ZINC001406291445 903341486 /nfs/dbraw/zinc/34/14/86/903341486.db2.gz OAYVDZHEKNUTJR-LBPRGKRZSA-N 1 3 296.371 -0.354 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1CCCCN1C ZINC001406320356 903355241 /nfs/dbraw/zinc/35/52/41/903355241.db2.gz GMGUCKAUDXCYKL-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1CCCCN1C ZINC001406320365 903355576 /nfs/dbraw/zinc/35/55/76/903355576.db2.gz GMGUCKAUDXCYKL-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406321429 903356274 /nfs/dbraw/zinc/35/62/74/903356274.db2.gz DXGYYYPRFBCQLQ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406321429 903356288 /nfs/dbraw/zinc/35/62/88/903356288.db2.gz DXGYYYPRFBCQLQ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CN[C@@H]1CCNC1=O)[NH+](C)C ZINC001406371471 903376946 /nfs/dbraw/zinc/37/69/46/903376946.db2.gz XLZLGKFVXVJOJN-UTUOFQBUSA-N 1 3 284.404 -0.445 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001406400770 903392586 /nfs/dbraw/zinc/39/25/86/903392586.db2.gz DPQKWTTWYDBUSY-MXWKQRLJSA-N 1 3 270.377 -0.691 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001406412071 903394761 /nfs/dbraw/zinc/39/47/61/903394761.db2.gz RYRICKGOYRSYJX-MNOVXSKESA-N 1 3 280.372 -0.935 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001406524271 903422548 /nfs/dbraw/zinc/42/25/48/903422548.db2.gz WHLYIIONCYMPJG-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001406531818 903425757 /nfs/dbraw/zinc/42/57/57/903425757.db2.gz JILQQOCLZWOVIT-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001406561431 903433568 /nfs/dbraw/zinc/43/35/68/903433568.db2.gz NUQGRMVJVKTHFN-WDEREUQCSA-N 1 3 270.377 -0.691 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001408213049 903731457 /nfs/dbraw/zinc/73/14/57/903731457.db2.gz RTGASCTYCBETHK-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001408303418 903749495 /nfs/dbraw/zinc/74/94/95/903749495.db2.gz QVXQHJXXZPZHCH-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384711 903894167 /nfs/dbraw/zinc/89/41/67/903894167.db2.gz HBEHQBGWHXEQMZ-GHMZBOCLSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409443633 903902542 /nfs/dbraw/zinc/90/25/42/903902542.db2.gz CIDZESMWXFANJT-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001410618102 904144841 /nfs/dbraw/zinc/14/48/41/904144841.db2.gz GVRCFPINJQMITA-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867298 904199236 /nfs/dbraw/zinc/19/92/36/904199236.db2.gz PTEUTXWJFQHRBZ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218532 904261741 /nfs/dbraw/zinc/26/17/41/904261741.db2.gz PYDKQCIJSQNRHT-NWDGAFQWSA-N 1 3 298.431 -0.066 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C(C)(C)C)C1 ZINC001411218532 904261751 /nfs/dbraw/zinc/26/17/51/904261751.db2.gz PYDKQCIJSQNRHT-NWDGAFQWSA-N 1 3 298.431 -0.066 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001507453737 921824490 /nfs/dbraw/zinc/82/44/90/921824490.db2.gz MXSBNULMWGBQMW-GFCCVEGCSA-N 1 3 298.431 -0.101 20 0 CBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001414797040 905515704 /nfs/dbraw/zinc/51/57/04/905515704.db2.gz PJVCTDQSHPJEKF-NSHDSACASA-N 1 3 293.371 -0.379 20 0 CBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001416006605 905691925 /nfs/dbraw/zinc/69/19/25/905691925.db2.gz ZJZSUUFYXWLYHU-UHFFFAOYSA-N 1 3 284.404 -0.395 20 0 CBADHO CC[C@@H](C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001416125688 905716083 /nfs/dbraw/zinc/71/60/83/905716083.db2.gz HHVIBXPMYKUHNT-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001416815449 905810510 /nfs/dbraw/zinc/81/05/10/905810510.db2.gz GZELUMCKVNDZHJ-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001416815449 905810524 /nfs/dbraw/zinc/81/05/24/905810524.db2.gz GZELUMCKVNDZHJ-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001418066118 906156292 /nfs/dbraw/zinc/15/62/92/906156292.db2.gz ZCECHJDIBDVJQJ-BJDJZHNGSA-N 1 3 282.388 -0.548 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001418103562 906168786 /nfs/dbraw/zinc/16/87/86/906168786.db2.gz LGRFPGZVZBHIBS-XQQFMLRXSA-N 1 3 296.415 -0.204 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001418112288 906171402 /nfs/dbraw/zinc/17/14/02/906171402.db2.gz FCFXZLKDNPYHTR-FRRDWIJNSA-N 1 3 287.404 -0.429 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001418179763 906188102 /nfs/dbraw/zinc/18/81/02/906188102.db2.gz BFSQAHIBLCGEFG-QNSTZXKLSA-N 1 3 283.416 0.000 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)N(C)C ZINC001418179763 906188118 /nfs/dbraw/zinc/18/81/18/906188118.db2.gz BFSQAHIBLCGEFG-QNSTZXKLSA-N 1 3 283.416 0.000 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001418232074 906230187 /nfs/dbraw/zinc/23/01/87/906230187.db2.gz BRKQOXIHIZKKHH-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001418240221 906232172 /nfs/dbraw/zinc/23/21/72/906232172.db2.gz YFCGFBVMKFCJHI-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC1CC1 ZINC001418264419 906249023 /nfs/dbraw/zinc/24/90/23/906249023.db2.gz CIARNDMINUDUJT-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001418296911 906271050 /nfs/dbraw/zinc/27/10/50/906271050.db2.gz CHTPHZGXSNRAGC-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001418296911 906271070 /nfs/dbraw/zinc/27/10/70/906271070.db2.gz CHTPHZGXSNRAGC-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001418336716 906289610 /nfs/dbraw/zinc/28/96/10/906289610.db2.gz VATBNRMMQIINBA-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001418345799 906292736 /nfs/dbraw/zinc/29/27/36/906292736.db2.gz CWZWEANHMVAXRT-AAEUAGOBSA-N 1 3 284.404 -0.504 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418351624 906294357 /nfs/dbraw/zinc/29/43/57/906294357.db2.gz WZJNYOJWRVTKPQ-JSGCOSHPSA-N 1 3 298.431 -0.243 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001418519316 906384098 /nfs/dbraw/zinc/38/40/98/906384098.db2.gz JPTKIAJROYUMBT-CYBMUJFWSA-N 1 3 293.415 -0.038 20 0 CBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001418519316 906384110 /nfs/dbraw/zinc/38/41/10/906384110.db2.gz JPTKIAJROYUMBT-CYBMUJFWSA-N 1 3 293.415 -0.038 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001418821633 906488935 /nfs/dbraw/zinc/48/89/35/906488935.db2.gz RRVFYNKIJIUALT-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001418821633 906488940 /nfs/dbraw/zinc/48/89/40/906488940.db2.gz RRVFYNKIJIUALT-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001418827130 906489379 /nfs/dbraw/zinc/48/93/79/906489379.db2.gz LHHWCVLZLCWOBL-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905460 906510450 /nfs/dbraw/zinc/51/04/50/906510450.db2.gz SCWAUKVVZYRSRT-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419190774 906634008 /nfs/dbraw/zinc/63/40/08/906634008.db2.gz FMFFRXXYBHWZNG-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001419201674 906637756 /nfs/dbraw/zinc/63/77/56/906637756.db2.gz SRUGXVARPPNKBI-NWDGAFQWSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001419214555 906642415 /nfs/dbraw/zinc/64/24/15/906642415.db2.gz DEDBJGBULCUETR-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO NC(=O)CN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001419251666 906652247 /nfs/dbraw/zinc/65/22/47/906652247.db2.gz JGERCUPWAPNVOE-LBPRGKRZSA-N 1 3 294.399 -0.416 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001419572561 906732000 /nfs/dbraw/zinc/73/20/00/906732000.db2.gz SNWMYWNAQMHBLE-OLZOCXBDSA-N 1 3 296.415 -0.358 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)CC[N@@H+]1C ZINC001419673801 906758784 /nfs/dbraw/zinc/75/87/84/906758784.db2.gz LMUKLESBVFJOSH-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)CC[N@H+]1C ZINC001419673801 906758790 /nfs/dbraw/zinc/75/87/90/906758790.db2.gz LMUKLESBVFJOSH-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(N)=O)CC[N@@H+]1C ZINC001419673797 906761463 /nfs/dbraw/zinc/76/14/63/906761463.db2.gz LMUKLESBVFJOSH-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(N)=O)CC[N@H+]1C ZINC001419673797 906761470 /nfs/dbraw/zinc/76/14/70/906761470.db2.gz LMUKLESBVFJOSH-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001419748622 906802158 /nfs/dbraw/zinc/80/21/58/906802158.db2.gz QSLRMBNMAXBVBG-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419749327 906802953 /nfs/dbraw/zinc/80/29/53/906802953.db2.gz RVKCKJXEQIWBMM-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419749327 906802965 /nfs/dbraw/zinc/80/29/65/906802965.db2.gz RVKCKJXEQIWBMM-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001419780133 906810543 /nfs/dbraw/zinc/81/05/43/906810543.db2.gz YMLBOUDZXGPEHC-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419831279 906827270 /nfs/dbraw/zinc/82/72/70/906827270.db2.gz NWVWNHKVAXZYGV-MNOVXSKESA-N 1 3 293.371 -0.346 20 0 CBADHO CC[C@H](N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843879 906831353 /nfs/dbraw/zinc/83/13/53/906831353.db2.gz UYFBDXJINIIUAT-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902635 906850023 /nfs/dbraw/zinc/85/00/23/906850023.db2.gz ONHURLQBDFNSMP-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001419902635 906850040 /nfs/dbraw/zinc/85/00/40/906850040.db2.gz ONHURLQBDFNSMP-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1)N(C)C ZINC001419894314 906850849 /nfs/dbraw/zinc/85/08/49/906850849.db2.gz HZMYELSQMAULSU-PWSUYJOCSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001419909085 906855527 /nfs/dbraw/zinc/85/55/27/906855527.db2.gz QHBPOLNDWQMNTI-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001419928681 906859195 /nfs/dbraw/zinc/85/91/95/906859195.db2.gz AGAXGJBNXYMRFV-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420013633 906901235 /nfs/dbraw/zinc/90/12/35/906901235.db2.gz XJYQPPAZZHPVNI-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001420013629 906902454 /nfs/dbraw/zinc/90/24/54/906902454.db2.gz XJYQPPAZZHPVNI-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001420116195 906954144 /nfs/dbraw/zinc/95/41/44/906954144.db2.gz XTGGAOCZBPZSRT-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001420246400 907044685 /nfs/dbraw/zinc/04/46/85/907044685.db2.gz OUSIXFAJKHNCQX-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001420247313 907045968 /nfs/dbraw/zinc/04/59/68/907045968.db2.gz DPHJQUZPMFWUPJ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420247313 907045974 /nfs/dbraw/zinc/04/59/74/907045974.db2.gz DPHJQUZPMFWUPJ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001420304602 907082218 /nfs/dbraw/zinc/08/22/18/907082218.db2.gz AIHQKFJYBBKTSW-IJLUTSLNSA-N 1 3 286.420 -0.102 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420336423 907110475 /nfs/dbraw/zinc/11/04/75/907110475.db2.gz AGCXQFORHQNIIU-UPJWGTAASA-N 1 3 287.404 -0.570 20 0 CBADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001420370128 907123203 /nfs/dbraw/zinc/12/32/03/907123203.db2.gz DVGKYWBRJBWPME-VXGBXAGGSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001420461445 907173351 /nfs/dbraw/zinc/17/33/51/907173351.db2.gz DJAYAMWDTUVWNI-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420462495 907175696 /nfs/dbraw/zinc/17/56/96/907175696.db2.gz JBZGYJPFWPNXEL-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001420726571 907286586 /nfs/dbraw/zinc/28/65/86/907286586.db2.gz MLOBPLYJFVNAPG-SNVBAGLBSA-N 1 3 270.377 -0.750 20 0 CBADHO CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN1CCCC1 ZINC001420741611 907289316 /nfs/dbraw/zinc/28/93/16/907289316.db2.gz IWZWRWKDBSPXSX-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001420765672 907298153 /nfs/dbraw/zinc/29/81/53/907298153.db2.gz ZWAMCUKUZXSAPO-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001420788379 907299872 /nfs/dbraw/zinc/29/98/72/907299872.db2.gz CMPRXCBVWLHSMB-AAEUAGOBSA-N 1 3 284.404 -0.458 20 0 CBADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1)C1CCC1 ZINC001421370268 907512453 /nfs/dbraw/zinc/51/24/53/907512453.db2.gz RRYGQZAEHRWUER-CQSZACIVSA-N 1 3 285.388 -0.984 20 0 CBADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)C1CCC1 ZINC001421370268 907512470 /nfs/dbraw/zinc/51/24/70/907512470.db2.gz RRYGQZAEHRWUER-CQSZACIVSA-N 1 3 285.388 -0.984 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421383772 907517440 /nfs/dbraw/zinc/51/74/40/907517440.db2.gz CSIYGLRZSDPOKZ-OCCSQVGLSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001421383772 907517448 /nfs/dbraw/zinc/51/74/48/907517448.db2.gz CSIYGLRZSDPOKZ-OCCSQVGLSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001421421365 907539432 /nfs/dbraw/zinc/53/94/32/907539432.db2.gz KFNPEGZJWPUKCA-AAEUAGOBSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483279 907562648 /nfs/dbraw/zinc/56/26/48/907562648.db2.gz AHJJQHNLRVXVKE-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483279 907562662 /nfs/dbraw/zinc/56/26/62/907562662.db2.gz AHJJQHNLRVXVKE-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483275 907562938 /nfs/dbraw/zinc/56/29/38/907562938.db2.gz AHJJQHNLRVXVKE-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421483275 907562954 /nfs/dbraw/zinc/56/29/54/907562954.db2.gz AHJJQHNLRVXVKE-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC1 ZINC001421561139 907579980 /nfs/dbraw/zinc/57/99/80/907579980.db2.gz OHVSQGCLNCASSE-OAHLLOKOSA-N 1 3 296.415 -0.312 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421548762 907581420 /nfs/dbraw/zinc/58/14/20/907581420.db2.gz DNGHQVMQZOXXDM-OLZOCXBDSA-N 1 3 298.431 -0.242 20 0 CBADHO C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001421626456 907595367 /nfs/dbraw/zinc/59/53/67/907595367.db2.gz QVOPIWCADPCGJX-TZMCWYRMSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001421660477 907605260 /nfs/dbraw/zinc/60/52/60/907605260.db2.gz SLPYUARCSZHKME-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001421924099 907681032 /nfs/dbraw/zinc/68/10/32/907681032.db2.gz CAMWOLDCUVMJFD-VXGBXAGGSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001421981136 907694179 /nfs/dbraw/zinc/69/41/79/907694179.db2.gz IJLVNAZIMVGJBB-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421996810 907700177 /nfs/dbraw/zinc/70/01/77/907700177.db2.gz XESDDAMMNAXMIG-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421996810 907700188 /nfs/dbraw/zinc/70/01/88/907700188.db2.gz XESDDAMMNAXMIG-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001422057872 907709166 /nfs/dbraw/zinc/70/91/66/907709166.db2.gz YBIGZCOJDSZFEA-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001422490111 907892485 /nfs/dbraw/zinc/89/24/85/907892485.db2.gz YMFXFAMLVJCGPM-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001422490111 907892498 /nfs/dbraw/zinc/89/24/98/907892498.db2.gz YMFXFAMLVJCGPM-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001422503906 907898932 /nfs/dbraw/zinc/89/89/32/907898932.db2.gz DEVZRRQAFUHEAV-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422588643 907937796 /nfs/dbraw/zinc/93/77/96/907937796.db2.gz FXFNCEAKCNMDGR-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422588643 907937809 /nfs/dbraw/zinc/93/78/09/907937809.db2.gz FXFNCEAKCNMDGR-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422727932 907985112 /nfs/dbraw/zinc/98/51/12/907985112.db2.gz FQQHMIYNEAYYII-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422727932 907985122 /nfs/dbraw/zinc/98/51/22/907985122.db2.gz FQQHMIYNEAYYII-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422727937 907988927 /nfs/dbraw/zinc/98/89/27/907988927.db2.gz FQQHMIYNEAYYII-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422727937 907988938 /nfs/dbraw/zinc/98/89/38/907988938.db2.gz FQQHMIYNEAYYII-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001423039961 908086044 /nfs/dbraw/zinc/08/60/44/908086044.db2.gz GXJWDXCSKRTQHL-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001423039961 908086057 /nfs/dbraw/zinc/08/60/57/908086057.db2.gz GXJWDXCSKRTQHL-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO NC(=O)CNC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001423062147 908094808 /nfs/dbraw/zinc/09/48/08/908094808.db2.gz PKLICZIMBYJZHX-ZDUSSCGKSA-N 1 3 296.415 -0.168 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423103324 908109342 /nfs/dbraw/zinc/10/93/42/908109342.db2.gz KVZHIXMZLQNNOX-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423173133 908125932 /nfs/dbraw/zinc/12/59/32/908125932.db2.gz YYPPFIIDFWEQRX-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423173133 908125940 /nfs/dbraw/zinc/12/59/40/908125940.db2.gz YYPPFIIDFWEQRX-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001423339446 908208015 /nfs/dbraw/zinc/20/80/15/908208015.db2.gz IFUCTWSTPUDXPO-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001423472170 908246840 /nfs/dbraw/zinc/24/68/40/908246840.db2.gz UPZNNUIYQKPXSC-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001423967928 908375653 /nfs/dbraw/zinc/37/56/53/908375653.db2.gz XRIIKJTZVWLSLE-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424733231 908494290 /nfs/dbraw/zinc/49/42/90/908494290.db2.gz GRJFANAGNATLDK-BPCQOVAHSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424796105 908510522 /nfs/dbraw/zinc/51/05/22/908510522.db2.gz XDQIMSKHHAITJW-QWRGUYRKSA-N 1 3 282.388 -0.417 20 0 CBADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001425316848 908616924 /nfs/dbraw/zinc/61/69/24/908616924.db2.gz AOZFXPLHTAQIIB-ZDEQEGDKSA-N 1 3 296.415 -0.633 20 0 CBADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001425600912 908680178 /nfs/dbraw/zinc/68/01/78/908680178.db2.gz URLCEUJLAFYLAQ-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+](C)C ZINC001425886712 908776147 /nfs/dbraw/zinc/77/61/47/908776147.db2.gz UTFJBXYLTLLASL-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425953461 908787177 /nfs/dbraw/zinc/78/71/77/908787177.db2.gz CFWDKOASCBNHOB-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001425978970 908792883 /nfs/dbraw/zinc/79/28/83/908792883.db2.gz XFRRXNQBMXXDBK-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001425978966 908794767 /nfs/dbraw/zinc/79/47/67/908794767.db2.gz XFRRXNQBMXXDBK-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426001906 908800258 /nfs/dbraw/zinc/80/02/58/908800258.db2.gz HWHVTKDSPNYDRR-VXGBXAGGSA-N 1 3 287.404 -0.740 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426001894 908802755 /nfs/dbraw/zinc/80/27/55/908802755.db2.gz HWHVTKDSPNYDRR-NWDGAFQWSA-N 1 3 287.404 -0.740 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001426076900 908821819 /nfs/dbraw/zinc/82/18/19/908821819.db2.gz KLUGHLXWQYPZTQ-ZIAGYGMSSA-N 1 3 299.415 -0.928 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]CCCO)CCC1 ZINC001507485469 921846303 /nfs/dbraw/zinc/84/63/03/921846303.db2.gz YLNPPWMSRWPJOM-GFCCVEGCSA-N 1 3 287.404 -0.738 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680095 921463402 /nfs/dbraw/zinc/46/34/02/921463402.db2.gz ZGLDRGMKPMENCY-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505683258 921467496 /nfs/dbraw/zinc/46/74/96/921467496.db2.gz YTZINRDHBYDTKL-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C(=O)CN(C)C1CCC1 ZINC001429471225 909246701 /nfs/dbraw/zinc/24/67/01/909246701.db2.gz OOZCIKWIWODINC-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001430698822 909380739 /nfs/dbraw/zinc/38/07/39/909380739.db2.gz SVVULVUGYSXEPN-JTQLQIEISA-N 1 3 295.387 -0.167 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001436283189 910421690 /nfs/dbraw/zinc/42/16/90/910421690.db2.gz MQIFZJISLICLLQ-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001436875837 910498001 /nfs/dbraw/zinc/49/80/01/910498001.db2.gz BXRUCPKRPVEOJS-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001437217335 910588005 /nfs/dbraw/zinc/58/80/05/910588005.db2.gz UERHQUMQASROKZ-AAEUAGOBSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001437263174 910603259 /nfs/dbraw/zinc/60/32/59/910603259.db2.gz ROMIWKQXJWBJAW-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001437263174 910603268 /nfs/dbraw/zinc/60/32/68/910603268.db2.gz ROMIWKQXJWBJAW-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001437258414 910603647 /nfs/dbraw/zinc/60/36/47/910603647.db2.gz HHGCCHIVJQWGHF-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001437258414 910603657 /nfs/dbraw/zinc/60/36/57/910603657.db2.gz HHGCCHIVJQWGHF-VXGBXAGGSA-N 1 3 279.388 -0.034 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001437836637 910761626 /nfs/dbraw/zinc/76/16/26/910761626.db2.gz BWGMHAZUWMTRAX-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001437842043 910768173 /nfs/dbraw/zinc/76/81/73/910768173.db2.gz IGEUBTUCQKDGHI-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001438553749 910916286 /nfs/dbraw/zinc/91/62/86/910916286.db2.gz QNEFYCUPKPGIIW-GFCCVEGCSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001438637599 910939303 /nfs/dbraw/zinc/93/93/03/910939303.db2.gz OZIYIXPGCSIZEV-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN1CCCC1 ZINC001438725847 910961365 /nfs/dbraw/zinc/96/13/65/910961365.db2.gz XBVSFTBRMZYLLN-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001506837747 921625984 /nfs/dbraw/zinc/62/59/84/921625984.db2.gz TUMXEHAGUZNJOK-OLZOCXBDSA-N 1 3 299.415 -0.332 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001439076292 911088534 /nfs/dbraw/zinc/08/85/34/911088534.db2.gz XNRXQFKSQGVMLK-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439125647 911110475 /nfs/dbraw/zinc/11/04/75/911110475.db2.gz DJGOLXREFOAODR-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439125647 911110490 /nfs/dbraw/zinc/11/04/90/911110490.db2.gz DJGOLXREFOAODR-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001439151971 911119008 /nfs/dbraw/zinc/11/90/08/911119008.db2.gz GBTKXUCTUJKFON-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001439155737 911119093 /nfs/dbraw/zinc/11/90/93/911119093.db2.gz XOQPWLUPQLWNAM-UTUOFQBUSA-N 1 3 284.404 -0.348 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001439149567 911120701 /nfs/dbraw/zinc/12/07/01/911120701.db2.gz NPQXEPLDZKHUBB-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001439149567 911120710 /nfs/dbraw/zinc/12/07/10/911120710.db2.gz NPQXEPLDZKHUBB-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001439182965 911128298 /nfs/dbraw/zinc/12/82/98/911128298.db2.gz XCQXLYHNLBOLAA-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001439181549 911129910 /nfs/dbraw/zinc/12/99/10/911129910.db2.gz FJZYNCPGEVTHPT-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001439176028 911130789 /nfs/dbraw/zinc/13/07/89/911130789.db2.gz NIOJNEASZRQAHN-YPMHNXCESA-N 1 3 286.420 -0.245 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001439454964 911210968 /nfs/dbraw/zinc/21/09/68/911210968.db2.gz JOLPYSVVBROEIR-CYBMUJFWSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439460994 911215943 /nfs/dbraw/zinc/21/59/43/911215943.db2.gz ZBHOYYSNTVANRS-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001439460994 911215962 /nfs/dbraw/zinc/21/59/62/911215962.db2.gz ZBHOYYSNTVANRS-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001439460994 911215981 /nfs/dbraw/zinc/21/59/81/911215981.db2.gz ZBHOYYSNTVANRS-STQMWFEESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001441361090 911653101 /nfs/dbraw/zinc/65/31/01/911653101.db2.gz RYQCADVURZJRLS-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001441383409 911656529 /nfs/dbraw/zinc/65/65/29/911656529.db2.gz ZLNQVVHXYLPRFJ-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001441403284 911661484 /nfs/dbraw/zinc/66/14/84/911661484.db2.gz LGRFPGZVZBHIBS-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507126870 921684377 /nfs/dbraw/zinc/68/43/77/921684377.db2.gz OKKYEUATCINMCM-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507126870 921684382 /nfs/dbraw/zinc/68/43/82/921684382.db2.gz OKKYEUATCINMCM-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC(N)=O)[NH+](C)C ZINC001441625260 911715301 /nfs/dbraw/zinc/71/53/01/911715301.db2.gz XAWGRDSIBVBWFM-CMPLNLGQSA-N 1 3 272.393 -0.506 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441826706 911825291 /nfs/dbraw/zinc/82/52/91/911825291.db2.gz NEZQGUXLRQTRRP-QWHCGFSZSA-N 1 3 287.404 -0.570 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001441937137 911858092 /nfs/dbraw/zinc/85/80/92/911858092.db2.gz KMISLZINEBGNRK-VHSXEESVSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441936974 911859944 /nfs/dbraw/zinc/85/99/44/911859944.db2.gz QLNLDLHSQIYBCY-VXGBXAGGSA-N 1 3 296.415 -0.489 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441936974 911859957 /nfs/dbraw/zinc/85/99/57/911859957.db2.gz QLNLDLHSQIYBCY-VXGBXAGGSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001441943482 911863532 /nfs/dbraw/zinc/86/35/32/911863532.db2.gz SYTSKNAFDGBQSD-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001441943496 911864331 /nfs/dbraw/zinc/86/43/31/911864331.db2.gz SYTSKNAFDGBQSD-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442139453 911937157 /nfs/dbraw/zinc/93/71/57/911937157.db2.gz OZTMCROGYDJKBH-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001443077928 912146993 /nfs/dbraw/zinc/14/69/93/912146993.db2.gz JDXDIGOVKFOJTA-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443314986 912185548 /nfs/dbraw/zinc/18/55/48/912185548.db2.gz AUNFPVBRXNXVTE-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO C[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001462667501 914888298 /nfs/dbraw/zinc/88/82/98/914888298.db2.gz OVTLWUMHBSGLKN-LSDHHAIUSA-N 1 3 283.416 -0.104 20 0 CBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001479320730 916120235 /nfs/dbraw/zinc/12/02/35/916120235.db2.gz HANGFAYCPQPMPQ-TXEJJXNPSA-N 1 3 298.431 -0.066 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)CCn1cncn1 ZINC001479762358 916165034 /nfs/dbraw/zinc/16/50/34/916165034.db2.gz NTTFLNDFGPHNTM-ZDUSSCGKSA-N 1 3 294.403 -0.190 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCn1cncn1 ZINC001479762358 916165040 /nfs/dbraw/zinc/16/50/40/916165040.db2.gz NTTFLNDFGPHNTM-ZDUSSCGKSA-N 1 3 294.403 -0.190 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001480065949 916276045 /nfs/dbraw/zinc/27/60/45/916276045.db2.gz LKRYLPMSKBHSTM-CYBMUJFWSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061294 916276261 /nfs/dbraw/zinc/27/62/61/916276261.db2.gz HDGNYMBNSXRBRM-NEPJUHHUSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061294 916276281 /nfs/dbraw/zinc/27/62/81/916276281.db2.gz HDGNYMBNSXRBRM-NEPJUHHUSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061297 916279126 /nfs/dbraw/zinc/27/91/26/916279126.db2.gz HDGNYMBNSXRBRM-VXGBXAGGSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061297 916279145 /nfs/dbraw/zinc/27/91/45/916279145.db2.gz HDGNYMBNSXRBRM-VXGBXAGGSA-N 1 3 282.388 -0.832 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001480158339 916312221 /nfs/dbraw/zinc/31/22/21/916312221.db2.gz NADHLFKERHTFIV-SRVKXCTJSA-N 1 3 284.404 -0.348 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001480460868 916421348 /nfs/dbraw/zinc/42/13/48/916421348.db2.gz XZMPSCDYSZHWGN-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001480460868 916421360 /nfs/dbraw/zinc/42/13/60/916421360.db2.gz XZMPSCDYSZHWGN-GHMZBOCLSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480478479 916429967 /nfs/dbraw/zinc/42/99/67/916429967.db2.gz ZFMBAHVHFIQFPU-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H](C)O ZINC001480475814 916430320 /nfs/dbraw/zinc/43/03/20/916430320.db2.gz UNNNMIFFZRWIGB-MNOVXSKESA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1cnn(C)c1 ZINC001480531039 916460385 /nfs/dbraw/zinc/46/03/85/916460385.db2.gz SYEUFXPQWKHVEK-LLVKDONJSA-N 1 3 267.377 -0.034 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530441 916461948 /nfs/dbraw/zinc/46/19/48/916461948.db2.gz GVTNOALBTJORLX-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001481239768 916781721 /nfs/dbraw/zinc/78/17/21/916781721.db2.gz YFKQLGYNSDOJRY-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481280856 916805960 /nfs/dbraw/zinc/80/59/60/916805960.db2.gz YXCRVMDYAWYJLR-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481280856 916805982 /nfs/dbraw/zinc/80/59/82/916805982.db2.gz YXCRVMDYAWYJLR-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC ZINC001481820309 916994524 /nfs/dbraw/zinc/99/45/24/916994524.db2.gz MDDZTSSSHFYIJT-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001482062895 917038799 /nfs/dbraw/zinc/03/87/99/917038799.db2.gz HMJLNLZCIJGLEC-UTUOFQBUSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482295687 917117549 /nfs/dbraw/zinc/11/75/49/917117549.db2.gz DTNMQBLJVOVYTE-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482295687 917117560 /nfs/dbraw/zinc/11/75/60/917117560.db2.gz DTNMQBLJVOVYTE-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329337 917132781 /nfs/dbraw/zinc/13/27/81/917132781.db2.gz AKHAJUKBKRHXDJ-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482329337 917132786 /nfs/dbraw/zinc/13/27/86/917132786.db2.gz AKHAJUKBKRHXDJ-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cncn1C ZINC001482799606 917290398 /nfs/dbraw/zinc/29/03/98/917290398.db2.gz QXHLYPFMFMANRT-CYBMUJFWSA-N 1 3 297.403 -0.673 20 0 CBADHO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482840656 917308488 /nfs/dbraw/zinc/30/84/88/917308488.db2.gz YFXWPOQAJOTZKW-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925162 917336333 /nfs/dbraw/zinc/33/63/33/917336333.db2.gz LZLHFQRNLAFDHA-QJPTWQEYSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482925162 917336349 /nfs/dbraw/zinc/33/63/49/917336349.db2.gz LZLHFQRNLAFDHA-QJPTWQEYSA-N 1 3 284.404 -0.362 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925579 917338854 /nfs/dbraw/zinc/33/88/54/917338854.db2.gz SCMVNULVASVLQW-LBPRGKRZSA-N 1 3 282.388 -0.748 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001482946045 917347130 /nfs/dbraw/zinc/34/71/30/917347130.db2.gz DDONYZJGMFKUFZ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001483009127 917372632 /nfs/dbraw/zinc/37/26/32/917372632.db2.gz RGUSMPYCAPEIMX-PWUVMTTMSA-N 1 3 282.388 -0.538 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001483009127 917372643 /nfs/dbraw/zinc/37/26/43/917372643.db2.gz RGUSMPYCAPEIMX-PWUVMTTMSA-N 1 3 282.388 -0.538 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172537 917448583 /nfs/dbraw/zinc/44/85/83/917448583.db2.gz RFWREIURJZCFOP-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483185003 917458685 /nfs/dbraw/zinc/45/86/85/917458685.db2.gz ZZYBDNNGFBNFHK-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483185003 917458693 /nfs/dbraw/zinc/45/86/93/917458693.db2.gz ZZYBDNNGFBNFHK-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[NH+](C)C ZINC001483262141 917500078 /nfs/dbraw/zinc/50/00/78/917500078.db2.gz UIGOEKWDJZYBAI-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483296542 917508567 /nfs/dbraw/zinc/50/85/67/917508567.db2.gz JZESWQRLFZXWAK-WDEREUQCSA-N 1 3 298.387 -0.774 20 0 CBADHO C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483484172 917576910 /nfs/dbraw/zinc/57/69/10/917576910.db2.gz KJAXTKZSUGDTGJ-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](NC1(CNC(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001483764631 917671603 /nfs/dbraw/zinc/67/16/03/917671603.db2.gz MWEISLDCSVIJNB-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001483951866 917711007 /nfs/dbraw/zinc/71/10/07/917711007.db2.gz MNZFEJQVSFNLTF-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001483958143 917717774 /nfs/dbraw/zinc/71/77/74/917717774.db2.gz GFJLTMJLJGHBMR-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO COCCN1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246400 917788637 /nfs/dbraw/zinc/78/86/37/917788637.db2.gz JVEWMNVUCRFVCE-OAHLLOKOSA-N 1 3 297.399 -0.718 20 0 CBADHO CC[C@H](C(=O)NCC1([NH2+]CCO)CCC1)N(C)C ZINC001484660549 917906470 /nfs/dbraw/zinc/90/64/70/917906470.db2.gz JIPJERZCFIGHSE-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001484697475 917926952 /nfs/dbraw/zinc/92/69/52/917926952.db2.gz VUAFPURATHFACW-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001484697480 917927075 /nfs/dbraw/zinc/92/70/75/917927075.db2.gz VUAFPURATHFACW-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001485189662 918022757 /nfs/dbraw/zinc/02/27/57/918022757.db2.gz YEGAZISCWBQOIS-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485229848 918033295 /nfs/dbraw/zinc/03/32/95/918033295.db2.gz MWKGJBRIZZLVLC-VHSXEESVSA-N 1 3 258.366 -0.705 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCO ZINC001485312086 918071976 /nfs/dbraw/zinc/07/19/76/918071976.db2.gz GUYDRXAEUOILEE-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCO ZINC001485312086 918071985 /nfs/dbraw/zinc/07/19/85/918071985.db2.gz GUYDRXAEUOILEE-LLVKDONJSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001485703178 918170090 /nfs/dbraw/zinc/17/00/90/918170090.db2.gz RTTCFCCQSMSESF-IJLUTSLNSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001485823223 918193509 /nfs/dbraw/zinc/19/35/09/918193509.db2.gz QITLTRVAWFFIJK-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001485854816 918207398 /nfs/dbraw/zinc/20/73/98/918207398.db2.gz HKTFSHUEFPNVIS-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC1CC1 ZINC001485855550 918210503 /nfs/dbraw/zinc/21/05/03/918210503.db2.gz LVOBEORUKSHDPZ-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916737 918232277 /nfs/dbraw/zinc/23/22/77/918232277.db2.gz WXZWGNWGIGUQPU-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001485954937 918239493 /nfs/dbraw/zinc/23/94/93/918239493.db2.gz BIHIHTOILRBCPT-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001485954937 918239508 /nfs/dbraw/zinc/23/95/08/918239508.db2.gz BIHIHTOILRBCPT-RYUDHWBXSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001485956113 918239538 /nfs/dbraw/zinc/23/95/38/918239538.db2.gz UAZBTLHFXLGKQV-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001485956109 918240735 /nfs/dbraw/zinc/24/07/35/918240735.db2.gz UAZBTLHFXLGKQV-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@H]1C ZINC001486092770 918364258 /nfs/dbraw/zinc/36/42/58/918364258.db2.gz HHWGKLDHFHDIJR-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@H]1C ZINC001486092770 918364275 /nfs/dbraw/zinc/36/42/75/918364275.db2.gz HHWGKLDHFHDIJR-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CC[NH+](C)C ZINC001486120633 918373871 /nfs/dbraw/zinc/37/38/71/918373871.db2.gz DHUYZDYHLQZLSN-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)Cc1c[nH]cn1 ZINC001486301494 918417641 /nfs/dbraw/zinc/41/76/41/918417641.db2.gz PATLNWPORKDBGB-LBPRGKRZSA-N 1 3 266.345 -0.229 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001488772705 918765997 /nfs/dbraw/zinc/76/59/97/918765997.db2.gz MAWPCUJPWCTPFA-RWMBFGLXSA-N 1 3 269.389 -0.195 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001488968672 918782025 /nfs/dbraw/zinc/78/20/25/918782025.db2.gz ZKICTDIBFSWZAG-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](O)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490448043 918908199 /nfs/dbraw/zinc/90/81/99/918908199.db2.gz QDYCCKNUDPXTJT-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO NC(=O)CN[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001490663995 918957582 /nfs/dbraw/zinc/95/75/82/918957582.db2.gz BVXYPHIUFHUOQO-CHWSQXEVSA-N 1 3 294.399 -0.702 20 0 CBADHO NC(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490728535 918965071 /nfs/dbraw/zinc/96/50/71/918965071.db2.gz OGNZDCZMHOBOHX-NSHDSACASA-N 1 3 280.372 -0.948 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001490829596 918974502 /nfs/dbraw/zinc/97/45/02/918974502.db2.gz WRCSFPHQAGPACT-RWMBFGLXSA-N 1 3 298.431 -0.006 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490841481 918977086 /nfs/dbraw/zinc/97/70/86/918977086.db2.gz NOONMRGJOBOFRY-RWMBFGLXSA-N 1 3 298.431 -0.102 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001490829594 918977232 /nfs/dbraw/zinc/97/72/32/918977232.db2.gz WRCSFPHQAGPACT-FRRDWIJNSA-N 1 3 298.431 -0.006 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)N(C)C ZINC001490902410 918987181 /nfs/dbraw/zinc/98/71/81/918987181.db2.gz NOOKHXMVPGQULS-SRVKXCTJSA-N 1 3 257.378 -0.198 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491190255 919073057 /nfs/dbraw/zinc/07/30/57/919073057.db2.gz JNQXRZPIPYUJPC-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001491318651 919111512 /nfs/dbraw/zinc/11/15/12/919111512.db2.gz VHKCZDMSSJFYBV-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001491318651 919111536 /nfs/dbraw/zinc/11/15/36/919111536.db2.gz VHKCZDMSSJFYBV-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCO ZINC001491580964 919215554 /nfs/dbraw/zinc/21/55/54/919215554.db2.gz YBDUGJXLOVHMRL-VXGBXAGGSA-N 1 3 257.378 -0.195 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491630075 919239948 /nfs/dbraw/zinc/23/99/48/919239948.db2.gz DSEMYEMTURVJFL-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491630075 919239965 /nfs/dbraw/zinc/23/99/65/919239965.db2.gz DSEMYEMTURVJFL-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876725 919296670 /nfs/dbraw/zinc/29/66/70/919296670.db2.gz IDAZERCKLGXPTF-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001493256078 919512836 /nfs/dbraw/zinc/51/28/36/919512836.db2.gz FZOOMBCKTKVHBX-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001493256078 919512850 /nfs/dbraw/zinc/51/28/50/919512850.db2.gz FZOOMBCKTKVHBX-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001493550834 919578947 /nfs/dbraw/zinc/57/89/47/919578947.db2.gz JWRSVQWRBDVBMP-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001493550834 919578959 /nfs/dbraw/zinc/57/89/59/919578959.db2.gz JWRSVQWRBDVBMP-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001493654287 919598034 /nfs/dbraw/zinc/59/80/34/919598034.db2.gz VHZDAADXNOCIDT-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CN(CC[NH2+]CCn1cncn1)C(=O)Cc1c[nH]cn1 ZINC001493708138 919607431 /nfs/dbraw/zinc/60/74/31/919607431.db2.gz DCJVRNMJHFSEIY-UHFFFAOYSA-N 1 3 277.332 -0.708 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001493762783 919617545 /nfs/dbraw/zinc/61/75/45/919617545.db2.gz GUIWULLQGDSXKU-UHFFFAOYSA-N 1 3 282.388 -0.782 20 0 CBADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793718 919621906 /nfs/dbraw/zinc/62/19/06/919621906.db2.gz KSQDZVHCWRUPFB-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793718 919621925 /nfs/dbraw/zinc/62/19/25/919621925.db2.gz KSQDZVHCWRUPFB-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170574 919666025 /nfs/dbraw/zinc/66/60/25/919666025.db2.gz DHELAZUIGQZYGK-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001494170574 919666032 /nfs/dbraw/zinc/66/60/32/919666032.db2.gz DHELAZUIGQZYGK-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001495095927 919862160 /nfs/dbraw/zinc/86/21/60/919862160.db2.gz ZMQRFFKBSQYADH-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001495095927 919862173 /nfs/dbraw/zinc/86/21/73/919862173.db2.gz ZMQRFFKBSQYADH-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301398 919883043 /nfs/dbraw/zinc/88/30/43/919883043.db2.gz UHCSOQFEANHTKC-HZMBPMFUSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001495301398 919883048 /nfs/dbraw/zinc/88/30/48/919883048.db2.gz UHCSOQFEANHTKC-HZMBPMFUSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001495577666 919906421 /nfs/dbraw/zinc/90/64/21/919906421.db2.gz JLTKOYGKSOOYRQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001495577666 919906434 /nfs/dbraw/zinc/90/64/34/919906434.db2.gz JLTKOYGKSOOYRQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082243 920022108 /nfs/dbraw/zinc/02/21/08/920022108.db2.gz SHIVXQQZBMPSEN-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150309 920036265 /nfs/dbraw/zinc/03/62/65/920036265.db2.gz PPNJFLZMSNLSAK-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001496208047 920042794 /nfs/dbraw/zinc/04/27/94/920042794.db2.gz BISSIHYEAJJOFG-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001496210082 920043159 /nfs/dbraw/zinc/04/31/59/920043159.db2.gz OROURGADKRJIKO-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497895654 920417632 /nfs/dbraw/zinc/41/76/32/920417632.db2.gz YVHFVVOHDXUAAQ-SNVBAGLBSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001497955055 920429940 /nfs/dbraw/zinc/42/99/40/920429940.db2.gz QNRYOVHTRZMCBO-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001497955055 920429953 /nfs/dbraw/zinc/42/99/53/920429953.db2.gz QNRYOVHTRZMCBO-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983296 920434403 /nfs/dbraw/zinc/43/44/03/920434403.db2.gz ACVPTKXUSDSCAU-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983296 920434412 /nfs/dbraw/zinc/43/44/12/920434412.db2.gz ACVPTKXUSDSCAU-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001497994251 920435317 /nfs/dbraw/zinc/43/53/17/920435317.db2.gz YUJZOLREJRQPKJ-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001498197540 920513983 /nfs/dbraw/zinc/51/39/83/920513983.db2.gz PAIKYRZBJZYISA-NWDGAFQWSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001498611787 920617032 /nfs/dbraw/zinc/61/70/32/920617032.db2.gz BGCAXZWPIGDOAE-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CCC1 ZINC001500686571 920857498 /nfs/dbraw/zinc/85/74/98/920857498.db2.gz GPDDPCPLIUHMRC-ZDUSSCGKSA-N 1 3 285.388 -0.984 20 0 CBADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CCC1 ZINC001500686571 920857508 /nfs/dbraw/zinc/85/75/08/920857508.db2.gz GPDDPCPLIUHMRC-ZDUSSCGKSA-N 1 3 285.388 -0.984 20 0 CBADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CCC1 ZINC001500686570 920858865 /nfs/dbraw/zinc/85/88/65/920858865.db2.gz GPDDPCPLIUHMRC-CYBMUJFWSA-N 1 3 285.388 -0.984 20 0 CBADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CCC1 ZINC001500686570 920858882 /nfs/dbraw/zinc/85/88/82/920858882.db2.gz GPDDPCPLIUHMRC-CYBMUJFWSA-N 1 3 285.388 -0.984 20 0 CBADHO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(CCCO)C1 ZINC001501345787 920980885 /nfs/dbraw/zinc/98/08/85/920980885.db2.gz PDKVZJCNZMEQRL-CQSZACIVSA-N 1 3 287.404 -0.736 20 0 CBADHO C[C@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442945 921824642 /nfs/dbraw/zinc/82/46/42/921824642.db2.gz KXAIXGHEKMSDJA-QWRGUYRKSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)CN(C)C1CCC1 ZINC001507640877 921889115 /nfs/dbraw/zinc/88/91/15/921889115.db2.gz VVJBGHXTNQRGSV-CYBMUJFWSA-N 1 3 287.404 -0.786 20 0 CBADHO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN(C)C1CCC1 ZINC001507640877 921889121 /nfs/dbraw/zinc/88/91/21/921889121.db2.gz VVJBGHXTNQRGSV-CYBMUJFWSA-N 1 3 287.404 -0.786 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001515319694 922231580 /nfs/dbraw/zinc/23/15/80/922231580.db2.gz XLVFXGKPVHQWRV-CYDGBPFRSA-N 1 3 267.373 -0.219 20 0 CBADHO COCC[C@@H](N)C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001521739540 922376545 /nfs/dbraw/zinc/37/65/45/922376545.db2.gz BSSVSODKEQCCJK-VHSXEESVSA-N 1 3 261.391 -0.439 20 0 CBADHO CCCN1CCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522084490 922398195 /nfs/dbraw/zinc/39/81/95/922398195.db2.gz QEHBNCUPAFHOLX-WOPDTQHZSA-N 1 3 255.362 -0.300 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@H]1CNCCO1)C2 ZINC001523551748 922598264 /nfs/dbraw/zinc/59/82/64/922598264.db2.gz UZRXLRYGOZXPMB-BJDJZHNGSA-N 1 3 253.346 -0.297 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001523570901 922600196 /nfs/dbraw/zinc/60/01/96/922600196.db2.gz CYNTZDHLMBPPTA-MFKMUULPSA-N 1 3 269.345 -0.379 20 0 CBADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001528184922 922813100 /nfs/dbraw/zinc/81/31/00/922813100.db2.gz SGIFUIACSUIBQM-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528184922 922813112 /nfs/dbraw/zinc/81/31/12/922813112.db2.gz SGIFUIACSUIBQM-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001528184921 922813488 /nfs/dbraw/zinc/81/34/88/922813488.db2.gz SGIFUIACSUIBQM-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528184921 922813499 /nfs/dbraw/zinc/81/34/99/922813499.db2.gz SGIFUIACSUIBQM-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001548552957 923374266 /nfs/dbraw/zinc/37/42/66/923374266.db2.gz MUORIWJCKATMGD-ZIAGYGMSSA-N 1 3 280.416 -0.166 20 0 CBADHO CN1CCNC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001548556214 923378659 /nfs/dbraw/zinc/37/86/59/923378659.db2.gz FMAKAACBQSTZGF-WPRPVWTQSA-N 1 3 295.412 -0.199 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548566022 923389487 /nfs/dbraw/zinc/38/94/87/923389487.db2.gz RZQWZXHEHDMPEM-GHMZBOCLSA-N 1 3 272.418 -0.899 20 0 CBADHO COC[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCCN1 ZINC001548569536 923390786 /nfs/dbraw/zinc/39/07/86/923390786.db2.gz PHQPOVQHNLBXMX-BXUZGUMPSA-N 1 3 283.372 -0.608 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001548570190 923393497 /nfs/dbraw/zinc/39/34/97/923393497.db2.gz TYMWCPJOJHJOMF-QWHCGFSZSA-N 1 3 275.352 -0.197 20 0 CBADHO N[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC[C@H]1F ZINC001548572273 923394166 /nfs/dbraw/zinc/39/41/66/923394166.db2.gz OHIBZVUXTHUASA-GIPNMCIBSA-N 1 3 284.335 -0.217 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC001548575566 923398933 /nfs/dbraw/zinc/39/89/33/923398933.db2.gz FGSRVURNWHQEJL-CYBMUJFWSA-N 1 3 277.368 -0.479 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC2(CNC2)O1 ZINC001548575826 923400003 /nfs/dbraw/zinc/40/00/03/923400003.db2.gz JKMZXEIOZYBREV-GHMZBOCLSA-N 1 3 283.372 -0.670 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC001548575307 923400502 /nfs/dbraw/zinc/40/05/02/923400502.db2.gz AWLWLCJZHONIFS-TZMCWYRMSA-N 1 3 277.368 -0.088 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548580463 923402688 /nfs/dbraw/zinc/40/26/88/923402688.db2.gz YCVYOPSEOAOQMW-WDEREUQCSA-N 1 3 267.373 -0.036 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548580129 923403193 /nfs/dbraw/zinc/40/31/93/923403193.db2.gz WARXXWMDBCKSDS-SNVBAGLBSA-N 1 3 271.361 -0.670 20 0 CBADHO CC1(C)CN(C(=O)[C@@H](N)CC(F)F)CC2(C[NH2+]C2)O1 ZINC001548580041 923403447 /nfs/dbraw/zinc/40/34/47/923403447.db2.gz VQHIUTJJNVLELH-QMMMGPOBSA-N 1 3 277.315 -0.052 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583904 923407791 /nfs/dbraw/zinc/40/77/91/923407791.db2.gz FOGPWKRDCDHRIT-NEPJUHHUSA-N 1 3 296.415 -0.408 20 0 CBADHO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCNCC1 ZINC001549043476 923525292 /nfs/dbraw/zinc/52/52/92/923525292.db2.gz KBOOSDPFQJJBFL-ZIAGYGMSSA-N 1 3 280.416 -0.118 20 0 CBADHO CC(C)(C)[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044525 923532110 /nfs/dbraw/zinc/53/21/10/923532110.db2.gz UFUORWCVYJJPIS-RYUDHWBXSA-N 1 3 268.405 -0.134 20 0 CBADHO CC(C)(C[NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549047136 923543174 /nfs/dbraw/zinc/54/31/74/923543174.db2.gz KYQNWKWKSJOBIY-LLVKDONJSA-N 1 3 280.376 -0.115 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001549047551 923544576 /nfs/dbraw/zinc/54/45/76/923544576.db2.gz RKILAACMQGXPCE-GFCCVEGCSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)C3([NH3+])CCC3)C2)nn1 ZINC001549047326 923544893 /nfs/dbraw/zinc/54/48/93/923544893.db2.gz PMGUCBBCVXLREX-LLVKDONJSA-N 1 3 278.360 -0.218 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549047626 923545585 /nfs/dbraw/zinc/54/55/85/923545585.db2.gz UYMGAERWNFSZEM-ZYHUDNBSSA-N 1 3 278.360 -0.490 20 0 CBADHO [NH3+]C[C@]12CCC[C@@H]1CN(CC(=O)N1CCNCC1)C2 ZINC001549113688 923557720 /nfs/dbraw/zinc/55/77/20/923557720.db2.gz OUDNMIRXIWNZIL-OCCSQVGLSA-N 1 3 266.389 -0.521 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549212435 923570758 /nfs/dbraw/zinc/57/07/58/923570758.db2.gz FUWSAQSJARAZLG-ATJQQHLPSA-N 1 3 280.372 -0.801 20 0 CBADHO O=C(C[C@@H]1CCNC[C@H]1F)NC[C@@H]1C[NH2+]CCCO1 ZINC001549291628 923580919 /nfs/dbraw/zinc/58/09/19/923580919.db2.gz HBKRHCVBUYKINV-SDDRHHMPSA-N 1 3 273.352 -0.181 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)CC3([NH3+])CC3)C2)nn1 ZINC001549293338 923582443 /nfs/dbraw/zinc/58/24/43/923582443.db2.gz MNNUZYLCWOYNON-NSHDSACASA-N 1 3 278.360 -0.218 20 0 CBADHO CC[C@H](N)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728986 923632869 /nfs/dbraw/zinc/63/28/69/923632869.db2.gz WNAHJTSWDWUXDA-GMXVVIOVSA-N 1 3 282.388 -0.513 20 0 CBADHO CC[C@H](N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728993 923633447 /nfs/dbraw/zinc/63/34/47/923633447.db2.gz WNAHJTSWDWUXDA-LOWVWBTDSA-N 1 3 282.388 -0.513 20 0 CBADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001550077250 923669929 /nfs/dbraw/zinc/66/99/29/923669929.db2.gz XKYQKSRKFJGKEK-RYUDHWBXSA-N 1 3 277.324 -0.170 20 0 CBADHO C[C@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550094880 923680152 /nfs/dbraw/zinc/68/01/52/923680152.db2.gz ZAZKOKPRWULFLM-WCQYABFASA-N 1 3 278.360 -0.348 20 0 CBADHO C[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550096574 923680460 /nfs/dbraw/zinc/68/04/60/923680460.db2.gz LISYPGKNFMCJFW-WXHSDQCUSA-N 1 3 292.387 -0.150 20 0 CBADHO C[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550096574 923680472 /nfs/dbraw/zinc/68/04/72/923680472.db2.gz LISYPGKNFMCJFW-WXHSDQCUSA-N 1 3 292.387 -0.150 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097234 923681135 /nfs/dbraw/zinc/68/11/35/923681135.db2.gz FAOBSNYMPRVNJN-ZYHUDNBSSA-N 1 3 278.360 -0.348 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550097062 923681293 /nfs/dbraw/zinc/68/12/93/923681293.db2.gz XSKDHXQSVZGLOY-QWRGUYRKSA-N 1 3 266.349 -0.492 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097508 923681316 /nfs/dbraw/zinc/68/13/16/923681316.db2.gz SFNBITCMRAUYMD-VXGBXAGGSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097491 923681933 /nfs/dbraw/zinc/68/19/33/923681933.db2.gz OURBWANQRJYTBH-PWSUYJOCSA-N 1 3 278.360 -0.490 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550097063 923682036 /nfs/dbraw/zinc/68/20/36/923682036.db2.gz XSKDHXQSVZGLOY-WDEREUQCSA-N 1 3 266.349 -0.492 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC001550204866 923709100 /nfs/dbraw/zinc/70/91/00/923709100.db2.gz UATYXVKIPQIBLF-NWDGAFQWSA-N 1 3 294.399 -0.334 20 0 CBADHO Cn1cnc([C@@H]2CN(C(=O)[C@H](N)CC3CC3)C[C@@H]2[NH3+])c1 ZINC001550196630 923710867 /nfs/dbraw/zinc/71/08/67/923710867.db2.gz YDFDGVREBFGLQL-UTUOFQBUSA-N 1 3 277.372 -0.199 20 0 CBADHO CC[C@@H]1NCCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC001550474935 923728784 /nfs/dbraw/zinc/72/87/84/923728784.db2.gz WFEUCWJDPDPDDR-GZBFAFLISA-N 1 3 297.399 -0.266 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCNC[C@@H](O)C1 ZINC001550742842 923743643 /nfs/dbraw/zinc/74/36/43/923743643.db2.gz FGODZKXRDGTFDU-GHMZBOCLSA-N 1 3 268.361 -0.753 20 0 CBADHO CCCNC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913916 923754982 /nfs/dbraw/zinc/75/49/82/923754982.db2.gz RDNFGORYAJADSH-WFASDCNBSA-N 1 3 296.415 -0.251 20 0 CBADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCNC[C@@H](O)C1)CC2 ZINC001551567661 923804868 /nfs/dbraw/zinc/80/48/68/923804868.db2.gz RWJXHTAWNPQTTH-CBKZZEEASA-N 1 3 282.388 -0.378 20 0 CBADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCNC[C@H](O)C1)CC2 ZINC001551567664 923805573 /nfs/dbraw/zinc/80/55/73/923805573.db2.gz RWJXHTAWNPQTTH-MRFPXMQZSA-N 1 3 282.388 -0.378 20 0 CBADHO N[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC[C@H]1F ZINC001551572849 923806188 /nfs/dbraw/zinc/80/61/88/923806188.db2.gz DFYPQXUTYVXCDN-SQGHXRTGSA-N 1 3 256.325 -0.053 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199770 923855222 /nfs/dbraw/zinc/85/52/22/923855222.db2.gz DASQMPGYHLQMAI-ZSEWYUTFSA-N 1 3 279.384 -0.179 20 0 CBADHO O=C(NCCN1CCCCC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199474 923857053 /nfs/dbraw/zinc/85/70/53/923857053.db2.gz GEGTVIDYJZQSNP-OCCSQVGLSA-N 1 3 267.373 -0.176 20 0 CBADHO COC1CCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201123 923859210 /nfs/dbraw/zinc/85/92/10/923859210.db2.gz RQLLDVWHFHYYRB-DOMZBBRYSA-N 1 3 297.399 -0.551 20 0 CBADHO O=C(NCCN1CCCC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201113 923860259 /nfs/dbraw/zinc/86/02/59/923860259.db2.gz WQVQHKXYXPGQCG-WCQYABFASA-N 1 3 253.346 -0.566 20 0 CBADHO COCCN1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200969 923860469 /nfs/dbraw/zinc/86/04/69/923860469.db2.gz YGQIOHFZACCAAZ-DOMZBBRYSA-N 1 3 297.399 -0.551 20 0 CBADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202504 923863565 /nfs/dbraw/zinc/86/35/65/923863565.db2.gz HKZAHWPXMFEJLN-IAQYHMDHSA-N 1 3 288.351 -0.098 20 0 CBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC001552215181 923868292 /nfs/dbraw/zinc/86/82/92/923868292.db2.gz DWRCJXUGEYIVQW-JSGCOSHPSA-N 1 3 297.399 -0.408 20 0 CBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC001552215180 923868796 /nfs/dbraw/zinc/86/87/96/923868796.db2.gz DWRCJXUGEYIVQW-GXTWGEPZSA-N 1 3 297.399 -0.408 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001553013967 923935819 /nfs/dbraw/zinc/93/58/19/923935819.db2.gz FSTIRUVTSPJUHM-VXGBXAGGSA-N 1 3 267.373 -0.083 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553414633 923991458 /nfs/dbraw/zinc/99/14/58/923991458.db2.gz RHEYGSXVOIJATK-POQQGIQPSA-N 1 3 295.383 -0.515 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCN1C ZINC001553429286 923996360 /nfs/dbraw/zinc/99/63/60/923996360.db2.gz JYVXALIUESVIDK-JCIQBVFBSA-N 1 3 253.346 -0.285 20 0 CBADHO O=C(NC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553489345 924007080 /nfs/dbraw/zinc/00/70/80/924007080.db2.gz DMNPNBBEZRKCLR-UONOGXRCSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553492830 924010734 /nfs/dbraw/zinc/01/07/34/924010734.db2.gz APLMOFXIZGWLCZ-MGPQQGTHSA-N 1 3 296.415 -0.164 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553494300 924011025 /nfs/dbraw/zinc/01/10/25/924011025.db2.gz DXEOZTGXVKTVJD-UPJWGTAASA-N 1 3 284.404 -0.178 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553499090 924012272 /nfs/dbraw/zinc/01/22/72/924012272.db2.gz YENKTIIHVSXNNC-MGPQQGTHSA-N 1 3 296.415 -0.021 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553500774 924012928 /nfs/dbraw/zinc/01/29/28/924012928.db2.gz GZSACTSGUOPQSM-WUHRBBMRSA-N 1 3 284.404 -0.037 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553499089 924014036 /nfs/dbraw/zinc/01/40/36/924014036.db2.gz YENKTIIHVSXNNC-MCIONIFRSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CCC[NH2+]1 ZINC000337834255 214280228 /nfs/dbraw/zinc/28/02/28/214280228.db2.gz CHSGLRJWFUFIBZ-GFCCVEGCSA-N 1 3 255.362 -0.299 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000126235083 187225661 /nfs/dbraw/zinc/22/56/61/187225661.db2.gz ZARLUDHUGHFMCG-AWEZNQCLSA-N 1 3 298.431 -0.066 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126288370 187230838 /nfs/dbraw/zinc/23/08/38/187230838.db2.gz HPNHYIRIURKXCX-AAEUAGOBSA-N 1 3 286.420 -0.068 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000126321836 187232658 /nfs/dbraw/zinc/23/26/58/187232658.db2.gz IAPIHFRWMUVHIV-JSGCOSHPSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126655028 187254164 /nfs/dbraw/zinc/25/41/64/187254164.db2.gz HCGUZIYJEKHKGL-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CSCN3)C2)CC1 ZINC000377199298 530049858 /nfs/dbraw/zinc/04/98/58/530049858.db2.gz UGPVRJKFRCTOGM-DGCLKSJQSA-N 1 3 298.456 -0.066 20 0 CBADHO C[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367148952 530050410 /nfs/dbraw/zinc/05/04/10/530050410.db2.gz OUKQXCSPNCODNJ-ZDUSSCGKSA-N 1 3 266.389 -0.413 20 0 CBADHO CN(CC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370600 282379231 /nfs/dbraw/zinc/37/92/31/282379231.db2.gz RNZJEUDOBLSRRV-GFCCVEGCSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419892184 282445099 /nfs/dbraw/zinc/44/50/99/282445099.db2.gz JBNJCHZEVKUFKF-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000339573843 215250891 /nfs/dbraw/zinc/25/08/91/215250891.db2.gz GBASAEKTMPPZEU-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000339577902 215253513 /nfs/dbraw/zinc/25/35/13/215253513.db2.gz JCQBLAOSCKMWGB-UHFFFAOYSA-N 1 3 272.393 -0.536 20 0 CBADHO C[NH+]1CCC(CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000091311226 180132598 /nfs/dbraw/zinc/13/25/98/180132598.db2.gz YWIFSUDNMMVYQL-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091549059 180188136 /nfs/dbraw/zinc/18/81/36/180188136.db2.gz VUWQCCQOASCCPT-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(C[NH2+]CC1CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000091668197 180223907 /nfs/dbraw/zinc/22/39/07/180223907.db2.gz MDRUUKSDCNKWIS-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO COCCNCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106080245 186101143 /nfs/dbraw/zinc/10/11/43/186101143.db2.gz ZVOXSKGMUNYVJS-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[NH3+] ZINC000042737675 351436931 /nfs/dbraw/zinc/43/69/31/351436931.db2.gz ZBCNQIQIQDCBPS-UHFFFAOYSA-N 1 3 258.366 -0.893 20 0 CBADHO CN1CCN(CCCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000040808867 351419772 /nfs/dbraw/zinc/41/97/72/351419772.db2.gz ITYGMKHFYBAJRQ-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO [NH3+]CC[C@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC000070170986 351635438 /nfs/dbraw/zinc/63/54/38/351635438.db2.gz SXPNOGVGBVAMGH-SNVBAGLBSA-N 1 3 254.334 -0.401 20 0 CBADHO Cn1c(CN2CCC[C@H](CC[NH3+])C2)cc(=O)n(C)c1=O ZINC000070170906 351635570 /nfs/dbraw/zinc/63/55/70/351635570.db2.gz ZYLHBGZWVGGJPJ-LLVKDONJSA-N 1 3 280.372 -0.355 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000091311828 351743256 /nfs/dbraw/zinc/74/32/56/351743256.db2.gz HQQVVIXIJQRQFM-NWDGAFQWSA-N 1 3 255.362 -0.083 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000082258034 351711078 /nfs/dbraw/zinc/71/10/78/351711078.db2.gz HLNOHLHYGMOBLK-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)O1 ZINC000094568411 351764591 /nfs/dbraw/zinc/76/45/91/351764591.db2.gz IUGLCJPUDZWLLM-UTUOFQBUSA-N 1 3 253.346 -0.201 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C[NH2+]C2CC2)CC1 ZINC000154679560 351947201 /nfs/dbraw/zinc/94/72/01/351947201.db2.gz XRRJOFRQGVYNGW-GFCCVEGCSA-N 1 3 268.405 -0.119 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000137301637 351922018 /nfs/dbraw/zinc/92/20/18/351922018.db2.gz FLNQJLSQPNKNFB-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000151791663 351936392 /nfs/dbraw/zinc/93/63/92/351936392.db2.gz MPFPHZSFBGUINY-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]([NH3+])CCSC ZINC000131183671 351883807 /nfs/dbraw/zinc/88/38/07/351883807.db2.gz LEMYQRMSDNPJAV-SNVBAGLBSA-N 1 3 263.407 -0.239 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000178759138 352084037 /nfs/dbraw/zinc/08/40/37/352084037.db2.gz DNHAQCFRFNXXFG-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192109243 352196548 /nfs/dbraw/zinc/19/65/48/352196548.db2.gz PMMGSIIXIBVVDX-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000188183510 352148818 /nfs/dbraw/zinc/14/88/18/352148818.db2.gz MNBHTEWEWPTOSW-VIFPVBQESA-N 1 3 263.345 -0.215 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219038724 352236904 /nfs/dbraw/zinc/23/69/04/352236904.db2.gz KBZDCNQWUMGTRV-ZDUSSCGKSA-N 1 3 286.420 -0.066 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219038724 352236908 /nfs/dbraw/zinc/23/69/08/352236908.db2.gz KBZDCNQWUMGTRV-ZDUSSCGKSA-N 1 3 286.420 -0.066 20 0 CBADHO C[C@@H](C(=O)N(C)C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174261 352240314 /nfs/dbraw/zinc/24/03/14/352240314.db2.gz FFUNUVBLCCJMAZ-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000193569220 352206587 /nfs/dbraw/zinc/20/65/87/352206587.db2.gz IZXYSXKZWRPPOM-XQQFMLRXSA-N 1 3 296.415 -0.347 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236788221 352294242 /nfs/dbraw/zinc/29/42/42/352294242.db2.gz UYIQGGBHNPIZHK-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO CCN(CC)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000236837626 352294748 /nfs/dbraw/zinc/29/47/48/352294748.db2.gz KSFZBYUVRIYRHG-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)CN1 ZINC000237425634 352305131 /nfs/dbraw/zinc/30/51/31/352305131.db2.gz YFCDKAYNMWAHKE-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@](C[NH3+])(NC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000237625843 352308603 /nfs/dbraw/zinc/30/86/03/352308603.db2.gz CQQADWJEPQVYRM-YPMHNXCESA-N 1 3 255.362 -0.001 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261908447 352399574 /nfs/dbraw/zinc/39/95/74/352399574.db2.gz WCYVKUJOCPAMOD-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252433653 352377059 /nfs/dbraw/zinc/37/70/59/352377059.db2.gz QDGCCLRCNYENGY-QWHCGFSZSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252433653 352377063 /nfs/dbraw/zinc/37/70/63/352377063.db2.gz QDGCCLRCNYENGY-QWHCGFSZSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000252552056 352378352 /nfs/dbraw/zinc/37/83/52/352378352.db2.gz PZKHANZTGZKQJC-SRVKXCTJSA-N 1 3 253.346 -0.282 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252580374 352378577 /nfs/dbraw/zinc/37/85/77/352378577.db2.gz QBFASUNBUKHKGP-IJLUTSLNSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@H]([NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000261921492 352400574 /nfs/dbraw/zinc/40/05/74/352400574.db2.gz XRLWWBDZOVFIAD-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2CCCN2C)CC[NH2+]C1 ZINC000261578426 352388609 /nfs/dbraw/zinc/38/86/09/352388609.db2.gz OYQGWQSQMGHTOE-YPMHNXCESA-N 1 3 255.362 -0.177 20 0 CBADHO COC[C@@]1(C(=O)NC[C@@H]2CCCN2C)CC[NH2+]C1 ZINC000261578425 352389051 /nfs/dbraw/zinc/38/90/51/352389051.db2.gz OYQGWQSQMGHTOE-WCQYABFASA-N 1 3 255.362 -0.177 20 0 CBADHO COC[C@@]1(C(=O)NC[C@H]2CCCN2C)CC[NH2+]C1 ZINC000261578424 352389207 /nfs/dbraw/zinc/38/92/07/352389207.db2.gz OYQGWQSQMGHTOE-DGCLKSJQSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262513945 352424638 /nfs/dbraw/zinc/42/46/38/352424638.db2.gz MPFABAJCRQHCAK-LPWJVIDDSA-N 1 3 269.389 -0.054 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262523148 352425735 /nfs/dbraw/zinc/42/57/35/352425735.db2.gz YJORDPPBDUXNFN-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000262721001 352431550 /nfs/dbraw/zinc/43/15/50/352431550.db2.gz FQVGFYXRBQRQKB-AGIUHOORSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262764217 352433542 /nfs/dbraw/zinc/43/35/42/352433542.db2.gz IXHQXKSETNZYDY-XQQFMLRXSA-N 1 3 296.415 -0.395 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)n1 ZINC000262004845 352403473 /nfs/dbraw/zinc/40/34/73/352403473.db2.gz NTPNNIWMTTUPBJ-MNOVXSKESA-N 1 3 281.360 -0.111 20 0 CBADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C1=CC[N@H+](C)CC1 ZINC000289555200 352664457 /nfs/dbraw/zinc/66/44/57/352664457.db2.gz IRRRASCJDQYWCB-LBPRGKRZSA-N 1 3 296.415 -0.227 20 0 CBADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C1=CC[N@@H+](C)CC1 ZINC000289555200 352664459 /nfs/dbraw/zinc/66/44/59/352664459.db2.gz IRRRASCJDQYWCB-LBPRGKRZSA-N 1 3 296.415 -0.227 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312734049 352776300 /nfs/dbraw/zinc/77/63/00/352776300.db2.gz TUJWTDRZRYZOOB-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312734049 352776304 /nfs/dbraw/zinc/77/63/04/352776304.db2.gz TUJWTDRZRYZOOB-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312734056 352776321 /nfs/dbraw/zinc/77/63/21/352776321.db2.gz TUJWTDRZRYZOOB-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312734056 352776323 /nfs/dbraw/zinc/77/63/23/352776323.db2.gz TUJWTDRZRYZOOB-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000311104519 352765771 /nfs/dbraw/zinc/76/57/71/352765771.db2.gz 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C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@H]1[NH3+] ZINC000332263759 352941159 /nfs/dbraw/zinc/94/11/59/352941159.db2.gz UCSLYROOHNFELN-FVCCEPFGSA-N 1 3 294.399 -0.513 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332558543 352966015 /nfs/dbraw/zinc/96/60/15/352966015.db2.gz OTXXNJIJAZLICK-NEPJUHHUSA-N 1 3 280.372 -0.839 20 0 CBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332577637 352968391 /nfs/dbraw/zinc/96/83/91/352968391.db2.gz ADLJBUVWWGIKGP-CHWSQXEVSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000333136882 353000137 /nfs/dbraw/zinc/00/01/37/353000137.db2.gz CMBWOBWILPHKJS-AAXDQBDMSA-N 1 3 282.388 -0.414 20 0 CBADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H]1C ZINC000333490473 353001515 /nfs/dbraw/zinc/00/15/15/353001515.db2.gz DFEMGRQAMUUCNL-SRVKXCTJSA-N 1 3 270.377 -0.243 20 0 CBADHO CN(CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000333440249 353001636 /nfs/dbraw/zinc/00/16/36/353001636.db2.gz VYTFXDZHNNUHJG-AWEZNQCLSA-N 1 3 295.431 -0.230 20 0 CBADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333852114 353012014 /nfs/dbraw/zinc/01/20/14/353012014.db2.gz QEUVBYRMTUIUJR-LBELIVKGSA-N 1 3 282.388 -0.699 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000333857891 353012559 /nfs/dbraw/zinc/01/25/59/353012559.db2.gz RJEUOUNQGHNSBZ-CQSZACIVSA-N 1 3 297.447 -0.125 20 0 CBADHO CN(C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336823716 353059915 /nfs/dbraw/zinc/05/99/15/353059915.db2.gz QXXVECNOCQFJCV-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CN(C[C@@H](O)CN1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336823716 353059919 /nfs/dbraw/zinc/05/99/19/353059919.db2.gz QXXVECNOCQFJCV-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833625 353062264 /nfs/dbraw/zinc/06/22/64/353062264.db2.gz OWNOXFDPHWVDJD-GJZGRUSLSA-N 1 3 283.416 -0.293 20 0 CBADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000336833625 353062266 /nfs/dbraw/zinc/06/22/66/353062266.db2.gz OWNOXFDPHWVDJD-GJZGRUSLSA-N 1 3 283.416 -0.293 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1CCNC1=O ZINC000336848284 353064379 /nfs/dbraw/zinc/06/43/79/353064379.db2.gz ITJUQEZHZBSTLB-UHFFFAOYSA-N 1 3 297.447 -0.031 20 0 CBADHO CC(C(=O)NCC[NH2+]C(C)(C)C)S(C)(=O)=O ZINC000153873329 188108712 /nfs/dbraw/zinc/10/87/12/188108712.db2.gz HFPASNPYNLOJTG-MRVPVSSYSA-N 1 3 250.364 -0.076 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+](C)C ZINC000341259766 353207824 /nfs/dbraw/zinc/20/78/24/353207824.db2.gz LFLDEILNUCQNQC-QWHCGFSZSA-N 1 3 268.405 -0.310 20 0 CBADHO C[C@@]1(CNC(=O)CCOC2CNC2)CCC[NH2+]C1 ZINC000342752294 353231364 /nfs/dbraw/zinc/23/13/64/353231364.db2.gz HCOGZJLRMZNLBV-CYBMUJFWSA-N 1 3 255.362 -0.129 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343130512 353255183 /nfs/dbraw/zinc/25/51/83/353255183.db2.gz PLLPQOBWAPIXFO-KBPBESRZSA-N 1 3 282.432 -0.062 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343130512 353255185 /nfs/dbraw/zinc/25/51/85/353255185.db2.gz PLLPQOBWAPIXFO-KBPBESRZSA-N 1 3 282.432 -0.062 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+](C)C ZINC000343177113 353257797 /nfs/dbraw/zinc/25/77/97/353257797.db2.gz HOLQIIYYSJQKAA-RYUDHWBXSA-N 1 3 254.378 -0.557 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+](C)C ZINC000343177111 353257943 /nfs/dbraw/zinc/25/79/43/353257943.db2.gz HOLQIIYYSJQKAA-NEPJUHHUSA-N 1 3 254.378 -0.557 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343485583 353275098 /nfs/dbraw/zinc/27/50/98/353275098.db2.gz RXSLIGMSBSCBTC-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343216975 353260413 /nfs/dbraw/zinc/26/04/13/353260413.db2.gz KPMNBUIQJURYCY-ZIAGYGMSSA-N 1 3 280.416 -0.166 20 0 CBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343216975 353260418 /nfs/dbraw/zinc/26/04/18/353260418.db2.gz KPMNBUIQJURYCY-ZIAGYGMSSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000343286216 353263940 /nfs/dbraw/zinc/26/39/40/353263940.db2.gz XORIQPXPXZPCFF-RDBSUJKOSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000343286216 353263942 /nfs/dbraw/zinc/26/39/42/353263942.db2.gz XORIQPXPXZPCFF-RDBSUJKOSA-N 1 3 280.416 -0.025 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343309108 353267104 /nfs/dbraw/zinc/26/71/04/353267104.db2.gz VYXUCHPKDSZRLK-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343324076 353268157 /nfs/dbraw/zinc/26/81/57/353268157.db2.gz PMJCIDPVVBPRDR-OCCSQVGLSA-N 1 3 278.400 -0.271 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343324076 353268159 /nfs/dbraw/zinc/26/81/59/353268159.db2.gz PMJCIDPVVBPRDR-OCCSQVGLSA-N 1 3 278.400 -0.271 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000343592138 353280355 /nfs/dbraw/zinc/28/03/55/353280355.db2.gz KMSCHFWEHRBNEM-NGZCFLSTSA-N 1 3 256.350 -0.966 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588984 353280419 /nfs/dbraw/zinc/28/04/19/353280419.db2.gz SGFZSNABGRVCQP-KGLIPLIRSA-N 1 3 296.415 -0.787 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588984 353280421 /nfs/dbraw/zinc/28/04/21/353280421.db2.gz SGFZSNABGRVCQP-KGLIPLIRSA-N 1 3 296.415 -0.787 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343588973 353280438 /nfs/dbraw/zinc/28/04/38/353280438.db2.gz SGFZSNABGRVCQP-KBPBESRZSA-N 1 3 296.415 -0.787 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343588973 353280439 /nfs/dbraw/zinc/28/04/39/353280439.db2.gz SGFZSNABGRVCQP-KBPBESRZSA-N 1 3 296.415 -0.787 20 0 CBADHO C[NH+](C)CCNC(=O)C1CCN([C@H]2CCCNC2=O)CC1 ZINC000345184066 353314842 /nfs/dbraw/zinc/31/48/42/353314842.db2.gz GOLIFWHCVWNNOZ-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000346325501 353371009 /nfs/dbraw/zinc/37/10/09/353371009.db2.gz NXFKHWUXNBPOPL-HOCLYGCPSA-N 1 3 292.427 -0.070 20 0 CBADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000346325501 353371011 /nfs/dbraw/zinc/37/10/11/353371011.db2.gz NXFKHWUXNBPOPL-HOCLYGCPSA-N 1 3 292.427 -0.070 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@@H+]1C ZINC000347993783 353403996 /nfs/dbraw/zinc/40/39/96/353403996.db2.gz BTDPZLCLHXQGMZ-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C)CC[N@H+]1C ZINC000347993783 353403999 /nfs/dbraw/zinc/40/39/99/353403999.db2.gz BTDPZLCLHXQGMZ-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO C[NH+](C)C1CCN(C(=O)CCOC2CNC2)CC1 ZINC000348991899 353443064 /nfs/dbraw/zinc/44/30/64/353443064.db2.gz ODYXWZRHJWGUDY-UHFFFAOYSA-N 1 3 255.362 -0.083 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCOC1CNC1 ZINC000349030088 353445782 /nfs/dbraw/zinc/44/57/82/353445782.db2.gz RJDANARBVYOGBR-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCOC1CNC1 ZINC000349030088 353445785 /nfs/dbraw/zinc/44/57/85/353445785.db2.gz RJDANARBVYOGBR-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)[C@@]1(CNC(=O)CCOC2C[NH2+]C2)CCSC1 ZINC000349032658 353445862 /nfs/dbraw/zinc/44/58/62/353445862.db2.gz YCPJFUVIWWBOEA-CYBMUJFWSA-N 1 3 287.429 -0.082 20 0 CBADHO Cn1cc(CN2CCCC[C@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000352535827 353491074 /nfs/dbraw/zinc/49/10/74/353491074.db2.gz VYAVOTRIZIBONQ-LBPRGKRZSA-N 1 3 280.372 -0.213 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351498366 353475905 /nfs/dbraw/zinc/47/59/05/353475905.db2.gz VPDXEWUFPDXSGL-GARJFASQSA-N 1 3 261.391 -0.405 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CCCCC1 ZINC000354682482 353577726 /nfs/dbraw/zinc/57/77/26/353577726.db2.gz UVFMFMFQVFKDLN-ZDUSSCGKSA-N 1 3 296.415 -0.153 20 0 CBADHO CN(CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354691275 353578970 /nfs/dbraw/zinc/57/89/70/353578970.db2.gz MHLWRHBYISGJML-GFCCVEGCSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000354709737 353579192 /nfs/dbraw/zinc/57/91/92/353579192.db2.gz KDDFOZVJNLYRRZ-AGIUHOORSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354702464 353579632 /nfs/dbraw/zinc/57/96/32/353579632.db2.gz YHDPSKXKILSDFQ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]CCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000357237714 353601828 /nfs/dbraw/zinc/60/18/28/353601828.db2.gz FTBXZLFEMFWUMN-GFCCVEGCSA-N 1 3 256.394 -0.404 20 0 CBADHO C[C@@H](C(=O)NCCN(C)C)[C@@H](C)C(=O)NCC[NH+](C)C ZINC000358079793 353625686 /nfs/dbraw/zinc/62/56/86/353625686.db2.gz AJDXFTSVHMTDRV-VXGBXAGGSA-N 1 3 286.420 -0.386 20 0 CBADHO COCC[NH+]1CCC(N[C@H]2CC(=O)N(C)C2)CC1 ZINC000358092024 353626247 /nfs/dbraw/zinc/62/62/47/353626247.db2.gz XROBROFBJNWYDW-LBPRGKRZSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCN1CC[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358119593 353627791 /nfs/dbraw/zinc/62/77/91/353627791.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 1 3 257.378 -0.637 20 0 CBADHO COCCN1CC[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119593 353627792 /nfs/dbraw/zinc/62/77/92/353627792.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 1 3 257.378 -0.637 20 0 CBADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357904034 353613820 /nfs/dbraw/zinc/61/38/20/353613820.db2.gz BMCBGNKTJOWWOU-YPMHNXCESA-N 1 3 299.415 -0.285 20 0 CBADHO COCCNCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364196916 353671046 /nfs/dbraw/zinc/67/10/46/353671046.db2.gz QQZMXEVRCZAMOE-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO COCCNCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368711743 353687233 /nfs/dbraw/zinc/68/72/33/353687233.db2.gz HPILTJVOHMLXFR-LBPRGKRZSA-N 1 3 295.387 -0.227 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371226306 353697697 /nfs/dbraw/zinc/69/76/97/353697697.db2.gz QJUTWSUDWRUOBX-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371226306 353697699 /nfs/dbraw/zinc/69/76/99/353697699.db2.gz QJUTWSUDWRUOBX-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO CC[N@H+](C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371341350 353700693 /nfs/dbraw/zinc/70/06/93/353700693.db2.gz NMNUEWOBMYYAFB-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO CC[N@@H+](C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371341350 353700696 /nfs/dbraw/zinc/70/06/96/353700696.db2.gz NMNUEWOBMYYAFB-LBPRGKRZSA-N 1 3 254.378 -0.556 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000375383582 353759699 /nfs/dbraw/zinc/75/96/99/353759699.db2.gz CXYBGWLAYRWMRU-UNJBNNCHSA-N 1 3 291.399 -0.068 20 0 CBADHO C[NH2+]CCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000375834875 353768237 /nfs/dbraw/zinc/76/82/37/353768237.db2.gz PLJMFNQCVARPLP-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO NC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCC1 ZINC000375952557 353769750 /nfs/dbraw/zinc/76/97/50/353769750.db2.gz DIOSJKHQYVIVJX-GFCCVEGCSA-N 1 3 266.389 -0.236 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CNCCO1 ZINC000418433212 353998020 /nfs/dbraw/zinc/99/80/20/353998020.db2.gz CIKSDKCOISHTGA-SNVBAGLBSA-N 1 3 258.366 -0.209 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417446299 353977501 /nfs/dbraw/zinc/97/75/01/353977501.db2.gz KPJSEBWQWSZQMZ-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCN(C)CCOC ZINC000417437400 353977538 /nfs/dbraw/zinc/97/75/38/353977538.db2.gz HFSTUINYHKTXOK-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417437592 353977554 /nfs/dbraw/zinc/97/75/54/353977554.db2.gz HPMWGGKUYHXWJQ-URLYPYJESA-N 1 3 256.350 -0.918 20 0 CBADHO CCN(CCNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000417433089 353978032 /nfs/dbraw/zinc/97/80/32/353978032.db2.gz UYANQUOHPHINOX-GFCCVEGCSA-N 1 3 270.377 -0.160 20 0 CBADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417442286 353978058 /nfs/dbraw/zinc/97/80/58/353978058.db2.gz TWJTZDWXIHJABM-LLVKDONJSA-N 1 3 258.366 -0.303 20 0 CBADHO C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)N(C)C1CC1 ZINC000417551284 353979681 /nfs/dbraw/zinc/97/96/81/353979681.db2.gz NVOVZYKHPNAGKW-LBPRGKRZSA-N 1 3 283.420 -0.327 20 0 CBADHO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCN(C2CC2)C1 ZINC000417682810 353980960 /nfs/dbraw/zinc/98/09/60/353980960.db2.gz LSQQNWRFVGPLGN-ZDUSSCGKSA-N 1 3 295.431 -0.182 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC(C)(C)C1 ZINC000417823876 353982953 /nfs/dbraw/zinc/98/29/53/353982953.db2.gz ARXZLPGAFIAAHU-NSHDSACASA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776239 353983471 /nfs/dbraw/zinc/98/34/71/353983471.db2.gz AHDZHAHBWVFIRS-JHJVBQTASA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCCN1C ZINC000418008756 353986538 /nfs/dbraw/zinc/98/65/38/353986538.db2.gz SROOCKPWBCQLMI-JHJVBQTASA-N 1 3 283.420 -0.328 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCOCCN(C)C ZINC000418067614 353987267 /nfs/dbraw/zinc/98/72/67/353987267.db2.gz MZXIRRXXLHVTQV-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CN(C)CCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418068039 353987549 /nfs/dbraw/zinc/98/75/49/353987549.db2.gz NOMKRMNQGYNOAV-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCOCCN(C)C ZINC000418067260 353987620 /nfs/dbraw/zinc/98/76/20/353987620.db2.gz MLONFPVPYKQCMM-NWDGAFQWSA-N 1 3 272.393 -0.138 20 0 CBADHO C[NH2+]CCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418280277 353990285 /nfs/dbraw/zinc/99/02/85/353990285.db2.gz RGDRMLZDRUBUKW-LBPRGKRZSA-N 1 3 272.393 -0.258 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418365191 353994726 /nfs/dbraw/zinc/99/47/26/353994726.db2.gz DVHSLPBZLRCMCL-OLZOCXBDSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(CCCO)C1 ZINC000418355363 353995155 /nfs/dbraw/zinc/99/51/55/353995155.db2.gz BJHISNWYMNZQRC-QWHCGFSZSA-N 1 3 284.404 -0.116 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418382984 353995693 /nfs/dbraw/zinc/99/56/93/353995693.db2.gz INNWANVNVIJPLA-NSHDSACASA-N 1 3 260.382 -0.417 20 0 CBADHO C[C@@H]1C[C@@H](CN(C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651142 353963157 /nfs/dbraw/zinc/96/31/57/353963157.db2.gz FFELTSQBZFVGDT-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419229586 354039608 /nfs/dbraw/zinc/03/96/08/354039608.db2.gz OXBRERUBSLXBHW-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC1 ZINC000419233848 354040040 /nfs/dbraw/zinc/04/00/40/354040040.db2.gz HLKUSSFXBJBBBD-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCC1 ZINC000419240054 354041065 /nfs/dbraw/zinc/04/10/65/354041065.db2.gz OUXXGDOAVKKHDR-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419278106 354043605 /nfs/dbraw/zinc/04/36/05/354043605.db2.gz AQDCNHCQADFUQO-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCOC2(CNC2)C1 ZINC000418446584 353998231 /nfs/dbraw/zinc/99/82/31/353998231.db2.gz OCRLNJBKGONIKC-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418506572 353999782 /nfs/dbraw/zinc/99/97/82/353999782.db2.gz ITEWCVSADWLATR-WDEREUQCSA-N 1 3 258.366 -0.480 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)NCCN(CC)CCO ZINC000418588913 354003322 /nfs/dbraw/zinc/00/33/22/354003322.db2.gz HIEXNXHQSUSVMM-LLVKDONJSA-N 1 3 260.382 -0.402 20 0 CBADHO C[NH2+][C@@H](C)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418636488 354004405 /nfs/dbraw/zinc/00/44/05/354004405.db2.gz HLTRESZHOGCKRS-QWHCGFSZSA-N 1 3 286.420 -0.014 20 0 CBADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679414 354005811 /nfs/dbraw/zinc/00/58/11/354005811.db2.gz WUVIOSLTKXKLLU-WYUUTHIRSA-N 1 3 252.362 -0.060 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418709498 354006204 /nfs/dbraw/zinc/00/62/04/354006204.db2.gz VBOONAPVXDSFFE-GHMZBOCLSA-N 1 3 260.382 -0.058 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNc1ccncc1 ZINC000418704304 354006390 /nfs/dbraw/zinc/00/63/90/354006390.db2.gz RIFRPFHUSHXTCO-NXEZZACHSA-N 1 3 251.334 -0.050 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418812256 354009769 /nfs/dbraw/zinc/00/97/69/354009769.db2.gz WZNVUBICGBMFJR-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418830700 354010741 /nfs/dbraw/zinc/01/07/41/354010741.db2.gz JSYLCPYUDIWWOC-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418850377 354012727 /nfs/dbraw/zinc/01/27/27/354012727.db2.gz NUKVAJBFOXTVFG-CYBMUJFWSA-N 1 3 292.383 -0.650 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)NCCN)CCCCCC1 ZINC000418907016 354015084 /nfs/dbraw/zinc/01/50/84/354015084.db2.gz XIOZIKCHYKYYBJ-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032412 354024957 /nfs/dbraw/zinc/02/49/57/354024957.db2.gz WMQLSZWONGXIHN-YNEHKIRRSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419029778 354025549 /nfs/dbraw/zinc/02/55/49/354025549.db2.gz SCFZYEXOAMEPKC-TUAOUCFPSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH3+])C1 ZINC000419046181 354026829 /nfs/dbraw/zinc/02/68/29/354026829.db2.gz PFZJQRIFLLIUDE-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO CN(CCN)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419135838 354030609 /nfs/dbraw/zinc/03/06/09/354030609.db2.gz NURFGLWWUMUJQY-LLVKDONJSA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C1CC1 ZINC000419575831 354062891 /nfs/dbraw/zinc/06/28/91/354062891.db2.gz BIBDOZGCVAPNHK-CABZTGNLSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000419579429 354063327 /nfs/dbraw/zinc/06/33/27/354063327.db2.gz GAJXYLWGGKYFLN-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000419581581 354063394 /nfs/dbraw/zinc/06/33/94/354063394.db2.gz INYWJVSCFRZQSZ-MNOVXSKESA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N(C)C1CC1 ZINC000419579905 354063609 /nfs/dbraw/zinc/06/36/09/354063609.db2.gz GZEZLVWFJAPUSC-SECBINFHSA-N 1 3 270.377 -0.561 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419579896 354063676 /nfs/dbraw/zinc/06/36/76/354063676.db2.gz GXNUMRNJHGXAJA-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419578551 354064212 /nfs/dbraw/zinc/06/42/12/354064212.db2.gz FCGZJWOQENOMPR-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000419581505 354064236 /nfs/dbraw/zinc/06/42/36/354064236.db2.gz IIDNOYPUBZVXRR-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419577368 354064305 /nfs/dbraw/zinc/06/43/05/354064305.db2.gz CYVCPKRDYVBXMC-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419597247 354064661 /nfs/dbraw/zinc/06/46/61/354064661.db2.gz ZWNCMBDOCKBIIB-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419589624 354065285 /nfs/dbraw/zinc/06/52/85/354065285.db2.gz PIKOVVYAYVGDBW-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419593577 354065325 /nfs/dbraw/zinc/06/53/25/354065325.db2.gz SWMMJACYZAIGLS-DGCLKSJQSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C1CC1 ZINC000419596382 354065584 /nfs/dbraw/zinc/06/55/84/354065584.db2.gz YAVQXBFWMQSICM-BXKDBHETSA-N 1 3 282.388 -0.561 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000419873632 354087918 /nfs/dbraw/zinc/08/79/18/354087918.db2.gz MWLYZQJQZGDTFX-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419586403 354065651 /nfs/dbraw/zinc/06/56/51/354065651.db2.gz MWIUAUHUNYADOT-CMPLNLGQSA-N 1 3 284.404 -0.315 20 0 CBADHO C[N@H+](CCNC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCC1 ZINC000419694765 354069786 /nfs/dbraw/zinc/06/97/86/354069786.db2.gz LIZSSPYOCVDHQK-CYBMUJFWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+](CCNC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCC1 ZINC000419694765 354069789 /nfs/dbraw/zinc/06/97/89/354069789.db2.gz LIZSSPYOCVDHQK-CYBMUJFWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419695483 354069907 /nfs/dbraw/zinc/06/99/07/354069907.db2.gz MXOJABNGGWKERU-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419695483 354069908 /nfs/dbraw/zinc/06/99/08/354069908.db2.gz MXOJABNGGWKERU-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419692762 354069976 /nfs/dbraw/zinc/06/99/76/354069976.db2.gz HFHZYSUGKVLRCS-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419697187 354070269 /nfs/dbraw/zinc/07/02/69/354070269.db2.gz QHFMRNKJUWQMGF-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419697456 354070328 /nfs/dbraw/zinc/07/03/28/354070328.db2.gz QRVYOISSEHWVQX-NEPJUHHUSA-N 1 3 294.399 -0.402 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419693456 354070562 /nfs/dbraw/zinc/07/05/62/354070562.db2.gz IPKXCMPTEJHVFB-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](CCNC(=O)C(=O)N[C@@H](C)CN)[NH+]1CCCCC1 ZINC000419716100 354071058 /nfs/dbraw/zinc/07/10/58/354071058.db2.gz QCUHZDDPWQVXHW-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419721317 354073011 /nfs/dbraw/zinc/07/30/11/354073011.db2.gz GQRDMIKOSUAGRH-LLVKDONJSA-N 1 3 272.393 -0.456 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCCC[NH2+]C ZINC000419730975 354074095 /nfs/dbraw/zinc/07/40/95/354074095.db2.gz LDNUMBWVVVZIKJ-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419740896 354074933 /nfs/dbraw/zinc/07/49/33/354074933.db2.gz YOJXXTFHFDGDTE-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419766610 354075626 /nfs/dbraw/zinc/07/56/26/354075626.db2.gz RTLUSTLEGVZCBS-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419763987 354075663 /nfs/dbraw/zinc/07/56/63/354075663.db2.gz OVCWZTBUEJZSLR-CYBMUJFWSA-N 1 3 298.431 -0.050 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419769243 354076494 /nfs/dbraw/zinc/07/64/94/354076494.db2.gz DOUZEBLFFPBBMB-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419782453 354077710 /nfs/dbraw/zinc/07/77/10/354077710.db2.gz OOLXVNHCLQKEEH-PWSUYJOCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419785074 354077772 /nfs/dbraw/zinc/07/77/72/354077772.db2.gz YHBMNFHIWDOZPU-RYUDHWBXSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCN)C(C)C ZINC000419797935 354078533 /nfs/dbraw/zinc/07/85/33/354078533.db2.gz VXGWBKIAVNALTN-UHFFFAOYSA-N 1 3 272.393 -0.362 20 0 CBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[NH3+] ZINC000419819179 354080422 /nfs/dbraw/zinc/08/04/22/354080422.db2.gz PNTVTUKPUCNSJK-UHFFFAOYSA-N 1 3 298.412 -0.287 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419883360 354088548 /nfs/dbraw/zinc/08/85/48/354088548.db2.gz DDLBWARBVRGNGY-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419823623 354080459 /nfs/dbraw/zinc/08/04/59/354080459.db2.gz MDPVEDGTRGZHBB-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419837441 354082445 /nfs/dbraw/zinc/08/24/45/354082445.db2.gz MCUCUIXFXGQDQK-CYBMUJFWSA-N 1 3 296.415 -0.072 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419839760 354082986 /nfs/dbraw/zinc/08/29/86/354082986.db2.gz BONZGDMRKOVYQB-UHFFFAOYSA-N 1 3 286.420 -0.242 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838554 354083011 /nfs/dbraw/zinc/08/30/11/354083011.db2.gz GBZUBTLSFCONPS-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[NH3+])N1CCC[C@H](C)C1 ZINC000419839250 354083235 /nfs/dbraw/zinc/08/32/35/354083235.db2.gz QBUYNVNNTKWJDT-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCC[NH3+] ZINC000419840142 354083278 /nfs/dbraw/zinc/08/32/78/354083278.db2.gz RRVQMCTXTYGQJX-UHFFFAOYSA-N 1 3 296.371 -0.365 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419847374 354083959 /nfs/dbraw/zinc/08/39/59/354083959.db2.gz SZRQLIDZZRKOGY-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419847540 354084256 /nfs/dbraw/zinc/08/42/56/354084256.db2.gz RPMRUVWLNALYIR-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419849712 354084796 /nfs/dbraw/zinc/08/47/96/354084796.db2.gz ZHVHKGQJWYCHDT-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419858552 354085531 /nfs/dbraw/zinc/08/55/31/354085531.db2.gz IFTGGAGRJYMGLU-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419293049 354044126 /nfs/dbraw/zinc/04/41/26/354044126.db2.gz ZYNPJDUQGDLYRH-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419292757 354044947 /nfs/dbraw/zinc/04/49/47/354044947.db2.gz ZLGWKOJMEMPSLV-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419288172 354044985 /nfs/dbraw/zinc/04/49/85/354044985.db2.gz QZDUQHVKGFETGV-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419402633 354050919 /nfs/dbraw/zinc/05/09/19/354050919.db2.gz COUUKCLBNNUMLE-VXGBXAGGSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419402688 354051118 /nfs/dbraw/zinc/05/11/18/354051118.db2.gz CVPGDRACMIKZSP-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419411050 354052313 /nfs/dbraw/zinc/05/23/13/354052313.db2.gz PTUGYQIRWVSYTL-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419413617 354052780 /nfs/dbraw/zinc/05/27/80/354052780.db2.gz SGEHTXCGLKNXTD-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419417644 354053288 /nfs/dbraw/zinc/05/32/88/354053288.db2.gz XKDQVIPLMSBREC-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419419929 354053396 /nfs/dbraw/zinc/05/33/96/354053396.db2.gz JILHMTVHXXZPQN-YPMHNXCESA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419415155 354053488 /nfs/dbraw/zinc/05/34/88/354053488.db2.gz UUBPQTGDRYARKM-LBPRGKRZSA-N 1 3 284.404 -0.455 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419086 354053800 /nfs/dbraw/zinc/05/38/00/354053800.db2.gz YVRZDFDOABPREJ-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1CC1 ZINC000419501125 354056091 /nfs/dbraw/zinc/05/60/91/354056091.db2.gz ASAMSSAXOWBLBX-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419519022 354057139 /nfs/dbraw/zinc/05/71/39/354057139.db2.gz FFMVUPGCSXMYDX-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000419519022 354057142 /nfs/dbraw/zinc/05/71/42/354057142.db2.gz FFMVUPGCSXMYDX-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000419522440 354057283 /nfs/dbraw/zinc/05/72/83/354057283.db2.gz MKUYZDBKPCIREE-OAHLLOKOSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419524518 354058560 /nfs/dbraw/zinc/05/85/60/354058560.db2.gz PXLGORROQHOYSO-NWDGAFQWSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419528033 354058666 /nfs/dbraw/zinc/05/86/66/354058666.db2.gz VUDDCPRTFHDCJV-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419881367 354089231 /nfs/dbraw/zinc/08/92/31/354089231.db2.gz WDZPAEURSVEUNH-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000419912924 354093670 /nfs/dbraw/zinc/09/36/70/354093670.db2.gz YDUBRQYSGDCCKE-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933263 354094555 /nfs/dbraw/zinc/09/45/55/354094555.db2.gz GGPQCEVNFUYOMU-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419950198 354096241 /nfs/dbraw/zinc/09/62/41/354096241.db2.gz LXNBPGUCCHXZDC-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419954424 354096297 /nfs/dbraw/zinc/09/62/97/354096297.db2.gz LWVUNNXOQFLGBE-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000419954784 354096503 /nfs/dbraw/zinc/09/65/03/354096503.db2.gz QVRUYVUCLNLKFQ-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419961054 354097279 /nfs/dbraw/zinc/09/72/79/354097279.db2.gz SWNQKVUGBKXCLP-XQQFMLRXSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419981655 354099284 /nfs/dbraw/zinc/09/92/84/354099284.db2.gz APODRCMERDYSPN-LLVKDONJSA-N 1 3 272.393 -0.362 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420005457 354101110 /nfs/dbraw/zinc/10/11/10/354101110.db2.gz PJFMBCKERPPLFB-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419996920 354101143 /nfs/dbraw/zinc/10/11/43/354101143.db2.gz OCWSSXUDIQXAKR-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)CN ZINC000419993726 354101318 /nfs/dbraw/zinc/10/13/18/354101318.db2.gz FWJQFEJCOVWOOC-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000420032733 354104134 /nfs/dbraw/zinc/10/41/34/354104134.db2.gz UTUMIDWTMMXDPG-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420027331 354104420 /nfs/dbraw/zinc/10/44/20/354104420.db2.gz KVHCWFZCYJMPLF-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420062872 354106173 /nfs/dbraw/zinc/10/61/73/354106173.db2.gz MPGREOFQIJUWGO-LBPRGKRZSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420064393 354106679 /nfs/dbraw/zinc/10/66/79/354106679.db2.gz WBBUHRHTXCQWRX-UHFFFAOYSA-N 1 3 272.393 -0.362 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420071950 354107640 /nfs/dbraw/zinc/10/76/40/354107640.db2.gz YOSCHOORRVBSBV-GFCCVEGCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000420108590 354109028 /nfs/dbraw/zinc/10/90/28/354109028.db2.gz CRDTZNZHWKEUOA-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C ZINC000420152913 354114098 /nfs/dbraw/zinc/11/40/98/354114098.db2.gz ZWLQPWLBUCHDNL-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO CCOC(=O)CCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420294521 354122044 /nfs/dbraw/zinc/12/20/44/354122044.db2.gz OREKPVXSWXXIGU-NSHDSACASA-N 1 3 271.361 -0.274 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423394072 354175037 /nfs/dbraw/zinc/17/50/37/354175037.db2.gz ZLAGWKBZVWXQBH-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000422044308 354142351 /nfs/dbraw/zinc/14/23/51/354142351.db2.gz XLPBOUBCFYIDJG-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000422044308 354142352 /nfs/dbraw/zinc/14/23/52/354142352.db2.gz XLPBOUBCFYIDJG-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000422614460 354150344 /nfs/dbraw/zinc/15/03/44/354150344.db2.gz YREJKAHBMUDXRZ-NNYUYHANSA-N 1 3 252.362 -0.060 20 0 CBADHO CN(C)CCOCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422619080 354150824 /nfs/dbraw/zinc/15/08/24/354150824.db2.gz MJBFHSHZWDUPPH-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422970865 354158287 /nfs/dbraw/zinc/15/82/87/354158287.db2.gz HHOFYQXMHVPYMW-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000422966750 354158548 /nfs/dbraw/zinc/15/85/48/354158548.db2.gz ANJDKRYEKUMKOQ-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422972965 354158866 /nfs/dbraw/zinc/15/88/66/354158866.db2.gz NGEVKSJNIYEGLK-AGIUHOORSA-N 1 3 296.415 -0.347 20 0 CBADHO CCS(=O)(=O)N1CC(CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423055002 354161608 /nfs/dbraw/zinc/16/16/08/354161608.db2.gz CNTYMQZBJHXNEP-PWSUYJOCSA-N 1 3 275.418 -0.145 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423064275 354161784 /nfs/dbraw/zinc/16/17/84/354161784.db2.gz YRFKPJSWILDGPW-LLVKDONJSA-N 1 3 270.377 -0.654 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423198955 354164726 /nfs/dbraw/zinc/16/47/26/354164726.db2.gz IUTJXWLBPXWZJS-CHWSQXEVSA-N 1 3 294.399 -0.367 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000423508281 354178602 /nfs/dbraw/zinc/17/86/02/354178602.db2.gz KROKANGPGGSTRX-LBPRGKRZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423511984 354178851 /nfs/dbraw/zinc/17/88/51/354178851.db2.gz QJDDZUVVQJLLKW-BETUJISGSA-N 1 3 296.415 -0.537 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423573795 354180800 /nfs/dbraw/zinc/18/08/00/354180800.db2.gz ZPWBOSKPVKQIJD-UPJWGTAASA-N 1 3 294.399 -0.369 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423598569 354183053 /nfs/dbraw/zinc/18/30/53/354183053.db2.gz VYJWHNNOSHLDDI-QWHCGFSZSA-N 1 3 296.415 -0.123 20 0 CBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000423638371 354187530 /nfs/dbraw/zinc/18/75/30/354187530.db2.gz DPNMJFBCIWYNPY-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423714756 354192892 /nfs/dbraw/zinc/19/28/92/354192892.db2.gz SODACNIQJLMNDK-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423704680 354193249 /nfs/dbraw/zinc/19/32/49/354193249.db2.gz MWGSLQDAWYKDFX-LLVKDONJSA-N 1 3 284.404 -0.265 20 0 CBADHO COCC[C@]1(C(=O)N2CCO[C@@H](CN(C)C)C2)CC[NH2+]C1 ZINC000423755644 354197168 /nfs/dbraw/zinc/19/71/68/354197168.db2.gz KCWJXTMSWNSFEU-DZGCQCFKSA-N 1 3 299.415 -0.208 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423762210 354198176 /nfs/dbraw/zinc/19/81/76/354198176.db2.gz TVSLUGLYQLJPFJ-UHFFFAOYSA-N 1 3 297.399 -0.013 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)CC1=O ZINC000423941845 354206281 /nfs/dbraw/zinc/20/62/81/354206281.db2.gz DFBAQGFLJYHSNE-CHWSQXEVSA-N 1 3 296.415 -0.408 20 0 CBADHO CN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424170672 354214418 /nfs/dbraw/zinc/21/44/18/354214418.db2.gz KKYZJPQOMXTBCO-JTQLQIEISA-N 1 3 266.349 -0.506 20 0 CBADHO CC(C)(N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430883272 354250550 /nfs/dbraw/zinc/25/05/50/354250550.db2.gz BZZNGTHBIYDFRM-SNVBAGLBSA-N 1 3 270.377 -0.573 20 0 CBADHO CC(C)(N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430883272 354250553 /nfs/dbraw/zinc/25/05/53/354250553.db2.gz BZZNGTHBIYDFRM-SNVBAGLBSA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)CN1CCN(C)CC1 ZINC000431016189 354251699 /nfs/dbraw/zinc/25/16/99/354251699.db2.gz YVUMLOZCEFMTFX-UONOGXRCSA-N 1 3 298.431 -0.635 20 0 CBADHO C[NH2+]CCCN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000435873684 354255135 /nfs/dbraw/zinc/25/51/35/354255135.db2.gz FKVRAFZNCYCBJB-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO c1cn([C@H]2CCCN(CCN3CC[NH2+]CC3)C2)nn1 ZINC000424329508 354222811 /nfs/dbraw/zinc/22/28/11/354222811.db2.gz GPTDYBXYOQDXED-ZDUSSCGKSA-N 1 3 264.377 -0.180 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269052 354267453 /nfs/dbraw/zinc/26/74/53/354267453.db2.gz OXMZVCIHAWMQCY-ZFWWWQNUSA-N 1 3 280.416 -0.260 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454550583 354355706 /nfs/dbraw/zinc/35/57/06/354355706.db2.gz RFUGINRSXDLLQN-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749898 354321751 /nfs/dbraw/zinc/32/17/51/354321751.db2.gz HDTWULNYJYGZGB-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726357 354321938 /nfs/dbraw/zinc/32/19/38/354321938.db2.gz KLKXONUSYXEBQT-RWMBFGLXSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000459042462 354382000 /nfs/dbraw/zinc/38/20/00/354382000.db2.gz OVFOEWNVQRYUSH-NSHDSACASA-N 1 3 260.382 -0.450 20 0 CBADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)CN1 ZINC000479279197 354407076 /nfs/dbraw/zinc/40/70/76/354407076.db2.gz IKENJHYZPILXDX-WRWGMCAJSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@@H](O)CN1 ZINC000479279197 354407082 /nfs/dbraw/zinc/40/70/82/354407082.db2.gz IKENJHYZPILXDX-WRWGMCAJSA-N 1 3 253.346 -0.548 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000487130847 354412275 /nfs/dbraw/zinc/41/22/75/354412275.db2.gz PXEVKZQZKULQJG-CQSZACIVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCOCCN(C)C ZINC000487237217 354413158 /nfs/dbraw/zinc/41/31/58/354413158.db2.gz XWPBJUCBFSYDTH-VXGBXAGGSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCOCCN(C)C ZINC000487237217 354413163 /nfs/dbraw/zinc/41/31/63/354413163.db2.gz XWPBJUCBFSYDTH-VXGBXAGGSA-N 1 3 257.378 -0.122 20 0 CBADHO COCCN1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491904850 354462010 /nfs/dbraw/zinc/46/20/10/354462010.db2.gz LAMZGWBBHOAXLP-ZYOFXKKJSA-N 1 3 255.362 -0.059 20 0 CBADHO CN(C)C/C=C\C(=O)NCCCNC(=O)/C=C\C[NH+](C)C ZINC000492916283 354485108 /nfs/dbraw/zinc/48/51/08/354485108.db2.gz AMABWDRDAFHZLN-VVRUXRSYSA-N 1 3 296.415 -0.156 20 0 CBADHO CCOC(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000492969513 354485887 /nfs/dbraw/zinc/48/58/87/354485887.db2.gz UPOXDNBNLWQVEI-UHFFFAOYSA-N 1 3 288.392 -0.316 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000515523113 354556004 /nfs/dbraw/zinc/55/60/04/354556004.db2.gz OFXMTXKBSIXWGH-IJLUTSLNSA-N 1 3 269.393 -0.731 20 0 CBADHO CN1CCC[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519543798 354562443 /nfs/dbraw/zinc/56/24/43/354562443.db2.gz NFVMNULNTQGVJG-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519546233 354562580 /nfs/dbraw/zinc/56/25/80/354562580.db2.gz UFANQHZNHRGOOE-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CN[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000519611454 354565928 /nfs/dbraw/zinc/56/59/28/354565928.db2.gz LHFMFNJHVXPTGU-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CN[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000519611454 354565932 /nfs/dbraw/zinc/56/59/32/354565932.db2.gz LHFMFNJHVXPTGU-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000520576758 354568634 /nfs/dbraw/zinc/56/86/34/354568634.db2.gz UHOVDXJFALKGBA-ZIAGYGMSSA-N 1 3 280.416 -0.025 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc(C(N)=O)c1 ZINC000546154774 354652297 /nfs/dbraw/zinc/65/22/97/354652297.db2.gz FJSWWAGEQSGEEM-UHFFFAOYSA-N 1 3 296.371 -0.056 20 0 CBADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+](C)C1CC1 ZINC000546590834 354653141 /nfs/dbraw/zinc/65/31/41/354653141.db2.gz NUORUXPOCVSKGU-RISCZKNCSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+](C)C1CC1 ZINC000546590834 354653146 /nfs/dbraw/zinc/65/31/46/354653146.db2.gz NUORUXPOCVSKGU-RISCZKNCSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+](C)C1CC1 ZINC000546590832 354653399 /nfs/dbraw/zinc/65/33/99/354653399.db2.gz NUORUXPOCVSKGU-BXUZGUMPSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+](C)C1CC1 ZINC000546590832 354653403 /nfs/dbraw/zinc/65/34/03/354653403.db2.gz NUORUXPOCVSKGU-BXUZGUMPSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+](C)C1CC1 ZINC000546590833 354653658 /nfs/dbraw/zinc/65/36/58/354653658.db2.gz NUORUXPOCVSKGU-FZMZJTMJSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+](C)C1CC1 ZINC000546590833 354653659 /nfs/dbraw/zinc/65/36/59/354653659.db2.gz NUORUXPOCVSKGU-FZMZJTMJSA-N 1 3 284.404 -0.165 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590487 354653713 /nfs/dbraw/zinc/65/37/13/354653713.db2.gz BXFBFWMGJTWCQE-IUODEOHRSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590487 354653714 /nfs/dbraw/zinc/65/37/14/354653714.db2.gz BXFBFWMGJTWCQE-IUODEOHRSA-N 1 3 296.415 -0.164 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C)cn1 ZINC000536308137 354605532 /nfs/dbraw/zinc/60/55/32/354605532.db2.gz BJJFXKNAJBCLCQ-UHFFFAOYSA-N 1 3 267.377 -0.015 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562800016 354688449 /nfs/dbraw/zinc/68/84/49/354688449.db2.gz DNYYIHODRZSHEE-NDBYEHHHSA-N 1 3 282.388 -0.386 20 0 CBADHO COCC1(CNC(=O)CNC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000562977764 354690565 /nfs/dbraw/zinc/69/05/65/354690565.db2.gz NDOLCSCBJLSLBH-CYBMUJFWSA-N 1 3 299.415 -0.113 20 0 CBADHO NC(C(=O)N1CCCO[C@H](C[NH3+])C1)C(F)(F)F ZINC000563112634 354697426 /nfs/dbraw/zinc/69/74/26/354697426.db2.gz HZPODJHLEYWKHL-RQJHMYQMSA-N 1 3 255.240 -0.548 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563116121 354697749 /nfs/dbraw/zinc/69/77/49/354697749.db2.gz ZIUDNWASYXTLMU-VHSXEESVSA-N 1 3 279.344 -0.795 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000563143663 354699194 /nfs/dbraw/zinc/69/91/94/354699194.db2.gz QVYAAFNAANUZCV-STQMWFEESA-N 1 3 286.347 -0.127 20 0 CBADHO O=C(CCN1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCNCC1 ZINC000563150012 354699734 /nfs/dbraw/zinc/69/97/34/354699734.db2.gz SYUMLXOSPCEQAK-CHWSQXEVSA-N 1 3 266.389 -0.508 20 0 CBADHO CN1CCC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563198271 354701965 /nfs/dbraw/zinc/70/19/65/354701965.db2.gz NEOXQXSRUSPDGZ-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1CCC(C)CC1 ZINC000563946438 354708016 /nfs/dbraw/zinc/70/80/16/354708016.db2.gz HGLDHQKIAZLAFW-LLVKDONJSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000564989223 354724490 /nfs/dbraw/zinc/72/44/90/354724490.db2.gz BYUNEPVPAYDTAU-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC2CNC2)C1 ZINC000565763853 354745758 /nfs/dbraw/zinc/74/57/58/354745758.db2.gz FHYIBIPOVWNONK-VXGBXAGGSA-N 1 3 296.415 -0.441 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000565775561 354745798 /nfs/dbraw/zinc/74/57/98/354745798.db2.gz YTRUONQMNOXDFZ-WDEREUQCSA-N 1 3 274.386 -0.205 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566189412 354756148 /nfs/dbraw/zinc/75/61/48/354756148.db2.gz IRFATLNZTKHFTM-AAEUAGOBSA-N 1 3 266.389 -0.367 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@H]21 ZINC000566561411 354770894 /nfs/dbraw/zinc/77/08/94/354770894.db2.gz YETKVQSKHSBRHH-FDYHWXHSSA-N 1 3 267.373 -0.049 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000566864347 354776457 /nfs/dbraw/zinc/77/64/57/354776457.db2.gz BTIOMUWWSRAWTE-ZJUUUORDSA-N 1 3 268.361 -0.937 20 0 CBADHO CCC[C@H](N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000566915150 354776982 /nfs/dbraw/zinc/77/69/82/354776982.db2.gz TZLKOBGIHPMFCW-SCRDCRAPSA-N 1 3 296.415 -0.123 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567063210 354780677 /nfs/dbraw/zinc/78/06/77/354780677.db2.gz RQHHZIJOGVTGGE-NEPJUHHUSA-N 1 3 297.403 -0.672 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000567111504 354781510 /nfs/dbraw/zinc/78/15/10/354781510.db2.gz CAKBVNUJMLUZHS-SRVKXCTJSA-N 1 3 283.372 -0.181 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000567165742 354782304 /nfs/dbraw/zinc/78/23/04/354782304.db2.gz WSZIVWFIORPTDL-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO COCCNCC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000567384042 354786511 /nfs/dbraw/zinc/78/65/11/354786511.db2.gz OWSDADPZWKCJRU-GFCCVEGCSA-N 1 3 259.350 -0.893 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000565477723 354739026 /nfs/dbraw/zinc/73/90/26/354739026.db2.gz POZPJGUHSAAFSB-ZDUSSCGKSA-N 1 3 299.415 -0.018 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567839311 354800940 /nfs/dbraw/zinc/80/09/40/354800940.db2.gz JJUFXCBKOUGWCA-NWJSVONSSA-N 1 3 297.399 -0.295 20 0 CBADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000567875424 354802624 /nfs/dbraw/zinc/80/26/24/354802624.db2.gz DQHRSUNOJGSADZ-CABCVRRESA-N 1 3 296.415 -0.074 20 0 CBADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000567875427 354802704 /nfs/dbraw/zinc/80/27/04/354802704.db2.gz DQHRSUNOJGSADZ-LSDHHAIUSA-N 1 3 296.415 -0.074 20 0 CBADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Cn1cccn1 ZINC000567875762 354802739 /nfs/dbraw/zinc/80/27/39/354802739.db2.gz KUUKSGXUUTYTNF-STQMWFEESA-N 1 3 268.361 -0.710 20 0 CBADHO CN(C)[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC000567913974 354805080 /nfs/dbraw/zinc/80/50/80/354805080.db2.gz KMKDBVOOPNIXOB-RYUDHWBXSA-N 1 3 257.378 -0.148 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)C1 ZINC000568211614 354815292 /nfs/dbraw/zinc/81/52/92/354815292.db2.gz CXDSVAHDNKYVDP-SMDDNHRTSA-N 1 3 267.373 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)C1 ZINC000568211614 354815293 /nfs/dbraw/zinc/81/52/93/354815293.db2.gz CXDSVAHDNKYVDP-SMDDNHRTSA-N 1 3 267.373 -0.489 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568293819 354821041 /nfs/dbraw/zinc/82/10/41/354821041.db2.gz GCKQQEDUIWQFOG-KBPBESRZSA-N 1 3 297.447 -0.079 20 0 CBADHO O=C(COC1CNC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568390413 354822413 /nfs/dbraw/zinc/82/24/13/354822413.db2.gz MGEWYGMNXVTOIC-NEPJUHHUSA-N 1 3 267.373 -0.177 20 0 CBADHO CN1CCN(CCCCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000568386302 354822558 /nfs/dbraw/zinc/82/25/58/354822558.db2.gz INAILGYBRWBALO-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1 ZINC000568749332 354830549 /nfs/dbraw/zinc/83/05/49/354830549.db2.gz WDYUEVHZKGGHIE-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO CS(=O)(=O)NCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568765704 354831585 /nfs/dbraw/zinc/83/15/85/354831585.db2.gz WFNVTQQSUYRRNJ-PHIMTYICSA-N 1 3 261.391 -0.533 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000568766849 354831763 /nfs/dbraw/zinc/83/17/63/354831763.db2.gz HRLFPSVPSFVKDR-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C1=CCN(C)CC1 ZINC000567711015 354794157 /nfs/dbraw/zinc/79/41/57/354794157.db2.gz XNYPIWFSLKGQPA-HIFRSBDPSA-N 1 3 283.416 -0.081 20 0 CBADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CNCCO1 ZINC000567725776 354795592 /nfs/dbraw/zinc/79/55/92/354795592.db2.gz JVCJUZOJNKITDD-UWVGGRQHSA-N 1 3 259.375 -0.814 20 0 CBADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CNCCO1 ZINC000567725777 354795673 /nfs/dbraw/zinc/79/56/73/354795673.db2.gz JVCJUZOJNKITDD-VHSXEESVSA-N 1 3 259.375 -0.814 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567772275 354796602 /nfs/dbraw/zinc/79/66/02/354796602.db2.gz NAFAXKFRDHRYJK-VXGBXAGGSA-N 1 3 292.387 -0.146 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000569327505 354842886 /nfs/dbraw/zinc/84/28/86/354842886.db2.gz RRLAMFFDTRSJDC-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000569694529 354844195 /nfs/dbraw/zinc/84/41/95/354844195.db2.gz XSPVEIUCPSBZTB-PWSUYJOCSA-N 1 3 270.377 -0.717 20 0 CBADHO COCCNC(=O)CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000569726362 354844917 /nfs/dbraw/zinc/84/49/17/354844917.db2.gz KYBPBXJAPBSARO-CQSZACIVSA-N 1 3 298.431 -0.634 20 0 CBADHO CO[C@H](CN)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000569925969 354849796 /nfs/dbraw/zinc/84/97/96/354849796.db2.gz IDGRNDWZNUCTIB-YNEHKIRRSA-N 1 3 263.341 -0.087 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccnn1C ZINC000570257538 354857766 /nfs/dbraw/zinc/85/77/66/354857766.db2.gz DDQYJTYFFITWDP-UHFFFAOYSA-N 1 3 281.404 -0.086 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000570329675 354859381 /nfs/dbraw/zinc/85/93/81/354859381.db2.gz DUNIOMJGIYFWNF-MNOVXSKESA-N 1 3 282.388 -0.560 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCC(=O)OC ZINC000570449380 354862191 /nfs/dbraw/zinc/86/21/91/354862191.db2.gz ZSRPEMUZNXLPKY-NXEZZACHSA-N 1 3 259.350 -0.099 20 0 CBADHO CN(C)CCC[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000570437123 354862316 /nfs/dbraw/zinc/86/23/16/354862316.db2.gz JGYCMCDEEISHLO-UHFFFAOYSA-N 1 3 268.361 -0.533 20 0 CBADHO CN(C)CCC[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000570437123 354862319 /nfs/dbraw/zinc/86/23/19/354862319.db2.gz JGYCMCDEEISHLO-UHFFFAOYSA-N 1 3 268.361 -0.533 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000572347029 354891087 /nfs/dbraw/zinc/89/10/87/354891087.db2.gz PJZQAOBAAWISGX-WOPDTQHZSA-N 1 3 254.378 -0.524 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1C1CC1 ZINC000572719348 354895612 /nfs/dbraw/zinc/89/56/12/354895612.db2.gz XFMFUGZKYVOQRB-WDEREUQCSA-N 1 3 292.387 -0.018 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572736049 354896737 /nfs/dbraw/zinc/89/67/37/354896737.db2.gz IORUWRVNXCEJRE-XQHKEYJVSA-N 1 3 294.399 -0.370 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572736049 354896740 /nfs/dbraw/zinc/89/67/40/354896740.db2.gz IORUWRVNXCEJRE-XQHKEYJVSA-N 1 3 294.399 -0.370 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572878521 354900454 /nfs/dbraw/zinc/90/04/54/354900454.db2.gz MTUSGKLNXLYLAZ-TXEJJXNPSA-N 1 3 267.373 -0.177 20 0 CBADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000573075190 354904009 /nfs/dbraw/zinc/90/40/09/354904009.db2.gz NDOFPTVPUAOSIZ-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO CN(CCC(=O)N1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000573249823 354909160 /nfs/dbraw/zinc/90/91/60/354909160.db2.gz FMVSNVCVQRJZNQ-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCN(C(=O)CC[N@H+](C)C2CCNCC2)CC1 ZINC000573249823 354909162 /nfs/dbraw/zinc/90/91/62/354909162.db2.gz FMVSNVCVQRJZNQ-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCN(C(=O)CC[N@@H+](C)C2CCNCC2)CC1 ZINC000573249823 354909164 /nfs/dbraw/zinc/90/91/64/354909164.db2.gz FMVSNVCVQRJZNQ-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865977 354882611 /nfs/dbraw/zinc/88/26/11/354882611.db2.gz AMOFTWIKIHFXAB-VHSXEESVSA-N 1 3 291.346 -0.732 20 0 CBADHO COC[C@@]1(CNC(=O)C[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000573844218 354923417 /nfs/dbraw/zinc/92/34/17/354923417.db2.gz QYGKOPBJKPOHCP-YPMHNXCESA-N 1 3 271.361 -0.750 20 0 CBADHO C[C@@H](CNC[C@@H](O)CN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000573954177 354925310 /nfs/dbraw/zinc/92/53/10/354925310.db2.gz XMIUNJGRUUNOLB-JKSUJKDBSA-N 1 3 298.475 -0.084 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574038768 354927763 /nfs/dbraw/zinc/92/77/63/354927763.db2.gz NYWYTONQDCMNEL-GRYCIOLGSA-N 1 3 253.346 -0.567 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)CCN(C)C ZINC000574142149 354929765 /nfs/dbraw/zinc/92/97/65/354929765.db2.gz IIFFHXMXMFGFPC-ZDUSSCGKSA-N 1 3 287.452 -0.023 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000574200850 354930676 /nfs/dbraw/zinc/93/06/76/354930676.db2.gz ACLBNVCJMLHMEO-CQSZACIVSA-N 1 3 299.415 -0.018 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578442547 354946181 /nfs/dbraw/zinc/94/61/81/354946181.db2.gz XGZZAYIXXQQEFO-CHWSQXEVSA-N 1 3 293.371 -0.474 20 0 CBADHO CC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000579025981 354961285 /nfs/dbraw/zinc/96/12/85/354961285.db2.gz OOTQWHAXLCTXDH-UHIISALHSA-N 1 3 280.372 -0.711 20 0 CBADHO NC(C(=O)NCCNc1cc[nH+]cc1)C(F)(F)F ZINC000578646003 354950864 /nfs/dbraw/zinc/95/08/64/354950864.db2.gz HBEUPZIJTCZRBV-QMMMGPOBSA-N 1 3 262.235 -0.079 20 0 CBADHO CC[C@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000578647852 354952010 /nfs/dbraw/zinc/95/20/10/354952010.db2.gz LOCZWOLIJYCYPK-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CNC3)C2)CC1 ZINC000578972226 354959174 /nfs/dbraw/zinc/95/91/74/354959174.db2.gz VVVCCBMBXVBVTN-LBPRGKRZSA-N 1 3 294.399 -0.735 20 0 CBADHO OCC[C@@H]1CSCCN1CCN1CC[NH2+]CC1 ZINC000579122712 354962843 /nfs/dbraw/zinc/96/28/43/354962843.db2.gz JJTNZTJGGNNZQL-GFCCVEGCSA-N 1 3 259.419 -0.309 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124924 354963434 /nfs/dbraw/zinc/96/34/34/354963434.db2.gz YKGUEWRADOUVQH-NWDGAFQWSA-N 1 3 257.378 -0.148 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124924 354963435 /nfs/dbraw/zinc/96/34/35/354963435.db2.gz YKGUEWRADOUVQH-NWDGAFQWSA-N 1 3 257.378 -0.148 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343897611 291048972 /nfs/dbraw/zinc/04/89/72/291048972.db2.gz XIYLUHUAFZUXRT-WOPDTQHZSA-N 1 3 283.372 -0.038 20 0 CBADHO CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000579333385 354966967 /nfs/dbraw/zinc/96/69/67/354966967.db2.gz BGLDKHNWJQRTMX-NEPJUHHUSA-N 1 3 269.393 -0.587 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343897611 291048976 /nfs/dbraw/zinc/04/89/76/291048976.db2.gz XIYLUHUAFZUXRT-WOPDTQHZSA-N 1 3 283.372 -0.038 20 0 CBADHO CN1CCN(C(=O)NCC2([NH+](C)C)CCC2)[C@H](CN)C1 ZINC000579333268 354967075 /nfs/dbraw/zinc/96/70/75/354967075.db2.gz WTUGTEKFUQEXOH-GFCCVEGCSA-N 1 3 283.420 -0.245 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(C)CC1 ZINC000579370330 354968928 /nfs/dbraw/zinc/96/89/28/354968928.db2.gz FSQNLESYHYTTOD-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)COC2CNC2)CC1 ZINC000579708872 354977009 /nfs/dbraw/zinc/97/70/09/354977009.db2.gz OOOUPDRSQVXCIY-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000579830856 354980119 /nfs/dbraw/zinc/98/01/19/354980119.db2.gz YEDZKTFIPJDAMK-GHMZBOCLSA-N 1 3 270.377 -0.717 20 0 CBADHO CO[C@@H]1CCN(C(=O)CCOC2CNC2)[C@@H](C[NH3+])C1 ZINC000579946027 354982947 /nfs/dbraw/zinc/98/29/47/354982947.db2.gz MENYVISKJPQQSH-GHMZBOCLSA-N 1 3 271.361 -0.670 20 0 CBADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000580201229 354990773 /nfs/dbraw/zinc/99/07/73/354990773.db2.gz CJCAJVGODMKEOS-TUAOUCFPSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000580292270 354991975 /nfs/dbraw/zinc/99/19/75/354991975.db2.gz UYMZLGCJWUJMLT-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000580309086 354992526 /nfs/dbraw/zinc/99/25/26/354992526.db2.gz CXEJKCMMJWNDHK-SNVBAGLBSA-N 1 3 266.349 -0.679 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C1(C)C[NH2+]C1 ZINC000580323331 354993680 /nfs/dbraw/zinc/99/36/80/354993680.db2.gz SOYJSQYUMFVHFV-UHFFFAOYSA-N 1 3 268.405 -0.308 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000580740424 354996645 /nfs/dbraw/zinc/99/66/45/354996645.db2.gz NSUNMYUZTNGIMY-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](CN)C1 ZINC000580823787 354998771 /nfs/dbraw/zinc/99/87/71/354998771.db2.gz YDJWFWGZSASZPJ-HZSPNIEDSA-N 1 3 295.431 -0.341 20 0 CBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CNC1 ZINC000580942754 355001472 /nfs/dbraw/zinc/00/14/72/355001472.db2.gz ZYJUPBBEJCFBOZ-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CNC1 ZINC000580942754 355001476 /nfs/dbraw/zinc/00/14/76/355001476.db2.gz ZYJUPBBEJCFBOZ-LBPRGKRZSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000580942127 355001657 /nfs/dbraw/zinc/00/16/57/355001657.db2.gz LFNAFGHGZAABIT-KOLCDFICSA-N 1 3 268.361 -0.937 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580950046 355001834 /nfs/dbraw/zinc/00/18/34/355001834.db2.gz BQWYLYHEVUFNDY-VXGBXAGGSA-N 1 3 254.378 -0.524 20 0 CBADHO CC[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000584716274 355035928 /nfs/dbraw/zinc/03/59/28/355035928.db2.gz FYXDIQOJHGQDOH-NWDGAFQWSA-N 1 3 256.394 -0.277 20 0 CBADHO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000584871584 355040854 /nfs/dbraw/zinc/04/08/54/355040854.db2.gz HZLLJKPJOVOBFT-BXUZGUMPSA-N 1 3 282.388 -0.411 20 0 CBADHO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000584871584 355040855 /nfs/dbraw/zinc/04/08/55/355040855.db2.gz HZLLJKPJOVOBFT-BXUZGUMPSA-N 1 3 282.388 -0.411 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCN2C1=O ZINC000582252998 355013108 /nfs/dbraw/zinc/01/31/08/355013108.db2.gz YQXKOVDHARHQKQ-NEPJUHHUSA-N 1 3 292.383 -0.615 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000583872465 355024256 /nfs/dbraw/zinc/02/42/56/355024256.db2.gz JXYRMNPUQUCUQU-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO CC(C)N1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000583937754 355025270 /nfs/dbraw/zinc/02/52/70/355025270.db2.gz ZYWAOUVJQJGODX-NWDGAFQWSA-N 1 3 255.362 -0.348 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC1 ZINC000584039205 355026984 /nfs/dbraw/zinc/02/69/84/355026984.db2.gz HVAJGFWBTNIZOM-UHFFFAOYSA-N 1 3 284.404 -0.439 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)C(=O)C1CC1 ZINC000590817177 355088867 /nfs/dbraw/zinc/08/88/67/355088867.db2.gz QEGZZXXOCBMZIH-UHFFFAOYSA-N 1 3 298.431 -0.193 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592307857 355147379 /nfs/dbraw/zinc/14/73/79/355147379.db2.gz JULJATJYIOAYPL-LPEHRKFASA-N 1 3 261.391 -0.359 20 0 CBADHO COC[C@@]1(CNC(=O)[C@H](N)CCSC)CCC[NH2+]1 ZINC000592338389 355148845 /nfs/dbraw/zinc/14/88/45/355148845.db2.gz YSKSNSVUBZXMAZ-PWSUYJOCSA-N 1 3 275.418 -0.048 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000592471536 355155668 /nfs/dbraw/zinc/15/56/68/355155668.db2.gz YDWADRDPFPONDJ-SNVBAGLBSA-N 1 3 257.334 -0.712 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492179 355158355 /nfs/dbraw/zinc/15/83/55/355158355.db2.gz USCZOBZLSOQNEY-GHMZBOCLSA-N 1 3 268.361 -0.107 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CCC(=O)OC)C[C@H]1C[NH3+] ZINC000593916499 355230071 /nfs/dbraw/zinc/23/00/71/355230071.db2.gz LUQKVEWTTBIKGP-GMTAPVOTSA-N 1 3 287.360 -0.911 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419425850 295901439 /nfs/dbraw/zinc/90/14/39/295901439.db2.gz PUZADXIRAZDZGU-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594873946 355266345 /nfs/dbraw/zinc/26/63/45/355266345.db2.gz WEQLJNHWHXUFET-ZJUUUORDSA-N 1 3 268.361 -0.726 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCC3)CCN2C1=O ZINC000594873871 355266393 /nfs/dbraw/zinc/26/63/93/355266393.db2.gz OQILBKZJZIJWAL-VHSXEESVSA-N 1 3 266.345 -0.972 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878294 355266762 /nfs/dbraw/zinc/26/67/62/355266762.db2.gz FHDQZUPXBVXMCW-NNYUYHANSA-N 1 3 280.372 -0.726 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878297 355266838 /nfs/dbraw/zinc/26/68/38/355266838.db2.gz FHDQZUPXBVXMCW-YFKTTZPYSA-N 1 3 280.372 -0.726 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@@H+]1C ZINC000594877965 355267140 /nfs/dbraw/zinc/26/71/40/355267140.db2.gz ITOWAGBRVOUPGX-DDHJBXDOSA-N 1 3 280.372 -0.903 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@H+]1C ZINC000594877965 355267143 /nfs/dbraw/zinc/26/71/43/355267143.db2.gz ITOWAGBRVOUPGX-DDHJBXDOSA-N 1 3 280.372 -0.903 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000594880428 355267859 /nfs/dbraw/zinc/26/78/59/355267859.db2.gz MNRBRGSKCFSAES-USZNOCQGSA-N 1 3 280.372 -0.868 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CCN2C1=O ZINC000594879330 355267956 /nfs/dbraw/zinc/26/79/56/355267956.db2.gz MZMCVSGVIGYVGX-NDBYEHHHSA-N 1 3 292.383 -0.713 20 0 CBADHO O[C@@H](CNC[C@@H]1CNc2ccnn2C1)C[NH+]1CCCC1 ZINC000595155411 355272907 /nfs/dbraw/zinc/27/29/07/355272907.db2.gz YLTWZTFZPDYXRH-OLZOCXBDSA-N 1 3 279.388 -0.029 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952360 355326767 /nfs/dbraw/zinc/32/67/67/355326767.db2.gz ZVQUJQKZIIENAC-NXEZZACHSA-N 1 3 259.350 -0.244 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266079 355276217 /nfs/dbraw/zinc/27/62/17/355276217.db2.gz YYLLRKWOBMPCSW-RHYQMDGZSA-N 1 3 295.387 -0.790 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]1 ZINC000595264648 355276323 /nfs/dbraw/zinc/27/63/23/355276323.db2.gz DSNNNZZMXZPLMC-KKOKHZNYSA-N 1 3 295.387 -0.920 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000595266657 355276331 /nfs/dbraw/zinc/27/63/31/355276331.db2.gz AZIDNSLNVKFLBQ-GRYCIOLGSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270845 355277234 /nfs/dbraw/zinc/27/72/34/355277234.db2.gz MMYZJOGZIZYCSC-WDEREUQCSA-N 1 3 295.387 -0.789 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[NH3+] ZINC000419425257 295901900 /nfs/dbraw/zinc/90/19/00/295901900.db2.gz PBDXXBTYBFXIHS-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398979 291065432 /nfs/dbraw/zinc/06/54/32/291065432.db2.gz HHVQUHWDNLEHDG-RYUDHWBXSA-N 1 3 285.388 -0.075 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000420312007 291065016 /nfs/dbraw/zinc/06/50/16/291065016.db2.gz HNDHMEXANOBMEY-GHMZBOCLSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000420312007 291065021 /nfs/dbraw/zinc/06/50/21/291065021.db2.gz HNDHMEXANOBMEY-GHMZBOCLSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420312007 291065023 /nfs/dbraw/zinc/06/50/23/291065023.db2.gz HNDHMEXANOBMEY-GHMZBOCLSA-N 1 3 271.361 -0.323 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668926 355449024 /nfs/dbraw/zinc/44/90/24/355449024.db2.gz TXZJFJFZKIXMIN-FRRDWIJNSA-N 1 3 294.399 -0.463 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000598680447 355449885 /nfs/dbraw/zinc/44/98/85/355449885.db2.gz BVCPOCNNUUOFNX-FZMZJTMJSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000598680447 355449886 /nfs/dbraw/zinc/44/98/86/355449886.db2.gz BVCPOCNNUUOFNX-FZMZJTMJSA-N 1 3 283.372 -0.179 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000598668929 355449911 /nfs/dbraw/zinc/44/99/11/355449911.db2.gz TXZJFJFZKIXMIN-YNEHKIRRSA-N 1 3 294.399 -0.463 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000600711583 355562454 /nfs/dbraw/zinc/56/24/54/355562454.db2.gz SHMVUVLNZHPODJ-WDEREUQCSA-N 1 3 271.361 -0.085 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000600711583 355562457 /nfs/dbraw/zinc/56/24/57/355562457.db2.gz SHMVUVLNZHPODJ-WDEREUQCSA-N 1 3 271.361 -0.085 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[NH2+]1 ZINC000599933395 355518850 /nfs/dbraw/zinc/51/88/50/355518850.db2.gz JECKMRUBDXVTBH-NOOOWODRSA-N 1 3 295.387 -0.920 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[NH2+]1 ZINC000599933394 355518958 /nfs/dbraw/zinc/51/89/58/355518958.db2.gz JECKMRUBDXVTBH-KXNHARMFSA-N 1 3 295.387 -0.920 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000601325535 355585393 /nfs/dbraw/zinc/58/53/93/355585393.db2.gz KVCVBQRDIIJTDV-IRCOFANPSA-N 1 3 253.346 -0.345 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000601325535 355585397 /nfs/dbraw/zinc/58/53/97/355585397.db2.gz KVCVBQRDIIJTDV-IRCOFANPSA-N 1 3 253.346 -0.345 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000602532567 355658174 /nfs/dbraw/zinc/65/81/74/355658174.db2.gz YJPHNYJJARPEFA-MNOVXSKESA-N 1 3 271.361 -0.277 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602582870 355662407 /nfs/dbraw/zinc/66/24/07/355662407.db2.gz YIUQOVDZENVNLR-QWRGUYRKSA-N 1 3 271.361 -0.003 20 0 CBADHO CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000602021605 355625533 /nfs/dbraw/zinc/62/55/33/355625533.db2.gz QBRBGDXOUZPRLV-IJLUTSLNSA-N 1 3 254.378 -0.539 20 0 CBADHO CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000602021608 355626083 /nfs/dbraw/zinc/62/60/83/355626083.db2.gz QBRBGDXOUZPRLV-WOPDTQHZSA-N 1 3 254.378 -0.539 20 0 CBADHO COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000603435007 355716086 /nfs/dbraw/zinc/71/60/86/355716086.db2.gz WCBUYXUNQJTFHW-NXEZZACHSA-N 1 3 271.361 -0.277 20 0 CBADHO C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000612887598 355854865 /nfs/dbraw/zinc/85/48/65/355854865.db2.gz QREZKGDAPIXEDN-DZGCQCFKSA-N 1 3 297.447 -0.079 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612979701 355858458 /nfs/dbraw/zinc/85/84/58/355858458.db2.gz IYHUHPFGBZTFOO-FZMZJTMJSA-N 1 3 282.388 -0.506 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993570 355859740 /nfs/dbraw/zinc/85/97/40/355859740.db2.gz OUNTUYVMCDSQLP-GHMZBOCLSA-N 1 3 268.361 -0.584 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995697 355860437 /nfs/dbraw/zinc/86/04/37/355860437.db2.gz ZBAZHDDRAPNPPA-LLVKDONJSA-N 1 3 270.377 -0.336 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000613662788 355902892 /nfs/dbraw/zinc/90/28/92/355902892.db2.gz GUQXECICJFMBGM-MCIONIFRSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)C(N)=O ZINC000617506936 356138985 /nfs/dbraw/zinc/13/89/85/356138985.db2.gz CSRVLSILQBGNDC-NSHDSACASA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)C(N)=O ZINC000617506936 356138988 /nfs/dbraw/zinc/13/89/88/356138988.db2.gz CSRVLSILQBGNDC-NSHDSACASA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000617504013 356139003 /nfs/dbraw/zinc/13/90/03/356139003.db2.gz FDTMABODHBWTHP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000617504013 356139008 /nfs/dbraw/zinc/13/90/08/356139008.db2.gz FDTMABODHBWTHP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cnnn1 ZINC000617503566 356139409 /nfs/dbraw/zinc/13/94/09/356139409.db2.gz OSDHJVCWTFIKIA-NSHDSACASA-N 1 3 283.380 -0.939 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cnnn1 ZINC000617503566 356139411 /nfs/dbraw/zinc/13/94/11/356139411.db2.gz OSDHJVCWTFIKIA-NSHDSACASA-N 1 3 283.380 -0.939 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COCCO1 ZINC000617504101 356139594 /nfs/dbraw/zinc/13/95/94/356139594.db2.gz HIAHZIAOZPKUBB-STQMWFEESA-N 1 3 287.404 -0.210 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COCCO1 ZINC000617504101 356139596 /nfs/dbraw/zinc/13/95/96/356139596.db2.gz HIAHZIAOZPKUBB-STQMWFEESA-N 1 3 287.404 -0.210 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000617502092 356139644 /nfs/dbraw/zinc/13/96/44/356139644.db2.gz BTOCCSSIVDHASM-RYUDHWBXSA-N 1 3 299.419 -0.602 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000617502092 356139646 /nfs/dbraw/zinc/13/96/46/356139646.db2.gz BTOCCSSIVDHASM-RYUDHWBXSA-N 1 3 299.419 -0.602 20 0 CBADHO CC1(OCC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CNC1 ZINC000621698851 356281731 /nfs/dbraw/zinc/28/17/31/356281731.db2.gz GYXFWYKHFWIBOG-ZWNOBZJWSA-N 1 3 253.346 -0.295 20 0 CBADHO CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000621624748 356278494 /nfs/dbraw/zinc/27/84/94/356278494.db2.gz WASYUAJZYYOIEN-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCOC1CNC1)C2 ZINC000621684511 356280643 /nfs/dbraw/zinc/28/06/43/356280643.db2.gz NKECBLQOSZFCIW-MFKMUULPSA-N 1 3 253.346 -0.295 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622003952 356298995 /nfs/dbraw/zinc/29/89/95/356298995.db2.gz IFMNFOWONKIANZ-VNHYZAJKSA-N 1 3 280.416 -0.003 20 0 CBADHO C[NH+](C)C1CC(NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000622009348 356299024 /nfs/dbraw/zinc/29/90/24/356299024.db2.gz SZAQAGAPCDXMPX-BPCQOVAHSA-N 1 3 266.389 -0.415 20 0 CBADHO CN1CC[C@@H]([NH2+]CCNS(C)(=O)=O)CC1(C)C ZINC000623379249 356362685 /nfs/dbraw/zinc/36/26/85/356362685.db2.gz FZRANHWLVRAUBH-SNVBAGLBSA-N 1 3 263.407 -0.002 20 0 CBADHO Nc1nc(N)nc(NCCC[NH2+]C2CCCCC2)n1 ZINC000623843694 356378549 /nfs/dbraw/zinc/37/85/49/356378549.db2.gz UNFMPJMEZCURRD-UHFFFAOYSA-N 1 3 265.365 -0.157 20 0 CBADHO CCN(CCNc1nc(N)[nH+]c(N)n1)CCC(F)(F)F ZINC000624157456 356400031 /nfs/dbraw/zinc/40/00/31/356400031.db2.gz LXOOGXYUGARWOU-UHFFFAOYSA-N 1 3 293.297 -0.195 20 0 CBADHO CC[NH+](CC)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624005362 356388061 /nfs/dbraw/zinc/38/80/61/356388061.db2.gz OUHZHZKANLSJHB-VIFPVBQESA-N 1 3 265.365 -0.135 20 0 CBADHO CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624014042 356388958 /nfs/dbraw/zinc/38/89/58/356388958.db2.gz PUPHLUYVZBDSCB-SNVBAGLBSA-N 1 3 295.391 -0.366 20 0 CBADHO Nc1nc(N)nc(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000624022515 356389508 /nfs/dbraw/zinc/38/95/08/356389508.db2.gz RQRGCLKJECGQLH-UHFFFAOYSA-N 1 3 277.376 -0.062 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024287 356390260 /nfs/dbraw/zinc/39/02/60/356390260.db2.gz CENMGEMHCIFOAI-YUMQZZPRSA-N 1 3 251.338 -0.527 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024287 356390261 /nfs/dbraw/zinc/39/02/61/356390261.db2.gz CENMGEMHCIFOAI-YUMQZZPRSA-N 1 3 251.338 -0.527 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624032598 356390949 /nfs/dbraw/zinc/39/09/49/356390949.db2.gz RTAMIJAGJKMXOH-SECBINFHSA-N 1 3 265.365 -0.492 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624032598 356390952 /nfs/dbraw/zinc/39/09/52/356390952.db2.gz RTAMIJAGJKMXOH-SECBINFHSA-N 1 3 265.365 -0.492 20 0 CBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050128 356391940 /nfs/dbraw/zinc/39/19/40/356391940.db2.gz ZLKOPOHPACYNAT-BDAKNGLRSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc(N)nc(N)n2)C1 ZINC000624050128 356391944 /nfs/dbraw/zinc/39/19/44/356391944.db2.gz ZLKOPOHPACYNAT-BDAKNGLRSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000624041343 356392742 /nfs/dbraw/zinc/39/27/42/356392742.db2.gz QVLGEOHPLKISNG-RKDXNWHRSA-N 1 3 263.349 -0.383 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000624041343 356392746 /nfs/dbraw/zinc/39/27/46/356392746.db2.gz QVLGEOHPLKISNG-RKDXNWHRSA-N 1 3 263.349 -0.383 20 0 CBADHO CC[N@@H+]1C[C@H](C)N(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624075551 356394856 /nfs/dbraw/zinc/39/48/56/356394856.db2.gz KVBNESSGOJIEIC-SFYZADRCSA-N 1 3 251.338 -0.384 20 0 CBADHO CC[N@H+]1C[C@H](C)N(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624075551 356394857 /nfs/dbraw/zinc/39/48/57/356394857.db2.gz KVBNESSGOJIEIC-SFYZADRCSA-N 1 3 251.338 -0.384 20 0 CBADHO CC[N@@H+]1C[C@H](C)N(c2nc(N)nc(N)n2)C[C@@H]1C ZINC000624075552 356395322 /nfs/dbraw/zinc/39/53/22/356395322.db2.gz KVBNESSGOJIEIC-YUMQZZPRSA-N 1 3 251.338 -0.384 20 0 CBADHO CC[N@H+]1C[C@H](C)N(c2nc(N)nc(N)n2)C[C@@H]1C ZINC000624075552 356395326 /nfs/dbraw/zinc/39/53/26/356395326.db2.gz KVBNESSGOJIEIC-YUMQZZPRSA-N 1 3 251.338 -0.384 20 0 CBADHO CC(C)(CNc1nc(N)nc(N)n1)C[NH+]1CCCC1 ZINC000624154999 356399493 /nfs/dbraw/zinc/39/94/93/356399493.db2.gz CFAWRTGIPAOXKE-UHFFFAOYSA-N 1 3 265.365 -0.347 20 0 CBADHO C[N@@H+]1CCCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624536774 356425512 /nfs/dbraw/zinc/42/55/12/356425512.db2.gz BWDUBWVZOHMNDB-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO C[N@H+]1CCCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624536774 356425517 /nfs/dbraw/zinc/42/55/17/356425517.db2.gz BWDUBWVZOHMNDB-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO Nc1nc(N)nc(NCCCCC[NH+]2CCCC2)n1 ZINC000624246614 356406154 /nfs/dbraw/zinc/40/61/54/356406154.db2.gz VRBSDMYYZWKOGB-UHFFFAOYSA-N 1 3 265.365 -0.203 20 0 CBADHO CN(CCOCC[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000626978906 356562424 /nfs/dbraw/zinc/56/24/24/356562424.db2.gz MQDDCRMJXWEOOO-NSHDSACASA-N 1 3 270.377 -0.160 20 0 CBADHO CN(CCOCC[NH3+])C(=O)NC1CCN(C)CC1 ZINC000626922174 356556152 /nfs/dbraw/zinc/55/61/52/356556152.db2.gz VSXMUAWHMQRLJP-UHFFFAOYSA-N 1 3 258.366 -0.303 20 0 CBADHO CCN(CC[NH3+])C(=O)NCCCN(C)CCOC ZINC000626939206 356558124 /nfs/dbraw/zinc/55/81/24/356558124.db2.gz VUSCWIJKCSJVDL-UHFFFAOYSA-N 1 3 260.382 -0.055 20 0 CBADHO CN1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000627028375 356569190 /nfs/dbraw/zinc/56/91/90/356569190.db2.gz JJKQKYVGCSWLIG-GFCCVEGCSA-N 1 3 283.420 -0.327 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626982612 356563389 /nfs/dbraw/zinc/56/33/89/356563389.db2.gz NGCSDMCVRBJHNA-LBPRGKRZSA-N 1 3 288.392 -0.628 20 0 CBADHO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)CN1CCN(C)CC1 ZINC000626987151 356563666 /nfs/dbraw/zinc/56/36/66/356563666.db2.gz YXGBUOBZBDQVJT-MELADBBJSA-N 1 3 297.447 -0.081 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000627171212 356593363 /nfs/dbraw/zinc/59/33/63/356593363.db2.gz RLNSBQHZNOULAH-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000627102804 356583319 /nfs/dbraw/zinc/58/33/19/356583319.db2.gz UMJHHHIGZMQZJW-GARJFASQSA-N 1 3 256.350 -0.586 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[NH2+]1 ZINC000627118024 356587066 /nfs/dbraw/zinc/58/70/66/356587066.db2.gz NEOOQWTUMVURQR-IUCAKERBSA-N 1 3 294.359 -0.419 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000627242467 356610675 /nfs/dbraw/zinc/61/06/75/356610675.db2.gz RINCEOCCKIXXEB-HOSYDEDBSA-N 1 3 256.350 -0.897 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627380276 356635855 /nfs/dbraw/zinc/63/58/55/356635855.db2.gz MKDGBNHDCLWVHQ-NEPJUHHUSA-N 1 3 280.372 -0.935 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000627365405 356633485 /nfs/dbraw/zinc/63/34/85/356633485.db2.gz NWLPAHHAHBCSAB-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000627365406 356633511 /nfs/dbraw/zinc/63/35/11/356633511.db2.gz NWLPAHHAHBCSAB-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000627372480 356635129 /nfs/dbraw/zinc/63/51/29/356635129.db2.gz NCQWWBQFKPFYLL-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627291070 356620905 /nfs/dbraw/zinc/62/09/05/356620905.db2.gz JMGUDLDLABAJHE-GFCCVEGCSA-N 1 3 294.399 -0.402 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627293194 356620920 /nfs/dbraw/zinc/62/09/20/356620920.db2.gz NJQZQEYVLGNVJD-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000627304628 356622745 /nfs/dbraw/zinc/62/27/45/356622745.db2.gz AKEPSIGKPVDQJJ-ZDEQEGDKSA-N 1 3 296.415 -0.158 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000627325319 356625691 /nfs/dbraw/zinc/62/56/91/356625691.db2.gz FQHYWTMFWCOKDX-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627389732 356637014 /nfs/dbraw/zinc/63/70/14/356637014.db2.gz NPUDSDQDEQBODO-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627389730 356637441 /nfs/dbraw/zinc/63/74/41/356637441.db2.gz NPUDSDQDEQBODO-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000627506347 356660837 /nfs/dbraw/zinc/66/08/37/356660837.db2.gz LVAULISYTBEONA-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C[NH2+]1 ZINC000627476708 356653143 /nfs/dbraw/zinc/65/31/43/356653143.db2.gz JYVNWWKDGXMRCF-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[NH2+]1 ZINC000627477063 356653154 /nfs/dbraw/zinc/65/31/54/356653154.db2.gz QOBQURFBEUCBMM-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000627503876 356659788 /nfs/dbraw/zinc/65/97/88/356659788.db2.gz HICQLBWHNLMLKO-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000627503462 356659802 /nfs/dbraw/zinc/65/98/02/356659802.db2.gz NPDIMFTUEFLBOR-SDDRHHMPSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000629615190 356787935 /nfs/dbraw/zinc/78/79/35/356787935.db2.gz SGAFKGJNEJHBAV-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCCN(C(=O)CN)C1 ZINC000629652674 356788957 /nfs/dbraw/zinc/78/89/57/356788957.db2.gz BXCPYLYIVDFOQQ-FRRDWIJNSA-N 1 3 268.405 -0.086 20 0 CBADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CN1 ZINC000629660332 356789086 /nfs/dbraw/zinc/78/90/86/356789086.db2.gz RWEATNOJVIGUJN-AGIUHOORSA-N 1 3 268.405 -0.086 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000629799489 356794984 /nfs/dbraw/zinc/79/49/84/356794984.db2.gz HNGBRIPIHSNFLM-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000629799489 356794988 /nfs/dbraw/zinc/79/49/88/356794988.db2.gz HNGBRIPIHSNFLM-CHWSQXEVSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000629812925 356798008 /nfs/dbraw/zinc/79/80/08/356798008.db2.gz XQBYNJDKUWPYME-CQSZACIVSA-N 1 3 282.388 -0.652 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000629812925 356798009 /nfs/dbraw/zinc/79/80/09/356798009.db2.gz XQBYNJDKUWPYME-CQSZACIVSA-N 1 3 282.388 -0.652 20 0 CBADHO CCN1CCC(NC(=O)CN(C)CCOCC[NH3+])CC1 ZINC000629577946 356782275 /nfs/dbraw/zinc/78/22/75/356782275.db2.gz LYTBPMKSDVIPIP-UHFFFAOYSA-N 1 3 286.420 -0.506 20 0 CBADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582276 356782467 /nfs/dbraw/zinc/78/24/67/356782467.db2.gz QVUOQMIDNCDDGI-OUAUKWLOSA-N 1 3 253.346 -0.297 20 0 CBADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582276 356782469 /nfs/dbraw/zinc/78/24/69/356782469.db2.gz QVUOQMIDNCDDGI-OUAUKWLOSA-N 1 3 253.346 -0.297 20 0 CBADHO CN(CCOCC[NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000629580690 356782515 /nfs/dbraw/zinc/78/25/15/356782515.db2.gz DOZBWFVDTLKFKW-BETUJISGSA-N 1 3 257.378 -0.243 20 0 CBADHO OCCN1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629585036 356784055 /nfs/dbraw/zinc/78/40/55/356784055.db2.gz YKCIRKOJKCHCDY-HUUCEWRRSA-N 1 3 285.432 -0.121 20 0 CBADHO OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629585036 356784060 /nfs/dbraw/zinc/78/40/60/356784060.db2.gz YKCIRKOJKCHCDY-HUUCEWRRSA-N 1 3 285.432 -0.121 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)[C@@H]1CCCO1)CN1CCCC1 ZINC000629590338 356784094 /nfs/dbraw/zinc/78/40/94/356784094.db2.gz VGBLKUOCFVVYKC-AGIUHOORSA-N 1 3 258.362 -0.427 20 0 CBADHO OCC[C@]1(CNC[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000629583743 356784252 /nfs/dbraw/zinc/78/42/52/356784252.db2.gz DNUHQFDLDMDPHQ-UONOGXRCSA-N 1 3 272.389 -0.178 20 0 CBADHO OC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000629598100 356785096 /nfs/dbraw/zinc/78/50/96/356785096.db2.gz WBMZACILBIDCTC-MCIONIFRSA-N 1 3 272.389 -0.180 20 0 CBADHO CO[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)[C@](C)(C[NH3+])C1 ZINC000630365419 356838723 /nfs/dbraw/zinc/83/87/23/356838723.db2.gz HVRABPORTCOKDV-AGIUHOORSA-N 1 3 269.389 -0.055 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000631901365 356917775 /nfs/dbraw/zinc/91/77/75/356917775.db2.gz AFAZPFPCIRINOK-NSHDSACASA-N 1 3 263.407 -0.143 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000631902602 356918619 /nfs/dbraw/zinc/91/86/19/356918619.db2.gz MNRYIDDYTPQDGX-NSHDSACASA-N 1 3 263.407 0.000 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)CCCN(C)C)CC[C@H]1[NH3+] ZINC000631905534 356920455 /nfs/dbraw/zinc/92/04/55/356920455.db2.gz PGZCDGZQTMWFAG-GHMZBOCLSA-N 1 3 263.407 -0.063 20 0 CBADHO [NH3+][C@H]1C[C@H](NS(=O)(=O)CCCN2CCCC2)C1 ZINC000631931544 356924926 /nfs/dbraw/zinc/92/49/26/356924926.db2.gz KYKFKSPIIUWQCF-XYPYZODXSA-N 1 3 261.391 -0.119 20 0 CBADHO C[C@@H](C[NH3+])CNS(=O)(=O)CCCN1CCCC1 ZINC000631931979 356925149 /nfs/dbraw/zinc/92/51/49/356925149.db2.gz PFWNAWGCGXXUQL-NSHDSACASA-N 1 3 263.407 -0.014 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631931581 356925520 /nfs/dbraw/zinc/92/55/20/356925520.db2.gz LIEUWGRRJNESPZ-MNOVXSKESA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CCCN(C)C ZINC000631935091 356927203 /nfs/dbraw/zinc/92/72/03/356927203.db2.gz PNSFWGSUDNQXCW-QWRGUYRKSA-N 1 3 263.407 -0.145 20 0 CBADHO C[C@@H]1CC[C@@H](NS(=O)(=O)CCCN(C)C)C[NH2+]1 ZINC000631955241 356934756 /nfs/dbraw/zinc/93/47/56/356934756.db2.gz GYPMEDPZUPGPDH-GHMZBOCLSA-N 1 3 263.407 -0.002 20 0 CBADHO C[C@@H]1CC[C@H](NS(=O)(=O)CCCN(C)C)C[NH2+]1 ZINC000631955242 356934994 /nfs/dbraw/zinc/93/49/94/356934994.db2.gz GYPMEDPZUPGPDH-MNOVXSKESA-N 1 3 263.407 -0.002 20 0 CBADHO CN(C)CCCS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000632136355 356954088 /nfs/dbraw/zinc/95/40/88/356954088.db2.gz OBQQMDPYWAPQSD-LLVKDONJSA-N 1 3 281.422 -0.830 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633072139 357039602 /nfs/dbraw/zinc/03/96/02/357039602.db2.gz MJDXHAOBIDLTAK-LBPRGKRZSA-N 1 3 283.376 -0.903 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633087427 357042512 /nfs/dbraw/zinc/04/25/12/357042512.db2.gz KAKYKHNSLFRJIJ-FRRDWIJNSA-N 1 3 294.399 -0.498 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000633117995 357050108 /nfs/dbraw/zinc/05/01/08/357050108.db2.gz HEBFYGFMVRZXEQ-FIQHERPVSA-N 1 3 280.372 -0.903 20 0 CBADHO CN1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](CN)C1 ZINC000634272319 357113655 /nfs/dbraw/zinc/11/36/55/357113655.db2.gz ZWBFMWPLPQGJHQ-NWDGAFQWSA-N 1 3 269.393 -0.587 20 0 CBADHO COCCNCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270600 357113832 /nfs/dbraw/zinc/11/38/32/357113832.db2.gz OPXYXJGLQHGMCI-NSHDSACASA-N 1 3 258.366 -0.336 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]1NCCCN1CCCS1(=O)=O ZINC000635005213 357142531 /nfs/dbraw/zinc/14/25/31/357142531.db2.gz SNAMRVGHYBOOLI-GHMZBOCLSA-N 1 3 261.391 -0.119 20 0 CBADHO C[N@@H+]1CCC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636624530 357294313 /nfs/dbraw/zinc/29/43/13/357294313.db2.gz VWGRJRAUZTUXGJ-RYUDHWBXSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636624530 357294315 /nfs/dbraw/zinc/29/43/15/357294315.db2.gz VWGRJRAUZTUXGJ-RYUDHWBXSA-N 1 3 270.377 -0.554 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636075763 357260897 /nfs/dbraw/zinc/26/08/97/357260897.db2.gz DCXWOSQRRGKITE-QWHCGFSZSA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636075763 357260900 /nfs/dbraw/zinc/26/09/00/357260900.db2.gz DCXWOSQRRGKITE-QWHCGFSZSA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636075762 357261289 /nfs/dbraw/zinc/26/12/89/357261289.db2.gz DCXWOSQRRGKITE-OLZOCXBDSA-N 1 3 296.415 -0.093 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636075762 357261292 /nfs/dbraw/zinc/26/12/92/357261292.db2.gz DCXWOSQRRGKITE-OLZOCXBDSA-N 1 3 296.415 -0.093 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636181466 357269624 /nfs/dbraw/zinc/26/96/24/357269624.db2.gz DEJBLLZDTOWSEH-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636181466 357269629 /nfs/dbraw/zinc/26/96/29/357269629.db2.gz DEJBLLZDTOWSEH-ZDUSSCGKSA-N 1 3 298.431 -0.193 20 0 CBADHO C[NH2+]CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637825095 357371622 /nfs/dbraw/zinc/37/16/22/357371622.db2.gz VIZXIRPANJMDPD-CYBMUJFWSA-N 1 3 264.373 -0.219 20 0 CBADHO CN(C(=O)[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000637837327 357373758 /nfs/dbraw/zinc/37/37/58/357373758.db2.gz DIBHPZLUNYKSQP-UTUOFQBUSA-N 1 3 253.346 -0.330 20 0 CBADHO N[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000637833616 357374224 /nfs/dbraw/zinc/37/42/24/357374224.db2.gz UVTLZPMAGOOLJQ-ZDUSSCGKSA-N 1 3 262.357 -0.292 20 0 CBADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923888 357312464 /nfs/dbraw/zinc/31/24/64/357312464.db2.gz ZUEWBNAACWXYMG-UBHSHLNASA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000636923888 357312466 /nfs/dbraw/zinc/31/24/66/357312466.db2.gz ZUEWBNAACWXYMG-UBHSHLNASA-N 1 3 296.415 -0.165 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000637840333 357375056 /nfs/dbraw/zinc/37/50/56/357375056.db2.gz FTNKCTYFIMFPJM-JTQLQIEISA-N 1 3 253.350 -0.136 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000637840979 357375111 /nfs/dbraw/zinc/37/51/11/357375111.db2.gz QMXSDGPECLPJNH-SRRSOLGSSA-N 1 3 255.362 -0.038 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[NH2+]C1CC1 ZINC000637306702 357339275 /nfs/dbraw/zinc/33/92/75/357339275.db2.gz JZWCASMZNVXUNY-UHFFFAOYSA-N 1 3 258.366 -0.648 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@H]1CCCN1CCCO ZINC000637347600 357339314 /nfs/dbraw/zinc/33/93/14/357339314.db2.gz IAYYQVPSHKIQNJ-CYBMUJFWSA-N 1 3 284.404 -0.116 20 0 CBADHO COC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCCCN1 ZINC000637799001 357365401 /nfs/dbraw/zinc/36/54/01/357365401.db2.gz SKWVVHHEUPYBGC-HNNXBMFYSA-N 1 3 298.431 -0.443 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)CCN(C)CCOCCOC)C1 ZINC000637801428 357366897 /nfs/dbraw/zinc/36/68/97/357366897.db2.gz KBIKHXCRKZLZCO-ZDUSSCGKSA-N 1 3 287.404 -0.208 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000637801741 357367077 /nfs/dbraw/zinc/36/70/77/357367077.db2.gz MVTINMFEOSDVLO-GFCCVEGCSA-N 1 3 265.361 -0.121 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000637805690 357367510 /nfs/dbraw/zinc/36/75/10/357367510.db2.gz COFHQMBGMKMQOW-OLZOCXBDSA-N 1 3 278.356 -0.206 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CCN(C)CC2)C1 ZINC000638049885 357405916 /nfs/dbraw/zinc/40/59/16/357405916.db2.gz HVMGNTDPXYCLCL-YPMHNXCESA-N 1 3 255.362 -0.036 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000638070642 357409404 /nfs/dbraw/zinc/40/94/04/357409404.db2.gz TUEZJVVSYZFACH-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H]1CCCCN1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638071036 357409989 /nfs/dbraw/zinc/40/99/89/357409989.db2.gz ZAKDKZJTSPCLJG-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000638077363 357412204 /nfs/dbraw/zinc/41/22/04/357412204.db2.gz RRFNEXPLKSGVJO-GMXVVIOVSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638078935 357412680 /nfs/dbraw/zinc/41/26/80/357412680.db2.gz OMYCIEXETRJAKB-SDDRHHMPSA-N 1 3 255.362 -0.051 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638078935 357412682 /nfs/dbraw/zinc/41/26/82/357412682.db2.gz OMYCIEXETRJAKB-SDDRHHMPSA-N 1 3 255.362 -0.051 20 0 CBADHO CN(CCNC(=O)[C@@]1(C[NH3+])CCCOC1)C1CC1 ZINC000638085319 357412941 /nfs/dbraw/zinc/41/29/41/357412941.db2.gz XSYWGSIYWMOTQS-CYBMUJFWSA-N 1 3 255.362 -0.048 20 0 CBADHO CN(C)CCn1cc(NC(=O)CN2CC[NH2+]CC2)cn1 ZINC000638089463 357413583 /nfs/dbraw/zinc/41/35/83/357413583.db2.gz AGVJPWRMUZQBRT-UHFFFAOYSA-N 1 3 280.376 -0.712 20 0 CBADHO CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000638099639 357417264 /nfs/dbraw/zinc/41/72/64/357417264.db2.gz IGWJDRCEIPWORH-CYBMUJFWSA-N 1 3 266.389 -0.413 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CN2CCNCC2)C1 ZINC000638112854 357420524 /nfs/dbraw/zinc/42/05/24/357420524.db2.gz VWBWPHWSOAVWTQ-CQSZACIVSA-N 1 3 282.432 -0.014 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)CN2CCNCC2)C1 ZINC000638112854 357420529 /nfs/dbraw/zinc/42/05/29/357420529.db2.gz VWBWPHWSOAVWTQ-CQSZACIVSA-N 1 3 282.432 -0.014 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CCN1C ZINC000638124315 357421492 /nfs/dbraw/zinc/42/14/92/357421492.db2.gz SKXFZUJCGTWOOW-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO C[C@@H](NC(=O)CN1CCNCC1)C(C)(C)C[NH+](C)C ZINC000638126422 357423428 /nfs/dbraw/zinc/42/34/28/357423428.db2.gz MSTZCUJRVZKODC-GFCCVEGCSA-N 1 3 270.421 -0.016 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638137044 357424242 /nfs/dbraw/zinc/42/42/42/357424242.db2.gz FCUIHHVHAQSNEP-FRRDWIJNSA-N 1 3 284.404 -0.755 20 0 CBADHO CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638137000 357424516 /nfs/dbraw/zinc/42/45/16/357424516.db2.gz QFLURVNIHLRYCK-HIFRSBDPSA-N 1 3 298.431 -0.493 20 0 CBADHO O=C(CN1CCNCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638141095 357424745 /nfs/dbraw/zinc/42/47/45/357424745.db2.gz GRJHWFYIVIPLCM-LBPRGKRZSA-N 1 3 252.362 -0.756 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000638151879 357426386 /nfs/dbraw/zinc/42/63/86/357426386.db2.gz GGIUTEXRVSTDFA-NWDGAFQWSA-N 1 3 271.361 -0.798 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)c1cnn(CCN(C)C)c1 ZINC000638152720 357427152 /nfs/dbraw/zinc/42/71/52/357427152.db2.gz BKYRXACWJGQELY-JTQLQIEISA-N 1 3 253.350 -0.088 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cn1 ZINC000638153382 357427198 /nfs/dbraw/zinc/42/71/98/357427198.db2.gz IODGSAUUYFFSQO-GFCCVEGCSA-N 1 3 265.361 -0.088 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638153003 357427576 /nfs/dbraw/zinc/42/75/76/357427576.db2.gz MYYSBEVZXOSCGT-ZDUSSCGKSA-N 1 3 273.377 -0.503 20 0 CBADHO COC[C@@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000638164023 357428896 /nfs/dbraw/zinc/42/88/96/357428896.db2.gz FYHKUOBALNBVQO-DGCLKSJQSA-N 1 3 255.362 -0.129 20 0 CBADHO COC[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCCN1 ZINC000638173119 357431299 /nfs/dbraw/zinc/43/12/99/357431299.db2.gz SYIHSGCIYQZEPL-AAEUAGOBSA-N 1 3 271.361 -0.669 20 0 CBADHO COC[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCN1 ZINC000638244683 357443317 /nfs/dbraw/zinc/44/33/17/357443317.db2.gz KFJDHBWVEUMCBP-MPPDQPJWSA-N 1 3 253.346 -0.521 20 0 CBADHO COC[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCCN1 ZINC000638213380 357435462 /nfs/dbraw/zinc/43/54/62/357435462.db2.gz IXCOXRGINKWTOS-MBNYWOFBSA-N 1 3 267.373 -0.177 20 0 CBADHO CC(C)CC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637864157 357378625 /nfs/dbraw/zinc/37/86/25/357378625.db2.gz NTQKNYHRHXMLBR-NWDGAFQWSA-N 1 3 256.394 -0.149 20 0 CBADHO CN1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CN)C1 ZINC000637866331 357379456 /nfs/dbraw/zinc/37/94/56/357379456.db2.gz KNWOFEVTEJIVKD-LLVKDONJSA-N 1 3 254.378 -0.571 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cnn(CCN(C)C)c2)CCO1 ZINC000637865462 357379459 /nfs/dbraw/zinc/37/94/59/357379459.db2.gz FNTXYYGJOBIDRO-WCQYABFASA-N 1 3 295.387 -0.367 20 0 CBADHO CN(C)CCn1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cn1 ZINC000637864163 357379510 /nfs/dbraw/zinc/37/95/10/357379510.db2.gz NXRWKANHCTUFFC-ZDUSSCGKSA-N 1 3 294.403 -0.840 20 0 CBADHO CN1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](CN)C1 ZINC000637866332 357379534 /nfs/dbraw/zinc/37/95/34/357379534.db2.gz KNWOFEVTEJIVKD-NSHDSACASA-N 1 3 254.378 -0.571 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000638579349 357497869 /nfs/dbraw/zinc/49/78/69/357497869.db2.gz OZGMYTKCZWELGJ-LALPHHSUSA-N 1 3 299.415 -0.129 20 0 CBADHO [NH3+]CC[C@H](NC(=O)CN1CCNCC1)C(F)(F)F ZINC000638267018 357446329 /nfs/dbraw/zinc/44/63/29/357446329.db2.gz LUGLXLDLGFKTLD-QMMMGPOBSA-N 1 3 268.283 -0.713 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCNC(C)(C)C2)C1 ZINC000638270291 357447359 /nfs/dbraw/zinc/44/73/59/357447359.db2.gz GIPHYZPSMONCKG-MFKMUULPSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(C)CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCN1 ZINC000638269798 357447378 /nfs/dbraw/zinc/44/73/78/357447378.db2.gz AMFMXLKGPKOPHP-ZDUSSCGKSA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)CN2CCNCC2)CC1 ZINC000638286263 357451575 /nfs/dbraw/zinc/45/15/75/357451575.db2.gz OSSBNJVBFNXIEH-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638304922 357454628 /nfs/dbraw/zinc/45/46/28/357454628.db2.gz WMCAUVFHTPKNIR-UHFFFAOYSA-N 1 3 254.378 -0.556 20 0 CBADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1CNCCO1 ZINC000638337779 357459631 /nfs/dbraw/zinc/45/96/31/357459631.db2.gz JWERKBPJLBMFSF-CQSZACIVSA-N 1 3 289.379 -0.021 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)CN2CCNCC2)C[C@H]1C[NH3+] ZINC000638356755 357462658 /nfs/dbraw/zinc/46/26/58/357462658.db2.gz GLROTWNVVIVWJM-FRRDWIJNSA-N 1 3 268.405 -0.277 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)CN2CCNCC2)C[C@@H]1C[NH3+] ZINC000638356754 357462791 /nfs/dbraw/zinc/46/27/91/357462791.db2.gz GLROTWNVVIVWJM-AGIUHOORSA-N 1 3 268.405 -0.277 20 0 CBADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638363144 357462868 /nfs/dbraw/zinc/46/28/68/357462868.db2.gz JFLIDHPERANTSA-NSHDSACASA-N 1 3 293.419 -0.583 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(C)CNCCO1 ZINC000638409169 357470291 /nfs/dbraw/zinc/47/02/91/357470291.db2.gz MUYJTEYUADGWTK-AWEZNQCLSA-N 1 3 286.420 -0.635 20 0 CBADHO [NH3+]CC1(NC(=O)C[C@H]2CSCCN2)CCOCC1 ZINC000638634648 357513691 /nfs/dbraw/zinc/51/36/91/357513691.db2.gz SYALHIUVZLCIBG-JTQLQIEISA-N 1 3 273.402 -0.294 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643097 357514571 /nfs/dbraw/zinc/51/45/71/357514571.db2.gz KOWKUCCUDYPPNP-FOGDFJRCSA-N 1 3 270.377 -0.657 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[NH2+]1 ZINC000638641637 357514840 /nfs/dbraw/zinc/51/48/40/357514840.db2.gz GDZCDAWONYHGNM-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C)CCn1cc(C(=O)NCCOCCC[NH3+])cn1 ZINC000638663719 357518240 /nfs/dbraw/zinc/51/82/40/357518240.db2.gz IMLRAIWJSCIACG-UHFFFAOYSA-N 1 3 283.376 -0.460 20 0 CBADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638672667 357518758 /nfs/dbraw/zinc/51/87/58/357518758.db2.gz XKYQKSRKFJGKEK-VXGBXAGGSA-N 1 3 277.324 -0.170 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674318 357519291 /nfs/dbraw/zinc/51/92/91/357519291.db2.gz IDDJBAVIHQUGRZ-SMDDNHRTSA-N 1 3 287.404 -0.047 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000638781147 357528255 /nfs/dbraw/zinc/52/82/55/357528255.db2.gz WKTMAENZSUGOHM-QWHCGFSZSA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000638938033 357546167 /nfs/dbraw/zinc/54/61/67/357546167.db2.gz VYZRFGRBXLYLLC-WOPDTQHZSA-N 1 3 282.388 -0.655 20 0 CBADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1CNCCO1 ZINC000638984601 357549179 /nfs/dbraw/zinc/54/91/79/357549179.db2.gz OKWCWMQMDYBHDP-GFCCVEGCSA-N 1 3 291.355 -0.582 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043658 357555799 /nfs/dbraw/zinc/55/57/99/357555799.db2.gz YCZKRIVMQSJNHW-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+]1CCC2(CCN(CCNS(C)(=O)=O)C2)CC1 ZINC000639757051 357594213 /nfs/dbraw/zinc/59/42/13/357594213.db2.gz CRIAOWRIRINATH-UHFFFAOYSA-N 1 3 275.418 -0.047 20 0 CBADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841665 357603088 /nfs/dbraw/zinc/60/30/88/357603088.db2.gz XLWXCELRGYFZDL-UTUOFQBUSA-N 1 3 282.388 -0.621 20 0 CBADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639841665 357603095 /nfs/dbraw/zinc/60/30/95/357603095.db2.gz XLWXCELRGYFZDL-UTUOFQBUSA-N 1 3 282.388 -0.621 20 0 CBADHO CN1CCN(C(=O)CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641800848 357743375 /nfs/dbraw/zinc/74/33/75/357743375.db2.gz HEINCJWLTGMRBS-VXGBXAGGSA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H](N)C2(C)C)CC1 ZINC000641800848 357743377 /nfs/dbraw/zinc/74/33/77/357743377.db2.gz HEINCJWLTGMRBS-VXGBXAGGSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642330411 357753180 /nfs/dbraw/zinc/75/31/80/357753180.db2.gz GHRZFRIDMJURJN-FVCCEPFGSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000642439316 357754191 /nfs/dbraw/zinc/75/41/91/357754191.db2.gz BHDSELJRCGFZSJ-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000642439318 357754536 /nfs/dbraw/zinc/75/45/36/357754536.db2.gz BHDSELJRCGFZSJ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642439938 357755421 /nfs/dbraw/zinc/75/54/21/357755421.db2.gz SIBRXZKRYVRAPY-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000642439531 357755685 /nfs/dbraw/zinc/75/56/85/357755685.db2.gz KYPIPZUOVIINMT-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000642439664 357755711 /nfs/dbraw/zinc/75/57/11/357755711.db2.gz NCUWNCSOBUAAQO-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N(C)C1CC1 ZINC000642773303 357760940 /nfs/dbraw/zinc/76/09/40/357760940.db2.gz LRGJDVQIOKZMKS-JTQLQIEISA-N 1 3 282.388 -0.547 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1 ZINC000642785742 357761976 /nfs/dbraw/zinc/76/19/76/357761976.db2.gz GRVXFWOTUSFVJM-GFCCVEGCSA-N 1 3 294.399 -0.416 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1[NH3+] ZINC000642785631 357762090 /nfs/dbraw/zinc/76/20/90/357762090.db2.gz AFGSBUURASPMGR-RAIGVLPGSA-N 1 3 294.399 -0.608 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785776 357762697 /nfs/dbraw/zinc/76/26/97/357762697.db2.gz JGRVXPLJQDUFBH-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000642809770 357763631 /nfs/dbraw/zinc/76/36/31/357763631.db2.gz OUAWDVMRZUTQAU-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000642809771 357763900 /nfs/dbraw/zinc/76/39/00/357763900.db2.gz OUAWDVMRZUTQAU-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904540 357766231 /nfs/dbraw/zinc/76/62/31/357766231.db2.gz YNMFRVGYPIOQOP-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642907845 357766369 /nfs/dbraw/zinc/76/63/69/357766369.db2.gz IEYICGRGASGCHN-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642909219 357767429 /nfs/dbraw/zinc/76/74/29/357767429.db2.gz IMMDOORIXYAJBT-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642909757 357767732 /nfs/dbraw/zinc/76/77/32/357767732.db2.gz STIAIBHUFBBNIS-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642909220 357767753 /nfs/dbraw/zinc/76/77/53/357767753.db2.gz IMMDOORIXYAJBT-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000642924610 357771137 /nfs/dbraw/zinc/77/11/37/357771137.db2.gz UYAAAWHXMXVFET-SNVBAGLBSA-N 1 3 268.361 -0.937 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643471904 357784186 /nfs/dbraw/zinc/78/41/86/357784186.db2.gz PEKYGBXBDLMMQD-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000643471886 357784420 /nfs/dbraw/zinc/78/44/20/357784420.db2.gz NWWQRSBXMHBTND-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000643504191 357786149 /nfs/dbraw/zinc/78/61/49/357786149.db2.gz UAUPDAUCLBJVSG-QWHCGFSZSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1N(C)C ZINC000643520723 357786933 /nfs/dbraw/zinc/78/69/33/357786933.db2.gz GPRPATQBMCTRAH-FVCCEPFGSA-N 1 3 294.399 -0.927 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423232876 283520670 /nfs/dbraw/zinc/52/06/70/283520670.db2.gz IXYHXVJXGSVRMA-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO C[C@@H]([NH3+])CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000515060624 296020113 /nfs/dbraw/zinc/02/01/13/296020113.db2.gz VZHTXNHXOSTHNZ-VXGBXAGGSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)CCC[NH+](C)C)CC1=O ZINC000538314524 283677024 /nfs/dbraw/zinc/67/70/24/283677024.db2.gz JYJFSUWMAXSOEE-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000220332328 296064007 /nfs/dbraw/zinc/06/40/07/296064007.db2.gz CJKWUIOLBDGFKV-UPJWGTAASA-N 1 3 267.373 -0.204 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011489 /nfs/dbraw/zinc/01/14/89/335011489.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 1 3 285.432 -0.049 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011490 /nfs/dbraw/zinc/01/14/90/335011490.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 1 3 285.432 -0.049 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331665408 204056373 /nfs/dbraw/zinc/05/63/73/204056373.db2.gz QXAFOYUHQWYAPQ-UPJWGTAASA-N 1 3 294.399 -0.450 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCC1 ZINC000331824924 204207419 /nfs/dbraw/zinc/20/74/19/204207419.db2.gz CLSUGWZWLZZARR-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000344048786 217027606 /nfs/dbraw/zinc/02/76/06/217027606.db2.gz NWGZVYKFYGBKJW-QWHCGFSZSA-N 1 3 296.415 -0.536 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000344048786 217027609 /nfs/dbraw/zinc/02/76/09/217027609.db2.gz NWGZVYKFYGBKJW-QWHCGFSZSA-N 1 3 296.415 -0.536 20 0 CBADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000344303842 217141792 /nfs/dbraw/zinc/14/17/92/217141792.db2.gz CMOZOPWLCUBHFD-HOTGVXAUSA-N 1 3 298.475 -0.084 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132206 205056129 /nfs/dbraw/zinc/05/61/29/205056129.db2.gz BWKQDYMDSGSMQF-OCCSQVGLSA-N 1 3 295.431 -0.327 20 0 CBADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000158207304 372811852 /nfs/dbraw/zinc/81/18/52/372811852.db2.gz WPJFPYYDXSUODB-DOMZBBRYSA-N 1 3 298.431 -0.114 20 0 CBADHO [NH3+]C[C@@H](NC(=O)N1CCOC2(CNC2)C1)C1CCCC1 ZINC000333192170 205104441 /nfs/dbraw/zinc/10/44/41/205104441.db2.gz ACNRTCPDUVKEQC-GFCCVEGCSA-N 1 3 282.388 -0.112 20 0 CBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000353449618 220088968 /nfs/dbraw/zinc/08/89/68/220088968.db2.gz NVXPTIPMXBBLLD-CHWSQXEVSA-N 1 3 287.404 -0.081 20 0 CBADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000187193189 372850079 /nfs/dbraw/zinc/85/00/79/372850079.db2.gz FQQLVIBPVKWVSW-MNOVXSKESA-N 1 3 263.407 -0.145 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471695 372878535 /nfs/dbraw/zinc/87/85/35/372878535.db2.gz QDKZPOGPGPLFGO-HBNTYKKESA-N 1 3 268.361 -0.109 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)NCCN1CC[NH2+]CC1 ZINC000333282520 205182675 /nfs/dbraw/zinc/18/26/75/205182675.db2.gz MSQZJMUIPWPHCW-ZDUSSCGKSA-N 1 3 283.420 -0.373 20 0 CBADHO CNC(=O)CCN(C)C/C=C\C[N@H+](C)CCC(=O)NC ZINC000255492875 372901915 /nfs/dbraw/zinc/90/19/15/372901915.db2.gz BMFXYVFZKQXJTP-WAYWQWQTSA-N 1 3 284.404 -0.322 20 0 CBADHO CNC(=O)CCN(C)C/C=C\C[N@@H+](C)CCC(=O)NC ZINC000255492875 372901922 /nfs/dbraw/zinc/90/19/22/372901922.db2.gz BMFXYVFZKQXJTP-WAYWQWQTSA-N 1 3 284.404 -0.322 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333297351 205195976 /nfs/dbraw/zinc/19/59/76/205195976.db2.gz ILYDWXFBNQRNLH-AGIUHOORSA-N 1 3 284.404 -0.165 20 0 CBADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)NC(N)=O)C2)C1 ZINC000331523543 372996100 /nfs/dbraw/zinc/99/61/00/372996100.db2.gz CPZHQAHVYYNYFG-CYBMUJFWSA-N 1 3 268.361 -0.011 20 0 CBADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)NC(N)=O)C2)C1 ZINC000331523543 372996105 /nfs/dbraw/zinc/99/61/05/372996105.db2.gz CPZHQAHVYYNYFG-CYBMUJFWSA-N 1 3 268.361 -0.011 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342375002 373046107 /nfs/dbraw/zinc/04/61/07/373046107.db2.gz OFICRJFOHLLHPJ-VXGBXAGGSA-N 1 3 257.378 -0.122 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342375002 373046114 /nfs/dbraw/zinc/04/61/14/373046114.db2.gz OFICRJFOHLLHPJ-VXGBXAGGSA-N 1 3 257.378 -0.122 20 0 CBADHO CN(CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000354691278 373120801 /nfs/dbraw/zinc/12/08/01/373120801.db2.gz MHLWRHBYISGJML-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH+]1CCC(CNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000362069941 373364424 /nfs/dbraw/zinc/36/44/24/373364424.db2.gz WEGSHKWDMAFYFL-AWEZNQCLSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000362836522 373451521 /nfs/dbraw/zinc/45/15/21/373451521.db2.gz HKXXRPKAMMPEOS-JHJVBQTASA-N 1 3 269.389 -0.027 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000362836522 373451529 /nfs/dbraw/zinc/45/15/29/373451529.db2.gz HKXXRPKAMMPEOS-JHJVBQTASA-N 1 3 269.389 -0.027 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364726622 373521403 /nfs/dbraw/zinc/52/14/03/373521403.db2.gz ZKRCGXOPSUMFAQ-WCBMZHEXSA-N 1 3 263.345 -0.087 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000398997228 373585562 /nfs/dbraw/zinc/58/55/62/373585562.db2.gz QBJTUDSRQQTMLV-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO COCCN(C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417096213 373628916 /nfs/dbraw/zinc/62/89/16/373628916.db2.gz VTKXABMMWKTQOD-MNOVXSKESA-N 1 3 260.382 -0.010 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417277075 373629286 /nfs/dbraw/zinc/62/92/86/373629286.db2.gz GECGQSVVEFFAAL-TUAOUCFPSA-N 1 3 252.362 -0.059 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417439998 373629480 /nfs/dbraw/zinc/62/94/80/373629480.db2.gz NHENESGDAQYCGW-STQMWFEESA-N 1 3 284.404 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417441398 373629862 /nfs/dbraw/zinc/62/98/62/373629862.db2.gz PXIBOXLCSOWGMD-VIFPVBQESA-N 1 3 282.335 -0.154 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419028417 373636783 /nfs/dbraw/zinc/63/67/83/373636783.db2.gz QHIRWTZKKBZAIB-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419428883 373637825 /nfs/dbraw/zinc/63/78/25/373637825.db2.gz UCCMAUIFCFXCQF-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419415255 373638579 /nfs/dbraw/zinc/63/85/79/373638579.db2.gz VDHCPDYSCYPKCP-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419591549 373640887 /nfs/dbraw/zinc/64/08/87/373640887.db2.gz RHNVJQGHGIJQJS-QWRGUYRKSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419580874 373641788 /nfs/dbraw/zinc/64/17/88/373641788.db2.gz HVFSLDMTQOUWKP-CMPLNLGQSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1C[C@@H](C)N(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422561158 373651686 /nfs/dbraw/zinc/65/16/86/373651686.db2.gz JKLKQOUZNKWRFS-UTUOFQBUSA-N 1 3 294.399 -0.111 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000431015664 373675736 /nfs/dbraw/zinc/67/57/36/373675736.db2.gz PZGVCBMTRJMWBJ-QWHCGFSZSA-N 1 3 268.405 -0.404 20 0 CBADHO CC(C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000435245745 373678392 /nfs/dbraw/zinc/67/83/92/373678392.db2.gz DEQFGNNECUACKZ-PSASIEDQSA-N 1 3 260.359 -0.228 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000447436577 373685331 /nfs/dbraw/zinc/68/53/31/373685331.db2.gz ADOBDMVSULDHMT-DLOVCJGASA-N 1 3 255.362 -0.051 20 0 CBADHO CCCN(CCN(C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000514606004 373757024 /nfs/dbraw/zinc/75/70/24/373757024.db2.gz UPWNUJDWHDUXAO-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000514933930 373769590 /nfs/dbraw/zinc/76/95/90/373769590.db2.gz AIUIEOUJOPZCPJ-UPJWGTAASA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH+](C)CC1(NC(=O)[C@H]2CN3CCN2CCC3)CCC1 ZINC000516363714 373811308 /nfs/dbraw/zinc/81/13/08/373811308.db2.gz BUPZJYIHYUVLKK-CYBMUJFWSA-N 1 3 280.416 -0.023 20 0 CBADHO C[NH+](C)CC1(NC(=O)[C@@H]2CN3CCN2CCC3)CCC1 ZINC000516363717 373811455 /nfs/dbraw/zinc/81/14/55/373811455.db2.gz BUPZJYIHYUVLKK-ZDUSSCGKSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCCN(C)C ZINC000516490627 373813754 /nfs/dbraw/zinc/81/37/54/373813754.db2.gz LHHOZJJIKJQYID-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCCN(C)C ZINC000516490627 373813760 /nfs/dbraw/zinc/81/37/60/373813760.db2.gz LHHOZJJIKJQYID-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000520810289 373835031 /nfs/dbraw/zinc/83/50/31/373835031.db2.gz LKRGLEFMAAWFAO-KXUCPTDWSA-N 1 3 257.334 -0.619 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000520810290 373835553 /nfs/dbraw/zinc/83/55/53/373835553.db2.gz LKRGLEFMAAWFAO-LPEHRKFASA-N 1 3 257.334 -0.619 20 0 CBADHO C[C@@H]1CN(CCN2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846085 373798223 /nfs/dbraw/zinc/79/82/23/373798223.db2.gz CDQFDVVYCQRZID-KGLIPLIRSA-N 1 3 298.431 -0.506 20 0 CBADHO NC(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000515840269 373798325 /nfs/dbraw/zinc/79/83/25/373798325.db2.gz JCKWMQCWAVIRBA-DTWKUNHWSA-N 1 3 280.294 -0.618 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000515847945 373798431 /nfs/dbraw/zinc/79/84/31/373798431.db2.gz VGHAVYJVXOAPSE-MNOVXSKESA-N 1 3 271.361 -0.003 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N(C)C ZINC000521269464 373842103 /nfs/dbraw/zinc/84/21/03/373842103.db2.gz ARHPMUZDSNHLBC-NWDGAFQWSA-N 1 3 286.420 -0.245 20 0 CBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000521998603 373856096 /nfs/dbraw/zinc/85/60/96/373856096.db2.gz YWUPNOMXXFVGEG-STQMWFEESA-N 1 3 296.415 -0.183 20 0 CBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000521998603 373856104 /nfs/dbraw/zinc/85/61/04/373856104.db2.gz YWUPNOMXXFVGEG-STQMWFEESA-N 1 3 296.415 -0.183 20 0 CBADHO O=C1NCC[C@H]1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239707 374069377 /nfs/dbraw/zinc/06/93/77/374069377.db2.gz HCZJEUIHJKDHSV-QWHCGFSZSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000530641786 374092271 /nfs/dbraw/zinc/09/22/71/374092271.db2.gz LRPCPLJWZAGFAP-CYBMUJFWSA-N 1 3 298.431 -0.193 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCC1=O ZINC000530881275 374103881 /nfs/dbraw/zinc/10/38/81/374103881.db2.gz KINQFZYKUGJHHF-UHFFFAOYSA-N 1 3 284.404 -0.439 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCN(C)C ZINC000552082089 374261379 /nfs/dbraw/zinc/26/13/79/374261379.db2.gz FZGZPNBXKITMFH-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCCN(C)C ZINC000552082089 374261387 /nfs/dbraw/zinc/26/13/87/374261387.db2.gz FZGZPNBXKITMFH-XQQFMLRXSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000551897976 374248947 /nfs/dbraw/zinc/24/89/47/374248947.db2.gz FMTPBMURCTYGLI-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583756353 374365947 /nfs/dbraw/zinc/36/59/47/374365947.db2.gz ZZBVOCWITSYLOK-YPMHNXCESA-N 1 3 255.362 -0.177 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000583753154 374366144 /nfs/dbraw/zinc/36/61/44/374366144.db2.gz PRWXJBOFPDNMOB-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000577955505 374346154 /nfs/dbraw/zinc/34/61/54/374346154.db2.gz WATSDRFDFQQDKK-MNOVXSKESA-N 1 3 271.361 -0.275 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000577955505 374346159 /nfs/dbraw/zinc/34/61/59/374346159.db2.gz WATSDRFDFQQDKK-MNOVXSKESA-N 1 3 271.361 -0.275 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000643794223 374422147 /nfs/dbraw/zinc/42/21/47/374422147.db2.gz LXTKIYZONQWVEL-JHJVBQTASA-N 1 3 267.373 -0.225 20 0 CBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)CN1CCCC[C@H](N)C1=O ZINC000643801021 374427532 /nfs/dbraw/zinc/42/75/32/374427532.db2.gz SIAHOXRQHHJKRA-QWRGUYRKSA-N 1 3 284.404 -0.184 20 0 CBADHO CN(CC[NH3+])C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000574518261 335025929 /nfs/dbraw/zinc/02/59/29/335025929.db2.gz ZDERBBLSHAVQPC-GBIKHYSHSA-N 1 3 255.362 -0.064 20 0 CBADHO C[N@H+](C[C@@H](O)CNC[C@@H]1CCCNC1=O)C1CC1 ZINC000644555022 374592142 /nfs/dbraw/zinc/59/21/42/374592142.db2.gz AOPWOGNGTMYCTQ-JQWIXIFHSA-N 1 3 255.362 -0.443 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC[C@@H]1CCCNC1=O)C1CC1 ZINC000644555022 374592153 /nfs/dbraw/zinc/59/21/53/374592153.db2.gz AOPWOGNGTMYCTQ-JQWIXIFHSA-N 1 3 255.362 -0.443 20 0 CBADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602937 374600978 /nfs/dbraw/zinc/60/09/78/374600978.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602937 374600984 /nfs/dbraw/zinc/60/09/84/374600984.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 1 3 271.405 -0.250 20 0 CBADHO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602937 374600988 /nfs/dbraw/zinc/60/09/88/374600988.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 1 3 271.405 -0.250 20 0 CBADHO COCCN1CCC(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000645767244 374699189 /nfs/dbraw/zinc/69/91/89/374699189.db2.gz GMXJHNPQCVSVFA-QWHCGFSZSA-N 1 3 285.388 -0.410 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000645803288 374700758 /nfs/dbraw/zinc/70/07/58/374700758.db2.gz NIVUXSODWCLGMR-NSHDSACASA-N 1 3 269.349 -0.253 20 0 CBADHO CN1CCC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645684663 374693197 /nfs/dbraw/zinc/69/31/97/374693197.db2.gz DGWFTLKNJORMQV-GHMZBOCLSA-N 1 3 268.361 -0.935 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000645891277 374711395 /nfs/dbraw/zinc/71/13/95/374711395.db2.gz NQMJKTSVAPLPNZ-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000645951643 374717738 /nfs/dbraw/zinc/71/77/38/374717738.db2.gz SATMMSDEGDRZQE-WOPDTQHZSA-N 1 3 255.362 -0.179 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000646108726 374740149 /nfs/dbraw/zinc/74/01/49/374740149.db2.gz XGYMUPKKOYOXOH-STQMWFEESA-N 1 3 282.432 -0.016 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000646108724 374741106 /nfs/dbraw/zinc/74/11/06/374741106.db2.gz XGYMUPKKOYOXOH-QWHCGFSZSA-N 1 3 282.432 -0.016 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H]2CC[NH2+]C2)C1(C)C ZINC000646635409 374796595 /nfs/dbraw/zinc/79/65/95/374796595.db2.gz LPCZAFWPOFAKNT-CWSCBRNRSA-N 1 3 255.362 -0.003 20 0 CBADHO CN1CCN(C(=O)[C@H]2CNCc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835439 374821546 /nfs/dbraw/zinc/82/15/46/374821546.db2.gz CSCALOWXYVFNKC-HIFRSBDPSA-N 1 3 288.395 -0.025 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CNCc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835440 374822161 /nfs/dbraw/zinc/82/21/61/374822161.db2.gz CSCALOWXYVFNKC-UKRRQHHQSA-N 1 3 288.395 -0.025 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@@H](C)CN1 ZINC000646298135 374767741 /nfs/dbraw/zinc/76/77/41/374767741.db2.gz DNOQROANWUTBMR-WOPDTQHZSA-N 1 3 292.387 -0.148 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646343916 374772218 /nfs/dbraw/zinc/77/22/18/374772218.db2.gz VUTMXCLAWWYTHU-RWMBFGLXSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N(C)C ZINC000646427274 374777669 /nfs/dbraw/zinc/77/76/69/374777669.db2.gz XLCJCPFFEPYMSG-QWRGUYRKSA-N 1 3 280.376 -0.290 20 0 CBADHO NCc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000646578819 374791168 /nfs/dbraw/zinc/79/11/68/374791168.db2.gz GNLVXNWAKOHFJP-LBPRGKRZSA-N 1 3 276.340 -0.048 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000647058081 374876350 /nfs/dbraw/zinc/87/63/50/374876350.db2.gz LVRNELFPPKQFLZ-GUBZILKMSA-N 1 3 281.335 -0.084 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000647058082 374878268 /nfs/dbraw/zinc/87/82/68/374878268.db2.gz LVRNELFPPKQFLZ-UTLUCORTSA-N 1 3 281.335 -0.084 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000647087923 374884108 /nfs/dbraw/zinc/88/41/08/374884108.db2.gz WVOMFCJUVPPQBO-VXGBXAGGSA-N 1 3 292.387 -0.102 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574639017 335036238 /nfs/dbraw/zinc/03/62/38/335036238.db2.gz QIJIMVJJQRFRKV-FZMZJTMJSA-N 1 3 283.372 -0.131 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356383586 248241802 /nfs/dbraw/zinc/24/18/02/248241802.db2.gz BVBXREPAGPOEAT-JFGNBEQYSA-N 1 3 270.377 -0.705 20 0 CBADHO COCCN1CC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000356087720 248198273 /nfs/dbraw/zinc/19/82/73/248198273.db2.gz JCTQGMYGVSKNSS-LBPRGKRZSA-N 1 3 272.393 -0.090 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000357242034 248336171 /nfs/dbraw/zinc/33/61/71/248336171.db2.gz LPWGWQGYVVTOMI-GFCCVEGCSA-N 1 3 282.388 -0.652 20 0 CBADHO C[C@@H](CNC(=O)[C@@H](C)C[NH3+])CN1CCN(C)CC1 ZINC000357240094 248337428 /nfs/dbraw/zinc/33/74/28/248337428.db2.gz JEWBFGBOFLASHH-RYUDHWBXSA-N 1 3 256.394 -0.419 20 0 CBADHO C[C@H](C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000357249354 248341079 /nfs/dbraw/zinc/34/10/79/248341079.db2.gz SEMRDJANRNHQFP-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000357312089 248350290 /nfs/dbraw/zinc/35/02/90/248350290.db2.gz VJNCFVKZKYWNJM-PRULPYPASA-N 1 3 255.362 -0.132 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574680997 335039115 /nfs/dbraw/zinc/03/91/15/335039115.db2.gz WPKQHVCGTASUHM-QWHCGFSZSA-N 1 3 283.420 -0.374 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574692562 335040234 /nfs/dbraw/zinc/04/02/34/335040234.db2.gz ZKYKHBANYDQVLX-DZGCQCFKSA-N 1 3 296.415 -0.312 20 0 CBADHO CCC[C@@H]1CNCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653128999 412884919 /nfs/dbraw/zinc/88/49/19/412884919.db2.gz JFUMYPXVIYVCOQ-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574755016 335044890 /nfs/dbraw/zinc/04/48/90/335044890.db2.gz SFXBUUSGDBOCBD-UPJWGTAASA-N 1 3 267.373 -0.177 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH2+]C ZINC000418922144 207620702 /nfs/dbraw/zinc/62/07/02/207620702.db2.gz DMGNRJDFSZWWFH-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418955461 207624125 /nfs/dbraw/zinc/62/41/25/207624125.db2.gz YFHYKWBURCOJAQ-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419419462 207690051 /nfs/dbraw/zinc/69/00/51/207690051.db2.gz ZAACHTJPASXEQM-STQMWFEESA-N 1 3 298.431 -0.112 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419587611 207712041 /nfs/dbraw/zinc/71/20/41/207712041.db2.gz NPWFPHAJJVTZLQ-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944404 207764807 /nfs/dbraw/zinc/76/48/07/207764807.db2.gz AQPWLCAXRRNGBK-LBPRGKRZSA-N 1 3 286.420 -0.256 20 0 CBADHO CCCN(C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000428735684 208100020 /nfs/dbraw/zinc/10/00/20/208100020.db2.gz WXBVJIJBQBWWGL-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CCN1CCN(CCC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000428194030 208081800 /nfs/dbraw/zinc/08/18/00/208081800.db2.gz JAYXNTXPYGOZAJ-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO COCCNCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430900714 285074024 /nfs/dbraw/zinc/07/40/24/285074024.db2.gz QSHQNGHXIGOYRY-GFCCVEGCSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCNCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430900714 285074026 /nfs/dbraw/zinc/07/40/26/285074026.db2.gz QSHQNGHXIGOYRY-GFCCVEGCSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430718315 208175066 /nfs/dbraw/zinc/17/50/66/208175066.db2.gz BVVFDUBYIZOBMN-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[C@@H]([NH2+]C)C2)CC1 ZINC000430631021 208167813 /nfs/dbraw/zinc/16/78/13/208167813.db2.gz ZNOZIOAIXJDTLP-CYBMUJFWSA-N 1 3 268.405 -0.119 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)COC1CNC1 ZINC000430805719 208184541 /nfs/dbraw/zinc/18/45/41/208184541.db2.gz ATMXOOIDCLIQJW-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)COC1CNC1 ZINC000430805719 208184545 /nfs/dbraw/zinc/18/45/45/208184545.db2.gz ATMXOOIDCLIQJW-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000430882002 208186002 /nfs/dbraw/zinc/18/60/02/208186002.db2.gz GPMNSBZPRSMNHM-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000431007973 208198906 /nfs/dbraw/zinc/19/89/06/208198906.db2.gz WZKOTVQKYJKXDZ-CHWSQXEVSA-N 1 3 270.421 -0.031 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)COC1CNC1 ZINC000431011243 208200229 /nfs/dbraw/zinc/20/02/29/208200229.db2.gz CKFPKTUMKPRUNA-LLVKDONJSA-N 1 3 273.377 -0.552 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C2([NH3+])CC2)CC1 ZINC000431025027 208200389 /nfs/dbraw/zinc/20/03/89/208200389.db2.gz XFHUWNXGDLPPTG-NSHDSACASA-N 1 3 254.378 -0.380 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000431015663 208200400 /nfs/dbraw/zinc/20/04/00/208200400.db2.gz PZGVCBMTRJMWBJ-OLZOCXBDSA-N 1 3 268.405 -0.404 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000431027771 208201698 /nfs/dbraw/zinc/20/16/98/208201698.db2.gz KVVFKDTYXCBGLH-UONOGXRCSA-N 1 3 298.431 -0.493 20 0 CBADHO CN(C)[C@@]1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCSC1 ZINC000432518856 208225619 /nfs/dbraw/zinc/22/56/19/208225619.db2.gz LPBAGFVWOHHGKF-HOSYDEDBSA-N 1 3 273.402 -0.737 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434876556 208273003 /nfs/dbraw/zinc/27/30/03/208273003.db2.gz YSHDDNPTTGHEMC-NWDGAFQWSA-N 1 3 287.429 -0.082 20 0 CBADHO [NH3+]CC[C@H](NC(=O)CCOC1CNC1)C(F)(F)F ZINC000575052862 335059757 /nfs/dbraw/zinc/05/97/57/335059757.db2.gz PBUOZMMZBLWMRB-QMMMGPOBSA-N 1 3 269.267 -0.239 20 0 CBADHO COC[C@@]1(CNC(=O)[C@H](N)CC(F)F)CCC[NH2+]1 ZINC000521041592 260031978 /nfs/dbraw/zinc/03/19/78/260031978.db2.gz RNSMCRGXILAWBS-KCJUWKMLSA-N 1 3 265.304 -0.146 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353450543 285333247 /nfs/dbraw/zinc/33/32/47/285333247.db2.gz OMTBQCAJGUNOBV-RYUDHWBXSA-N 1 3 272.393 -0.898 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353450540 285335067 /nfs/dbraw/zinc/33/50/67/285335067.db2.gz OMTBQCAJGUNOBV-NEPJUHHUSA-N 1 3 272.393 -0.898 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376696778 285335075 /nfs/dbraw/zinc/33/50/75/285335075.db2.gz ZITNKTPHUQCFES-OCCSQVGLSA-N 1 3 286.395 -0.170 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353450545 285335365 /nfs/dbraw/zinc/33/53/65/285335365.db2.gz OMTBQCAJGUNOBV-VXGBXAGGSA-N 1 3 272.393 -0.898 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417851653 296585274 /nfs/dbraw/zinc/58/52/74/296585274.db2.gz NIHITJACCBVEHJ-MGPQQGTHSA-N 1 3 280.416 -0.119 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000348986568 289290813 /nfs/dbraw/zinc/29/08/13/289290813.db2.gz BXXTUQOERXQBBM-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO COCCCN(C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417745825 292335772 /nfs/dbraw/zinc/33/57/72/292335772.db2.gz FSRRGTQTMIYHOR-OLZOCXBDSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCCN(C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178811494 292338194 /nfs/dbraw/zinc/33/81/94/292338194.db2.gz NYHVZCQROLFBCV-LBPRGKRZSA-N 1 3 261.341 -0.228 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419138713 289540408 /nfs/dbraw/zinc/54/04/08/289540408.db2.gz REJQAUJTPRCWKK-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCNC2=O)CC1 ZINC000178199333 287086343 /nfs/dbraw/zinc/08/63/43/287086343.db2.gz KZRSLRSXDMKSQD-DGCLKSJQSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+](C)C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000036192921 411624574 /nfs/dbraw/zinc/62/45/74/411624574.db2.gz NBHYAPWQWYZDTF-UHFFFAOYSA-N 1 3 254.378 -0.556 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)CN1CCNCC1 ZINC000020521168 171234382 /nfs/dbraw/zinc/23/43/82/171234382.db2.gz XYRSSVFIINTJEC-UHFFFAOYSA-N 1 3 256.394 -0.404 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000662750471 413992490 /nfs/dbraw/zinc/99/24/90/413992490.db2.gz SOZQIRJSJYQNOG-QWRGUYRKSA-N 1 3 291.355 -0.212 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000662750470 413994114 /nfs/dbraw/zinc/99/41/14/413994114.db2.gz SOZQIRJSJYQNOG-MNOVXSKESA-N 1 3 291.355 -0.212 20 0 CBADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900537 414060965 /nfs/dbraw/zinc/06/09/65/414060965.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900537 414060975 /nfs/dbraw/zinc/06/09/75/414060975.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900534 414061931 /nfs/dbraw/zinc/06/19/31/414061931.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900534 414061937 /nfs/dbraw/zinc/06/19/37/414061937.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 1 3 268.405 -0.040 20 0 CBADHO CCN(C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221255 176087308 /nfs/dbraw/zinc/08/73/08/176087308.db2.gz IBWNIAJSUWHODG-UHFFFAOYSA-N 1 3 280.376 -0.116 20 0 CBADHO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000354694755 227074330 /nfs/dbraw/zinc/07/43/30/227074330.db2.gz QTPKLFYMSIERBI-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355903085 228043390 /nfs/dbraw/zinc/04/33/90/228043390.db2.gz SLHISIUAAORWJJ-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000367159391 228151252 /nfs/dbraw/zinc/15/12/52/228151252.db2.gz NMSUFAOIPLWJSW-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000367159391 228151253 /nfs/dbraw/zinc/15/12/53/228151253.db2.gz NMSUFAOIPLWJSW-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089698821 544436205 /nfs/dbraw/zinc/43/62/05/544436205.db2.gz IUWCQQGJFSQLMI-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000089699784 544437001 /nfs/dbraw/zinc/43/70/01/544437001.db2.gz QNSHZUKUQRQCMP-UHFFFAOYSA-N 1 3 282.392 -0.103 20 0 CBADHO CN(CCNC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000089709109 544437671 /nfs/dbraw/zinc/43/76/71/544437671.db2.gz LTWFMAFNMNWEON-UHFFFAOYSA-N 1 3 252.322 -0.939 20 0 CBADHO C[N@H+](CCCN)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695939 544444085 /nfs/dbraw/zinc/44/40/85/544444085.db2.gz XCZRBJPUVQYBDQ-NSHDSACASA-N 1 3 263.407 -0.061 20 0 CBADHO C[N@@H+](CCCN)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695939 544444087 /nfs/dbraw/zinc/44/40/87/544444087.db2.gz XCZRBJPUVQYBDQ-NSHDSACASA-N 1 3 263.407 -0.061 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1C ZINC000098061764 544446772 /nfs/dbraw/zinc/44/67/72/544446772.db2.gz CIMVPKGJBVRQDZ-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@H+]1C ZINC000098061764 544446775 /nfs/dbraw/zinc/44/67/75/544446775.db2.gz CIMVPKGJBVRQDZ-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CCN(C3CC3)C2)C[NH2+]C1 ZINC000098061720 544446954 /nfs/dbraw/zinc/44/69/54/544446954.db2.gz IUOBBOLKZMLANT-SNVBAGLBSA-N 1 3 253.346 -0.282 20 0 CBADHO CC1(OCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CNC1 ZINC000098061665 544447066 /nfs/dbraw/zinc/44/70/66/544447066.db2.gz CZFFAIIPLVWYIX-LLVKDONJSA-N 1 3 267.373 -0.035 20 0 CBADHO CC1(OCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CNC1 ZINC000098061665 544447069 /nfs/dbraw/zinc/44/70/69/544447069.db2.gz CZFFAIIPLVWYIX-LLVKDONJSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000226078909 544493108 /nfs/dbraw/zinc/49/31/08/544493108.db2.gz QKWAJJAMWRJGNO-VIFPVBQESA-N 1 3 252.322 -0.939 20 0 CBADHO CC(C(=O)NCCC1CC[NH2+]CC1)S(C)(=O)=O ZINC000168104844 544479203 /nfs/dbraw/zinc/47/92/03/544479203.db2.gz FLHRIIDVEQYBOJ-VIFPVBQESA-N 1 3 262.375 -0.075 20 0 CBADHO CNC(=O)CCN(C)[C@@H](C)CC[N@H+](C)CCC(=O)NC ZINC000178301831 544481625 /nfs/dbraw/zinc/48/16/25/544481625.db2.gz DBMGAYOLYAQFOL-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CNC(=O)CCN(C)[C@@H](C)CC[N@@H+](C)CCC(=O)NC ZINC000178301831 544481629 /nfs/dbraw/zinc/48/16/29/544481629.db2.gz DBMGAYOLYAQFOL-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CN(C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000269697487 544523385 /nfs/dbraw/zinc/52/33/85/544523385.db2.gz LFKHLCAJOOWPKK-UHFFFAOYSA-N 1 3 296.371 -0.138 20 0 CBADHO CC(C)N(C)C[C@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000310882870 544530063 /nfs/dbraw/zinc/53/00/63/544530063.db2.gz OAAGBTOQLTXSQW-GFCCVEGCSA-N 1 3 260.378 -0.181 20 0 CBADHO Cc1nc(N)nc(N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000631351211 419479330 /nfs/dbraw/zinc/47/93/30/419479330.db2.gz HGTOACHBAYUNJO-JTQLQIEISA-N 1 3 281.408 -0.132 20 0 CBADHO Cc1nc(N)nc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000631351211 419479337 /nfs/dbraw/zinc/47/93/37/419479337.db2.gz HGTOACHBAYUNJO-JTQLQIEISA-N 1 3 281.408 -0.132 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(=O)n(C)n1 ZINC000103211847 419479715 /nfs/dbraw/zinc/47/97/15/419479715.db2.gz IOGGBJAGLWSTLE-UHFFFAOYSA-N 1 3 295.387 -0.654 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCOC1 ZINC000103212599 419480209 /nfs/dbraw/zinc/48/02/09/419480209.db2.gz AIJCSNPWKPZBJB-LBPRGKRZSA-N 1 3 257.378 -0.025 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N1CCN(C2CCCC2)CC1 ZINC000052062720 419453504 /nfs/dbraw/zinc/45/35/04/419453504.db2.gz FDOUDASURLKKHF-UHFFFAOYSA-N 1 3 280.416 -0.022 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000062972740 419459398 /nfs/dbraw/zinc/45/93/98/419459398.db2.gz BUYHHNBXYKZNKM-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)CCn1ccc(NC(=O)CCC2C[NH2+]C2)n1 ZINC000638090788 419527580 /nfs/dbraw/zinc/52/75/80/419527580.db2.gz YULKELYWBLNQNF-UHFFFAOYSA-N 1 3 265.361 0.383 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662274300 419568056 /nfs/dbraw/zinc/56/80/56/419568056.db2.gz UPMPNHAJVSQHCI-OLZOCXBDSA-N 1 3 291.399 -0.113 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000389613264 544577080 /nfs/dbraw/zinc/57/70/80/544577080.db2.gz YNRUBYQIPSTECZ-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000389613264 544577083 /nfs/dbraw/zinc/57/70/83/544577083.db2.gz YNRUBYQIPSTECZ-AAEUAGOBSA-N 1 3 284.404 -0.314 20 0 CBADHO O=C([C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243511 419556936 /nfs/dbraw/zinc/55/69/36/419556936.db2.gz MKUZDCKRDNITRL-KGLIPLIRSA-N 1 3 296.415 -0.881 20 0 CBADHO O=C([C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1)N1CCNCC1 ZINC000662243511 419556944 /nfs/dbraw/zinc/55/69/44/419556944.db2.gz MKUZDCKRDNITRL-KGLIPLIRSA-N 1 3 296.415 -0.881 20 0 CBADHO [NH3+]CCCOC1CCN(C[C@H]2CNCCO2)CC1 ZINC000662247675 419562865 /nfs/dbraw/zinc/56/28/65/419562865.db2.gz JAMURTLVLKQPIB-CYBMUJFWSA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662248232 419563015 /nfs/dbraw/zinc/56/30/15/419563015.db2.gz WPESHRYVEGPZBO-SRVKXCTJSA-N 1 3 255.362 -0.445 20 0 CBADHO C[C@H](CNC(=O)CN1CC[NH2+]CC1)N(C)C1CC1 ZINC000219963185 419565020 /nfs/dbraw/zinc/56/50/20/419565020.db2.gz FAQDHVRYAPXYRM-LLVKDONJSA-N 1 3 254.378 -0.510 20 0 CBADHO COC[C@](C)(CCO)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662259190 419567295 /nfs/dbraw/zinc/56/72/95/419567295.db2.gz RNJCSCNMDSJBIC-RYUDHWBXSA-N 1 3 258.362 -0.116 20 0 CBADHO CN1CCC[C@H](N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000662277528 419572281 /nfs/dbraw/zinc/57/22/81/419572281.db2.gz VODMYMPWKOBIHS-STQMWFEESA-N 1 3 266.389 -0.413 20 0 CBADHO Cn1cc(CN2CCCN(C[C@@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662277828 419573607 /nfs/dbraw/zinc/57/36/07/419573607.db2.gz UNCOLOIQRJXODP-HNNXBMFYSA-N 1 3 293.415 -0.084 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236881570 419574780 /nfs/dbraw/zinc/57/47/80/419574780.db2.gz PDVZSXWGZRZNBI-AWEZNQCLSA-N 1 3 268.405 -0.260 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237028056 419576846 /nfs/dbraw/zinc/57/68/46/419576846.db2.gz GPMNSBZPRSMNHM-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO COCC[NH2+]C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662286532 419577199 /nfs/dbraw/zinc/57/71/99/419577199.db2.gz QAVGZNMTNRCGAI-ZDUSSCGKSA-N 1 3 257.378 -0.325 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000662296612 419579928 /nfs/dbraw/zinc/57/99/28/419579928.db2.gz TZDMDVMBHVIXHM-VXGBXAGGSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296612 419579938 /nfs/dbraw/zinc/57/99/38/419579938.db2.gz TZDMDVMBHVIXHM-VXGBXAGGSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296612 419579942 /nfs/dbraw/zinc/57/99/42/419579942.db2.gz TZDMDVMBHVIXHM-VXGBXAGGSA-N 1 3 253.350 -0.430 20 0 CBADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COCCO1 ZINC000662307485 419583649 /nfs/dbraw/zinc/58/36/49/419583649.db2.gz WHEJRIXLYJEADP-NWDGAFQWSA-N 1 3 256.346 -0.145 20 0 CBADHO [NH3+]CCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338949 419590372 /nfs/dbraw/zinc/59/03/72/419590372.db2.gz XOBFITXDKTWFBS-GFCCVEGCSA-N 1 3 278.404 -0.043 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058022 419590568 /nfs/dbraw/zinc/59/05/68/419590568.db2.gz IYJRZEHTUCMYIM-DCAQKATOSA-N 1 3 286.351 -0.939 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2CCC[C@@H]([NH3+])C2)C1 ZINC000647482260 419591641 /nfs/dbraw/zinc/59/16/41/419591641.db2.gz RFXWWTOYCUAWOB-NWDGAFQWSA-N 1 3 254.378 -0.393 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000647723898 419640045 /nfs/dbraw/zinc/64/00/45/419640045.db2.gz AAUYWHAIBDONAN-WZRBSPASSA-N 1 3 284.404 -0.410 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534021 419603301 /nfs/dbraw/zinc/60/33/01/419603301.db2.gz DREBDJNWPWKAAV-HZSPNIEDSA-N 1 3 280.416 -0.133 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000662426621 419604080 /nfs/dbraw/zinc/60/40/80/419604080.db2.gz WTZNZTACMBEMOF-DTWKUNHWSA-N 1 3 279.348 -0.720 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000647541871 419605626 /nfs/dbraw/zinc/60/56/26/419605626.db2.gz ZNVIYZMXYUGNRP-QWRGUYRKSA-N 1 3 290.358 -0.277 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542307 419608314 /nfs/dbraw/zinc/60/83/14/419608314.db2.gz OGUBTHNPDAYHLJ-MCIONIFRSA-N 1 3 280.416 -0.133 20 0 CBADHO Cn1cc(CCN2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000311339330 419620144 /nfs/dbraw/zinc/62/01/44/419620144.db2.gz HMYKHNGQVIPIGM-AWEZNQCLSA-N 1 3 263.389 -0.058 20 0 CBADHO O=C(CNCC1CC1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328631898 419631405 /nfs/dbraw/zinc/63/14/05/419631405.db2.gz RNVOBRNRRUVSCR-LLVKDONJSA-N 1 3 263.345 0.356 20 0 CBADHO CC(C)NCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662516588 419631253 /nfs/dbraw/zinc/63/12/53/419631253.db2.gz DGYXCIXZUSIZRG-LBPRGKRZSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647818208 419660969 /nfs/dbraw/zinc/66/09/69/419660969.db2.gz CTEBZNCEUVJFDM-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CCN(C)C(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000647836234 419668634 /nfs/dbraw/zinc/66/86/34/419668634.db2.gz SAZFDYXZWYBYHB-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CC1(C)CNCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000647841413 419669973 /nfs/dbraw/zinc/66/99/73/419669973.db2.gz RIZJFUYNCHRYCF-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO CC1(OCC(=O)N2CCC(OCCC[NH3+])CC2)CNC1 ZINC000647872205 419680092 /nfs/dbraw/zinc/68/00/92/419680092.db2.gz GPHDKYOYGBLUSR-UHFFFAOYSA-N 1 3 285.388 -0.279 20 0 CBADHO CN1CCN(C(=O)[C@H]2CNCCC2(F)F)[C@H](C[NH3+])C1 ZINC000647874208 419681721 /nfs/dbraw/zinc/68/17/21/419681721.db2.gz IMHAKJVDTTXVLD-NXEZZACHSA-N 1 3 276.331 -0.668 20 0 CBADHO COCCN1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662692543 419684795 /nfs/dbraw/zinc/68/47/95/419684795.db2.gz LUBVQWDJXKDDGG-XYPYZODXSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCN1 ZINC000662770236 419714905 /nfs/dbraw/zinc/71/49/05/419714905.db2.gz NGJHSKCOYTUOSC-UTUOFQBUSA-N 1 3 255.362 -0.193 20 0 CBADHO CCN1C(=O)[C@H]2CN(CC3CC[NH2+]CC3)CCN2C1=O ZINC000647891631 419686645 /nfs/dbraw/zinc/68/66/45/419686645.db2.gz ZDPSURWYLUWEFC-GFCCVEGCSA-N 1 3 280.372 -0.046 20 0 CBADHO CC[C@H]1CN(CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000647934361 419691082 /nfs/dbraw/zinc/69/10/82/419691082.db2.gz BVUPBMJUMPHNEJ-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CCN2CCC(C)([NH3+])CC2)CC1 ZINC000647924081 419691585 /nfs/dbraw/zinc/69/15/85/419691585.db2.gz DCJKDOWYIDCHRA-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])n1 ZINC000662704945 419693629 /nfs/dbraw/zinc/69/36/29/419693629.db2.gz MGMQIXMVXQYFCN-WDEREUQCSA-N 1 3 281.360 -0.253 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662713314 419696680 /nfs/dbraw/zinc/69/66/80/419696680.db2.gz YWKWCKUUKIZZFT-AGIUHOORSA-N 1 3 285.388 -0.423 20 0 CBADHO [NH3+][C@H]1C[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000662715041 419697505 /nfs/dbraw/zinc/69/75/05/419697505.db2.gz CVLAEBFKMIMLBE-JOCQHMNTSA-N 1 3 294.399 -0.510 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662754120 419712263 /nfs/dbraw/zinc/71/22/63/419712263.db2.gz DMZOPIWXBFLRBJ-LPTSXCQYSA-N 1 3 267.373 -0.051 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662566200 419644224 /nfs/dbraw/zinc/64/42/24/419644224.db2.gz TYQHCDROJNZKPX-UTLUCORTSA-N 1 3 281.335 -0.084 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)CNC[C@@H]1CCCO1 ZINC000647770005 419651325 /nfs/dbraw/zinc/65/13/25/419651325.db2.gz SZBCXBXUZSSZHE-ZDUSSCGKSA-N 1 3 284.404 -0.881 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)C(N)C(F)(F)F ZINC000647777232 419653444 /nfs/dbraw/zinc/65/34/44/419653444.db2.gz GELZLLLBGUJYEW-MRVPVSSYSA-N 1 3 268.283 -0.760 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000662790252 419725731 /nfs/dbraw/zinc/72/57/31/419725731.db2.gz BGDZIECVIFIGJP-NEPJUHHUSA-N 1 3 253.346 -0.343 20 0 CBADHO CC1(OCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CNC1 ZINC000648103413 419726367 /nfs/dbraw/zinc/72/63/67/419726367.db2.gz REYBJRHNMOTNCD-LLVKDONJSA-N 1 3 253.346 -0.282 20 0 CBADHO CC1(OCC(=O)NCC2(C)CC[NH2+]CC2)CNC1 ZINC000648108702 419731884 /nfs/dbraw/zinc/73/18/84/419731884.db2.gz VRWNSUPPYHPRRV-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO CN(C)CCOCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662796096 419731936 /nfs/dbraw/zinc/73/19/36/419731936.db2.gz IGJVWOROLKKCLQ-WDEREUQCSA-N 1 3 259.350 -0.955 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662800937 419731962 /nfs/dbraw/zinc/73/19/62/419731962.db2.gz HEXJHKJBXYDZFB-RYUDHWBXSA-N 1 3 255.362 -0.097 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813547 419737964 /nfs/dbraw/zinc/73/79/64/419737964.db2.gz KMEYWUNOULSNJY-WCBMZHEXSA-N 1 3 281.278 -0.367 20 0 CBADHO CN1CC[C@](N)(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124344 419743057 /nfs/dbraw/zinc/74/30/57/419743057.db2.gz XWPRABGMAWEYST-GMXVVIOVSA-N 1 3 252.362 -0.770 20 0 CBADHO CC1(OCC(=O)N2CCC[C@H](CC[NH3+])C2)CNC1 ZINC000648130108 419745951 /nfs/dbraw/zinc/74/59/51/419745951.db2.gz IVJREKOCOLAMCS-LLVKDONJSA-N 1 3 255.362 -0.048 20 0 CBADHO CC1(OCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CNC1 ZINC000648137980 419751064 /nfs/dbraw/zinc/75/10/64/419751064.db2.gz YJTCQYZZRJFBEN-AWEZNQCLSA-N 1 3 267.373 -0.033 20 0 CBADHO CC1(OCC(=O)N2CCC3(CC[NH2+]C3)CC2)CNC1 ZINC000648141321 419751115 /nfs/dbraw/zinc/75/11/15/419751115.db2.gz BQCNNUWZCBBDLI-UHFFFAOYSA-N 1 3 267.373 -0.033 20 0 CBADHO NCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859232 419751470 /nfs/dbraw/zinc/75/14/70/419751470.db2.gz LUDVVZVPXFAVSG-ZDUSSCGKSA-N 1 3 263.341 -0.172 20 0 CBADHO NCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859232 419751474 /nfs/dbraw/zinc/75/14/74/419751474.db2.gz LUDVVZVPXFAVSG-ZDUSSCGKSA-N 1 3 263.341 -0.172 20 0 CBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CNCCC1(F)F ZINC000648148202 419759304 /nfs/dbraw/zinc/75/93/04/419759304.db2.gz RKHDLKHRTXPQBJ-VHSXEESVSA-N 1 3 277.315 -0.274 20 0 CBADHO CC1(OCC(=O)N2CCN3CCC2CC3)C[NH2+]C1 ZINC000648153835 419760002 /nfs/dbraw/zinc/76/00/02/419760002.db2.gz WMNIDRBVYNHIGA-UHFFFAOYSA-N 1 3 253.346 -0.329 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153369 419761050 /nfs/dbraw/zinc/76/10/50/419761050.db2.gz AFPWRTQEMQWTEZ-MCIONIFRSA-N 1 3 280.416 -0.167 20 0 CBADHO CN(CCCN(C)CC(=O)N1CCNC1=O)CC[NH+](C)C ZINC000344030534 419765047 /nfs/dbraw/zinc/76/50/47/419765047.db2.gz BUXOXNMAJBJGDC-UHFFFAOYSA-N 1 3 299.419 -0.647 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)C[C@H]2N)cn1 ZINC000648181009 419770969 /nfs/dbraw/zinc/77/09/69/419770969.db2.gz WQFHOROIHGQRJJ-SCRDCRAPSA-N 1 3 277.372 -0.185 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662921194 419773919 /nfs/dbraw/zinc/77/39/19/419773919.db2.gz FZMOYONKCISLRV-UHFFFAOYSA-N 1 3 282.388 -0.654 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000662927150 419778523 /nfs/dbraw/zinc/77/85/23/419778523.db2.gz UINUIHYIMUDDFP-QWHCGFSZSA-N 1 3 298.431 -0.114 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000662930235 419781469 /nfs/dbraw/zinc/78/14/69/419781469.db2.gz NPFVAKQLVLXNGN-UHFFFAOYSA-N 1 3 284.404 -0.406 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000516492702 544601431 /nfs/dbraw/zinc/60/14/31/544601431.db2.gz SGOCNASUDSQVLH-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C)C2)CC[N@@H+]1C ZINC000648862093 419815825 /nfs/dbraw/zinc/81/58/25/419815825.db2.gz AQXMTPSDCGYXDM-NQBHXWOUSA-N 1 3 255.362 -0.491 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C)C2)CC[N@H+]1C ZINC000648862093 419815831 /nfs/dbraw/zinc/81/58/31/419815831.db2.gz AQXMTPSDCGYXDM-NQBHXWOUSA-N 1 3 255.362 -0.491 20 0 CBADHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000518497439 544602087 /nfs/dbraw/zinc/60/20/87/544602087.db2.gz XXSSUUXJIAWFLT-OLZOCXBDSA-N 1 3 283.420 -0.327 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351760014 419826215 /nfs/dbraw/zinc/82/62/15/419826215.db2.gz FJWMZCYOKZSRMR-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000663217033 419828234 /nfs/dbraw/zinc/82/82/34/419828234.db2.gz AIRIAWHGARGPBB-YPMHNXCESA-N 1 3 265.357 -0.423 20 0 CBADHO CS(=O)(=O)N1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663498222 419842205 /nfs/dbraw/zinc/84/22/05/419842205.db2.gz NLDGQOCQHBNUPU-UHFFFAOYSA-N 1 3 273.402 -0.248 20 0 CBADHO C(CN1CC[NH2+]CC1)NCc1nc2c(s1)CNCC2 ZINC000663493773 419843568 /nfs/dbraw/zinc/84/35/68/419843568.db2.gz JTMHMIPFDRPEIR-UHFFFAOYSA-N 1 3 281.429 -0.216 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000649274449 419856697 /nfs/dbraw/zinc/85/66/97/419856697.db2.gz LUCWPRGHRVJWLB-FRRDWIJNSA-N 1 3 268.405 -0.040 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000662966110 419796215 /nfs/dbraw/zinc/79/62/15/419796215.db2.gz PIEOZYKRSWEOHI-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000355286477 419867702 /nfs/dbraw/zinc/86/77/02/419867702.db2.gz XPRYVKRVSQQHKW-LBPRGKRZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[N@@H+]1CCC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000649310488 419873014 /nfs/dbraw/zinc/87/30/14/419873014.db2.gz MYHNGVYWHVEWKB-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[N@H+]1CCC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000649310488 419873021 /nfs/dbraw/zinc/87/30/21/419873021.db2.gz MYHNGVYWHVEWKB-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[NH+](C)CCn1cc(NC(=O)COC2(C)CNC2)cn1 ZINC000649312558 419880072 /nfs/dbraw/zinc/88/00/72/419880072.db2.gz YZYXZVJNJUGGBK-UHFFFAOYSA-N 1 3 281.360 -0.238 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649350582 419897842 /nfs/dbraw/zinc/89/78/42/419897842.db2.gz QOCYPSOOOSCADH-DGAVXFQQSA-N 1 3 280.416 -0.121 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000649322898 419882880 /nfs/dbraw/zinc/88/28/80/419882880.db2.gz UYTADTHAMZJLBF-JSGCOSHPSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000649322898 419882888 /nfs/dbraw/zinc/88/28/88/419882888.db2.gz UYTADTHAMZJLBF-JSGCOSHPSA-N 1 3 296.415 -0.314 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649323714 419886447 /nfs/dbraw/zinc/88/64/47/419886447.db2.gz SPTTVGXXNRUICW-NNYUYHANSA-N 1 3 253.346 -0.711 20 0 CBADHO COCCC[N@H+](C)CCNC(=O)COC1(C)CNC1 ZINC000649340169 419896231 /nfs/dbraw/zinc/89/62/31/419896231.db2.gz FYZLJXUZCZMVIQ-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCC[N@@H+](C)CCNC(=O)COC1(C)CNC1 ZINC000649340169 419896234 /nfs/dbraw/zinc/89/62/34/419896234.db2.gz FYZLJXUZCZMVIQ-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCO ZINC000665760591 544615290 /nfs/dbraw/zinc/61/52/90/544615290.db2.gz KZUNXVJQCAJING-LBPRGKRZSA-N 1 3 274.409 -0.108 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCO ZINC000665760591 544615294 /nfs/dbraw/zinc/61/52/94/544615294.db2.gz KZUNXVJQCAJING-LBPRGKRZSA-N 1 3 274.409 -0.108 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663849839 419863813 /nfs/dbraw/zinc/86/38/13/419863813.db2.gz MXJJTCPQHZYSNC-WOPDTQHZSA-N 1 3 272.393 -0.357 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000666922363 544650635 /nfs/dbraw/zinc/65/06/35/544650635.db2.gz OYOVNTZBPXLILP-AVGNSLFASA-N 1 3 284.404 -0.213 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000666922363 544650636 /nfs/dbraw/zinc/65/06/36/544650636.db2.gz OYOVNTZBPXLILP-AVGNSLFASA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000358518454 419900867 /nfs/dbraw/zinc/90/08/67/419900867.db2.gz KBULISDRPVIWPN-NSHDSACASA-N 1 3 272.393 -0.308 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)COC2(C)CNC2)CC1 ZINC000649343105 419900960 /nfs/dbraw/zinc/90/09/60/419900960.db2.gz FBRWCWUGXABEFQ-UHFFFAOYSA-N 1 3 298.431 -0.493 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811780 544673566 /nfs/dbraw/zinc/67/35/66/544673566.db2.gz WDVWJBIAPDZRIM-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N1 ZINC000667811780 544673570 /nfs/dbraw/zinc/67/35/70/544673570.db2.gz WDVWJBIAPDZRIM-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN1CCN(CCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351051 419902711 /nfs/dbraw/zinc/90/27/11/419902711.db2.gz GUADRLGORFHRDJ-FICVDOATSA-N 1 3 294.443 -0.014 20 0 CBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000649352951 419904054 /nfs/dbraw/zinc/90/40/54/419904054.db2.gz WROHEQWDCHBRRL-MJBXVCDLSA-N 1 3 280.416 -0.038 20 0 CBADHO CN1CCN(c2ccncc2NC(=O)COCC[NH3+])CC1 ZINC000649351560 419904408 /nfs/dbraw/zinc/90/44/08/419904408.db2.gz BDIKBVGETCRWMF-UHFFFAOYSA-N 1 3 293.371 -0.253 20 0 CBADHO C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)CN1CCN(C)CC1 ZINC000649351391 419904933 /nfs/dbraw/zinc/90/49/33/419904933.db2.gz TWKBOAODVQDQQX-ZDUSSCGKSA-N 1 3 298.431 -0.635 20 0 CBADHO CCN1CCC(NC(=O)CN2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410847 419909923 /nfs/dbraw/zinc/90/99/23/419909923.db2.gz YIJXFNLNDHOOJR-OCCSQVGLSA-N 1 3 298.431 -0.365 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358674013 419911954 /nfs/dbraw/zinc/91/19/54/419911954.db2.gz BNRJJRQEHGOQMH-GUTXKFCHSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358674013 419911962 /nfs/dbraw/zinc/91/19/62/419911962.db2.gz BNRJJRQEHGOQMH-GUTXKFCHSA-N 1 3 296.415 -0.021 20 0 CBADHO CC[C@@]1(C(=O)N2CCOC3(CNC3)C2)CCC[NH2+]1 ZINC000664727636 419915097 /nfs/dbraw/zinc/91/50/97/419915097.db2.gz MUNQNSOIVNVUPI-ZDUSSCGKSA-N 1 3 253.346 -0.281 20 0 CBADHO COCC[NH2+]CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000669402985 544749472 /nfs/dbraw/zinc/74/94/72/544749472.db2.gz DAEXYIZNPHFXIC-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669452004 544749610 /nfs/dbraw/zinc/74/96/10/544749610.db2.gz NSHMUDYZHVKHDK-CHWSQXEVSA-N 1 3 284.404 -0.042 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 ZINC000669491116 544750685 /nfs/dbraw/zinc/75/06/85/544750685.db2.gz MJBCDUVREGBCEK-CHWSQXEVSA-N 1 3 282.388 -0.160 20 0 CBADHO CC1(C)CNCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000669512405 544750728 /nfs/dbraw/zinc/75/07/28/544750728.db2.gz PKEDNVUNKSMUPJ-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669473249 544750747 /nfs/dbraw/zinc/75/07/47/544750747.db2.gz ZHEZNXVQDQJWFG-MNOVXSKESA-N 1 3 258.366 -0.256 20 0 CBADHO CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000669512575 544751052 /nfs/dbraw/zinc/75/10/52/544751052.db2.gz FDUZYRVFWJKQRN-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491143 544751150 /nfs/dbraw/zinc/75/11/50/544751150.db2.gz NDNIAAZACBUSEU-OLZOCXBDSA-N 1 3 282.388 -0.242 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491143 544751153 /nfs/dbraw/zinc/75/11/53/544751153.db2.gz NDNIAAZACBUSEU-OLZOCXBDSA-N 1 3 282.388 -0.242 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CCN2)CCO1 ZINC000669512838 544752132 /nfs/dbraw/zinc/75/21/32/544752132.db2.gz ZRGQXQUYUCMWTJ-WYUUTHIRSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CN1C1CC1 ZINC000669524696 544752624 /nfs/dbraw/zinc/75/26/24/544752624.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 1 3 295.431 -0.104 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000669927725 544768541 /nfs/dbraw/zinc/76/85/41/544768541.db2.gz HSGHXSKKBOQHCO-CHWSQXEVSA-N 1 3 266.389 -0.698 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294667 419937509 /nfs/dbraw/zinc/93/75/09/419937509.db2.gz TZFMNQPEUCBGBZ-WCBMZHEXSA-N 1 3 251.334 -0.272 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCC[C@H]1CN)S(C)(=O)=O ZINC000665230992 419938876 /nfs/dbraw/zinc/93/88/76/419938876.db2.gz ZVPYGCBQMDKENE-WDEREUQCSA-N 1 3 263.407 -0.015 20 0 CBADHO CCC[C@@H]1CNCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000359227167 419952027 /nfs/dbraw/zinc/95/20/27/419952027.db2.gz VHWSSFRCROPDMA-YPMHNXCESA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CCC(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359306556 419956939 /nfs/dbraw/zinc/95/69/39/419956939.db2.gz MMXWEXRUDFFRBD-STQMWFEESA-N 1 3 280.416 -0.262 20 0 CBADHO CC[N@H+](CCNC(=O)C(=O)N(C)CCN(C)C)C1CC1 ZINC000359291037 419957261 /nfs/dbraw/zinc/95/72/61/419957261.db2.gz QKKXPTQIGAGEQT-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@@H+](CCNC(=O)C(=O)N(C)CCN(C)C)C1CC1 ZINC000359291037 419957267 /nfs/dbraw/zinc/95/72/67/419957267.db2.gz QKKXPTQIGAGEQT-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000650725216 419966730 /nfs/dbraw/zinc/96/67/30/419966730.db2.gz VYIPXOBKNVOLIK-NWDGAFQWSA-N 1 3 255.362 -0.360 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](O)C2)C1 ZINC000650725216 419966734 /nfs/dbraw/zinc/96/67/34/419966734.db2.gz VYIPXOBKNVOLIK-NWDGAFQWSA-N 1 3 255.362 -0.360 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000360172168 420007825 /nfs/dbraw/zinc/00/78/25/420007825.db2.gz RTLOZICRKQXAEX-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000360172168 420007829 /nfs/dbraw/zinc/00/78/29/420007829.db2.gz RTLOZICRKQXAEX-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO COCCNCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364196917 420030884 /nfs/dbraw/zinc/03/08/84/420030884.db2.gz QQZMXEVRCZAMOE-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO COCCNCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364196915 420031565 /nfs/dbraw/zinc/03/15/65/420031565.db2.gz QQZMXEVRCZAMOE-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](C)C1 ZINC000364214869 420031791 /nfs/dbraw/zinc/03/17/91/420031791.db2.gz MPFABAJCRQHCAK-YVECIDJPSA-N 1 3 269.389 -0.054 20 0 CBADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1CNCCO1 ZINC000652223358 420052853 /nfs/dbraw/zinc/05/28/53/420052853.db2.gz DESYAVZXAXXPDR-LBPRGKRZSA-N 1 3 270.377 -0.336 20 0 CBADHO C[C@H]1CN(CCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000365320864 420061415 /nfs/dbraw/zinc/06/14/15/420061415.db2.gz OSAURQQLFGKNPN-XDQVBPFNSA-N 1 3 299.415 -0.285 20 0 CBADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCN(C2CC2)C1 ZINC000653117129 420118400 /nfs/dbraw/zinc/11/84/00/420118400.db2.gz AMXHAPOYZXQDAN-CHWSQXEVSA-N 1 3 268.405 -0.040 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000653117925 420118512 /nfs/dbraw/zinc/11/85/12/420118512.db2.gz ZPPBFKHMJXYPAB-QWHCGFSZSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N(C)C1CC1 ZINC000653116707 420118893 /nfs/dbraw/zinc/11/88/93/420118893.db2.gz PLPJSUFOPJTFJB-JQWIXIFHSA-N 1 3 256.394 -0.136 20 0 CBADHO C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1C1CC1 ZINC000653123748 420120525 /nfs/dbraw/zinc/12/05/25/420120525.db2.gz GAVLWSYINNVWLP-ASHKBJFXSA-N 1 3 279.384 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1C1CC1 ZINC000653123751 420120964 /nfs/dbraw/zinc/12/09/64/420120964.db2.gz GAVLWSYINNVWLP-ZAZJYDDPSA-N 1 3 279.384 -0.036 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653163227 420124179 /nfs/dbraw/zinc/12/41/79/420124179.db2.gz MUDRJLPTVMQGFJ-QJPTWQEYSA-N 1 3 253.346 -0.378 20 0 CBADHO COCC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]CC1 ZINC000368156736 420125219 /nfs/dbraw/zinc/12/52/19/420125219.db2.gz APQQVUOKCNYDBZ-QWRGUYRKSA-N 1 3 273.352 -0.181 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000368178212 420125610 /nfs/dbraw/zinc/12/56/10/420125610.db2.gz JQJQVXHWCSPTHR-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000368324125 420128934 /nfs/dbraw/zinc/12/89/34/420128934.db2.gz MZJZGIBJLJAGLG-LBPRGKRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CCO[C@@H]1CN(C(=O)COC2(C)CNC2)C[C@H]1C[NH3+] ZINC000653247694 420130154 /nfs/dbraw/zinc/13/01/54/420130154.db2.gz NMXADNMTCCWDPH-GHMZBOCLSA-N 1 3 271.361 -0.813 20 0 CBADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000368435116 420132195 /nfs/dbraw/zinc/13/21/95/420132195.db2.gz RADWFMNNHQXQGH-SDDRHHMPSA-N 1 3 255.362 -0.300 20 0 CBADHO CN(CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652675171 420070816 /nfs/dbraw/zinc/07/08/16/420070816.db2.gz PKFRKJCOJZYPPE-UHFFFAOYSA-N 1 3 282.388 -0.558 20 0 CBADHO CN(C)CCn1cc(NC(=O)NCC2C[NH2+]C2)cn1 ZINC000652612079 420071061 /nfs/dbraw/zinc/07/10/61/420071061.db2.gz HPPPQKDEDPGACE-UHFFFAOYSA-N 1 3 266.349 -0.214 20 0 CBADHO C[NH2+]CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000652612474 420071231 /nfs/dbraw/zinc/07/12/31/420071231.db2.gz SQPGSRAHTSIYPU-UHFFFAOYSA-N 1 3 254.338 -0.214 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652696061 420072112 /nfs/dbraw/zinc/07/21/12/420072112.db2.gz FOEITNDNVFYMIF-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714856 420077214 /nfs/dbraw/zinc/07/72/14/420077214.db2.gz TWQHNROESVLJCN-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713844 420077348 /nfs/dbraw/zinc/07/73/48/420077348.db2.gz YHBZYXRZHULIHG-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000652731502 420080082 /nfs/dbraw/zinc/08/00/82/420080082.db2.gz MDXMUQKXRZVFON-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO CN(C)CCN1CCN(C(=O)C2CC[NH+](C)CC2)CC1=O ZINC000652735838 420080635 /nfs/dbraw/zinc/08/06/35/420080635.db2.gz VJLQHICJRVIAOF-UHFFFAOYSA-N 1 3 296.415 -0.439 20 0 CBADHO O=C(C[C@@H]1CSCCN1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558621 420088310 /nfs/dbraw/zinc/08/83/10/420088310.db2.gz WIGSKSKQKJITLE-LPEHRKFASA-N 1 3 261.366 -0.102 20 0 CBADHO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000654657293 420189884 /nfs/dbraw/zinc/18/98/84/420189884.db2.gz IICOAFDSFIACOU-LBPRGKRZSA-N 1 3 268.405 -0.167 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654664813 420190855 /nfs/dbraw/zinc/19/08/55/420190855.db2.gz VLPPZVXNEGYPDL-RFQIPJPRSA-N 1 3 296.415 -0.213 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000375252756 420192363 /nfs/dbraw/zinc/19/23/63/420192363.db2.gz MGOXHRDZQIKFPH-BXUZGUMPSA-N 1 3 277.372 0.383 20 0 CBADHO C[NH+](C)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CNCCO2)C1 ZINC000388502742 420204190 /nfs/dbraw/zinc/20/41/90/420204190.db2.gz HPACNBVQCDCKHO-RYUDHWBXSA-N 1 3 291.417 -0.669 20 0 CBADHO CC[C@H](N)c1cn(C[C@H](O)C[N@H+](C)CCOC)nn1 ZINC000388776460 420205602 /nfs/dbraw/zinc/20/56/02/420205602.db2.gz MPJAQGATCMHSNM-MNOVXSKESA-N 1 3 271.365 -0.373 20 0 CBADHO CC[C@H](N)c1cn(C[C@H](O)C[N@@H+](C)CCOC)nn1 ZINC000388776460 420205606 /nfs/dbraw/zinc/20/56/06/420205606.db2.gz MPJAQGATCMHSNM-MNOVXSKESA-N 1 3 271.365 -0.373 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654408728 420178621 /nfs/dbraw/zinc/17/86/21/420178621.db2.gz GASJZPIMMAZDAJ-RWMBFGLXSA-N 1 3 284.404 -0.213 20 0 CBADHO COCCN(C)C[C@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405075885 420225858 /nfs/dbraw/zinc/22/58/58/420225858.db2.gz JPABICXJVCOPKO-OLZOCXBDSA-N 1 3 297.403 -0.316 20 0 CBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000404765652 420227186 /nfs/dbraw/zinc/22/71/86/420227186.db2.gz MFDQHCQGQSGHMX-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(C)[C@H]([NH2+]CCC(=O)N2CCOCC2)C[C@@H]1N ZINC000404765655 420227459 /nfs/dbraw/zinc/22/74/59/420227459.db2.gz MFDQHCQGQSGHMX-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415209410 420239929 /nfs/dbraw/zinc/23/99/29/420239929.db2.gz GUEZIRQSGLAOIW-NSHDSACASA-N 1 3 282.392 0.550 20 0 CBADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000417828022 420242305 /nfs/dbraw/zinc/24/23/05/420242305.db2.gz FAXRAHURRYYHTC-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419107307 420242916 /nfs/dbraw/zinc/24/29/16/420242916.db2.gz PMJYXMAPYXKBRD-GHMZBOCLSA-N 1 3 282.388 -0.417 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418936849 420243369 /nfs/dbraw/zinc/24/33/69/420243369.db2.gz KLGUYPVXWSPIMX-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419018928 420244055 /nfs/dbraw/zinc/24/40/55/420244055.db2.gz CWJSEIRSCAHGGD-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419692761 420244737 /nfs/dbraw/zinc/24/47/37/420244737.db2.gz HFHZYSUGKVLRCS-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987128 420247070 /nfs/dbraw/zinc/24/70/70/420247070.db2.gz CYJXUGFZEPWYOE-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419962052 420247291 /nfs/dbraw/zinc/24/72/91/420247291.db2.gz UUDCCMUJNYIGCF-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000422972990 420255832 /nfs/dbraw/zinc/25/58/32/420255832.db2.gz NJSQPEVSPQMDLB-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO [NH3+]C[C@H](NC(=O)CNC[C@H]1CCCO1)C(F)(F)F ZINC000655505286 420259766 /nfs/dbraw/zinc/25/97/66/420259766.db2.gz VHUXIRDZGMNBSD-SFYZADRCSA-N 1 3 269.267 -0.239 20 0 CBADHO COC[C@@]1(C(=O)N[C@@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655518657 420262366 /nfs/dbraw/zinc/26/23/66/420262366.db2.gz JBUKFESAOPYIAK-IONNQARKSA-N 1 3 269.267 -0.382 20 0 CBADHO CC(C)[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430871500 420272516 /nfs/dbraw/zinc/27/25/16/420272516.db2.gz XXUAGMXGIBYDLE-LLVKDONJSA-N 1 3 253.350 0.367 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916740 420275679 /nfs/dbraw/zinc/27/56/79/420275679.db2.gz HMLFQJBUNWXJHH-DTWKUNHWSA-N 1 3 298.309 -0.104 20 0 CBADHO CN1CCC(O)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655921432 420278447 /nfs/dbraw/zinc/27/84/47/420278447.db2.gz WXNFQIJNPSKWIL-QMMMGPOBSA-N 1 3 298.309 -0.368 20 0 CBADHO CN1CCC(O)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655921431 420278554 /nfs/dbraw/zinc/27/85/54/420278554.db2.gz WXNFQIJNPSKWIL-MRVPVSSYSA-N 1 3 298.309 -0.368 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963072 420282027 /nfs/dbraw/zinc/28/20/27/420282027.db2.gz GCRKGXIDHVYGAM-IGQOVBAYSA-N 1 3 296.415 -0.036 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963071 420282077 /nfs/dbraw/zinc/28/20/77/420282077.db2.gz GCRKGXIDHVYGAM-FQUUOJAGSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963262 420282608 /nfs/dbraw/zinc/28/26/08/420282608.db2.gz MWJIDQIKMUYCJE-GARJFASQSA-N 1 3 256.350 -0.958 20 0 CBADHO CC(C)([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963224 420283033 /nfs/dbraw/zinc/28/30/33/420283033.db2.gz LWTWEGCYOFCAMJ-VHSXEESVSA-N 1 3 256.350 -0.816 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963192 420283411 /nfs/dbraw/zinc/28/34/11/420283411.db2.gz KZBZVRZBZFBGBR-RWMBFGLXSA-N 1 3 284.404 -0.180 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963900 420283621 /nfs/dbraw/zinc/28/36/21/420283621.db2.gz UDTDIVGNWSNRKB-FRRDWIJNSA-N 1 3 284.404 -0.036 20 0 CBADHO [NH3+][C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655965345 420283917 /nfs/dbraw/zinc/28/39/17/420283917.db2.gz RXXYTPMFRXXVFZ-TUAOUCFPSA-N 1 3 268.361 -0.816 20 0 CBADHO COCC[N@H+](C)C[C@@H](O)CNCCc1cncc(C)n1 ZINC000656717410 420319944 /nfs/dbraw/zinc/31/99/44/420319944.db2.gz WIOQIAYSPPFTMK-AWEZNQCLSA-N 1 3 282.388 -0.144 20 0 CBADHO COCC[N@@H+](C)C[C@@H](O)CNCCc1cncc(C)n1 ZINC000656717410 420319947 /nfs/dbraw/zinc/31/99/47/420319947.db2.gz WIOQIAYSPPFTMK-AWEZNQCLSA-N 1 3 282.388 -0.144 20 0 CBADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C ZINC000516761405 420363601 /nfs/dbraw/zinc/36/36/01/420363601.db2.gz DAWMPJFTTQBEHZ-STQMWFEESA-N 1 3 258.410 -0.866 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)CN1CCN(C)CC1 ZINC000509337680 420357870 /nfs/dbraw/zinc/35/78/70/420357870.db2.gz KTROCPHSLZQNCQ-MJBXVCDLSA-N 1 3 298.431 -0.508 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656021707 420293004 /nfs/dbraw/zinc/29/30/04/420293004.db2.gz HFWZGZQFBSGFJG-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000656024769 420293612 /nfs/dbraw/zinc/29/36/12/420293612.db2.gz QFQFHGWOUUOMHR-WCQGTBRESA-N 1 3 282.388 -0.704 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656021608 420293738 /nfs/dbraw/zinc/29/37/38/420293738.db2.gz CYGZRVHKSIRYHT-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022962 420293961 /nfs/dbraw/zinc/29/39/61/420293961.db2.gz PUSDIRLGGXFYLB-CHWSQXEVSA-N 1 3 294.399 -0.545 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022001 420294015 /nfs/dbraw/zinc/29/40/15/420294015.db2.gz RHBDHGWGYHAGJZ-TUAOUCFPSA-N 1 3 282.388 -0.417 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000656043070 420294451 /nfs/dbraw/zinc/29/44/51/420294451.db2.gz YLQAQGDKXSQAOW-TXEJJXNPSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656028451 420294969 /nfs/dbraw/zinc/29/49/69/420294969.db2.gz LFUWPVUAOZWIRU-AGIUHOORSA-N 1 3 296.415 -0.075 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028503 420295415 /nfs/dbraw/zinc/29/54/15/420295415.db2.gz LXEKPCQESZATBP-JHJVBQTASA-N 1 3 294.399 -0.321 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656028060 420295488 /nfs/dbraw/zinc/29/54/88/420295488.db2.gz IBGQHDGKBNBTEI-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000517570252 420377285 /nfs/dbraw/zinc/37/72/85/420377285.db2.gz VMDXBBXMSPFEOF-UMNHJUIQSA-N 1 3 270.377 -0.800 20 0 CBADHO C[C@@H](CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000519387564 420381380 /nfs/dbraw/zinc/38/13/80/420381380.db2.gz LMKXLTWVFVUWFN-FQUUOJAGSA-N 1 3 273.421 -0.004 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000519654810 420385980 /nfs/dbraw/zinc/38/59/80/420385980.db2.gz VWRQQBMAUMHLLX-RYUDHWBXSA-N 1 3 253.346 -0.282 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000659461154 420421739 /nfs/dbraw/zinc/42/17/39/420421739.db2.gz XFHRJMXYRRKUNF-STQMWFEESA-N 1 3 285.436 -0.223 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659457277 420421959 /nfs/dbraw/zinc/42/19/59/420421959.db2.gz DIFHUUUXULWPSA-LXVYMNJGSA-N 1 3 282.388 -0.242 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCCN(C)CCCOC ZINC000659458990 420422294 /nfs/dbraw/zinc/42/22/94/420422294.db2.gz BLMVWPURVJCIEO-LLVKDONJSA-N 1 3 260.382 -0.138 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCC[NH2+]C2CC2)n1 ZINC000659506288 420424200 /nfs/dbraw/zinc/42/42/00/420424200.db2.gz OEHADVZURBKXNY-UHFFFAOYSA-N 1 3 294.359 -0.418 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCOC2(CNC2)C1 ZINC000659612842 420437095 /nfs/dbraw/zinc/43/70/95/420437095.db2.gz XDRSSCVDATXBHV-UHFFFAOYSA-N 1 3 266.345 -0.878 20 0 CBADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000376652506 230257116 /nfs/dbraw/zinc/25/71/16/230257116.db2.gz RADWFMNNHQXQGH-QJPTWQEYSA-N 1 3 255.362 -0.300 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659523723 420428701 /nfs/dbraw/zinc/42/87/01/420428701.db2.gz NMLBGNVYUGXRBH-VIFPVBQESA-N 1 3 296.375 -0.042 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659527914 420429153 /nfs/dbraw/zinc/42/91/53/420429153.db2.gz YAUMLOJDBYHMOP-LLVKDONJSA-N 1 3 287.408 -0.757 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH3+])CCC1 ZINC000659528951 420429665 /nfs/dbraw/zinc/42/96/65/420429665.db2.gz GQSUJYBPJHACFP-UHFFFAOYSA-N 1 3 299.419 -0.471 20 0 CBADHO COCCNCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659528869 420430176 /nfs/dbraw/zinc/43/01/76/420430176.db2.gz VDIFWMMTXBYVLS-UHFFFAOYSA-N 1 3 256.350 -0.726 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000659537956 420431529 /nfs/dbraw/zinc/43/15/29/420431529.db2.gz MYVKVUTYBFEQGQ-DTWKUNHWSA-N 1 3 294.359 -0.290 20 0 CBADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CNCCO1 ZINC000659555232 420433155 /nfs/dbraw/zinc/43/31/55/420433155.db2.gz PFDGCOZWZPFLFO-YZRBJQDESA-N 1 3 254.334 -0.893 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CNCCO1 ZINC000659556547 420433714 /nfs/dbraw/zinc/43/37/14/420433714.db2.gz ZAXSPJRGODCPTH-GHMZBOCLSA-N 1 3 258.366 -0.353 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834141 545040794 /nfs/dbraw/zinc/04/07/94/545040794.db2.gz BJKJNZPJAMNHAZ-DZGCQCFKSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834141 545040795 /nfs/dbraw/zinc/04/07/95/545040795.db2.gz BJKJNZPJAMNHAZ-DZGCQCFKSA-N 1 3 296.415 -0.164 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000659552929 420433765 /nfs/dbraw/zinc/43/37/65/420433765.db2.gz GWEUOEOVIFGOPE-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000659552929 420433768 /nfs/dbraw/zinc/43/37/68/420433768.db2.gz GWEUOEOVIFGOPE-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000659754288 420468106 /nfs/dbraw/zinc/46/81/06/420468106.db2.gz DFQFLOVGUYQTPZ-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000659752638 420468499 /nfs/dbraw/zinc/46/84/99/420468499.db2.gz KVKFOPUXLQRXRC-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000659755220 420469580 /nfs/dbraw/zinc/46/95/80/420469580.db2.gz JLJWJVWYAVGLAZ-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659609993 420437791 /nfs/dbraw/zinc/43/77/91/420437791.db2.gz FUWSAQSJARAZLG-MRFPXMQZSA-N 1 3 280.372 -0.801 20 0 CBADHO CN(C)C[C@@](C)(O)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615485 420439255 /nfs/dbraw/zinc/43/92/55/420439255.db2.gz BLTBHEGHPRDTAF-YDGIUTOCSA-N 1 3 270.377 -0.650 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000659639050 420441304 /nfs/dbraw/zinc/44/13/04/420441304.db2.gz JINMSPMXOJKFJF-OLZOCXBDSA-N 1 3 285.436 -0.081 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659636244 420441778 /nfs/dbraw/zinc/44/17/78/420441778.db2.gz OHVUOWUDKAZLPP-LLVKDONJSA-N 1 3 287.408 -0.744 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000659648564 420443663 /nfs/dbraw/zinc/44/36/63/420443663.db2.gz TXLWTFYWAIXLCF-JTQLQIEISA-N 1 3 258.366 -0.650 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N(CCOC)CCN(C)C ZINC000659643003 420443722 /nfs/dbraw/zinc/44/37/22/420443722.db2.gz HINWCLVKOUSLQE-NSHDSACASA-N 1 3 260.382 -0.186 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659675454 420446748 /nfs/dbraw/zinc/44/67/48/420446748.db2.gz VBZYJSWOJVZNFK-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1C ZINC000659677666 420447960 /nfs/dbraw/zinc/44/79/60/420447960.db2.gz GUQKGFMDOPWMGG-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659677645 420448004 /nfs/dbraw/zinc/44/80/04/420448004.db2.gz GLSJREAZQJUQAP-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000659699524 420452018 /nfs/dbraw/zinc/45/20/18/420452018.db2.gz WIXCFAMYRQQDGV-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659704342 420452563 /nfs/dbraw/zinc/45/25/63/420452563.db2.gz KJLDWITVKLBMDW-PWSUYJOCSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659706049 420453138 /nfs/dbraw/zinc/45/31/38/420453138.db2.gz FBIVHZPUEOTBHT-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000659708220 420453711 /nfs/dbraw/zinc/45/37/11/420453711.db2.gz PYDWPSJYBLWANE-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709269 420454349 /nfs/dbraw/zinc/45/43/49/420454349.db2.gz GMMMKCZGUFOFAE-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000659709652 420454457 /nfs/dbraw/zinc/45/44/57/420454457.db2.gz JRBFHMPKDJNZTD-SECBINFHSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659711777 420455019 /nfs/dbraw/zinc/45/50/19/420455019.db2.gz ASJLCKVFPKCBEU-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659710057 420455030 /nfs/dbraw/zinc/45/50/30/420455030.db2.gz LKTGPMPPEWMUHM-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659710511 420455059 /nfs/dbraw/zinc/45/50/59/420455059.db2.gz ROZYIDPMKDTNNG-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO NCCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659710371 420455084 /nfs/dbraw/zinc/45/50/84/420455084.db2.gz QUKOILHEDMVNPN-UHFFFAOYSA-N 1 3 282.388 -0.701 20 0 CBADHO Nc1ncc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000572000758 420455479 /nfs/dbraw/zinc/45/54/79/420455479.db2.gz QDMZTNCXICPGNS-VIFPVBQESA-N 1 3 283.401 0.012 20 0 CBADHO Nc1ncc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000572000755 420455628 /nfs/dbraw/zinc/45/56/28/420455628.db2.gz QDMZTNCXICPGNS-SECBINFHSA-N 1 3 283.401 0.012 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659718213 420457673 /nfs/dbraw/zinc/45/76/73/420457673.db2.gz MRXPAXKYQXUZLG-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000659718022 420457795 /nfs/dbraw/zinc/45/77/95/420457795.db2.gz LKECKIRAJIJQLN-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659717503 420458070 /nfs/dbraw/zinc/45/80/70/420458070.db2.gz HZTOQQIQGZDDGY-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720865 420459571 /nfs/dbraw/zinc/45/95/71/420459571.db2.gz FXLNHBOFOKGJOB-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)n1 ZINC000574574992 420460744 /nfs/dbraw/zinc/46/07/44/420460744.db2.gz KDVZKVBOCMSBHM-ZDUSSCGKSA-N 1 3 265.361 0.525 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000659731469 420461085 /nfs/dbraw/zinc/46/10/85/420461085.db2.gz HICQLBWHNLMLKO-STQMWFEESA-N 1 3 294.399 -0.449 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000659729691 420461355 /nfs/dbraw/zinc/46/13/55/420461355.db2.gz TUMCILMMKIHNCS-TUAOUCFPSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659738161 420463264 /nfs/dbraw/zinc/46/32/64/420463264.db2.gz AULKNIXDFWQWIK-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659738510 420463413 /nfs/dbraw/zinc/46/34/13/420463413.db2.gz FGAMJZCUDBYXJR-MQYJIDSJSA-N 1 3 294.399 -0.545 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000659738290 420463576 /nfs/dbraw/zinc/46/35/76/420463576.db2.gz DHIJTGZELJVVQH-XQQFMLRXSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)C1 ZINC000659738304 420463701 /nfs/dbraw/zinc/46/37/01/420463701.db2.gz DMMIOZPRDLNDDE-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659738178 420463818 /nfs/dbraw/zinc/46/38/18/420463818.db2.gz BEEVMHMUEKHYQL-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000659739617 420464854 /nfs/dbraw/zinc/46/48/54/420464854.db2.gz XUDSXONZICERBV-ZDUSSCGKSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000659749506 420466437 /nfs/dbraw/zinc/46/64/37/420466437.db2.gz IFQWVFJXTAFNCN-LLVKDONJSA-N 1 3 272.393 -0.491 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659749015 420466443 /nfs/dbraw/zinc/46/64/43/420466443.db2.gz DIPBMIPXMAWUCD-UPJWGTAASA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380985 420489390 /nfs/dbraw/zinc/48/93/90/420489390.db2.gz IWHUWDQZVQQPAO-RWMBFGLXSA-N 1 3 262.394 -0.249 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380985 420489391 /nfs/dbraw/zinc/48/93/91/420489391.db2.gz IWHUWDQZVQQPAO-RWMBFGLXSA-N 1 3 262.394 -0.249 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCNCC1 ZINC000517738845 260000662 /nfs/dbraw/zinc/00/06/62/260000662.db2.gz FWNSAOXJHAQHNS-LLVKDONJSA-N 1 3 256.394 -0.358 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000518186063 260352093 /nfs/dbraw/zinc/35/20/93/260352093.db2.gz YGWHMQUJPWGRIR-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO CCN1CCC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000518497438 269599072 /nfs/dbraw/zinc/59/90/72/269599072.db2.gz XXSSUUXJIAWFLT-CHWSQXEVSA-N 1 3 283.420 -0.327 20 0 CBADHO COC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343995336 277264738 /nfs/dbraw/zinc/26/47/38/277264738.db2.gz YPAAMQCFTRONAG-ZNMIVQPWSA-N 1 3 285.432 -0.049 20 0 CBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419698564 277387741 /nfs/dbraw/zinc/38/77/41/277387741.db2.gz PUIBVYIDUDFUJA-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000333565176 278221165 /nfs/dbraw/zinc/22/11/65/278221165.db2.gz LVSUFIOFHQXKPW-WDEREUQCSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000418699118 278229751 /nfs/dbraw/zinc/22/97/51/278229751.db2.gz NSWWBSQLXWVKON-SRVKXCTJSA-N 1 3 272.393 -0.132 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419734798 279104954 /nfs/dbraw/zinc/10/49/54/279104954.db2.gz PLGQLAPJPUDZES-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423660607 279166228 /nfs/dbraw/zinc/16/62/28/279166228.db2.gz GJRQXVVRTMLBEF-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000419524846 279190646 /nfs/dbraw/zinc/19/06/46/279190646.db2.gz QLEYEAOKRGDFHM-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](C(N)=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370568 279240284 /nfs/dbraw/zinc/24/02/84/279240284.db2.gz RHZAOOBIHCVSNX-YPMHNXCESA-N 1 3 268.405 -0.040 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838005 279308079 /nfs/dbraw/zinc/30/80/79/279308079.db2.gz DUSYNTNSJNCURI-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357932598 288122785 /nfs/dbraw/zinc/12/27/85/288122785.db2.gz QKMZOZNJYHMRAW-HKWIRBFKSA-N 1 3 253.346 -0.692 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419885530 279499168 /nfs/dbraw/zinc/49/91/68/279499168.db2.gz HJIUSLJDBMRVQT-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000094460006 288303708 /nfs/dbraw/zinc/30/37/08/288303708.db2.gz YQOCELAMSDVQCB-WYUUTHIRSA-N 1 3 253.346 -0.596 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365333670 288311230 /nfs/dbraw/zinc/31/12/30/288311230.db2.gz YQOCELAMSDVQCB-NOOOWODRSA-N 1 3 253.346 -0.596 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418796249 282064213 /nfs/dbraw/zinc/06/42/13/282064213.db2.gz DOLPZCCLDQYAPI-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333830322 289037255 /nfs/dbraw/zinc/03/72/55/289037255.db2.gz MLSIMJOHJKOLAE-FRRDWIJNSA-N 1 3 284.404 -0.165 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423764962 289200803 /nfs/dbraw/zinc/20/08/03/289200803.db2.gz WIKCYYJHAPDHEE-VXGBXAGGSA-N 1 3 255.362 -0.083 20 0 CBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000337710181 289205582 /nfs/dbraw/zinc/20/55/82/289205582.db2.gz BEOHJOMJRVQVSE-FZMZJTMJSA-N 1 3 284.404 -0.165 20 0 CBADHO CN(C)S(=O)(=O)CCCN[C@](C)(C[NH3+])C1CC1 ZINC000430592537 289239872 /nfs/dbraw/zinc/23/98/72/289239872.db2.gz NCFAGLRHPBGXGW-LLVKDONJSA-N 1 3 263.407 -0.015 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418665854 289370494 /nfs/dbraw/zinc/37/04/94/289370494.db2.gz DAOCPRQVYXSAPN-NNYUYHANSA-N 1 3 252.362 -0.060 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000355250617 289467260 /nfs/dbraw/zinc/46/72/60/289467260.db2.gz DXFLKHJZILEJSB-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419422241 289560869 /nfs/dbraw/zinc/56/08/69/289560869.db2.gz MJBLARSBJVNACN-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331682989 295251905 /nfs/dbraw/zinc/25/19/05/295251905.db2.gz UJIWPUCHGMWWNV-XQQFMLRXSA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331682989 295251906 /nfs/dbraw/zinc/25/19/06/295251906.db2.gz UJIWPUCHGMWWNV-XQQFMLRXSA-N 1 3 294.399 -0.321 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419700614 295317879 /nfs/dbraw/zinc/31/78/79/295317879.db2.gz XUDSSVAZZRNEHG-NEPJUHHUSA-N 1 3 294.399 -0.321 20 0 CBADHO O=C(NCCNc1ccncc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418803684 295649648 /nfs/dbraw/zinc/64/96/48/295649648.db2.gz YUUQEFNEZULAAG-ZDUSSCGKSA-N 1 3 293.371 -0.407 20 0 CBADHO C[C@@H]1C[C@@H](C)N(C(=O)COC2CNC2)C[C@H]1C[NH3+] ZINC000424051308 297233624 /nfs/dbraw/zinc/23/36/24/297233624.db2.gz IZYBUFSOXLHLRG-GMTAPVOTSA-N 1 3 255.362 -0.193 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000333294659 297275023 /nfs/dbraw/zinc/27/50/23/297275023.db2.gz IDSAWHMVLODELS-WZRBSPASSA-N 1 3 282.388 -0.019 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419419927 298557489 /nfs/dbraw/zinc/55/74/89/298557489.db2.gz JILHMTVHXXZPQN-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868557 300225256 /nfs/dbraw/zinc/22/52/56/300225256.db2.gz QFRRDAWNTQQXIM-NWDGAFQWSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000362868557 300225258 /nfs/dbraw/zinc/22/52/58/300225258.db2.gz QFRRDAWNTQQXIM-NWDGAFQWSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333430221 300231594 /nfs/dbraw/zinc/23/15/94/300231594.db2.gz UKYMFWUVUNNATP-BQUFFADESA-N 1 3 282.388 -0.557 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368561131 303651765 /nfs/dbraw/zinc/65/17/65/303651765.db2.gz JZGAEQRMHZPWLV-JSGCOSHPSA-N 1 3 267.373 -0.033 20 0 CBADHO CN(CC1CCN(C)CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563207196 327964450 /nfs/dbraw/zinc/96/44/50/327964450.db2.gz NWVRSYPODAECFM-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CCN2C1=O ZINC000563451717 328066210 /nfs/dbraw/zinc/06/62/10/328066210.db2.gz MJTUVLCYPWNMCO-KXNHARMFSA-N 1 3 295.387 -0.933 20 0 CBADHO Cc1nccn1CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563444004 328067022 /nfs/dbraw/zinc/06/70/22/328067022.db2.gz ZYLIKEGNSQOBAZ-STQMWFEESA-N 1 3 277.372 -0.175 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000563455975 328067830 /nfs/dbraw/zinc/06/78/30/328067830.db2.gz BRSSBHIIIXGGGG-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000563597507 328076183 /nfs/dbraw/zinc/07/61/83/328076183.db2.gz XSKWOPKYIXYZCX-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000563597507 328076185 /nfs/dbraw/zinc/07/61/85/328076185.db2.gz XSKWOPKYIXYZCX-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000571149654 328088186 /nfs/dbraw/zinc/08/81/86/328088186.db2.gz MZDPUEWZLKNUGQ-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000571346062 328113618 /nfs/dbraw/zinc/11/36/18/328113618.db2.gz XLIKSQNLXHEDKR-NSHDSACASA-N 1 3 268.361 -0.935 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000571520744 328131677 /nfs/dbraw/zinc/13/16/77/328131677.db2.gz MSPNFEBTQMFVGD-VIFPVBQESA-N 1 3 259.350 -0.229 20 0 CBADHO C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000583497822 328584616 /nfs/dbraw/zinc/58/46/16/328584616.db2.gz JVBBVFDYBOENQS-MNOVXSKESA-N 1 3 255.362 -0.036 20 0 CBADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000584052467 326908459 /nfs/dbraw/zinc/90/84/59/326908459.db2.gz LLFGHCPRNMEMEJ-SECBINFHSA-N 1 3 294.321 -0.180 20 0 CBADHO CC1CCN(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000565727103 327001112 /nfs/dbraw/zinc/00/11/12/327001112.db2.gz CIVCFWNUCNHXJJ-STQMWFEESA-N 1 3 294.399 -0.511 20 0 CBADHO CC1CCN(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000565727103 327001113 /nfs/dbraw/zinc/00/11/13/327001113.db2.gz CIVCFWNUCNHXJJ-STQMWFEESA-N 1 3 294.399 -0.511 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000568750019 327013925 /nfs/dbraw/zinc/01/39/25/327013925.db2.gz RNHXUNLXXQPTME-RDBSUJKOSA-N 1 3 280.416 -0.275 20 0 CBADHO C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000564450267 327098041 /nfs/dbraw/zinc/09/80/41/327098041.db2.gz HCMNKUSUZYQDEG-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569342912 327099232 /nfs/dbraw/zinc/09/92/32/327099232.db2.gz NLBVQMYUYGZIJK-WDEREUQCSA-N 1 3 270.377 -0.430 20 0 CBADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N(C)C1CC1 ZINC000564653381 327159993 /nfs/dbraw/zinc/15/99/93/327159993.db2.gz VFDZJKGKYBYSGS-JTQLQIEISA-N 1 3 280.376 -0.161 20 0 CBADHO CCOC(=O)C1CCC(O)(C[NH2+]C[C@H](O)CNC)CC1 ZINC000569456490 327179755 /nfs/dbraw/zinc/17/97/55/327179755.db2.gz IQEICHKUHADIOR-MBHSVXNSSA-N 1 3 288.388 -0.359 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617732 327196558 /nfs/dbraw/zinc/19/65/58/327196558.db2.gz GDWISRMOSZQLHV-QWRGUYRKSA-N 1 3 280.372 -0.582 20 0 CBADHO NC(=O)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569576730 327200751 /nfs/dbraw/zinc/20/07/51/327200751.db2.gz CYDGAYZHMBRBDF-UWVGGRQHSA-N 1 3 254.334 -0.497 20 0 CBADHO C[C@H]1NCCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H]1C ZINC000569606196 327209767 /nfs/dbraw/zinc/20/97/67/327209767.db2.gz AMHLXGBODLIFPT-GHMZBOCLSA-N 1 3 280.376 -0.161 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COC3CNC3)C[C@H]21 ZINC000564950493 327256235 /nfs/dbraw/zinc/25/62/35/327256235.db2.gz FIEQQWAVOFIRPB-MVWJERBFSA-N 1 3 253.346 -0.439 20 0 CBADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)C[C@H](C)[NH2+]1 ZINC000564969600 327290148 /nfs/dbraw/zinc/29/01/48/327290148.db2.gz VEHYTKCJDCSYDA-XQQFMLRXSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CNC[C@H]1CCCO1 ZINC000574564605 327349172 /nfs/dbraw/zinc/34/91/72/327349172.db2.gz HWVRXCUBLWQSCN-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CNC[C@@H]1CCCO1 ZINC000574564608 327349495 /nfs/dbraw/zinc/34/94/95/327349495.db2.gz HWVRXCUBLWQSCN-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000561215561 327376219 /nfs/dbraw/zinc/37/62/19/327376219.db2.gz DFLHGBIZGLGONM-NSHDSACASA-N 1 3 271.409 -0.212 20 0 CBADHO CC1CCN(C[C@@H](O)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000579468604 327376408 /nfs/dbraw/zinc/37/64/08/327376408.db2.gz HAKGYVDBJNYQDQ-LBPRGKRZSA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCCN(C)C ZINC000569623091 327383674 /nfs/dbraw/zinc/38/36/74/327383674.db2.gz JPLDCIVYTUXZDQ-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566497212 327399587 /nfs/dbraw/zinc/39/95/87/327399587.db2.gz XZAWKCTVFFXOLV-YNEHKIRRSA-N 1 3 294.399 -0.369 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566497212 327399588 /nfs/dbraw/zinc/39/95/88/327399588.db2.gz XZAWKCTVFFXOLV-YNEHKIRRSA-N 1 3 294.399 -0.369 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000569695796 327536686 /nfs/dbraw/zinc/53/66/86/327536686.db2.gz LVYRIAIUMRHJEC-YPMHNXCESA-N 1 3 284.404 -0.327 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000569838258 327550800 /nfs/dbraw/zinc/55/08/00/327550800.db2.gz PONCMLQMHDQJEF-NSHDSACASA-N 1 3 253.302 -0.064 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000570580761 327601894 /nfs/dbraw/zinc/60/18/94/327601894.db2.gz DHUCDPKPTTYQNL-NEPJUHHUSA-N 1 3 256.394 -0.264 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CN1C1CC1 ZINC000582476367 329094712 /nfs/dbraw/zinc/09/47/12/329094712.db2.gz UDESODIIRFSHDQ-MBNYWOFBSA-N 1 3 295.431 -0.186 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582498346 329104185 /nfs/dbraw/zinc/10/41/85/329104185.db2.gz LEWNPXCXIJOLQY-NSHDSACASA-N 1 3 270.377 -0.737 20 0 CBADHO CNCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582545804 329105162 /nfs/dbraw/zinc/10/51/62/329105162.db2.gz IMUCFHJUMSKTMN-WCQYABFASA-N 1 3 255.362 -0.049 20 0 CBADHO CNCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582545805 329105299 /nfs/dbraw/zinc/10/52/99/329105299.db2.gz IMUCFHJUMSKTMN-YPMHNXCESA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000582894793 329282365 /nfs/dbraw/zinc/28/23/65/329282365.db2.gz POCXMSLSSWLTAH-MNOVXSKESA-N 1 3 255.366 -0.977 20 0 CBADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000583141780 329321413 /nfs/dbraw/zinc/32/14/13/329321413.db2.gz OTWZSLLKJDXKOQ-MJBXVCDLSA-N 1 3 280.416 -0.040 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000583202218 329361525 /nfs/dbraw/zinc/36/15/25/329361525.db2.gz HNLOKANVYCQAHC-IJLUTSLNSA-N 1 3 253.346 -0.425 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000583264194 329405757 /nfs/dbraw/zinc/40/57/57/329405757.db2.gz GOQOLLZBQOMIKC-DTWKUNHWSA-N 1 3 259.350 -0.244 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)CCC3CC[NH2+]CC3)CCN2C1=O ZINC000584480901 329500138 /nfs/dbraw/zinc/50/01/38/329500138.db2.gz SCPKJQDPUMXZRH-STQMWFEESA-N 1 3 294.399 -0.463 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000572485303 330740774 /nfs/dbraw/zinc/74/07/74/330740774.db2.gz OKFVTTCMHLTLMX-ZDDJMSTPSA-N 1 3 263.345 -0.590 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CCN2C1=O ZINC000575762804 335113140 /nfs/dbraw/zinc/11/31/40/335113140.db2.gz GWSRDKQZPUQWNY-FVCCEPFGSA-N 1 3 294.399 -0.336 20 0 CBADHO CN1CCN(C(=O)CCN2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000575803108 335116750 /nfs/dbraw/zinc/11/67/50/335116750.db2.gz DEUIRJUDYSBFCA-OAHLLOKOSA-N 1 3 280.416 -0.164 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@H](CO)CN1CCCCC1)C1CC1 ZINC000575988184 335138848 /nfs/dbraw/zinc/13/88/48/335138848.db2.gz AIPGDFRWJDEULA-DZGCQCFKSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@H](CO)CN1CCCCC1)C1CC1 ZINC000575988184 335138849 /nfs/dbraw/zinc/13/88/49/335138849.db2.gz AIPGDFRWJDEULA-DZGCQCFKSA-N 1 3 285.432 -0.122 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000576157919 335161977 /nfs/dbraw/zinc/16/19/77/335161977.db2.gz WGCLTCRECBHQRP-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000576160435 335162576 /nfs/dbraw/zinc/16/25/76/335162576.db2.gz HFMXKYIUGBRPIK-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000251595704 334365107 /nfs/dbraw/zinc/36/51/07/334365107.db2.gz FQQLVIBPVKWVSW-WDEREUQCSA-N 1 3 263.407 -0.145 20 0 CBADHO [NH3+]CC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000564655284 334514355 /nfs/dbraw/zinc/51/43/55/334514355.db2.gz HCRJJOBKTZPDKW-GFCCVEGCSA-N 1 3 255.362 -0.048 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000564840552 334523472 /nfs/dbraw/zinc/52/34/72/334523472.db2.gz QAEOZZGQNUVSOF-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO CCS(=O)(=O)NCCCNC[C@@]1(C)CC[NH2+]C1 ZINC000564971262 334531432 /nfs/dbraw/zinc/53/14/32/334531432.db2.gz UKPAUFGJOODCJL-LLVKDONJSA-N 1 3 263.407 -0.095 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)CCCC[NH3+] ZINC000564995919 334533374 /nfs/dbraw/zinc/53/33/74/334533374.db2.gz QDSFOPVPXXEGMI-PWSUYJOCSA-N 1 3 272.393 -0.280 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000565364874 334556519 /nfs/dbraw/zinc/55/65/19/334556519.db2.gz OJXQPKUYLUAQHM-MIZYBKAJSA-N 1 3 271.361 -0.230 20 0 CBADHO C[C@]1(CNC[C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229754 334637165 /nfs/dbraw/zinc/63/71/65/334637165.db2.gz MOAPDUFBLZMQRC-RYUDHWBXSA-N 1 3 275.418 -0.143 20 0 CBADHO CCCN(C(=O)[C@@H](N)CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000566237182 334637738 /nfs/dbraw/zinc/63/77/38/334637738.db2.gz MJTDNSNZQCCVSQ-MNOVXSKESA-N 1 3 271.361 -0.133 20 0 CBADHO CN(C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CC[NH2+]C1 ZINC000566796830 334664590 /nfs/dbraw/zinc/66/45/90/334664590.db2.gz OFXAYTQIUADPKP-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567063211 334677868 /nfs/dbraw/zinc/67/78/68/334677868.db2.gz RQHHZIJOGVTGGE-NWDGAFQWSA-N 1 3 297.403 -0.672 20 0 CBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000567109381 334681678 /nfs/dbraw/zinc/68/16/78/334681678.db2.gz CIUMMZPRQDWFHF-NWDGAFQWSA-N 1 3 255.362 -0.048 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000567908165 334774525 /nfs/dbraw/zinc/77/45/25/334774525.db2.gz ZEKKIZCVOBPBKU-NHCYSSNCSA-N 1 3 270.377 -0.718 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000567923071 334776103 /nfs/dbraw/zinc/77/61/03/334776103.db2.gz ZMMKZEWUYPKNPV-SNVBAGLBSA-N 1 3 257.334 -0.475 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)C3(C[NH3+])CCCC3)CCN2C1=O ZINC000568264936 334810227 /nfs/dbraw/zinc/81/02/27/334810227.db2.gz HRNQAPPRKPLROB-MNOVXSKESA-N 1 3 280.372 -0.724 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000568526333 334828920 /nfs/dbraw/zinc/82/89/20/334828920.db2.gz ALVKKSJVEJIYPR-FRRDWIJNSA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000568629020 334833539 /nfs/dbraw/zinc/83/35/39/334833539.db2.gz UHECXFIEPSASJG-UTUOFQBUSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000568629021 334833569 /nfs/dbraw/zinc/83/35/69/334833569.db2.gz UHECXFIEPSASJG-WOPDTQHZSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@H](NC1CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000568745787 334838577 /nfs/dbraw/zinc/83/85/77/334838577.db2.gz BLQDTJQHZWJCEU-NSHDSACASA-N 1 3 254.378 -0.462 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000569224957 334862213 /nfs/dbraw/zinc/86/22/13/334862213.db2.gz JCQPHWCYSJMSNV-VHSXEESVSA-N 1 3 266.349 -0.551 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000576585167 335222494 /nfs/dbraw/zinc/22/24/94/335222494.db2.gz RQGZPTVXZGUNJW-HUUCEWRRSA-N 1 3 285.432 -0.122 20 0 CBADHO C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000576634778 335228426 /nfs/dbraw/zinc/22/84/26/335228426.db2.gz HZBFJTWBSWQTIY-IJLUTSLNSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000576695125 335235567 /nfs/dbraw/zinc/23/55/67/335235567.db2.gz GKTOXJRNNXENBH-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000576826869 335252906 /nfs/dbraw/zinc/25/29/06/335252906.db2.gz UYVMHOFSEUMBHC-GVXVVHGQSA-N 1 3 282.388 -0.846 20 0 CBADHO COC[C@@]1(CNC(=O)[C@@H](N)CCSC)CCC[NH2+]1 ZINC000576873042 335255255 /nfs/dbraw/zinc/25/52/55/335255255.db2.gz YSKSNSVUBZXMAZ-JQWIXIFHSA-N 1 3 275.418 -0.048 20 0 CBADHO COC[C@]1(CNC(=O)[C@@H](N)CCSC)CCC[NH2+]1 ZINC000576873038 335258398 /nfs/dbraw/zinc/25/83/98/335258398.db2.gz YSKSNSVUBZXMAZ-CMPLNLGQSA-N 1 3 275.418 -0.048 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000576947046 335268125 /nfs/dbraw/zinc/26/81/25/335268125.db2.gz HNELDLFEYJXZJC-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CC1CC[NH+](CCCNC(=O)C(=O)NC2CNC2)CC1 ZINC000577085009 335297428 /nfs/dbraw/zinc/29/74/28/335297428.db2.gz SGJUYDYMUZNNJC-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000577200724 335321704 /nfs/dbraw/zinc/32/17/04/335321704.db2.gz WDDYFTFHNCFWIR-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+](C)C ZINC000577232148 335327760 /nfs/dbraw/zinc/32/77/60/335327760.db2.gz XBTOBGWYDVHWFG-SDDRHHMPSA-N 1 3 282.388 -0.657 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CSCCN2)[C@H](C[NH3+])C1 ZINC000577371416 335342054 /nfs/dbraw/zinc/34/20/54/335342054.db2.gz BAJSVWQMNDXRLF-GHMZBOCLSA-N 1 3 272.418 -0.817 20 0 CBADHO CC1(C)CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCN1 ZINC000577372890 335344079 /nfs/dbraw/zinc/34/40/79/335344079.db2.gz YCQQLCLVWMFKCC-NSHDSACASA-N 1 3 292.387 -0.146 20 0 CBADHO O=C(CCOC1CNC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000577374985 335344444 /nfs/dbraw/zinc/34/44/44/335344444.db2.gz NYWUSSAQCQDDHW-NSHDSACASA-N 1 3 253.346 -0.282 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000577740972 335395143 /nfs/dbraw/zinc/39/51/43/335395143.db2.gz LOUMVFYLQIESON-QJPTWQEYSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000577740972 335395145 /nfs/dbraw/zinc/39/51/45/335395145.db2.gz LOUMVFYLQIESON-QJPTWQEYSA-N 1 3 255.362 -0.097 20 0 CBADHO COCCNCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577868678 335414925 /nfs/dbraw/zinc/41/49/25/335414925.db2.gz GSSBWELBKQJYLG-DZGCQCFKSA-N 1 3 299.415 -0.033 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000577964493 335441413 /nfs/dbraw/zinc/44/14/13/335441413.db2.gz NTJRVMNONSAZDV-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO O=C(CNC1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578766219 335672399 /nfs/dbraw/zinc/67/23/99/335672399.db2.gz HAOHECVUMVYVRB-LBPRGKRZSA-N 1 3 252.362 -0.756 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578889597 335686337 /nfs/dbraw/zinc/68/63/37/335686337.db2.gz RJONXGDTZNGZJA-IUCAKERBSA-N 1 3 279.348 -0.849 20 0 CBADHO NC[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000578986650 335696140 /nfs/dbraw/zinc/69/61/40/335696140.db2.gz MEWBAZQXTXUKQN-STQMWFEESA-N 1 3 263.341 -0.085 20 0 CBADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579252864 335728248 /nfs/dbraw/zinc/72/82/48/335728248.db2.gz GOEKERHVEMNNAA-FJJYHAOUSA-N 1 3 294.399 -0.336 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000579468603 335765727 /nfs/dbraw/zinc/76/57/27/335765727.db2.gz HAKGYVDBJNYQDQ-GFCCVEGCSA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC[NH2+]1 ZINC000581381123 336065874 /nfs/dbraw/zinc/06/58/74/336065874.db2.gz 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528085820 /nfs/dbraw/zinc/08/58/20/528085820.db2.gz JLLVBIFZTDLEJO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN(CC)CC(=O)N1CCN(CCOCC[NH3+])CC1 ZINC000357077712 535489843 /nfs/dbraw/zinc/48/98/43/535489843.db2.gz PZVYELFNVIDJEM-UHFFFAOYSA-N 1 3 286.420 -0.552 20 0 CBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)CN(C)C ZINC000356506765 535852294 /nfs/dbraw/zinc/85/22/94/535852294.db2.gz PGSJPWQWMCKDJO-UHFFFAOYSA-N 1 3 258.410 -0.110 20 0 CBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN(C)C ZINC000356506765 535852295 /nfs/dbraw/zinc/85/22/95/535852295.db2.gz PGSJPWQWMCKDJO-UHFFFAOYSA-N 1 3 258.410 -0.110 20 0 CBADHO CN(C)CC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000356506765 535852302 /nfs/dbraw/zinc/85/23/02/535852302.db2.gz PGSJPWQWMCKDJO-UHFFFAOYSA-N 1 3 258.410 -0.110 20 0 CBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357338038 535877545 /nfs/dbraw/zinc/87/75/45/535877545.db2.gz VJYKBIWTPCMZQD-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO Cc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000123397494 582119233 /nfs/dbraw/zinc/11/92/33/582119233.db2.gz QEHQTBXZRWDTAG-UHFFFAOYSA-N 1 3 269.349 -0.057 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000131958116 582123636 /nfs/dbraw/zinc/12/36/36/582123636.db2.gz XTEIRYQVBRXICV-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000300072192 582130305 /nfs/dbraw/zinc/13/03/05/582130305.db2.gz KSPAEKJXLRDOKD-SRVKXCTJSA-N 1 3 271.361 -0.670 20 0 CBADHO CN(C)CCOCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000394118061 582131801 /nfs/dbraw/zinc/13/18/01/582131801.db2.gz UMGXMMJITYAORV-UHFFFAOYSA-N 1 3 293.433 -0.422 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc[n+]([O-])cc1 ZINC000734126325 582167924 /nfs/dbraw/zinc/16/79/24/582167924.db2.gz AMQSQGWYPUPIEQ-UHFFFAOYSA-N 1 3 280.372 -0.115 20 0 CBADHO COCCONC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000789349809 582388127 /nfs/dbraw/zinc/38/81/27/582388127.db2.gz UFWCAKJEPVOKAL-UHFFFAOYSA-N 1 3 276.381 -0.301 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCCCCCC[NH3+])C1 ZINC000831274351 582973752 /nfs/dbraw/zinc/97/37/52/582973752.db2.gz ITHGMUQWXMGECV-CYBMUJFWSA-N 1 3 272.393 -0.129 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1CNCCO1 ZINC000831970730 583008891 /nfs/dbraw/zinc/00/88/91/583008891.db2.gz KUCXUNRHVAACBF-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)C[C@H]1CNCCO1 ZINC000831970730 583008893 /nfs/dbraw/zinc/00/88/93/583008893.db2.gz KUCXUNRHVAACBF-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971337 583009397 /nfs/dbraw/zinc/00/93/97/583009397.db2.gz VJMODBRMISEUCI-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971337 583009399 /nfs/dbraw/zinc/00/93/99/583009399.db2.gz VJMODBRMISEUCI-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000832554725 583029887 /nfs/dbraw/zinc/02/98/87/583029887.db2.gz RAVVPAAZMZPYJB-VIFPVBQESA-N 1 3 263.345 -0.121 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000832770667 583046799 /nfs/dbraw/zinc/04/67/99/583046799.db2.gz ZWQXSMZMDQCLCQ-VIFPVBQESA-N 1 3 251.334 -0.232 20 0 CBADHO [NH3+]CCOCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000834765040 583135617 /nfs/dbraw/zinc/13/56/17/583135617.db2.gz PZCUEPWHDGFQOQ-CYBMUJFWSA-N 1 3 263.341 -0.035 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000834861183 583138016 /nfs/dbraw/zinc/13/80/16/583138016.db2.gz GGSAWCNUKYFPQD-DTWKUNHWSA-N 1 3 263.345 -0.087 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@H]1CCC[NH2+]C1 ZINC000841790756 583174610 /nfs/dbraw/zinc/17/46/10/583174610.db2.gz JDIBMNFFJJBZMD-AVGNSLFASA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@]1(F)CC[NH2+]C1 ZINC000841852266 583175277 /nfs/dbraw/zinc/17/52/77/583175277.db2.gz ISOJHXGVASZJFG-APPZFPTMSA-N 1 3 251.252 -0.199 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842014263 583177817 /nfs/dbraw/zinc/17/78/17/583177817.db2.gz BDROXBYRMMWZBT-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CC[NH3+])N1CCCCC1 ZINC000842015419 583178120 /nfs/dbraw/zinc/17/81/20/583178120.db2.gz LCENHMUYXDGWQQ-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CCCCC1 ZINC000842016016 583178130 /nfs/dbraw/zinc/17/81/30/583178130.db2.gz QMERSUUDOKSACG-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C(=O)c1[nH]nc2c1CNCC2)[C@@H](C[NH3+])C1CC1 ZINC000842509590 583184737 /nfs/dbraw/zinc/18/47/37/583184737.db2.gz GHQWBILONXXXBZ-NSHDSACASA-N 1 3 263.345 -0.135 20 0 CBADHO CON(C)C(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000843062020 583198985 /nfs/dbraw/zinc/19/89/85/583198985.db2.gz KNHPRBZKALUXKO-NSHDSACASA-N 1 3 259.350 -0.557 20 0 CBADHO C[C@H](NC1CC1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000843338589 583210526 /nfs/dbraw/zinc/21/05/26/583210526.db2.gz SXRGGJOJQUOTDP-NSHDSACASA-N 1 3 254.378 -0.510 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000843354413 583211865 /nfs/dbraw/zinc/21/18/65/583211865.db2.gz FTNSVPLXVJFKIX-XIVSLSHWSA-N 1 3 284.404 -0.186 20 0 CBADHO COCCN(CCN(C)C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843489210 583227711 /nfs/dbraw/zinc/22/77/11/583227711.db2.gz IXWVZJKMXZMXBW-CYBMUJFWSA-N 1 3 287.404 -0.208 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844174874 583257226 /nfs/dbraw/zinc/25/72/26/583257226.db2.gz HBLKCPZDLDESBX-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844178952 583257783 /nfs/dbraw/zinc/25/77/83/583257783.db2.gz AGZJGEMWSOVBBN-SJHCENCUSA-N 1 3 265.357 -0.284 20 0 CBADHO CC[NH2+]CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000844180648 583258338 /nfs/dbraw/zinc/25/83/38/583258338.db2.gz JEGNELUMXMJNRN-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679050 583383103 /nfs/dbraw/zinc/38/31/03/583383103.db2.gz RTDQSFWYVCTIAF-NGZCFLSTSA-N 1 3 275.299 -0.664 20 0 CBADHO CN1C[C@@H]([N@H+](C)C[C@H](O)CN2CCCC2)CCC1=O ZINC000846920708 583392794 /nfs/dbraw/zinc/39/27/94/583392794.db2.gz JKWRAXJTXNDBPW-STQMWFEESA-N 1 3 269.389 -0.004 20 0 CBADHO CN1C[C@@H]([N@@H+](C)C[C@H](O)CN2CCCC2)CCC1=O ZINC000846920708 583392795 /nfs/dbraw/zinc/39/27/95/583392795.db2.gz JKWRAXJTXNDBPW-STQMWFEESA-N 1 3 269.389 -0.004 20 0 CBADHO CN1C[C@H]([N@H+](C)C[C@H](O)CN2CCCC2)CCC1=O ZINC000846920704 583392917 /nfs/dbraw/zinc/39/29/17/583392917.db2.gz JKWRAXJTXNDBPW-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1C[C@H]([N@@H+](C)C[C@H](O)CN2CCCC2)CCC1=O ZINC000846920704 583392919 /nfs/dbraw/zinc/39/29/19/583392919.db2.gz JKWRAXJTXNDBPW-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO COC[C@H](C)NC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987872 583464605 /nfs/dbraw/zinc/46/46/05/583464605.db2.gz KNGPYNAEQGNGOP-NSHDSACASA-N 1 3 272.393 -0.018 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC(=O)NC ZINC000848993499 583465066 /nfs/dbraw/zinc/46/50/66/583465066.db2.gz AQOOGZUEEGEHLU-JTQLQIEISA-N 1 3 255.366 -0.279 20 0 CBADHO C[C@@H](CNC1=[NH+]CCN1C)CN1CCN(C)CC1 ZINC000848994290 583465456 /nfs/dbraw/zinc/46/54/56/583465456.db2.gz BEASQCMAMDFVQK-LBPRGKRZSA-N 1 3 253.394 -0.239 20 0 CBADHO CN(CCC[NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000851657292 583518246 /nfs/dbraw/zinc/51/82/46/583518246.db2.gz WOQGUCJMNWNSRM-VXGBXAGGSA-N 1 3 270.377 -0.160 20 0 CBADHO CCCN1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000851676316 583519920 /nfs/dbraw/zinc/51/99/20/583519920.db2.gz HVPJIMHALAHJJT-LLVKDONJSA-N 1 3 258.366 -0.567 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000851687288 583521440 /nfs/dbraw/zinc/52/14/40/583521440.db2.gz PTIDIDRLQZYHTM-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000851690497 583522135 /nfs/dbraw/zinc/52/21/35/583522135.db2.gz DIIGWCSVBSDQGS-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO [NH3+]CCOCCN1CCC(N2CCOC2=O)CC1 ZINC000852761093 583552231 /nfs/dbraw/zinc/55/22/31/583552231.db2.gz QHQGIKAPKSCUNU-UHFFFAOYSA-N 1 3 257.334 -0.122 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852790052 583552704 /nfs/dbraw/zinc/55/27/04/583552704.db2.gz NRRFLRZYARSVFR-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO NC[C@@H]1CC(C(=O)NCC2([NH3+])CCCCC2)=NO1 ZINC000852789729 583552775 /nfs/dbraw/zinc/55/27/75/583552775.db2.gz DPTKYTBHUYNXBO-VIFPVBQESA-N 1 3 254.334 -0.132 20 0 CBADHO CN1CCN(C(=O)C=C2CC[NH2+]CC2)[C@H](CN)C1 ZINC000852798257 583553347 /nfs/dbraw/zinc/55/33/47/583553347.db2.gz HSUPODPVHZWNQT-GFCCVEGCSA-N 1 3 252.362 -0.603 20 0 CBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800341 583553562 /nfs/dbraw/zinc/55/35/62/583553562.db2.gz XLEWJVHVWZYTOB-BXKDBHETSA-N 1 3 256.350 -0.030 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800372 583553584 /nfs/dbraw/zinc/55/35/84/583553584.db2.gz XLEWJVHVWZYTOB-SKDRFNHKSA-N 1 3 256.350 -0.030 20 0 CBADHO C[C@H]1CCCN1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852823970 583556255 /nfs/dbraw/zinc/55/62/55/583556255.db2.gz NHGOKBXSXABNPA-JTQLQIEISA-N 1 3 266.349 -0.549 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000852823971 583556383 /nfs/dbraw/zinc/55/63/83/583556383.db2.gz NHGOKBXSXABNPA-SNVBAGLBSA-N 1 3 266.349 -0.549 20 0 CBADHO CN(CC(C)(C)[NH3+])C(=O)c1[nH]nc2c1CNCC2 ZINC000852842252 583559379 /nfs/dbraw/zinc/55/93/79/583559379.db2.gz UAFLJNZNFZIWEE-UHFFFAOYSA-N 1 3 251.334 -0.135 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCCCC[NH3+] ZINC000852854325 583561166 /nfs/dbraw/zinc/56/11/66/583561166.db2.gz DPVZTCFUPUMVJE-UHFFFAOYSA-N 1 3 286.420 -0.016 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852855266 583561576 /nfs/dbraw/zinc/56/15/76/583561576.db2.gz XWVBWZHVNCTUOH-SECBINFHSA-N 1 3 256.350 -0.206 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)=NO1 ZINC000852860606 583562490 /nfs/dbraw/zinc/56/24/90/583562490.db2.gz SRGWYTPRRDLZSY-NHCYSSNCSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)=NO1 ZINC000852860606 583562492 /nfs/dbraw/zinc/56/24/92/583562492.db2.gz SRGWYTPRRDLZSY-NHCYSSNCSA-N 1 3 266.345 -0.167 20 0 CBADHO CC[NH+]1CCC(CNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852862146 583562909 /nfs/dbraw/zinc/56/29/09/583562909.db2.gz UUNQWCBEWUWWML-LLVKDONJSA-N 1 3 268.361 -0.062 20 0 CBADHO C[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852864142 583563685 /nfs/dbraw/zinc/56/36/85/583563685.db2.gz XHBQVCFUPJGIET-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO C[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852864142 583563687 /nfs/dbraw/zinc/56/36/87/583563687.db2.gz XHBQVCFUPJGIET-ZJUUUORDSA-N 1 3 254.334 -0.452 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000852864297 583563733 /nfs/dbraw/zinc/56/37/33/583563733.db2.gz RJOGELXTWSXJRT-RNJOBUHISA-N 1 3 283.372 -0.670 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852870295 583564789 /nfs/dbraw/zinc/56/47/89/583564789.db2.gz RIJHXYDCPIUZOH-LBPRGKRZSA-N 1 3 297.403 -0.768 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852870294 583564939 /nfs/dbraw/zinc/56/49/39/583564939.db2.gz RIJHXYDCPIUZOH-GFCCVEGCSA-N 1 3 297.403 -0.768 20 0 CBADHO NC[C@H]1CC(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)=NO1 ZINC000852873984 583565473 /nfs/dbraw/zinc/56/54/73/583565473.db2.gz IMFORMHOWXMBOH-NXEZZACHSA-N 1 3 252.318 -0.557 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875936 583566218 /nfs/dbraw/zinc/56/62/18/583566218.db2.gz UCLAXHLHXXJKFK-CABZTGNLSA-N 1 3 252.318 -0.698 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878853 583566366 /nfs/dbraw/zinc/56/63/66/583566366.db2.gz ADFGQLNKKRWRQC-ZWNOBZJWSA-N 1 3 266.345 -0.308 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)=NO1 ZINC000852881997 583567114 /nfs/dbraw/zinc/56/71/14/583567114.db2.gz VBJBOAHPOUAYIP-UTLUCORTSA-N 1 3 252.318 -0.700 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852882247 583567477 /nfs/dbraw/zinc/56/74/77/583567477.db2.gz AZIKXVGIVOECTI-SCZZXKLOSA-N 1 3 254.334 -0.406 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)=NO1 ZINC000852883289 583567772 /nfs/dbraw/zinc/56/77/72/583567772.db2.gz XGAPKZNLFMVXQI-FSPLSTOPSA-N 1 3 268.239 -0.514 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852884888 583568452 /nfs/dbraw/zinc/56/84/52/583568452.db2.gz PTJLBMKANLVDQB-JFGNBEQYSA-N 1 3 268.361 -0.111 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852884888 583568454 /nfs/dbraw/zinc/56/84/54/583568454.db2.gz PTJLBMKANLVDQB-JFGNBEQYSA-N 1 3 268.361 -0.111 20 0 CBADHO C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C[C@@H]1C[NH3+] ZINC000852890375 583570121 /nfs/dbraw/zinc/57/01/21/583570121.db2.gz JIDDWFWBCKVNRR-UTLUCORTSA-N 1 3 254.334 -0.467 20 0 CBADHO NC[C@H]1CC(C(=O)NCCC2CC[NH2+]CC2)=NO1 ZINC000852897829 583571848 /nfs/dbraw/zinc/57/18/48/583571848.db2.gz SRYHNSWNZWGEKS-SNVBAGLBSA-N 1 3 254.334 -0.404 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000857102605 583664401 /nfs/dbraw/zinc/66/44/01/583664401.db2.gz FARUIEBEWQRNTI-STQMWFEESA-N 1 3 285.436 -0.094 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000857109514 583665176 /nfs/dbraw/zinc/66/51/76/583665176.db2.gz MOZSVORDASHXSF-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000857109747 583665259 /nfs/dbraw/zinc/66/52/59/583665259.db2.gz NJYXUWRWIUABEF-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO COCCN(C)CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861557433 583770614 /nfs/dbraw/zinc/77/06/14/583770614.db2.gz YLFFMMCAMOXLBA-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C1 ZINC000861573247 583771330 /nfs/dbraw/zinc/77/13/30/583771330.db2.gz CRAMTENYEWFRCZ-IJLUTSLNSA-N 1 3 268.361 -0.489 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000861728989 583781698 /nfs/dbraw/zinc/78/16/98/583781698.db2.gz NLPQRWXBUVOHHP-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCOC(=O)[C@@H]1NCC[C@H]1NCCOCC[NH2+]C ZINC000863543888 583845830 /nfs/dbraw/zinc/84/58/30/583845830.db2.gz FREJPFDADYDECB-GHMZBOCLSA-N 1 3 259.350 -0.894 20 0 CBADHO CCOC(=O)[C@H]1NCC[C@H]1NCCOCC[NH2+]C ZINC000863543889 583845895 /nfs/dbraw/zinc/84/58/95/583845895.db2.gz FREJPFDADYDECB-MNOVXSKESA-N 1 3 259.350 -0.894 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000863749886 583852376 /nfs/dbraw/zinc/85/23/76/583852376.db2.gz DYGHQFKCLRVPNJ-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000863752395 583852762 /nfs/dbraw/zinc/85/27/62/583852762.db2.gz DLOWPLWOFBLQCE-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000863752391 583852811 /nfs/dbraw/zinc/85/28/11/583852811.db2.gz DLOWPLWOFBLQCE-OLZOCXBDSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000863769561 583855648 /nfs/dbraw/zinc/85/56/48/583855648.db2.gz LFZYVCFOQDYKGD-GHMZBOCLSA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000863769563 583855673 /nfs/dbraw/zinc/85/56/73/583855673.db2.gz LFZYVCFOQDYKGD-QWRGUYRKSA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@H](CNC(=O)C(F)C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000864827189 583890391 /nfs/dbraw/zinc/89/03/91/583890391.db2.gz CNEBXGAZBSXGQT-NXEZZACHSA-N 1 3 290.383 -0.543 20 0 CBADHO C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@@H](O)CN ZINC000866666975 583926586 /nfs/dbraw/zinc/92/65/86/583926586.db2.gz YDWWMXGANZHHKA-LBPRGKRZSA-N 1 3 251.330 -0.421 20 0 CBADHO C[N@@H+](CCc1ccc(C(N)=O)cc1)C[C@@H](O)CN ZINC000866666975 583926588 /nfs/dbraw/zinc/92/65/88/583926588.db2.gz YDWWMXGANZHHKA-LBPRGKRZSA-N 1 3 251.330 -0.421 20 0 CBADHO COC[C@H](C)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714120 583928318 /nfs/dbraw/zinc/92/83/18/583928318.db2.gz GSBMBKKKSVJEMM-QCNOEVLYSA-N 1 3 269.345 -0.112 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866768054 583931780 /nfs/dbraw/zinc/93/17/80/583931780.db2.gz LUDOJJUKPFIUTO-MNOVXSKESA-N 1 3 261.391 -0.438 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@@H]21 ZINC000868388375 583976848 /nfs/dbraw/zinc/97/68/48/583976848.db2.gz STBBUPSZFJWYFR-UPJWGTAASA-N 1 3 294.399 -0.511 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@@H]21 ZINC000868388375 583976849 /nfs/dbraw/zinc/97/68/49/583976849.db2.gz STBBUPSZFJWYFR-UPJWGTAASA-N 1 3 294.399 -0.511 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390992 583977125 /nfs/dbraw/zinc/97/71/25/583977125.db2.gz RLNWYNRRZCWTOR-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390992 583977126 /nfs/dbraw/zinc/97/71/26/583977126.db2.gz RLNWYNRRZCWTOR-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390994 583977163 /nfs/dbraw/zinc/97/71/63/583977163.db2.gz RLNWYNRRZCWTOR-WOPDTQHZSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390994 583977164 /nfs/dbraw/zinc/97/71/64/583977164.db2.gz RLNWYNRRZCWTOR-WOPDTQHZSA-N 1 3 282.388 -0.655 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868405081 583977764 /nfs/dbraw/zinc/97/77/64/583977764.db2.gz GZHXZRBUHQKOFV-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868405764 583978025 /nfs/dbraw/zinc/97/80/25/583978025.db2.gz KEQYOOATLTZUOS-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868407608 583978257 /nfs/dbraw/zinc/97/82/57/583978257.db2.gz YRUVPIHFSYRASN-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868421460 583979173 /nfs/dbraw/zinc/97/91/73/583979173.db2.gz LNMTYHBEXDIKCQ-NWDGAFQWSA-N 1 3 282.388 -0.641 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870919117 584021682 /nfs/dbraw/zinc/02/16/82/584021682.db2.gz RRBLHUKCDGMFGY-IPYPFGDCSA-N 1 3 280.416 -0.133 20 0 CBADHO CN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](CN)C1 ZINC000870938222 584021931 /nfs/dbraw/zinc/02/19/31/584021931.db2.gz HHXXMGGCTYAIGI-XZUYRWCXSA-N 1 3 252.362 -0.785 20 0 CBADHO CN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](CN)C1 ZINC000870938221 584022046 /nfs/dbraw/zinc/02/20/46/584022046.db2.gz HHXXMGGCTYAIGI-BLFANLJRSA-N 1 3 252.362 -0.785 20 0 CBADHO CC(C)(O)C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000872213635 584050384 /nfs/dbraw/zinc/05/03/84/584050384.db2.gz VFKUWCQKAPOJCA-NWDGAFQWSA-N 1 3 260.378 -0.445 20 0 CBADHO C[N@H+](C[C@@H](O)CNCC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234241 584052103 /nfs/dbraw/zinc/05/21/03/584052103.db2.gz MOTCASNTZMAYEF-NSHDSACASA-N 1 3 293.433 -0.654 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)CS(N)(=O)=O)C1CC1 ZINC000872234241 584052104 /nfs/dbraw/zinc/05/21/04/584052104.db2.gz MOTCASNTZMAYEF-NSHDSACASA-N 1 3 293.433 -0.654 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1=NO[C@H](CN)C1)C2 ZINC000872263364 584052687 /nfs/dbraw/zinc/05/26/87/584052687.db2.gz DCFOLCPDEFNXRQ-TVYUQYBPSA-N 1 3 266.345 -0.452 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872297610 584054912 /nfs/dbraw/zinc/05/49/12/584054912.db2.gz SANFZDUAMSIKQO-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N1CCNCCC1(C)C ZINC000872301895 584055004 /nfs/dbraw/zinc/05/50/04/584055004.db2.gz WRKIDFXURCORGN-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000873229422 584069000 /nfs/dbraw/zinc/06/90/00/584069000.db2.gz YITNBSXUZAUDRD-KCQAQPDRSA-N 1 3 280.416 -0.275 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@]12COC(=O)N1CCOC2 ZINC000873248327 584069236 /nfs/dbraw/zinc/06/92/36/584069236.db2.gz DBOHAABGBCJIOV-GMXVVIOVSA-N 1 3 269.345 -0.075 20 0 CBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248327 584069238 /nfs/dbraw/zinc/06/92/38/584069238.db2.gz DBOHAABGBCJIOV-GMXVVIOVSA-N 1 3 269.345 -0.075 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]12COCCN1C(=O)COC2 ZINC000873265982 584069556 /nfs/dbraw/zinc/06/95/56/584069556.db2.gz KVWAYZGOGVLGFS-GVXVVHGQSA-N 1 3 271.361 -0.670 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000873267160 584069869 /nfs/dbraw/zinc/06/98/69/584069869.db2.gz WXVYJSNZJWCCCG-YDHLFZDLSA-N 1 3 297.399 -0.279 20 0 CBADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267160 584069871 /nfs/dbraw/zinc/06/98/71/584069871.db2.gz WXVYJSNZJWCCCG-YDHLFZDLSA-N 1 3 297.399 -0.279 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876730425 584141298 /nfs/dbraw/zinc/14/12/98/584141298.db2.gz GELHDSFNSAZGTL-NSHDSACASA-N 1 3 265.361 -0.051 20 0 CBADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](N)CN(C)C ZINC000876766083 584143084 /nfs/dbraw/zinc/14/30/84/584143084.db2.gz APLISPSEWROFOG-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876770290 584143656 /nfs/dbraw/zinc/14/36/56/584143656.db2.gz BXHQGEKBGLENQG-UWVGGRQHSA-N 1 3 279.331 -0.089 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(CN)cnn1C ZINC000876775756 584143905 /nfs/dbraw/zinc/14/39/05/584143905.db2.gz FLHNCIUFQVXNLK-LBPRGKRZSA-N 1 3 297.403 -0.035 20 0 CBADHO COCCNCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876792768 584144917 /nfs/dbraw/zinc/14/49/17/584144917.db2.gz YYJDCAKHMSVJDZ-ITKZLYELSA-N 1 3 255.362 -0.106 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000876799609 584145653 /nfs/dbraw/zinc/14/56/53/584145653.db2.gz IHIPEHKBYDMRSL-USZNOCQGSA-N 1 3 254.378 -0.539 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854610 584150193 /nfs/dbraw/zinc/15/01/93/584150193.db2.gz UJKJXRQCLCDHRW-STQMWFEESA-N 1 3 268.405 -0.277 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000876921843 584155974 /nfs/dbraw/zinc/15/59/74/584155974.db2.gz TWLAAPLWBREZSZ-MJBXVCDLSA-N 1 3 294.374 -0.032 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876937591 584156691 /nfs/dbraw/zinc/15/66/91/584156691.db2.gz ZDWSVFUFTKALGK-KBPBESRZSA-N 1 3 276.384 -0.040 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000876950653 584157775 /nfs/dbraw/zinc/15/77/75/584157775.db2.gz RMFFTUNKTLXZPX-RQJABVFESA-N 1 3 298.431 -0.237 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)c1c(CN)cnn1C ZINC000876960684 584158405 /nfs/dbraw/zinc/15/84/05/584158405.db2.gz KAQUWCGMHBXNLM-UHFFFAOYSA-N 1 3 296.419 -0.508 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000876985241 584159933 /nfs/dbraw/zinc/15/99/33/584159933.db2.gz ORQPZSYTHBWDKH-GWCFXTLKSA-N 1 3 263.345 -0.168 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C23CCC3)=NO1 ZINC000877006263 584161391 /nfs/dbraw/zinc/16/13/91/584161391.db2.gz ZCCMNMSNPANCPL-WPRPVWTQSA-N 1 3 252.318 -0.509 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[NH2+]1 ZINC000877052936 584164329 /nfs/dbraw/zinc/16/43/29/584164329.db2.gz YSTIYZPXVIVANY-IUCAKERBSA-N 1 3 263.345 -0.074 20 0 CBADHO C[NH2+]CCC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206373 584170350 /nfs/dbraw/zinc/17/03/50/584170350.db2.gz GYZRLPLYNHSDBD-UHFFFAOYSA-N 1 3 288.355 -0.048 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000877248578 584172321 /nfs/dbraw/zinc/17/23/21/584172321.db2.gz BQXAYBQIZHPFBV-QWHCGFSZSA-N 1 3 266.389 -0.556 20 0 CBADHO C[N@H+]1CC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000877248578 584172322 /nfs/dbraw/zinc/17/23/22/584172322.db2.gz BQXAYBQIZHPFBV-QWHCGFSZSA-N 1 3 266.389 -0.556 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000877248576 584172343 /nfs/dbraw/zinc/17/23/43/584172343.db2.gz BQXAYBQIZHPFBV-CHWSQXEVSA-N 1 3 266.389 -0.556 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000877248576 584172344 /nfs/dbraw/zinc/17/23/44/584172344.db2.gz BQXAYBQIZHPFBV-CHWSQXEVSA-N 1 3 266.389 -0.556 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250630 584172574 /nfs/dbraw/zinc/17/25/74/584172574.db2.gz QYSOXRZCVICPAW-SCRDCRAPSA-N 1 3 296.415 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250630 584172576 /nfs/dbraw/zinc/17/25/76/584172576.db2.gz QYSOXRZCVICPAW-SCRDCRAPSA-N 1 3 296.415 -0.362 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289920 584176068 /nfs/dbraw/zinc/17/60/68/584176068.db2.gz WUKDKJIPCBVWHV-UTUOFQBUSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289805 584176158 /nfs/dbraw/zinc/17/61/58/584176158.db2.gz WUKDKJIPCBVWHV-GRYCIOLGSA-N 1 3 253.346 -0.282 20 0 CBADHO COCCNCC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371845 584179747 /nfs/dbraw/zinc/17/97/47/584179747.db2.gz WQBMHDCTRUJAMW-RKDXNWHRSA-N 1 3 283.294 -0.182 20 0 CBADHO CN(CCCCCC[NH3+])C(=O)CN1CCNCC1 ZINC000877434247 584181474 /nfs/dbraw/zinc/18/14/74/584181474.db2.gz BDGLKAUNSGDOTH-UHFFFAOYSA-N 1 3 256.394 -0.131 20 0 CBADHO CN1CCC(NC(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000878420546 584202311 /nfs/dbraw/zinc/20/23/11/584202311.db2.gz QNMRSWSBFFHUEJ-ZDUSSCGKSA-N 1 3 269.389 -0.053 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000884196720 584365289 /nfs/dbraw/zinc/36/52/89/584365289.db2.gz YUWDBRWFLIQKQI-UPJWGTAASA-N 1 3 287.404 -0.034 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884269829 584371238 /nfs/dbraw/zinc/37/12/38/584371238.db2.gz ZEBLWZBEBOKFGO-JTQLQIEISA-N 1 3 263.345 -0.432 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000884316178 584373785 /nfs/dbraw/zinc/37/37/85/584373785.db2.gz LOUMVFYLQIESON-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000884316178 584373787 /nfs/dbraw/zinc/37/37/87/584373787.db2.gz LOUMVFYLQIESON-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000884348090 584375671 /nfs/dbraw/zinc/37/56/71/584375671.db2.gz NTEUYDUFBFAFIS-GMTAPVOTSA-N 1 3 255.362 -0.003 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000884358785 584376097 /nfs/dbraw/zinc/37/60/97/584376097.db2.gz YAGBWPSURHSTPC-NXEZZACHSA-N 1 3 263.345 -0.089 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)CC3CC3)C[C@H]2[NH3+])cn1 ZINC000884371842 584377365 /nfs/dbraw/zinc/37/73/65/584377365.db2.gz ZMJVBARSWBWBKQ-RWMBFGLXSA-N 1 3 277.372 -0.199 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884545663 584387385 /nfs/dbraw/zinc/38/73/85/584387385.db2.gz NZDFSLFCCYIHHN-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884577495 584388773 /nfs/dbraw/zinc/38/87/73/584388773.db2.gz GUFDASNDUCXIMI-AGIUHOORSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(C(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884617149 584391074 /nfs/dbraw/zinc/39/10/74/584391074.db2.gz ISQKPBPKJZUDOG-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N(C)C1CC1 ZINC000884616901 584391159 /nfs/dbraw/zinc/39/11/59/584391159.db2.gz DTVJRCJEWNCXGV-MXWKQRLJSA-N 1 3 282.388 -0.467 20 0 CBADHO CCN(C(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884617147 584391184 /nfs/dbraw/zinc/39/11/84/584391184.db2.gz ISQKPBPKJZUDOG-AAEUAGOBSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1=CCN(C)CC1 ZINC000884624097 584391754 /nfs/dbraw/zinc/39/17/54/584391754.db2.gz YAPWVFVOLBUPJI-WXHSDQCUSA-N 1 3 292.383 -0.674 20 0 CBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884631522 584392319 /nfs/dbraw/zinc/39/23/19/584392319.db2.gz NBRTZLBOTHOOSL-AGIUHOORSA-N 1 3 292.383 -0.840 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884650517 584392463 /nfs/dbraw/zinc/39/24/63/584392463.db2.gz MQMZWHAJNXTWFF-QWRGUYRKSA-N 1 3 268.361 -0.983 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884650661 584392481 /nfs/dbraw/zinc/39/24/81/584392481.db2.gz QXPCJCBLLVLPQY-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884659007 584393157 /nfs/dbraw/zinc/39/31/57/584393157.db2.gz GECBKGCPPVJVGY-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000884692805 584397804 /nfs/dbraw/zinc/39/78/04/584397804.db2.gz YWQBYRANPMCRPB-UHFFFAOYSA-N 1 3 294.399 -0.449 20 0 CBADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC2CNC2)CC1 ZINC000884692886 584397819 /nfs/dbraw/zinc/39/78/19/584397819.db2.gz CORLONRGAJUGLY-UHFFFAOYSA-N 1 3 296.415 -0.299 20 0 CBADHO CN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CCC1(C)C ZINC000884693772 584398118 /nfs/dbraw/zinc/39/81/18/584398118.db2.gz NXNVTFVRFNKHKY-UHFFFAOYSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884704687 584399281 /nfs/dbraw/zinc/39/92/81/584399281.db2.gz PFJVQKYSFISWNM-MXWKQRLJSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884704687 584399283 /nfs/dbraw/zinc/39/92/83/584399283.db2.gz PFJVQKYSFISWNM-MXWKQRLJSA-N 1 3 268.361 -0.998 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884878583 584404706 /nfs/dbraw/zinc/40/47/06/584404706.db2.gz AYYVBTDIVYCNKL-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970013 584405908 /nfs/dbraw/zinc/40/59/08/584405908.db2.gz BXALVNDQTMZBQG-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885196133 584409710 /nfs/dbraw/zinc/40/97/10/584409710.db2.gz TYPWMIMCOOZLLT-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)C1 ZINC000887087939 584462700 /nfs/dbraw/zinc/46/27/00/584462700.db2.gz DEBVXGPATZHEMG-DOMZBBRYSA-N 1 3 294.399 -0.510 20 0 CBADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)C1 ZINC000887087939 584462701 /nfs/dbraw/zinc/46/27/01/584462701.db2.gz DEBVXGPATZHEMG-DOMZBBRYSA-N 1 3 294.399 -0.510 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@H]21 ZINC000887089774 584463377 /nfs/dbraw/zinc/46/33/77/584463377.db2.gz STBBUPSZFJWYFR-YNEHKIRRSA-N 1 3 294.399 -0.511 20 0 CBADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@H]21 ZINC000887089774 584463380 /nfs/dbraw/zinc/46/33/80/584463380.db2.gz STBBUPSZFJWYFR-YNEHKIRRSA-N 1 3 294.399 -0.511 20 0 CBADHO CN(CCO)CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000887849898 584475059 /nfs/dbraw/zinc/47/50/59/584475059.db2.gz XMWJUYCWSKCDEE-UHFFFAOYSA-N 1 3 298.391 -0.510 20 0 CBADHO CCN(C(=O)NCCOCCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000891845443 584592981 /nfs/dbraw/zinc/59/29/81/584592981.db2.gz UUXDJFJPOBCERR-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CN(C)CCOCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891842197 584593048 /nfs/dbraw/zinc/59/30/48/584593048.db2.gz QGDNYXPRXCMKTN-XYPYZODXSA-N 1 3 258.366 -0.399 20 0 CBADHO CN(C)CCOCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891843709 584593075 /nfs/dbraw/zinc/59/30/75/584593075.db2.gz GQAIRFKJFSKXMH-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO CC[NH2+]CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000891992987 584597867 /nfs/dbraw/zinc/59/78/67/584597867.db2.gz DJIIGXHONWGUGI-NSHDSACASA-N 1 3 272.393 -0.260 20 0 CBADHO COCCNCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892054710 584601860 /nfs/dbraw/zinc/60/18/60/584601860.db2.gz FYVQPQQWJYPRSM-MNOVXSKESA-N 1 3 258.366 -0.209 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892054713 584601932 /nfs/dbraw/zinc/60/19/32/584601932.db2.gz FYVQPQQWJYPRSM-WDEREUQCSA-N 1 3 258.366 -0.209 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892183868 584608047 /nfs/dbraw/zinc/60/80/47/584608047.db2.gz MDBCLWUDWNDDRB-DMDPSCGWSA-N 1 3 268.361 -0.441 20 0 CBADHO [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000892182999 584608206 /nfs/dbraw/zinc/60/82/06/584608206.db2.gz AODKUFPFNMYAJG-GHMZBOCLSA-N 1 3 256.350 -0.502 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000892184534 584608500 /nfs/dbraw/zinc/60/85/00/584608500.db2.gz UIBMGMSQOFGIJL-VXGBXAGGSA-N 1 3 270.377 -0.242 20 0 CBADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC[C@@H]1CNCCO1 ZINC000892188981 584608809 /nfs/dbraw/zinc/60/88/09/584608809.db2.gz KYEIBQKBERPIFN-UWVGGRQHSA-N 1 3 292.330 -0.481 20 0 CBADHO CCN(C(=O)NC[C@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000892190281 584609075 /nfs/dbraw/zinc/60/90/75/584609075.db2.gz XWHXTZZRQSLRAC-GHMZBOCLSA-N 1 3 256.350 -0.632 20 0 CBADHO CN1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@@H](CN)C1 ZINC000892456203 584617042 /nfs/dbraw/zinc/61/70/42/584617042.db2.gz WBQZTCZMAIXYBQ-LXVYMNJGSA-N 1 3 281.404 -0.363 20 0 CBADHO CN1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@H](CN)C1 ZINC000892456204 584617062 /nfs/dbraw/zinc/61/70/62/584617062.db2.gz WBQZTCZMAIXYBQ-MBHSVXNSSA-N 1 3 281.404 -0.363 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000892566776 584619215 /nfs/dbraw/zinc/61/92/15/584619215.db2.gz NIEAFCSPDRGHQT-JHJVBQTASA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000892567070 584619236 /nfs/dbraw/zinc/61/92/36/584619236.db2.gz PPYAKCJKUXUMEN-JHJVBQTASA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000892566379 584619256 /nfs/dbraw/zinc/61/92/56/584619256.db2.gz ILSVZSKOLLAGHL-JHJVBQTASA-N 1 3 284.404 -0.130 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000892686874 584622799 /nfs/dbraw/zinc/62/27/99/584622799.db2.gz DZBMVKSPOUIUFX-CHWSQXEVSA-N 1 3 284.404 -0.090 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000892686874 584622801 /nfs/dbraw/zinc/62/28/01/584622801.db2.gz DZBMVKSPOUIUFX-CHWSQXEVSA-N 1 3 284.404 -0.090 20 0 CBADHO CCC1([NH3+])CCN(C(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000892926828 584629925 /nfs/dbraw/zinc/62/99/25/584629925.db2.gz YJHSENGMXUTEFT-AWEZNQCLSA-N 1 3 284.404 -0.034 20 0 CBADHO C[NH+]1CCC(CN2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000893904397 584648815 /nfs/dbraw/zinc/64/88/15/584648815.db2.gz FNGIIHMLRPYYHI-LLVKDONJSA-N 1 3 261.391 -0.309 20 0 CBADHO CN(C)CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895469850 584679878 /nfs/dbraw/zinc/67/98/78/584679878.db2.gz LPJCISHQMGKRSY-UHFFFAOYSA-N 1 3 255.362 -0.225 20 0 CBADHO CN1C(=O)[C@H]2C[N@H+](CC3CCN(C)CC3)C[C@H]2C1=O ZINC000895829390 584688035 /nfs/dbraw/zinc/68/80/35/584688035.db2.gz OBRKEYYRBWFGFE-TXEJJXNPSA-N 1 3 265.357 -0.125 20 0 CBADHO CN1C(=O)[C@H]2C[N@@H+](CC3CCN(C)CC3)C[C@H]2C1=O ZINC000895829390 584688036 /nfs/dbraw/zinc/68/80/36/584688036.db2.gz OBRKEYYRBWFGFE-TXEJJXNPSA-N 1 3 265.357 -0.125 20 0 CBADHO COC(=O)[C@]1(O)CC[N@H+](CC2CCN(C)CC2)C1 ZINC000896035254 584691229 /nfs/dbraw/zinc/69/12/29/584691229.db2.gz QUNGTBMALIMQOX-ZDUSSCGKSA-N 1 3 256.346 -0.062 20 0 CBADHO COC(=O)[C@]1(O)CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000896035254 584691232 /nfs/dbraw/zinc/69/12/32/584691232.db2.gz QUNGTBMALIMQOX-ZDUSSCGKSA-N 1 3 256.346 -0.062 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000897441583 584716409 /nfs/dbraw/zinc/71/64/09/584716409.db2.gz HCQZPWPZSOUAHF-TZMCWYRMSA-N 1 3 286.420 -0.060 20 0 CBADHO CN1CCN(CCCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000899869192 584782163 /nfs/dbraw/zinc/78/21/63/584782163.db2.gz BQEHWFBWMBMIOP-AWEZNQCLSA-N 1 3 285.432 -0.121 20 0 CBADHO CN1CCC(O)(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900901918 584832401 /nfs/dbraw/zinc/83/24/01/584832401.db2.gz WHWUIORUNBMLAV-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO CN1CCC(O)(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900901918 584832403 /nfs/dbraw/zinc/83/24/03/584832403.db2.gz WHWUIORUNBMLAV-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO CN(C)CCn1nccc1C(=O)NCCOCC[NH+](C)C ZINC000901341273 584862013 /nfs/dbraw/zinc/86/20/13/584862013.db2.gz NQRWRRBPZABHME-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC000902473981 584877263 /nfs/dbraw/zinc/87/72/63/584877263.db2.gz BDMYGJVCZSWUED-GRYCIOLGSA-N 1 3 273.402 -0.107 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441860 584890513 /nfs/dbraw/zinc/89/05/13/584890513.db2.gz CMDSDYNONCEZKK-CQSZACIVSA-N 1 3 280.416 -0.022 20 0 CBADHO COC(=O)[C@H]1CNCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903453106 584890634 /nfs/dbraw/zinc/89/06/34/584890634.db2.gz ZMNJYKBZVFNYEN-GRYCIOLGSA-N 1 3 255.362 -0.321 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)C1CNC1 ZINC000903531876 584892702 /nfs/dbraw/zinc/89/27/02/584892702.db2.gz QQCXGHLGEHBISL-GXSJLCMTSA-N 1 3 259.375 -0.509 20 0 CBADHO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)[C@@H]1CCCNC1 ZINC000903538750 584892780 /nfs/dbraw/zinc/89/27/80/584892780.db2.gz AXFYRDXYNRKIEU-LLVKDONJSA-N 1 3 291.417 -0.492 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@@H]1CCCNC1)C2 ZINC000903576492 584893795 /nfs/dbraw/zinc/89/37/95/584893795.db2.gz LMKLYYPHOWTMKH-WHOHXGKFSA-N 1 3 273.402 -0.120 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)[C@@H]1CCCNC1 ZINC000903583928 584893962 /nfs/dbraw/zinc/89/39/62/584893962.db2.gz HXNGLANRWOLVFI-QJPTWQEYSA-N 1 3 273.402 -0.119 20 0 CBADHO CN(C)CCCS(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586898 584894062 /nfs/dbraw/zinc/89/40/62/584894062.db2.gz MLPLCPXNSGACSK-JTQLQIEISA-N 1 3 263.407 -0.063 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903735130 584896498 /nfs/dbraw/zinc/89/64/98/584896498.db2.gz IBNJAIACZUDCMR-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903747007 584896952 /nfs/dbraw/zinc/89/69/52/584896952.db2.gz NKPOKMPNHAHQJV-KBPBESRZSA-N 1 3 293.415 -0.177 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903749721 584897358 /nfs/dbraw/zinc/89/73/58/584897358.db2.gz PKEAYMHUTZKBTA-VNHYZAJKSA-N 1 3 297.399 -0.408 20 0 CBADHO COCC(COC)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903779447 584899298 /nfs/dbraw/zinc/89/92/98/584899298.db2.gz ZSBQJDXYEFEDOH-RTXFEEFZSA-N 1 3 299.371 -0.485 20 0 CBADHO C[NH2+]CCN(C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C(C)C ZINC000903809052 584900355 /nfs/dbraw/zinc/90/03/55/584900355.db2.gz NJOIFPYADWVEPG-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO COCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000903837042 584901610 /nfs/dbraw/zinc/90/16/10/584901610.db2.gz AQIHCQLOEQBJHV-CHWSQXEVSA-N 1 3 269.389 -0.182 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864474 584902601 /nfs/dbraw/zinc/90/26/01/584902601.db2.gz VKRJHPDTPSARGK-MELADBBJSA-N 1 3 271.405 -0.261 20 0 CBADHO COCCN(C)C[C@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870609 584902822 /nfs/dbraw/zinc/90/28/22/584902822.db2.gz ODBLBPIQHSUAIZ-KBPBESRZSA-N 1 3 271.405 -0.247 20 0 CBADHO O=C1NC(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC000903902609 584904158 /nfs/dbraw/zinc/90/41/58/584904158.db2.gz KQULGBNLIYKTPJ-YATPEIPISA-N 1 3 278.356 -0.247 20 0 CBADHO COC(=O)[C@H]1CNCCCN1C[C@H]([NH3+])CC(F)F ZINC000903915895 584904591 /nfs/dbraw/zinc/90/45/91/584904591.db2.gz DFCVKLXZLMZDGI-RKDXNWHRSA-N 1 3 265.304 -0.194 20 0 CBADHO COC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903953645 584905105 /nfs/dbraw/zinc/90/51/05/584905105.db2.gz HZVXIVBILZEYSG-RYUDHWBXSA-N 1 3 298.387 -0.386 20 0 CBADHO COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903953645 584905106 /nfs/dbraw/zinc/90/51/06/584905106.db2.gz HZVXIVBILZEYSG-RYUDHWBXSA-N 1 3 298.387 -0.386 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1)[NH+](C)C ZINC000968990159 614074608 /nfs/dbraw/zinc/07/46/08/614074608.db2.gz VUEPKXXTDFNNLN-TUAOUCFPSA-N 1 3 284.404 -0.363 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968645416 614351509 /nfs/dbraw/zinc/35/15/09/614351509.db2.gz ZEDGALVAFFQQRI-NEPJUHHUSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968645416 614351511 /nfs/dbraw/zinc/35/15/11/614351511.db2.gz ZEDGALVAFFQQRI-NEPJUHHUSA-N 1 3 282.388 -0.465 20 0 CBADHO CC1(C)CN(CCO)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977497190 614661189 /nfs/dbraw/zinc/66/11/89/614661189.db2.gz KMLUZGQCWJNANV-LBPRGKRZSA-N 1 3 281.400 -0.099 20 0 CBADHO CC[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC000969813565 615537586 /nfs/dbraw/zinc/53/75/86/615537586.db2.gz AUOXGHLPIXUNSP-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963157613 615882070 /nfs/dbraw/zinc/88/20/70/615882070.db2.gz PEGJBBXUYXFOGV-WXRRBKDZSA-N 1 3 296.415 -0.075 20 0 CBADHO C[N@H+](CCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406583 616112907 /nfs/dbraw/zinc/11/29/07/616112907.db2.gz QNPDOWCGIGZEBX-LBPRGKRZSA-N 1 3 255.362 -0.393 20 0 CBADHO C[N@@H+](CCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406583 616112908 /nfs/dbraw/zinc/11/29/08/616112908.db2.gz QNPDOWCGIGZEBX-LBPRGKRZSA-N 1 3 255.362 -0.393 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000977604291 616267555 /nfs/dbraw/zinc/26/75/55/616267555.db2.gz VSWIQHXXAMCDGO-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000977604291 616267556 /nfs/dbraw/zinc/26/75/56/616267556.db2.gz VSWIQHXXAMCDGO-NEPJUHHUSA-N 1 3 269.389 -0.243 20 0 CBADHO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC000969595218 616281740 /nfs/dbraw/zinc/28/17/40/616281740.db2.gz PJVIQIXOJGCJJT-JHJVBQTASA-N 1 3 294.399 -0.498 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000977604298 616376353 /nfs/dbraw/zinc/37/63/53/616376353.db2.gz VSWIQHXXAMCDGO-NWDGAFQWSA-N 1 3 269.389 -0.243 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000977604298 616376357 /nfs/dbraw/zinc/37/63/57/616376357.db2.gz VSWIQHXXAMCDGO-NWDGAFQWSA-N 1 3 269.389 -0.243 20 0 CBADHO COC[C@H](C)OC[C@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708852663 656194745 /nfs/dbraw/zinc/19/47/45/656194745.db2.gz LRUFLFYXMKNFLH-YVECIDJPSA-N 1 3 260.378 -0.075 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905355107 656352233 /nfs/dbraw/zinc/35/22/33/656352233.db2.gz SFQWQYOJOOKJAQ-NEPJUHHUSA-N 1 3 260.378 -0.540 20 0 CBADHO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)C1CNC1 ZINC000923662946 658388730 /nfs/dbraw/zinc/38/87/30/658388730.db2.gz UYKTYMPCBHAOCV-UHFFFAOYSA-N 1 3 281.381 -0.277 20 0 CBADHO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)C1CNC1 ZINC000923674630 658394093 /nfs/dbraw/zinc/39/40/93/658394093.db2.gz SLBFFELMMDDATA-SSDOTTSWSA-N 1 3 269.317 -0.878 20 0 CBADHO CN(C)CC(=O)N1CC[C@@H](CCNC(=O)C[NH+](C)C)C1 ZINC000923149197 658163912 /nfs/dbraw/zinc/16/39/12/658163912.db2.gz DWSVCPXPNSCDIB-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)CC(=O)NCC[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000923149197 658163924 /nfs/dbraw/zinc/16/39/24/658163924.db2.gz DWSVCPXPNSCDIB-GFCCVEGCSA-N 1 3 284.404 -0.536 20 0 CBADHO COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923487222 658305138 /nfs/dbraw/zinc/30/51/38/658305138.db2.gz BCYDHZMWPPVDIR-QWRGUYRKSA-N 1 3 286.376 -0.482 20 0 CBADHO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623573 658358184 /nfs/dbraw/zinc/35/81/84/658358184.db2.gz BCHCOEUDPBXQBD-LBPRGKRZSA-N 1 3 287.429 -0.048 20 0 CBADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623573 658358193 /nfs/dbraw/zinc/35/81/93/658358193.db2.gz BCHCOEUDPBXQBD-LBPRGKRZSA-N 1 3 287.429 -0.048 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622739 658359242 /nfs/dbraw/zinc/35/92/42/658359242.db2.gz PMRQOVYHJYVJTK-LBPRGKRZSA-N 1 3 290.433 -0.590 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622739 658359254 /nfs/dbraw/zinc/35/92/54/658359254.db2.gz PMRQOVYHJYVJTK-LBPRGKRZSA-N 1 3 290.433 -0.590 20 0 CBADHO CC(C)(CCC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923643575 658370238 /nfs/dbraw/zinc/37/02/38/658370238.db2.gz DKCPNTHHEYMKBV-UHFFFAOYSA-N 1 3 264.395 -0.757 20 0 CBADHO CC(C)C[N@H+](C)CCCNS(=O)(=O)C1CNC1 ZINC000923652106 658379863 /nfs/dbraw/zinc/37/98/63/658379863.db2.gz IERPNTFFJZYZLU-UHFFFAOYSA-N 1 3 263.407 -0.145 20 0 CBADHO CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1CNC1 ZINC000923652106 658379874 /nfs/dbraw/zinc/37/98/74/658379874.db2.gz IERPNTFFJZYZLU-UHFFFAOYSA-N 1 3 263.407 -0.145 20 0 CBADHO [NH3+]Cc1ccc(CNS(=O)(=O)C2CNC2)c(F)c1 ZINC000923653323 658379928 /nfs/dbraw/zinc/37/99/28/658379928.db2.gz YJMKAGRBAHMNDP-UHFFFAOYSA-N 1 3 273.333 -0.324 20 0 CBADHO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)N1CCNCC1 ZINC000923655658 658381554 /nfs/dbraw/zinc/38/15/54/658381554.db2.gz LKVAAYGJLOZORY-NSHDSACASA-N 1 3 276.406 -0.790 20 0 CBADHO O=S(=O)(N[C@@H]1CC[NH2+]C12CCCC2)N1CCNCC1 ZINC000923656902 658382218 /nfs/dbraw/zinc/38/22/18/658382218.db2.gz VTSZMLVROFDGMT-LLVKDONJSA-N 1 3 288.417 -0.599 20 0 CBADHO CN(CCO)CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000925005937 658749247 /nfs/dbraw/zinc/74/92/47/658749247.db2.gz RMYWLGUXPUYVEI-UHFFFAOYSA-N 1 3 283.376 -0.901 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCO ZINC000925014186 658766603 /nfs/dbraw/zinc/76/66/03/658766603.db2.gz FCBLPKZHXNQLCW-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCO ZINC000925014186 658766675 /nfs/dbraw/zinc/76/66/75/658766675.db2.gz FCBLPKZHXNQLCW-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO OCCCN1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925678529 658864734 /nfs/dbraw/zinc/86/47/34/658864734.db2.gz FPCMPWKKSDXQMB-OLZOCXBDSA-N 1 3 257.378 -0.589 20 0 CBADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCn1cc(CO)nn1 ZINC000925668675 658864748 /nfs/dbraw/zinc/86/47/48/658864748.db2.gz JSINOSUWEYOSSX-PWSUYJOCSA-N 1 3 253.350 -0.109 20 0 CBADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788397 658872367 /nfs/dbraw/zinc/87/23/67/658872367.db2.gz IFYWKJJFLGTVKR-YNEHKIRRSA-N 1 3 289.445 -0.130 20 0 CBADHO CN(C)[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000091393176 656057727 /nfs/dbraw/zinc/05/77/27/656057727.db2.gz IYTHVMVMXGZDMR-LLVKDONJSA-N 1 3 276.406 -0.838 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000225446214 656106704 /nfs/dbraw/zinc/10/67/04/656106704.db2.gz AIJARCWTQUZDEO-RKDXNWHRSA-N 1 3 283.294 -0.304 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227392825 656108262 /nfs/dbraw/zinc/10/82/62/656108262.db2.gz ULQBURJLSDKKHO-TUAOUCFPSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227392825 656108266 /nfs/dbraw/zinc/10/82/66/656108266.db2.gz ULQBURJLSDKKHO-TUAOUCFPSA-N 1 3 255.362 -0.097 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN)CC1 ZINC000237609272 656117264 /nfs/dbraw/zinc/11/72/64/656117264.db2.gz OCTXOWJSOJKMPR-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO CN(C)C(=O)CN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000700787168 656177173 /nfs/dbraw/zinc/17/71/73/656177173.db2.gz WIDMPQYWCIJQLC-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO COC(=O)N(C)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000701589954 656179511 /nfs/dbraw/zinc/17/95/11/656179511.db2.gz BCBAPIXSYPDENY-LLVKDONJSA-N 1 3 259.350 -0.269 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000707966061 656191170 /nfs/dbraw/zinc/19/11/70/656191170.db2.gz KRGSHRXXCBEITG-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270157 656207300 /nfs/dbraw/zinc/20/73/00/656207300.db2.gz BKITUCOBQHKBKM-CYBMUJFWSA-N 1 3 282.432 -0.014 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000715540943 656220103 /nfs/dbraw/zinc/22/01/03/656220103.db2.gz URWQDUIGUPAELQ-NXEZZACHSA-N 1 3 261.391 -0.250 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399654 656247277 /nfs/dbraw/zinc/24/72/77/656247277.db2.gz OMSPJCQLMSHVRY-MDZLAQPJSA-N 1 3 253.346 -0.234 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884787519 656255011 /nfs/dbraw/zinc/25/50/11/656255011.db2.gz UWNSOVKUIHZVLR-WOPDTQHZSA-N 1 3 282.388 -0.465 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787654 656255334 /nfs/dbraw/zinc/25/53/34/656255334.db2.gz YKWQAAXGEZAPIA-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO CC[NH+]1CCC(NC[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905025532 656334844 /nfs/dbraw/zinc/33/48/44/656334844.db2.gz LGTZIRMZYOSFEC-CYBMUJFWSA-N 1 3 272.389 -0.037 20 0 CBADHO O[C@H](CN[C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100392 656338898 /nfs/dbraw/zinc/33/88/98/656338898.db2.gz DRCHZLFBRVBVLL-UONOGXRCSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CN[C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100392 656338900 /nfs/dbraw/zinc/33/89/00/656338900.db2.gz DRCHZLFBRVBVLL-UONOGXRCSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905340946 656349795 /nfs/dbraw/zinc/34/97/95/656349795.db2.gz KFXKTNNVRJJTAP-CYBMUJFWSA-N 1 3 272.389 -0.301 20 0 CBADHO O[C@H](C[NH2+]CCO[C@H]1CCOC1)CN1CCCC1 ZINC000905606162 656363708 /nfs/dbraw/zinc/36/37/08/656363708.db2.gz DEJDHCFPASWDGT-OLZOCXBDSA-N 1 3 258.362 -0.162 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302076 656407490 /nfs/dbraw/zinc/40/74/90/656407490.db2.gz VZHKZFDLYIOUEA-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCO)CC1 ZINC000996619005 656447742 /nfs/dbraw/zinc/44/77/42/656447742.db2.gz JCUPSFNNIBPOKO-KBPBESRZSA-N 1 3 297.399 -0.578 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC000996997081 656463593 /nfs/dbraw/zinc/46/35/93/656463593.db2.gz DZBGAFPVZDGQMJ-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC000997307830 656472788 /nfs/dbraw/zinc/47/27/88/656472788.db2.gz WYLYYNOTZIIDCM-CYBMUJFWSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCO)C1 ZINC000998535732 656544722 /nfs/dbraw/zinc/54/47/22/656544722.db2.gz PMDSVNFCMHKTHL-MCIGGMRASA-N 1 3 255.362 -0.348 20 0 CBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(N)=O)C1 ZINC000999834105 656655769 /nfs/dbraw/zinc/65/57/69/656655769.db2.gz RGVHGZZDIPQAJO-UHFFFAOYSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001000020861 656681294 /nfs/dbraw/zinc/68/12/94/656681294.db2.gz QREWMDMEJYTBSJ-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001000020861 656681303 /nfs/dbraw/zinc/68/13/03/656681303.db2.gz QREWMDMEJYTBSJ-RWMBFGLXSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001000219988 656703372 /nfs/dbraw/zinc/70/33/72/656703372.db2.gz QPXOTGVPAFEWLJ-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000314428 656711138 /nfs/dbraw/zinc/71/11/38/656711138.db2.gz WOJBCGXENUJGMA-WDEREUQCSA-N 1 3 266.345 -0.086 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000687714 656759300 /nfs/dbraw/zinc/75/93/00/656759300.db2.gz HMPKOMLQPDHLNQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000687714 656759302 /nfs/dbraw/zinc/75/93/02/656759302.db2.gz HMPKOMLQPDHLNQ-NWDGAFQWSA-N 1 3 282.388 -0.606 20 0 CBADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272566 656804132 /nfs/dbraw/zinc/80/41/32/656804132.db2.gz LDQYDOVWFSPRNL-OCCSQVGLSA-N 1 3 285.388 -0.986 20 0 CBADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272571 656804436 /nfs/dbraw/zinc/80/44/36/656804436.db2.gz LDQYDOVWFSPRNL-TZMCWYRMSA-N 1 3 285.388 -0.986 20 0 CBADHO C[NH+]1CCC(C(=O)NC2CCN(CCO)CC2)CC1 ZINC001003548467 656862568 /nfs/dbraw/zinc/86/25/68/656862568.db2.gz RHAVMEHWLOPGEY-UHFFFAOYSA-N 1 3 269.389 -0.099 20 0 CBADHO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCCCC1 ZINC000910960867 656914922 /nfs/dbraw/zinc/91/49/22/656914922.db2.gz XBVRXNMIKXVLLA-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000911222277 656991149 /nfs/dbraw/zinc/99/11/49/656991149.db2.gz BYTWKXKMVZAHJO-LLVKDONJSA-N 1 3 280.372 -0.806 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000911268004 657003095 /nfs/dbraw/zinc/00/30/95/657003095.db2.gz SSOXJHQYPBPDPD-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911270038 657004576 /nfs/dbraw/zinc/00/45/76/657004576.db2.gz GWNFFYAOPTUSNV-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000911274690 657007110 /nfs/dbraw/zinc/00/71/10/657007110.db2.gz QPAHWUREPRQWMV-GFCCVEGCSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911279045 657007662 /nfs/dbraw/zinc/00/76/62/657007662.db2.gz AVHSNIIRNSGYEW-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911294709 657012844 /nfs/dbraw/zinc/01/28/44/657012844.db2.gz WDXSBQPEYDMDAQ-GFCCVEGCSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911296323 657013118 /nfs/dbraw/zinc/01/31/18/657013118.db2.gz LNTZKCNAEVZYRA-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911305051 657016531 /nfs/dbraw/zinc/01/65/31/657016531.db2.gz FDWVXRMRDBETPT-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000911365132 657028133 /nfs/dbraw/zinc/02/81/33/657028133.db2.gz BUISMGMEMZESPA-GRYCIOLGSA-N 1 3 282.388 -0.737 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911378350 657031853 /nfs/dbraw/zinc/03/18/53/657031853.db2.gz PYBFZVPLEPZCGQ-OLZOCXBDSA-N 1 3 298.431 -0.243 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488394 657055425 /nfs/dbraw/zinc/05/54/25/657055425.db2.gz YRCQYHWFYGUEHG-AGIUHOORSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911495794 657055471 /nfs/dbraw/zinc/05/54/71/657055471.db2.gz UQYDEIKPSADALK-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503683 657057250 /nfs/dbraw/zinc/05/72/50/657057250.db2.gz QFWVOTQJVWAWJE-UHFFFAOYSA-N 1 3 268.361 -0.852 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCC[C@H](C)C1 ZINC000911502374 657057724 /nfs/dbraw/zinc/05/77/24/657057724.db2.gz GDTCDPKMCJOIBK-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N1CCC[C@H](C)C1 ZINC000911502373 657057736 /nfs/dbraw/zinc/05/77/36/657057736.db2.gz GDTCDPKMCJOIBK-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@H]1[NH3+] ZINC000911533274 657070226 /nfs/dbraw/zinc/07/02/26/657070226.db2.gz ONJJNWJVFGHHEQ-VXGBXAGGSA-N 1 3 296.415 -0.360 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911633293 657091083 /nfs/dbraw/zinc/09/10/83/657091083.db2.gz GOARKKSTLZKYQS-RYUDHWBXSA-N 1 3 254.378 -0.652 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CNCCN1C ZINC000911684278 657103618 /nfs/dbraw/zinc/10/36/18/657103618.db2.gz MPDAFIXGMKTJPA-TUAOUCFPSA-N 1 3 254.378 -0.382 20 0 CBADHO CC[C@H](C)C[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000911694340 657104579 /nfs/dbraw/zinc/10/45/79/657104579.db2.gz VAZCYHKJNDZVON-NWDGAFQWSA-N 1 3 256.394 -0.229 20 0 CBADHO CC[C@@H](C)C[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000911694343 657105218 /nfs/dbraw/zinc/10/52/18/657105218.db2.gz VAZCYHKJNDZVON-VXGBXAGGSA-N 1 3 256.394 -0.229 20 0 CBADHO C[NH2+]CCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC000911748488 657121167 /nfs/dbraw/zinc/12/11/67/657121167.db2.gz NKBHRIXOABCPBW-LLVKDONJSA-N 1 3 276.340 -0.152 20 0 CBADHO CCCN(C(=O)[C@@H]1CNCCN1C)[C@H]1CC[NH2+]C1 ZINC000911766336 657124773 /nfs/dbraw/zinc/12/47/73/657124773.db2.gz DPIPGGWNZBIQMJ-RYUDHWBXSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911827373 657142451 /nfs/dbraw/zinc/14/24/51/657142451.db2.gz WZGZASGSXSIFQI-QJPTWQEYSA-N 1 3 254.378 -0.524 20 0 CBADHO CC1(C)CNCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911848408 657147156 /nfs/dbraw/zinc/14/71/56/657147156.db2.gz VCGCFNGCBVEFLO-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911851368 657147212 /nfs/dbraw/zinc/14/72/12/657147212.db2.gz GSTBZNDMLZCLSF-GRYCIOLGSA-N 1 3 252.362 -0.757 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000912461631 657269253 /nfs/dbraw/zinc/26/92/53/657269253.db2.gz KSAQFIRXXJZMKB-UHFFFAOYSA-N 1 3 296.415 -0.439 20 0 CBADHO CN(CCO)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000912599118 657290440 /nfs/dbraw/zinc/29/04/40/657290440.db2.gz IHJIIOYXYRBIQE-UHFFFAOYSA-N 1 3 257.378 -0.289 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](N3CCC3)C2)C1 ZINC000912898072 657356357 /nfs/dbraw/zinc/35/63/57/657356357.db2.gz GINYCRBDPVGSDS-AWEZNQCLSA-N 1 3 280.416 -0.214 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](N3CCC3)C2)C1 ZINC000912898072 657356360 /nfs/dbraw/zinc/35/63/60/657356360.db2.gz GINYCRBDPVGSDS-AWEZNQCLSA-N 1 3 280.416 -0.214 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000913351627 657445297 /nfs/dbraw/zinc/44/52/97/657445297.db2.gz JHGUZFLGPWLRST-GXTWGEPZSA-N 1 3 285.388 -0.984 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000913351627 657445294 /nfs/dbraw/zinc/44/52/94/657445294.db2.gz JHGUZFLGPWLRST-GXTWGEPZSA-N 1 3 285.388 -0.984 20 0 CBADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(CCO)C2)CC1 ZINC001015796337 657550282 /nfs/dbraw/zinc/55/02/82/657550282.db2.gz KQHPMMJXOBRYOZ-ZDUSSCGKSA-N 1 3 269.389 -0.099 20 0 CBADHO COCCN(C)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000916331533 657771255 /nfs/dbraw/zinc/77/12/55/657771255.db2.gz OZFVKNSJPKXBQP-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NC2CCN(CCO)CC2)CC[N@@H+]1C ZINC000917836472 657818217 /nfs/dbraw/zinc/81/82/17/657818217.db2.gz FZIYZHVDUBEALY-YPMHNXCESA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NC2CCN(CCO)CC2)CC[N@H+]1C ZINC000917836472 657818219 /nfs/dbraw/zinc/81/82/19/657818219.db2.gz FZIYZHVDUBEALY-YPMHNXCESA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NC2CCN(CCO)CC2)CC[N@@H+]1C ZINC000917836455 657818665 /nfs/dbraw/zinc/81/86/65/657818665.db2.gz FZIYZHVDUBEALY-AAEUAGOBSA-N 1 3 284.404 -0.165 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NC2CCN(CCO)CC2)CC[N@H+]1C ZINC000917836455 657818667 /nfs/dbraw/zinc/81/86/67/657818667.db2.gz FZIYZHVDUBEALY-AAEUAGOBSA-N 1 3 284.404 -0.165 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018838391 657849397 /nfs/dbraw/zinc/84/93/97/657849397.db2.gz ZEDGALVAFFQQRI-NWDGAFQWSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018838391 657849402 /nfs/dbraw/zinc/84/94/02/657849402.db2.gz ZEDGALVAFFQQRI-NWDGAFQWSA-N 1 3 282.388 -0.465 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCO)C2)CCC1 ZINC001018962577 657855082 /nfs/dbraw/zinc/85/50/82/657855082.db2.gz FMQFIWDVUYTPJC-NSHDSACASA-N 1 3 255.362 -0.347 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018990949 657857061 /nfs/dbraw/zinc/85/70/61/657857061.db2.gz RSXCSZRDSSAXSB-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018990949 657857066 /nfs/dbraw/zinc/85/70/66/657857066.db2.gz RSXCSZRDSSAXSB-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1)N(C)C ZINC001019032421 657858644 /nfs/dbraw/zinc/85/86/44/657858644.db2.gz WNZGOMIFFLKNMF-GRYCIOLGSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1)N(C)C ZINC001019033385 657859077 /nfs/dbraw/zinc/85/90/77/657859077.db2.gz LVSQURNTYUWZGA-SDDRHHMPSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001019231294 657874485 /nfs/dbraw/zinc/87/44/85/657874485.db2.gz WOIAGJDDODPAON-RYUDHWBXSA-N 1 3 296.415 -0.075 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019241566 657875924 /nfs/dbraw/zinc/87/59/24/657875924.db2.gz JRZATZYEZZHPTA-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001019241686 657875970 /nfs/dbraw/zinc/87/59/70/657875970.db2.gz UTRPUPJJVYBZKO-GARJFASQSA-N 1 3 268.361 -0.855 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019274847 657879377 /nfs/dbraw/zinc/87/93/77/657879377.db2.gz RNZMBCSBMSWAPP-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019274847 657879381 /nfs/dbraw/zinc/87/93/81/657879381.db2.gz RNZMBCSBMSWAPP-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289090 657880578 /nfs/dbraw/zinc/88/05/78/657880578.db2.gz UERYVYAHHWAQDQ-RNJOBUHISA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289090 657880584 /nfs/dbraw/zinc/88/05/84/657880584.db2.gz UERYVYAHHWAQDQ-RNJOBUHISA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001019339222 657885505 /nfs/dbraw/zinc/88/55/05/657885505.db2.gz VUEPKXXTDFNNLN-SDDRHHMPSA-N 1 3 284.404 -0.363 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019382411 657891114 /nfs/dbraw/zinc/89/11/14/657891114.db2.gz ANMTZCPELHPEKJ-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019382411 657891115 /nfs/dbraw/zinc/89/11/15/657891115.db2.gz ANMTZCPELHPEKJ-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001019394654 657892568 /nfs/dbraw/zinc/89/25/68/657892568.db2.gz LVSQURNTYUWZGA-SRVKXCTJSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020589020 658076198 /nfs/dbraw/zinc/07/61/98/658076198.db2.gz UUUDSHYKILVXOI-DCAQKATOSA-N 1 3 268.361 -0.950 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588873 658077151 /nfs/dbraw/zinc/07/71/51/658077151.db2.gz OZQFXYJTPGIYSB-YVECIDJPSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001020591962 658078518 /nfs/dbraw/zinc/07/85/18/658078518.db2.gz XTYPKVKXJLJPPX-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+](C)C1(CNC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000922982317 658118345 /nfs/dbraw/zinc/11/83/45/658118345.db2.gz AGBFORZCMUQXOG-LLVKDONJSA-N 1 3 270.377 -0.554 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001020980704 658124190 /nfs/dbraw/zinc/12/41/90/658124190.db2.gz RSPKIMYOZPXYCX-LSJOCFKGSA-N 1 3 266.345 -0.122 20 0 CBADHO [NH3+]C[C@@H]1CCN(C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282497 658190635 /nfs/dbraw/zinc/19/06/35/658190635.db2.gz UXVFFVFHWVKPDB-AVGNSLFASA-N 1 3 258.362 -0.177 20 0 CBADHO CC(=O)N[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923302771 658198931 /nfs/dbraw/zinc/19/89/31/658198931.db2.gz CPBMKXBIKWDZKV-STQMWFEESA-N 1 3 267.373 -0.035 20 0 CBADHO O=C1NCCN1[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309162 658205624 /nfs/dbraw/zinc/20/56/24/658205624.db2.gz SUNWDJRPLNLFCJ-STQMWFEESA-N 1 3 294.399 -0.146 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000923324002 658209420 /nfs/dbraw/zinc/20/94/20/658209420.db2.gz NZBILXJDRIFHJV-IHRRRGAJSA-N 1 3 296.415 -0.923 20 0 CBADHO C[C@H](O)CN1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C ZINC000923322375 658209907 /nfs/dbraw/zinc/20/99/07/658209907.db2.gz KRGJGRANZFEFDV-MELADBBJSA-N 1 3 283.416 -0.248 20 0 CBADHO COC[C@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346904 658221240 /nfs/dbraw/zinc/22/12/40/658221240.db2.gz XNPQHCCHJNXAHZ-NWDGAFQWSA-N 1 3 273.377 -0.687 20 0 CBADHO CCOC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923347191 658222132 /nfs/dbraw/zinc/22/21/32/658222132.db2.gz ZORDHYROHYQCIK-OLZOCXBDSA-N 1 3 287.404 -0.297 20 0 CBADHO COC(=O)N(C)CCN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387353 658251141 /nfs/dbraw/zinc/25/11/41/658251141.db2.gz DCTXAZXJTUVMAC-LLVKDONJSA-N 1 3 271.361 -0.005 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502930 658311746 /nfs/dbraw/zinc/31/17/46/658311746.db2.gz FCULKTXZZHEACX-GUBZILKMSA-N 1 3 256.350 -0.253 20 0 CBADHO C[C@H]([NH3+])C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923569809 658332470 /nfs/dbraw/zinc/33/24/70/658332470.db2.gz GEUOORYFZGJZPF-JTQLQIEISA-N 1 3 276.406 -0.804 20 0 CBADHO [NH3+]C[C@@H](NS(=O)(=O)C1CNC1)C1CCCCC1 ZINC000923569856 658333154 /nfs/dbraw/zinc/33/31/54/658333154.db2.gz QPBGDEUWNYZXEB-LLVKDONJSA-N 1 3 261.391 -0.215 20 0 CBADHO CC[NH2+]CC1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923575736 658336199 /nfs/dbraw/zinc/33/61/99/658336199.db2.gz ZZSAIXUILKEVCY-UHFFFAOYSA-N 1 3 261.391 -0.391 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923667929 658390681 /nfs/dbraw/zinc/39/06/81/658390681.db2.gz PQNZWMPFALXPDU-VIFPVBQESA-N 1 3 261.391 -0.344 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923659935 658386406 /nfs/dbraw/zinc/38/64/06/658386406.db2.gz QMSLYHXUPZUKNU-LLVKDONJSA-N 1 3 291.417 -0.669 20 0 CBADHO C[C@H]1CN(S(=O)(=O)C2CNC2)CCN1c1cc[nH+]cc1 ZINC000923671575 658391974 /nfs/dbraw/zinc/39/19/74/658391974.db2.gz MGEUUGFEAYVKQB-NSHDSACASA-N 1 3 296.396 -0.106 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485679 658606500 /nfs/dbraw/zinc/60/65/00/658606500.db2.gz MIPWFKBODKXKSM-JQWIXIFHSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485679 658606513 /nfs/dbraw/zinc/60/65/13/658606513.db2.gz MIPWFKBODKXKSM-JQWIXIFHSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924886762 658652592 /nfs/dbraw/zinc/65/25/92/658652592.db2.gz PCFNAIGFERYPAU-GHMZBOCLSA-N 1 3 266.345 -0.295 20 0 CBADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924886762 658652596 /nfs/dbraw/zinc/65/25/96/658652596.db2.gz PCFNAIGFERYPAU-GHMZBOCLSA-N 1 3 266.345 -0.295 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CCC[N@@H+]2C)C1=O ZINC000925288042 658816232 /nfs/dbraw/zinc/81/62/32/658816232.db2.gz BGUPODHBWRYEON-NXEZZACHSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925288042 658816239 /nfs/dbraw/zinc/81/62/39/658816239.db2.gz BGUPODHBWRYEON-NXEZZACHSA-N 1 3 254.334 -0.437 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346769 658832668 /nfs/dbraw/zinc/83/26/68/658832668.db2.gz VTQBGVDFIAZQQN-GRYCIOLGSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346769 658832669 /nfs/dbraw/zinc/83/26/69/658832669.db2.gz VTQBGVDFIAZQQN-GRYCIOLGSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961765685 658833116 /nfs/dbraw/zinc/83/31/16/658833116.db2.gz RITJPAHYDIOTDB-NMKXLXIOSA-N 1 3 267.373 -0.633 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961765685 658833118 /nfs/dbraw/zinc/83/31/18/658833118.db2.gz RITJPAHYDIOTDB-NMKXLXIOSA-N 1 3 267.373 -0.633 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@H](O)CN2C)CC[N@@H+]1C ZINC000925357664 658834820 /nfs/dbraw/zinc/83/48/20/658834820.db2.gz WYNRNWIAUNISPY-WISYIIOYSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@H](O)CN2C)CC[N@H+]1C ZINC000925357664 658834821 /nfs/dbraw/zinc/83/48/21/658834821.db2.gz WYNRNWIAUNISPY-WISYIIOYSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)[C@H](C)CN1CCO ZINC000925426270 658847122 /nfs/dbraw/zinc/84/71/22/658847122.db2.gz MHRRLFPNEGYCNQ-UPJWGTAASA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@H](C)CN1CCO ZINC000925426270 658847124 /nfs/dbraw/zinc/84/71/24/658847124.db2.gz MHRRLFPNEGYCNQ-UPJWGTAASA-N 1 3 284.404 -0.213 20 0 CBADHO COCCN1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925477736 658855532 /nfs/dbraw/zinc/85/55/32/658855532.db2.gz LTEGOIMFODSLIJ-OLZOCXBDSA-N 1 3 257.378 -0.325 20 0 CBADHO OCCN1CCCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925681161 658865799 /nfs/dbraw/zinc/86/57/99/658865799.db2.gz SYRBXSNTMJYPLM-CHWSQXEVSA-N 1 3 257.378 -0.589 20 0 CBADHO CC(C)(O)CN1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925724668 658868188 /nfs/dbraw/zinc/86/81/88/658868188.db2.gz LMTMDNYEAJJBNJ-NWDGAFQWSA-N 1 3 257.378 -0.590 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926292995 658890021 /nfs/dbraw/zinc/89/00/21/658890021.db2.gz JABIDTVLWKKIRL-NWDGAFQWSA-N 1 3 282.388 -0.926 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1[NH3+] ZINC000926345483 658895779 /nfs/dbraw/zinc/89/57/79/658895779.db2.gz CPQZYXUGKQMJKE-FVCCEPFGSA-N 1 3 294.399 -0.513 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458748 658991945 /nfs/dbraw/zinc/99/19/45/658991945.db2.gz YERQOJJCHWMYSG-TZMCWYRMSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722886 659013075 /nfs/dbraw/zinc/01/30/75/659013075.db2.gz UERYVYAHHWAQDQ-ZDEQEGDKSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722886 659013089 /nfs/dbraw/zinc/01/30/89/659013089.db2.gz UERYVYAHHWAQDQ-ZDEQEGDKSA-N 1 3 296.415 -0.219 20 0 CBADHO O=C(N1CC[C@@H](N[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970490375 659059925 /nfs/dbraw/zinc/05/99/25/659059925.db2.gz QKAVQZHFWJLIMJ-NEPJUHHUSA-N 1 3 292.383 -0.839 20 0 CBADHO C[C@H](O)[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930136962 659218579 /nfs/dbraw/zinc/21/85/79/659218579.db2.gz PXFASIQTHJUFAS-CBBWQLFWSA-N 1 3 285.432 -0.314 20 0 CBADHO C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404866 659270984 /nfs/dbraw/zinc/27/09/84/659270984.db2.gz DNCYDZHMDZXTPD-STQMWFEESA-N 1 3 269.389 -0.004 20 0 CBADHO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404866 659271000 /nfs/dbraw/zinc/27/10/00/659271000.db2.gz DNCYDZHMDZXTPD-STQMWFEESA-N 1 3 269.389 -0.004 20 0 CBADHO COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000930713938 659327831 /nfs/dbraw/zinc/32/78/31/659327831.db2.gz QWAHWUBZFDSDGP-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000930713940 659328054 /nfs/dbraw/zinc/32/80/54/659328054.db2.gz QWAHWUBZFDSDGP-ZIAGYGMSSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986352348 659446199 /nfs/dbraw/zinc/44/61/99/659446199.db2.gz GKTQQMBSSUWIHX-ZYHUDNBSSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986959307 659485712 /nfs/dbraw/zinc/48/57/12/659485712.db2.gz PBSNYPYSXSMDIV-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1c[nH]cn1 ZINC000989492225 659589267 /nfs/dbraw/zinc/58/92/67/659589267.db2.gz LOJFREMSAATCSX-MWLCHTKSSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989520557 659591427 /nfs/dbraw/zinc/59/14/27/659591427.db2.gz VDVQNJUOYXNOIH-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000989665278 659606354 /nfs/dbraw/zinc/60/63/54/659606354.db2.gz CUOWYKIQTZURMD-ZDUSSCGKSA-N 1 3 269.389 -0.145 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000989665278 659606362 /nfs/dbraw/zinc/60/63/62/659606362.db2.gz CUOWYKIQTZURMD-ZDUSSCGKSA-N 1 3 269.389 -0.145 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990276317 659710995 /nfs/dbraw/zinc/71/09/95/659710995.db2.gz GYUMYSKJVDRYJN-GFCCVEGCSA-N 1 3 255.362 -0.347 20 0 CBADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC000990278438 659712167 /nfs/dbraw/zinc/71/21/67/659712167.db2.gz SFKBNHMEISGYNF-QWHCGFSZSA-N 1 3 296.415 -0.075 20 0 CBADHO C[N@@H+]1C[C@@H]2CN(CCCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933742797 659736699 /nfs/dbraw/zinc/73/66/99/659736699.db2.gz SUPJSQGEFYVWJX-MFKMUULPSA-N 1 3 268.361 -0.155 20 0 CBADHO C[N@H+]1C[C@@H]2CN(CCCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933742797 659736703 /nfs/dbraw/zinc/73/67/03/659736703.db2.gz SUPJSQGEFYVWJX-MFKMUULPSA-N 1 3 268.361 -0.155 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000935980293 659848852 /nfs/dbraw/zinc/84/88/52/659848852.db2.gz HHSVJOFOHAQMCO-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000935980293 659848856 /nfs/dbraw/zinc/84/88/56/659848856.db2.gz HHSVJOFOHAQMCO-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000935980290 659848724 /nfs/dbraw/zinc/84/87/24/659848724.db2.gz HHSVJOFOHAQMCO-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000935980290 659848726 /nfs/dbraw/zinc/84/87/26/659848726.db2.gz HHSVJOFOHAQMCO-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCO ZINC000939209592 659884392 /nfs/dbraw/zinc/88/43/92/659884392.db2.gz HVGNJKZJNIXPKL-KOLCDFICSA-N 1 3 252.318 -0.619 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCO ZINC000939209593 659884659 /nfs/dbraw/zinc/88/46/59/659884659.db2.gz HVGNJKZJNIXPKL-MWLCHTKSSA-N 1 3 252.318 -0.619 20 0 CBADHO CN(CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CCC1 ZINC000995900878 659910672 /nfs/dbraw/zinc/91/06/72/659910672.db2.gz AMFCAGWRSZZMCZ-LBPRGKRZSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)CCC1 ZINC000995889931 659910807 /nfs/dbraw/zinc/91/08/07/659910807.db2.gz XCAXMPQDIYIXSX-NSHDSACASA-N 1 3 296.415 -0.217 20 0 CBADHO c1c2c(nnc1N1CCN3CC[NH2+]C[C@H]3C1)CCNC2 ZINC001164399178 718836644 /nfs/dbraw/zinc/83/66/44/718836644.db2.gz PVOAWOVULXWXIQ-LBPRGKRZSA-N 1 3 274.372 -0.784 20 0 CBADHO COC1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000386056980 790545244 /nfs/dbraw/zinc/54/52/44/790545244.db2.gz GMDSBRVWBGDCRN-OLZOCXBDSA-N 1 3 297.399 -0.266 20 0 CBADHO COC[C@]1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000387009194 790551691 /nfs/dbraw/zinc/55/16/91/790551691.db2.gz XTWPGUNWOFBBKU-YDHLFZDLSA-N 1 3 297.399 -0.408 20 0 CBADHO CC(C)OC[C@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC000397589489 790593932 /nfs/dbraw/zinc/59/39/32/790593932.db2.gz IWHNLUWJSIXYNX-GFCCVEGCSA-N 1 3 260.378 -0.181 20 0 CBADHO [NH3+]C1(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000398084082 790594066 /nfs/dbraw/zinc/59/40/66/790594066.db2.gz PCKFHAFEJAJEBN-WDEREUQCSA-N 1 3 253.346 -0.153 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690669419 790672475 /nfs/dbraw/zinc/67/24/75/790672475.db2.gz UAJPZOBQTNDGPI-TUAOUCFPSA-N 1 3 275.418 -0.002 20 0 CBADHO CC(C)COC[C@H](O)CNC[C@]1(O)CC[N@H+](C)C1 ZINC000702571150 790721245 /nfs/dbraw/zinc/72/12/45/790721245.db2.gz WLMXCYYAYJWYRA-CHWSQXEVSA-N 1 3 260.378 -0.324 20 0 CBADHO CC(C)COC[C@H](O)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000702571150 790721252 /nfs/dbraw/zinc/72/12/52/790721252.db2.gz WLMXCYYAYJWYRA-CHWSQXEVSA-N 1 3 260.378 -0.324 20 0 CBADHO C[C@H]1[C@H](NC(=O)c2c(C[NH3+])cnn2C)CCN1C ZINC000719410861 790761169 /nfs/dbraw/zinc/76/11/69/790761169.db2.gz RPILOUGYNOHBIJ-WCBMZHEXSA-N 1 3 251.334 -0.299 20 0 CBADHO O=S(=O)(NCCC[NH+]1CCCCC1)C1CNC1 ZINC000722213418 790790137 /nfs/dbraw/zinc/79/01/37/790790137.db2.gz WNGQQMXQXOTREE-UHFFFAOYSA-N 1 3 261.391 -0.246 20 0 CBADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 ZINC000723672682 790802863 /nfs/dbraw/zinc/80/28/63/790802863.db2.gz QRFLDKDEJIZOLB-SECBINFHSA-N 1 3 254.334 -0.355 20 0 CBADHO [NH3+]CC[C@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 ZINC000723672850 790802972 /nfs/dbraw/zinc/80/29/72/790802972.db2.gz SMCKJWBHEMKMJU-RYUDHWBXSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022715978 791040070 /nfs/dbraw/zinc/04/00/70/791040070.db2.gz OZQFXYJTPGIYSB-ZDEQEGDKSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)C(N)=O ZINC001022712253 791040312 /nfs/dbraw/zinc/04/03/12/791040312.db2.gz NNWHXSVFUYXVPQ-KKOKHZNYSA-N 1 3 282.388 -0.419 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001022713747 791040575 /nfs/dbraw/zinc/04/05/75/791040575.db2.gz MBXMKESTYLXVPD-WUHRBBMRSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001022714526 791040766 /nfs/dbraw/zinc/04/07/66/791040766.db2.gz WFBQWJIXQBHJQS-KKOKHZNYSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892098 814924667 /nfs/dbraw/zinc/92/46/67/814924667.db2.gz HZGNUPPDQHWEGP-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892098 814924669 /nfs/dbraw/zinc/92/46/69/814924669.db2.gz HZGNUPPDQHWEGP-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147886280 814924936 /nfs/dbraw/zinc/92/49/36/814924936.db2.gz SWTYZGBPYVCUQR-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147886280 814924941 /nfs/dbraw/zinc/92/49/41/814924941.db2.gz SWTYZGBPYVCUQR-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001078229308 805859380 /nfs/dbraw/zinc/85/93/80/805859380.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001078229308 805859389 /nfs/dbraw/zinc/85/93/89/805859389.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078229308 805859400 /nfs/dbraw/zinc/85/94/00/805859400.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 1 3 299.415 -0.596 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078229308 805859409 /nfs/dbraw/zinc/85/94/09/805859409.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001147900683 814926428 /nfs/dbraw/zinc/92/64/28/814926428.db2.gz UIULCHPYVGBVPP-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001147900683 814926431 /nfs/dbraw/zinc/92/64/31/814926431.db2.gz UIULCHPYVGBVPP-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383529 805976406 /nfs/dbraw/zinc/97/64/06/805976406.db2.gz IZNHKNVCRJYFMK-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977009 814927957 /nfs/dbraw/zinc/92/79/57/814927957.db2.gz GDYTYLGRIIDCCQ-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO O=C(NCCN[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001147977758 814927964 /nfs/dbraw/zinc/92/79/64/814927964.db2.gz XHQYYASALXXBBF-LLVKDONJSA-N 1 3 280.372 -0.933 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082508344 806184800 /nfs/dbraw/zinc/18/48/00/806184800.db2.gz ZZWSVWLAZCFMPJ-JHJVBQTASA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082508344 806184804 /nfs/dbraw/zinc/18/48/04/806184804.db2.gz ZZWSVWLAZCFMPJ-JHJVBQTASA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(N)=O ZINC001082515386 806185183 /nfs/dbraw/zinc/18/51/83/806185183.db2.gz MHCKBFBVUVYLPY-KGYLQXTDSA-N 1 3 294.399 -0.750 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCO ZINC001082559310 806185686 /nfs/dbraw/zinc/18/56/86/806185686.db2.gz AYLYEJMAXXGWFD-RAIGVLPGSA-N 1 3 269.389 -0.245 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082943368 806198639 /nfs/dbraw/zinc/19/86/39/806198639.db2.gz GKAUTVIEXYBNRJ-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466479 806335490 /nfs/dbraw/zinc/33/54/90/806335490.db2.gz WCUYXAPYEKDIJA-MJBXVCDLSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472501 806337100 /nfs/dbraw/zinc/33/71/00/806337100.db2.gz BASSWFRGCNOQCI-ZRJCITRHSA-N 1 3 281.400 -0.102 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472501 806337109 /nfs/dbraw/zinc/33/71/09/806337109.db2.gz BASSWFRGCNOQCI-ZRJCITRHSA-N 1 3 281.400 -0.102 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 ZINC001083749493 806421909 /nfs/dbraw/zinc/42/19/09/806421909.db2.gz CLZYNYNUYNXIAO-KGLIPLIRSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083953505 806466729 /nfs/dbraw/zinc/46/67/29/806466729.db2.gz VINQNQMYVNGBEV-MCIONIFRSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083953505 806466733 /nfs/dbraw/zinc/46/67/33/806466733.db2.gz VINQNQMYVNGBEV-MCIONIFRSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083953506 806467790 /nfs/dbraw/zinc/46/77/90/806467790.db2.gz VINQNQMYVNGBEV-MJBXVCDLSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083953506 806467793 /nfs/dbraw/zinc/46/77/93/806467793.db2.gz VINQNQMYVNGBEV-MJBXVCDLSA-N 1 3 281.400 -0.101 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954849 806468466 /nfs/dbraw/zinc/46/84/66/806468466.db2.gz LLHOPEBMLKXWAO-XQQFMLRXSA-N 1 3 269.389 -0.102 20 0 CBADHO CC(C)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954849 806468470 /nfs/dbraw/zinc/46/84/70/806468470.db2.gz LLHOPEBMLKXWAO-XQQFMLRXSA-N 1 3 269.389 -0.102 20 0 CBADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958869 806470660 /nfs/dbraw/zinc/47/06/60/806470660.db2.gz ZYDKOASXFSNDPL-OLZOCXBDSA-N 1 3 279.384 -0.347 20 0 CBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2CCO)C1 ZINC001085782239 806609136 /nfs/dbraw/zinc/60/91/36/806609136.db2.gz PQZWJMWDLGLTDC-KGLIPLIRSA-N 1 3 299.415 -0.379 20 0 CBADHO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2CCO)C1 ZINC001085782239 806609149 /nfs/dbraw/zinc/60/91/49/806609149.db2.gz PQZWJMWDLGLTDC-KGLIPLIRSA-N 1 3 299.415 -0.379 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026561360 799009634 /nfs/dbraw/zinc/00/96/34/799009634.db2.gz XTPCSNUPTBLJEG-PNESKVBLSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2CCO)CC1 ZINC001028117555 799111101 /nfs/dbraw/zinc/11/11/01/799111101.db2.gz QVPDDZNWZWJWOY-CYBMUJFWSA-N 1 3 269.389 -0.099 20 0 CBADHO CCN1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688950 799533405 /nfs/dbraw/zinc/53/34/05/799533405.db2.gz OILBZQODFMZULL-STQMWFEESA-N 1 3 267.373 -0.083 20 0 CBADHO CCN1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688950 799533409 /nfs/dbraw/zinc/53/34/09/799533409.db2.gz OILBZQODFMZULL-STQMWFEESA-N 1 3 267.373 -0.083 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(CCO)C1 ZINC001033593852 799768825 /nfs/dbraw/zinc/76/88/25/799768825.db2.gz NAGHWUFKSWNNKE-LBPRGKRZSA-N 1 3 267.373 -0.393 20 0 CBADHO C[C@H](O)CN1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033596472 799771511 /nfs/dbraw/zinc/77/15/11/799771511.db2.gz ZSXKFKXUUCDXRI-QWHCGFSZSA-N 1 3 281.400 -0.004 20 0 CBADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001034040569 799805884 /nfs/dbraw/zinc/80/58/84/799805884.db2.gz VNLDUTZGIXDFTA-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCO)C1 ZINC001034040569 799805889 /nfs/dbraw/zinc/80/58/89/799805889.db2.gz VNLDUTZGIXDFTA-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034734697 799854342 /nfs/dbraw/zinc/85/43/42/799854342.db2.gz VOCYYHSOGQOHFW-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035853500 799966128 /nfs/dbraw/zinc/96/61/28/799966128.db2.gz XYGOFPRDWDZJAZ-ZDUSSCGKSA-N 1 3 281.400 -0.145 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035853500 799966131 /nfs/dbraw/zinc/96/61/31/799966131.db2.gz XYGOFPRDWDZJAZ-ZDUSSCGKSA-N 1 3 281.400 -0.145 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036064056 799976000 /nfs/dbraw/zinc/97/60/00/799976000.db2.gz LJSZPKQVCSSBLB-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCC1 ZINC001044858271 801673777 /nfs/dbraw/zinc/67/37/77/801673777.db2.gz QZNKEZPLCQHCDJ-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)CC[N@@H+]1C ZINC001046330072 801751856 /nfs/dbraw/zinc/75/18/56/801751856.db2.gz WADRVUKYVXRGSM-YRGRVCCFSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)CC[N@H+]1C ZINC001046330072 801751862 /nfs/dbraw/zinc/75/18/62/801751862.db2.gz WADRVUKYVXRGSM-YRGRVCCFSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@]2(C)CCN(CCO)C2)CC1 ZINC001046589002 801777386 /nfs/dbraw/zinc/77/73/86/801777386.db2.gz WTIQGCXQOHBNGY-CQSZACIVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046838123 801795992 /nfs/dbraw/zinc/79/59/92/801795992.db2.gz FITKYEZFIWRJBD-AAEUAGOBSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046838123 801795998 /nfs/dbraw/zinc/79/59/98/801795998.db2.gz FITKYEZFIWRJBD-AAEUAGOBSA-N 1 3 255.362 -0.489 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047514304 801889745 /nfs/dbraw/zinc/88/97/45/801889745.db2.gz ZZOBOPGZPSPBGD-STQMWFEESA-N 1 3 269.389 -0.148 20 0 CBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863948 801975857 /nfs/dbraw/zinc/97/58/57/801975857.db2.gz QOWVOZKDGOLDLC-MJBXVCDLSA-N 1 3 281.400 -0.291 20 0 CBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C1CC1 ZINC001048863948 801975872 /nfs/dbraw/zinc/97/58/72/801975872.db2.gz QOWVOZKDGOLDLC-MJBXVCDLSA-N 1 3 281.400 -0.291 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001054298326 802332324 /nfs/dbraw/zinc/33/23/24/802332324.db2.gz FKHMPERYHUUPLC-TUAOUCFPSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001054734148 802366798 /nfs/dbraw/zinc/36/67/98/802366798.db2.gz ASXOYZMGWGZGOJ-DGCLKSJQSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054742361 802368158 /nfs/dbraw/zinc/36/81/58/802368158.db2.gz ZDFHOEDDNJXZTP-WDEREUQCSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054742358 802368587 /nfs/dbraw/zinc/36/85/87/802368587.db2.gz ZDFHOEDDNJXZTP-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001054968568 802382024 /nfs/dbraw/zinc/38/20/24/802382024.db2.gz KCZDILWIFHEBSW-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO NCC(C[NH3+])NCCn1cnc2ccccc2c1=O ZINC001119682681 812866981 /nfs/dbraw/zinc/86/69/81/812866981.db2.gz QUZGVEQVFHMOSR-UHFFFAOYSA-N 1 3 261.329 -0.728 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121928589 813092482 /nfs/dbraw/zinc/09/24/82/813092482.db2.gz RCNXKVRMYWIMAZ-KGLIPLIRSA-N 1 3 297.447 -0.968 20 0 CBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCCN1C ZINC001122368088 813154749 /nfs/dbraw/zinc/15/47/49/813154749.db2.gz MGUHCRIFZITPMG-UTUOFQBUSA-N 1 3 257.378 -0.197 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001122367750 813154928 /nfs/dbraw/zinc/15/49/28/813154928.db2.gz BUKDQBBXEHKADQ-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN1CC[C@H]([NH2+]CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001129356114 813838165 /nfs/dbraw/zinc/83/81/65/813838165.db2.gz BLXRQEKTGHAOCM-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357379 813838226 /nfs/dbraw/zinc/83/82/26/813838226.db2.gz KCOQBXIKXKKKFE-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001133291653 814237915 /nfs/dbraw/zinc/23/79/15/814237915.db2.gz USRMHPNTMGJENY-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133294270 814238308 /nfs/dbraw/zinc/23/83/08/814238308.db2.gz AFXUKGHKWHMNIG-UHFFFAOYSA-N 1 3 270.377 -0.735 20 0 CBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NCC1CC1)[NH+](C)C ZINC001133415696 814250223 /nfs/dbraw/zinc/25/02/23/814250223.db2.gz KRJSEMSUCMFPDZ-CQSZACIVSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N(C)C)[NH+](C)C ZINC001133415587 814250357 /nfs/dbraw/zinc/25/03/57/814250357.db2.gz FJFWDDSSMSQOLG-GFCCVEGCSA-N 1 3 272.393 -0.633 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833905 814304296 /nfs/dbraw/zinc/30/42/96/814304296.db2.gz JGGMHRZCUBLNQP-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833905 814304303 /nfs/dbraw/zinc/30/43/03/814304303.db2.gz JGGMHRZCUBLNQP-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001148360436 814939800 /nfs/dbraw/zinc/93/98/00/814939800.db2.gz VAGFBPBHCCGYHR-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC1CC1 ZINC001148360315 814939809 /nfs/dbraw/zinc/93/98/09/814939809.db2.gz QHEGAUDFIOLKQU-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001148577821 814951505 /nfs/dbraw/zinc/95/15/05/814951505.db2.gz FEUFUYMAFFRYEF-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001148577821 814951506 /nfs/dbraw/zinc/95/15/06/814951506.db2.gz FEUFUYMAFFRYEF-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001148571151 814951602 /nfs/dbraw/zinc/95/16/02/814951602.db2.gz YAKIEHLWCCFAAE-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001148571151 814951607 /nfs/dbraw/zinc/95/16/07/814951607.db2.gz YAKIEHLWCCFAAE-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001148570798 814951799 /nfs/dbraw/zinc/95/17/99/814951799.db2.gz MJWUDRAEDZCMPQ-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001148570798 814951803 /nfs/dbraw/zinc/95/18/03/814951803.db2.gz MJWUDRAEDZCMPQ-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001148642930 814954025 /nfs/dbraw/zinc/95/40/25/814954025.db2.gz QSTPJZXKCHYAJW-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001148642064 814954790 /nfs/dbraw/zinc/95/47/90/814954790.db2.gz DEQOKPRCTLXWFT-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001321978103 803845995 /nfs/dbraw/zinc/84/59/95/803845995.db2.gz LELUIOAQOOODGT-QWHCGFSZSA-N 1 3 296.419 -0.041 20 0 CBADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCO)CCC1 ZINC001322543160 803909184 /nfs/dbraw/zinc/90/91/84/803909184.db2.gz IUWONYCZQAVPQJ-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO COC[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322648073 803923809 /nfs/dbraw/zinc/92/38/09/803923809.db2.gz IFVPHALTRPRPKJ-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CN(CCC[NH2+]CCn1cncn1)C(=O)Cc1c[nH]cn1 ZINC001322710773 803930802 /nfs/dbraw/zinc/93/08/02/803930802.db2.gz LNMBOVLNNJJOPQ-UHFFFAOYSA-N 1 3 291.359 -0.318 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC001325429075 804287154 /nfs/dbraw/zinc/28/71/54/804287154.db2.gz VUNMTLMIGJDIJI-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150241155 815022389 /nfs/dbraw/zinc/02/23/89/815022389.db2.gz MMIJUOJONDZGAY-LBPRGKRZSA-N 1 3 273.377 -0.863 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048490 815052524 /nfs/dbraw/zinc/05/25/24/815052524.db2.gz BOVKNYZEHGLWDJ-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048490 815052533 /nfs/dbraw/zinc/05/25/33/815052533.db2.gz BOVKNYZEHGLWDJ-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001151043593 815053054 /nfs/dbraw/zinc/05/30/54/815053054.db2.gz GOXZMIQGDWNEGX-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001151043593 815053059 /nfs/dbraw/zinc/05/30/59/815053059.db2.gz GOXZMIQGDWNEGX-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](n2ccnn2)C1 ZINC001069902551 805163766 /nfs/dbraw/zinc/16/37/66/805163766.db2.gz CLZXSJUYKJUPHF-UPJWGTAASA-N 1 3 292.387 -0.266 20 0 CBADHO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](n2ccnn2)C1 ZINC001069902551 805163771 /nfs/dbraw/zinc/16/37/71/805163771.db2.gz CLZXSJUYKJUPHF-UPJWGTAASA-N 1 3 292.387 -0.266 20 0 CBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064978 815054018 /nfs/dbraw/zinc/05/40/18/815054018.db2.gz GLDGPJIOPKRQGB-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064978 815054023 /nfs/dbraw/zinc/05/40/23/815054023.db2.gz GLDGPJIOPKRQGB-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151064981 815054695 /nfs/dbraw/zinc/05/46/95/815054695.db2.gz GLDGPJIOPKRQGB-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151064981 815054702 /nfs/dbraw/zinc/05/47/02/815054702.db2.gz GLDGPJIOPKRQGB-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CCCC[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065837 815056322 /nfs/dbraw/zinc/05/63/22/815056322.db2.gz NLNFATAENZXDNJ-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065837 815056327 /nfs/dbraw/zinc/05/63/27/815056327.db2.gz NLNFATAENZXDNJ-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151066775 815057125 /nfs/dbraw/zinc/05/71/25/815057125.db2.gz YPRWQHWEYMQNCY-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151066775 815057132 /nfs/dbraw/zinc/05/71/32/815057132.db2.gz YPRWQHWEYMQNCY-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001151065927 815057482 /nfs/dbraw/zinc/05/74/82/815057482.db2.gz OFZVZUYNVAFATN-GFCCVEGCSA-N 1 3 298.431 -0.194 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001151065927 815057488 /nfs/dbraw/zinc/05/74/88/815057488.db2.gz OFZVZUYNVAFATN-GFCCVEGCSA-N 1 3 298.431 -0.194 20 0 CBADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890995 805422353 /nfs/dbraw/zinc/42/23/53/805422353.db2.gz KONUZPITDFCUSK-KGLIPLIRSA-N 1 3 299.415 -0.208 20 0 CBADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890995 805422357 /nfs/dbraw/zinc/42/23/57/805422357.db2.gz KONUZPITDFCUSK-KGLIPLIRSA-N 1 3 299.415 -0.208 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073892025 805424679 /nfs/dbraw/zinc/42/46/79/805424679.db2.gz WTGSQZHUWWLQGE-STQMWFEESA-N 1 3 285.388 -0.863 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073892025 805424683 /nfs/dbraw/zinc/42/46/83/805424683.db2.gz WTGSQZHUWWLQGE-STQMWFEESA-N 1 3 285.388 -0.863 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074655024 805464686 /nfs/dbraw/zinc/46/46/86/805464686.db2.gz RUQWJHNXORVZOZ-DRZSPHRISA-N 1 3 294.399 -0.608 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(N)=O ZINC001074792961 805471862 /nfs/dbraw/zinc/47/18/62/805471862.db2.gz OFRUFWHNZMPQON-NOOOWODRSA-N 1 3 282.388 -0.467 20 0 CBADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(N)=O ZINC001074803948 805473199 /nfs/dbraw/zinc/47/31/99/805473199.db2.gz WXPHQLXXRWWOFS-QNWHQSFQSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)C1 ZINC001074878431 805475603 /nfs/dbraw/zinc/47/56/03/805475603.db2.gz VBZQPEUCCAKQIO-AVGNSLFASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC001075110969 805483676 /nfs/dbraw/zinc/48/36/76/805483676.db2.gz UECITPXXMYJDJK-AVGNSLFASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCCO ZINC001152145350 815107594 /nfs/dbraw/zinc/10/75/94/815107594.db2.gz BAXAVYDTWCVRQN-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(N)=O ZINC001152149647 815107671 /nfs/dbraw/zinc/10/76/71/815107671.db2.gz ZZWPMKMVFSUSEK-AOOOYVTPSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(N)=O ZINC001152149647 815107676 /nfs/dbraw/zinc/10/76/76/815107676.db2.gz ZZWPMKMVFSUSEK-AOOOYVTPSA-N 1 3 256.350 -0.950 20 0 CBADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152224411 815110525 /nfs/dbraw/zinc/11/05/25/815110525.db2.gz WTVUHZAVZYAEIU-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccn2cnnc12 ZINC001152394670 815119275 /nfs/dbraw/zinc/11/92/75/815119275.db2.gz PSPXZBUCIIMOCY-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152451916 815123156 /nfs/dbraw/zinc/12/31/56/815123156.db2.gz MACPZQNZRGHKPJ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152458758 815123894 /nfs/dbraw/zinc/12/38/94/815123894.db2.gz SNXKCTGYWKPUFM-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001152458354 815124287 /nfs/dbraw/zinc/12/42/87/815124287.db2.gz NYTKJMXGZBHREO-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471558 815124767 /nfs/dbraw/zinc/12/47/67/815124767.db2.gz MCNKPEDXJRRQEW-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CN1CC[NH2+]CC1)Nc1cc2c(nn1)CCNC2 ZINC001154751358 815237896 /nfs/dbraw/zinc/23/78/96/815237896.db2.gz FPGANHUESFWTTF-NSHDSACASA-N 1 3 276.388 -0.172 20 0 CBADHO CN(CCO)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001155250745 815273675 /nfs/dbraw/zinc/27/36/75/815273675.db2.gz CAOVGTLQHLOGNE-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3c(nn2)CCNC3)N1 ZINC001155574248 815296678 /nfs/dbraw/zinc/29/66/78/815296678.db2.gz FVTYRWHIKSKYEQ-ZWNOBZJWSA-N 1 3 274.328 -0.888 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001155790306 815310870 /nfs/dbraw/zinc/31/08/70/815310870.db2.gz JRDKIVNLDDRKPN-NSHDSACASA-N 1 3 291.417 -0.779 20 0 CBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155789926 815311320 /nfs/dbraw/zinc/31/13/20/815311320.db2.gz HZABVJIJQOQEEJ-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160635878 815647592 /nfs/dbraw/zinc/64/75/92/815647592.db2.gz MKIOGVQAKZDMDM-MFKMUULPSA-N 1 3 271.361 -0.146 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087908503 810314064 /nfs/dbraw/zinc/31/40/64/810314064.db2.gz DZVOXPFKEFEIGA-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087908503 810314071 /nfs/dbraw/zinc/31/40/71/810314071.db2.gz DZVOXPFKEFEIGA-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO COC(=O)C1(Nc2ncc3c(n2)CCNC3)CC[NH2+]CC1 ZINC001156529953 815364474 /nfs/dbraw/zinc/36/44/74/815364474.db2.gz YEIRRJYNOJOMSS-UHFFFAOYSA-N 1 3 291.355 -0.171 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCO ZINC001088981187 810370278 /nfs/dbraw/zinc/37/02/78/810370278.db2.gz GZGYBTDJHNNJNN-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCO ZINC001088981187 810370284 /nfs/dbraw/zinc/37/02/84/810370284.db2.gz GZGYBTDJHNNJNN-UPJWGTAASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCO ZINC001088981186 810370904 /nfs/dbraw/zinc/37/09/04/810370904.db2.gz GZGYBTDJHNNJNN-AGIUHOORSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCO ZINC001088981186 810370914 /nfs/dbraw/zinc/37/09/14/810370914.db2.gz GZGYBTDJHNNJNN-AGIUHOORSA-N 1 3 269.389 -0.101 20 0 CBADHO COC(=O)C1(Nc2cc(CN)ncn2)CC[NH2+]CC1 ZINC001156529943 815365011 /nfs/dbraw/zinc/36/50/11/815365011.db2.gz XMUUXDLFBPDGRX-UHFFFAOYSA-N 1 3 265.317 -0.358 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001090539505 810519920 /nfs/dbraw/zinc/51/99/20/810519920.db2.gz YKLARNPZTKUAKN-UONOGXRCSA-N 1 3 299.415 -0.738 20 0 CBADHO O=C(NCc1cc2n(n1)CCCO2)[C@@H]1C[NH2+]CC12CNC2 ZINC001157082064 815404457 /nfs/dbraw/zinc/40/44/57/815404457.db2.gz GZOWPUMSMXMHGY-NSHDSACASA-N 1 3 291.355 -0.909 20 0 CBADHO CN(C)C(=O)c1cncc(NC(=N)NCCCC[NH3+])n1 ZINC001157099215 815405545 /nfs/dbraw/zinc/40/55/45/815405545.db2.gz LBGRACFUSZPSDQ-UHFFFAOYSA-N 1 3 279.348 -0.146 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874185 810959014 /nfs/dbraw/zinc/95/90/14/810959014.db2.gz HIJMWXJTNWCECQ-OLZOCXBDSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874185 810959018 /nfs/dbraw/zinc/95/90/18/810959018.db2.gz HIJMWXJTNWCECQ-OLZOCXBDSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001099898426 810962104 /nfs/dbraw/zinc/96/21/04/810962104.db2.gz BGNJIANNVCMGFU-NWDGAFQWSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001099898426 810962110 /nfs/dbraw/zinc/96/21/10/810962110.db2.gz BGNJIANNVCMGFU-NWDGAFQWSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100067452 811010255 /nfs/dbraw/zinc/01/02/55/811010255.db2.gz RRZZLQOURMOEBX-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100067452 811010262 /nfs/dbraw/zinc/01/02/62/811010262.db2.gz RRZZLQOURMOEBX-CHWSQXEVSA-N 1 3 287.404 -0.738 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100673875 811071647 /nfs/dbraw/zinc/07/16/47/811071647.db2.gz CXGAOHXXGIBBCV-HIFPTAJRSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100673876 811072032 /nfs/dbraw/zinc/07/20/32/811072032.db2.gz CXGAOHXXGIBBCV-PNESKVBLSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NCC)C1 ZINC001100901701 811084248 /nfs/dbraw/zinc/08/42/48/811084248.db2.gz JTKNFTDBZZWWBJ-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036346 811091111 /nfs/dbraw/zinc/09/11/11/811091111.db2.gz NSRGFVBVPWERON-UHFFFAOYSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035941 811091208 /nfs/dbraw/zinc/09/12/08/811091208.db2.gz FRUKKKRCINVGMT-HIFPTAJRSA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001101037597 811091453 /nfs/dbraw/zinc/09/14/53/811091453.db2.gz UIQZMBJEXMIXFE-UHFFFAOYSA-N 1 3 257.378 -0.197 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001157323311 815423273 /nfs/dbraw/zinc/42/32/73/815423273.db2.gz OLSLUXVETQQJAB-DCAQKATOSA-N 1 3 288.367 -0.564 20 0 CBADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320780 811152905 /nfs/dbraw/zinc/15/29/05/811152905.db2.gz SRPJTDHMJINISH-JHJVBQTASA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104000061 811193111 /nfs/dbraw/zinc/19/31/11/811193111.db2.gz UWELACVRCBGTHV-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)n1nnc2ccccc21 ZINC001157420816 815431456 /nfs/dbraw/zinc/43/14/56/815431456.db2.gz AOPPEWLRUFFMMT-VIFPVBQESA-N 1 3 299.338 -0.861 20 0 CBADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H]1CCCO1 ZINC001157422490 815431570 /nfs/dbraw/zinc/43/15/70/815431570.db2.gz HNCWZKRZXJSHEX-AXFHLTTASA-N 1 3 253.346 -0.521 20 0 CBADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H]1CCCO1 ZINC001157421907 815431586 /nfs/dbraw/zinc/43/15/86/815431586.db2.gz CIIQFXIJNDDAMH-GUBZILKMSA-N 1 3 261.391 -0.311 20 0 CBADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H]1CCCO1 ZINC001157422491 815432013 /nfs/dbraw/zinc/43/20/13/815432013.db2.gz HNCWZKRZXJSHEX-DCAQKATOSA-N 1 3 253.346 -0.521 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)N(C)C ZINC001106312595 811304256 /nfs/dbraw/zinc/30/42/56/811304256.db2.gz KDMJIBDWBNMOBL-IJLUTSLNSA-N 1 3 284.404 -0.504 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106250233 811304531 /nfs/dbraw/zinc/30/45/31/811304531.db2.gz YXOYHZWKCDXMFE-QKCSRTOESA-N 1 3 296.415 -0.504 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106665122 811313323 /nfs/dbraw/zinc/31/33/23/811313323.db2.gz INTLRDKSHTVQGK-JHJVBQTASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001106666807 811313776 /nfs/dbraw/zinc/31/37/76/811313776.db2.gz WIVQEBBODQURKJ-YNEHKIRRSA-N 1 3 296.415 -0.502 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106783477 811316789 /nfs/dbraw/zinc/31/67/89/811316789.db2.gz RGPPRWKJSXOWCL-FRRDWIJNSA-N 1 3 298.431 -0.114 20 0 CBADHO COCC1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001157521815 815441107 /nfs/dbraw/zinc/44/11/07/815441107.db2.gz MATUDLRNLRQRHU-DGCLKSJQSA-N 1 3 253.346 -0.710 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCOCC3)C[C@H]1F ZINC001157536783 815442607 /nfs/dbraw/zinc/44/26/07/815442607.db2.gz QYCGZLGTHDZRMJ-MXWKQRLJSA-N 1 3 271.336 -0.490 20 0 CBADHO CN(CC(=O)N1C[C@@H](F)[C@@H](N)C1)[C@H]1CCC[NH2+]C1 ZINC001157538068 815443499 /nfs/dbraw/zinc/44/34/99/815443499.db2.gz GYHXTKWMBNMUQE-AXFHLTTASA-N 1 3 258.341 -0.822 20 0 CBADHO CN(Cc1ncccn1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157681433 815452809 /nfs/dbraw/zinc/45/28/09/815452809.db2.gz HXENQCNBIAQGJC-GFCCVEGCSA-N 1 3 263.345 -0.238 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCCO1 ZINC001157704223 815454662 /nfs/dbraw/zinc/45/46/62/815454662.db2.gz VOSDCUQFZNZNMJ-UWVGGRQHSA-N 1 3 261.391 -0.357 20 0 CBADHO COC1(C)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001157689247 815454720 /nfs/dbraw/zinc/45/47/20/815454720.db2.gz QVQDEZORMASEBZ-NSHDSACASA-N 1 3 267.373 -0.177 20 0 CBADHO C[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCCO1 ZINC001157702891 815454761 /nfs/dbraw/zinc/45/47/61/815454761.db2.gz FUHFRIMGPSYCCN-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC001157715828 815455347 /nfs/dbraw/zinc/45/53/47/815455347.db2.gz IQTXHSZJUSFRAC-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277517 811542755 /nfs/dbraw/zinc/54/27/55/811542755.db2.gz VZBAMEXNUVIBSJ-MCIONIFRSA-N 1 3 299.415 -0.068 20 0 CBADHO C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001111279940 811543874 /nfs/dbraw/zinc/54/38/74/811543874.db2.gz LUZOYLDPZJPRQE-MCIONIFRSA-N 1 3 299.415 -0.332 20 0 CBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001157717007 815456673 /nfs/dbraw/zinc/45/66/73/815456673.db2.gz WCMKOTWKBZEPMI-GWCFXTLKSA-N 1 3 287.335 -0.573 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157728751 815456771 /nfs/dbraw/zinc/45/67/71/815456771.db2.gz AGZUFNRJLLOAEZ-GUBZILKMSA-N 1 3 279.381 -0.816 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157720360 815456808 /nfs/dbraw/zinc/45/68/08/815456808.db2.gz HNJVWEHMLSJSBE-TYUFSLCMSA-N 1 3 285.388 -0.688 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@H]1CNCCO1 ZINC001157717331 815457104 /nfs/dbraw/zinc/45/71/04/815457104.db2.gz ZMBYRKGQNRDHSR-QJPTWQEYSA-N 1 3 255.362 -0.179 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)C=C1CC[NH2+]CC1 ZINC001157721435 815457274 /nfs/dbraw/zinc/45/72/74/815457274.db2.gz XVIOYXBAHFWKSL-LBPRGKRZSA-N 1 3 253.346 -0.257 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780415 815465752 /nfs/dbraw/zinc/46/57/52/815465752.db2.gz FICHUDMXYQLTAV-PWSUYJOCSA-N 1 3 261.341 -0.234 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001157792868 815467470 /nfs/dbraw/zinc/46/74/70/815467470.db2.gz FTNTZEZWFXZOPB-MIMYLULJSA-N 1 3 251.334 -0.525 20 0 CBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001157843444 815471089 /nfs/dbraw/zinc/47/10/89/815471089.db2.gz RAGQFCVCIZCDDI-OUAUKWLOSA-N 1 3 285.392 -0.652 20 0 CBADHO C[C@H]1C[C@@H](CO)N(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001157853364 815471727 /nfs/dbraw/zinc/47/17/27/815471727.db2.gz AEQYEASVHWSGIL-DLOVCJGASA-N 1 3 255.362 -0.457 20 0 CBADHO C[C@H]1C[C@@H](CO)N(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001157853430 815472227 /nfs/dbraw/zinc/47/22/27/815472227.db2.gz CDRLAZMKUOSAFL-GUBZILKMSA-N 1 3 261.391 -0.765 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@@H]1[NH3+] ZINC001157803814 815468477 /nfs/dbraw/zinc/46/84/77/815468477.db2.gz KXYKMECWIAVZRD-BAYCZWEQSA-N 1 3 261.391 -0.722 20 0 CBADHO C[C@@]1(O)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1F ZINC001157900352 815477844 /nfs/dbraw/zinc/47/78/44/815477844.db2.gz IPHZXMJAXNXEHM-JBLDHEPKSA-N 1 3 261.341 -0.236 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900579 815478001 /nfs/dbraw/zinc/47/80/01/815478001.db2.gz MSXCBOCLTWNQCP-BDAKNGLRSA-N 1 3 265.304 -0.471 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900876 815479558 /nfs/dbraw/zinc/47/95/58/815479558.db2.gz UGSPQJGGYXCQFB-BDAKNGLRSA-N 1 3 297.371 -0.518 20 0 CBADHO O=C(N1CCC[C@@](F)(CO)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157935042 815487357 /nfs/dbraw/zinc/48/73/57/815487357.db2.gz QLLVIXVPKIHWOS-VHDGCEQUSA-N 1 3 299.390 -0.101 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCNCC(F)(F)C1 ZINC001157947333 815490967 /nfs/dbraw/zinc/49/09/67/815490967.db2.gz SNGVOUQAOXISCE-QMMMGPOBSA-N 1 3 282.360 -0.927 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@@H](N)CCCC[NH3+])no1 ZINC001157983349 815494607 /nfs/dbraw/zinc/49/46/07/815494607.db2.gz NQVBLGWPOGYRTP-JTQLQIEISA-N 1 3 269.349 -0.165 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935283 815488818 /nfs/dbraw/zinc/48/88/18/815488818.db2.gz SXVAHPYJRWEITE-PWSUYJOCSA-N 1 3 261.341 -0.234 20 0 CBADHO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CC[C@H](O)CC1 ZINC001157988822 815495556 /nfs/dbraw/zinc/49/55/56/815495556.db2.gz ISXLURBMUHAFDK-SRVKXCTJSA-N 1 3 267.373 -0.443 20 0 CBADHO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@H]1CC[C@H](O)CC1 ZINC001157988821 815495964 /nfs/dbraw/zinc/49/59/64/815495964.db2.gz ISXLURBMUHAFDK-IJLUTSLNSA-N 1 3 267.373 -0.443 20 0 CBADHO CC(C)(C(=O)NCCC[NH2+]CC(N)=O)N1CCCCC1 ZINC001158073456 815500590 /nfs/dbraw/zinc/50/05/90/815500590.db2.gz NXRIMKAZURIFQI-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CC(C)C[C@@](C)(N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101279 815504047 /nfs/dbraw/zinc/50/40/47/815504047.db2.gz JENLZDLSBSYFIN-ZIAGYGMSSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114848473 812164897 /nfs/dbraw/zinc/16/48/97/812164897.db2.gz ACLHIBQXNMTNSG-RFQIPJPRSA-N 1 3 299.415 -0.618 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114848473 812164900 /nfs/dbraw/zinc/16/49/00/812164900.db2.gz ACLHIBQXNMTNSG-RFQIPJPRSA-N 1 3 299.415 -0.618 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192619 815511865 /nfs/dbraw/zinc/51/18/65/815511865.db2.gz AZIRTPCMMMNFMT-BBBLOLIVSA-N 1 3 271.311 -0.091 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115080891 812178617 /nfs/dbraw/zinc/17/86/17/812178617.db2.gz HGGWMIYUSMAYPH-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115080891 812178622 /nfs/dbraw/zinc/17/86/22/812178622.db2.gz HGGWMIYUSMAYPH-NHAGDIPZSA-N 1 3 299.415 -0.617 20 0 CBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115156708 812181708 /nfs/dbraw/zinc/18/17/08/812181708.db2.gz TZOFNRHDNLEIMV-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115156708 812181714 /nfs/dbraw/zinc/18/17/14/812181714.db2.gz TZOFNRHDNLEIMV-IMRBUKKESA-N 1 3 269.389 -0.243 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208170 815513986 /nfs/dbraw/zinc/51/39/86/815513986.db2.gz OICWINJHKDRFOE-HZLNVJGASA-N 1 3 259.375 -0.955 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1=O ZINC001158208000 815514070 /nfs/dbraw/zinc/51/40/70/815514070.db2.gz IMYOEMNYOCHOOI-SDDRHHMPSA-N 1 3 280.372 -0.711 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185713 815510568 /nfs/dbraw/zinc/51/05/68/815510568.db2.gz BROXXJXTKWWZRN-BVWOZKJXSA-N 1 3 296.415 -0.186 20 0 CBADHO O=C(N1CC2(C1)CCCO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158235462 815515286 /nfs/dbraw/zinc/51/52/86/815515286.db2.gz LDVSAWCBGCFVAL-BXUZGUMPSA-N 1 3 265.357 -0.423 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327864 815520368 /nfs/dbraw/zinc/52/03/68/815520368.db2.gz PMNPTUSCLAYIRE-FPMFFAJLSA-N 1 3 275.352 -0.206 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158339730 815521882 /nfs/dbraw/zinc/52/18/82/815521882.db2.gz UKPSWLKOJBTURV-VWYCJHECSA-N 1 3 273.402 -0.357 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)C1=O ZINC001158424907 815528665 /nfs/dbraw/zinc/52/86/65/815528665.db2.gz URTJFFFRFXZFBQ-SRVKXCTJSA-N 1 3 280.372 -0.711 20 0 CBADHO CN1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001118183320 812487361 /nfs/dbraw/zinc/48/73/61/812487361.db2.gz PCYAQZJEYVFARK-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO O[C@H]1CCC[C@@H]1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223230 812498941 /nfs/dbraw/zinc/49/89/41/812498941.db2.gz OWNOLKPPBBMXMB-GJZGRUSLSA-N 1 3 282.432 -0.577 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC001118573963 812581955 /nfs/dbraw/zinc/58/19/55/812581955.db2.gz MPDUNTKRFJOTLS-QMMMGPOBSA-N 1 3 251.290 -0.991 20 0 CBADHO COCC[C@H]([NH3+])Cc1cn(C[C@@H]2CNCCO2)nn1 ZINC001118917886 812662116 /nfs/dbraw/zinc/66/21/16/812662116.db2.gz PLVMKEMQYIYNDH-JQWIXIFHSA-N 1 3 269.349 -0.827 20 0 CBADHO O=C1CC2(CCOCC2)N(C[C@H]2CC[NH2+]C2)CCN1 ZINC001118994295 812686513 /nfs/dbraw/zinc/68/65/13/812686513.db2.gz SRUDPHOOHGCVCW-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO Cc1nonc1CNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC001119003428 812689365 /nfs/dbraw/zinc/68/93/65/812689365.db2.gz LZQZLOIJJHLLAG-LLVKDONJSA-N 1 3 269.349 -0.924 20 0 CBADHO Cc1nonc1CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC001119003428 812689369 /nfs/dbraw/zinc/68/93/69/812689369.db2.gz LZQZLOIJJHLLAG-LLVKDONJSA-N 1 3 269.349 -0.924 20 0 CBADHO Cc1nonc1CNC[C@H](O)CN1CC[NH+](C)CC1 ZINC001119003429 812689450 /nfs/dbraw/zinc/68/94/50/812689450.db2.gz LZQZLOIJJHLLAG-NSHDSACASA-N 1 3 269.349 -0.924 20 0 CBADHO Cc1nonc1CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC001119003429 812689458 /nfs/dbraw/zinc/68/94/58/812689458.db2.gz LZQZLOIJJHLLAG-NSHDSACASA-N 1 3 269.349 -0.924 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001119237068 812728271 /nfs/dbraw/zinc/72/82/71/812728271.db2.gz NXOWXXCUFODAJJ-CYBMUJFWSA-N 1 3 265.361 -0.002 20 0 CBADHO CNC(=O)CN1CCCC12CCN(C(=O)CC[NH2+]C)CC2 ZINC001158891194 815550208 /nfs/dbraw/zinc/55/02/08/815550208.db2.gz WBRHBBSFIXLZSV-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO Nc1ccnc(CNC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC001119382974 812772322 /nfs/dbraw/zinc/77/23/22/812772322.db2.gz FQEWEIYVJLUUAY-NSHDSACASA-N 1 3 250.302 -0.342 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C[C@@H]21 ZINC001119610877 812833721 /nfs/dbraw/zinc/83/37/21/812833721.db2.gz IRADOPQNKBREHJ-WOPDTQHZSA-N 1 3 294.399 -0.655 20 0 CBADHO CC(C)(C)N(C(=O)[C@@H](N)CN)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160272 815560945 /nfs/dbraw/zinc/56/09/45/815560945.db2.gz HCVVKIMAXCTIFW-RYUDHWBXSA-N 1 3 298.431 -0.189 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(c2ccnn2CC[NH+](C)C)C1=O ZINC001120091976 812933517 /nfs/dbraw/zinc/93/35/17/812933517.db2.gz UXZCLKSAGLJNEY-JTQLQIEISA-N 1 3 294.359 -0.569 20 0 CBADHO O[C@@H](C[NH2+]CCNc1cnccn1)CN1CCCC1 ZINC001120573008 812994847 /nfs/dbraw/zinc/99/48/47/812994847.db2.gz KPIFMBXRUPTORI-LBPRGKRZSA-N 1 3 265.361 -0.065 20 0 CBADHO O[C@H](CN[C@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602739 812998526 /nfs/dbraw/zinc/99/85/26/812998526.db2.gz GUOWVTLIYNTHKD-WCQYABFASA-N 1 3 250.346 -0.146 20 0 CBADHO O[C@H](C[NH2+][C@H]1Cc2cncn2C1)CN1CCCC1 ZINC001120602739 812998531 /nfs/dbraw/zinc/99/85/31/812998531.db2.gz GUOWVTLIYNTHKD-WCQYABFASA-N 1 3 250.346 -0.146 20 0 CBADHO O[C@H](CN[C@@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602738 812998902 /nfs/dbraw/zinc/99/89/02/812998902.db2.gz GUOWVTLIYNTHKD-DGCLKSJQSA-N 1 3 250.346 -0.146 20 0 CBADHO O[C@H](C[NH2+][C@@H]1Cc2cncn2C1)CN1CCCC1 ZINC001120602738 812998907 /nfs/dbraw/zinc/99/89/07/812998907.db2.gz GUOWVTLIYNTHKD-DGCLKSJQSA-N 1 3 250.346 -0.146 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@@H]1CNCCO1 ZINC001120632945 813003324 /nfs/dbraw/zinc/00/33/24/813003324.db2.gz HHGUJKKIHDXQKO-GMXVVIOVSA-N 1 3 268.361 -0.502 20 0 CBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@H]1CNCCO1 ZINC001120632946 813003631 /nfs/dbraw/zinc/00/36/31/813003631.db2.gz HHGUJKKIHDXQKO-NQBHXWOUSA-N 1 3 268.361 -0.502 20 0 CBADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)N(C)C ZINC001121301913 813061597 /nfs/dbraw/zinc/06/15/97/813061597.db2.gz GSVFBSLFHWUFHD-VDZFAJSBSA-N 1 3 296.415 -0.171 20 0 CBADHO [NH3+]CCNCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001121900142 813085682 /nfs/dbraw/zinc/08/56/82/813085682.db2.gz CJYSKMGAFHJCPH-CQSZACIVSA-N 1 3 276.384 -0.075 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001122024801 813106663 /nfs/dbraw/zinc/10/66/63/813106663.db2.gz ZVELGESDJFDFSA-WDEREUQCSA-N 1 3 271.361 -0.085 20 0 CBADHO O=C(COC1CC[NH2+]CC1)N[C@H]1COC2(CNC2)C1 ZINC001122063015 813110869 /nfs/dbraw/zinc/11/08/69/813110869.db2.gz HIXXGSTZIXXQSP-SNVBAGLBSA-N 1 3 269.345 -0.998 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CNCCN2C)C[C@@H]1C[NH3+] ZINC001122075145 813113444 /nfs/dbraw/zinc/11/34/44/813113444.db2.gz GVBSCCLQWCKJBP-VOAKCMCISA-N 1 3 268.405 -0.278 20 0 CBADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122076759 813114516 /nfs/dbraw/zinc/11/45/16/813114516.db2.gz FJGRHVYYDVJSGD-UTUOFQBUSA-N 1 3 255.362 -0.444 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001122171156 813127314 /nfs/dbraw/zinc/12/73/14/813127314.db2.gz CXNVLFAELANBAS-KXUCPTDWSA-N 1 3 257.334 -0.476 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](N)C1CCCCC1 ZINC001122183906 813128815 /nfs/dbraw/zinc/12/88/15/813128815.db2.gz YUXLKCWIIQBWFN-RYUDHWBXSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122182193 813129056 /nfs/dbraw/zinc/12/90/56/813129056.db2.gz UWXAAGDMLMHNTH-WUHRBBMRSA-N 1 3 296.415 -0.219 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](N)C1CCCCC1 ZINC001122183905 813129131 /nfs/dbraw/zinc/12/91/31/813129131.db2.gz YUXLKCWIIQBWFN-NWDGAFQWSA-N 1 3 257.378 -0.067 20 0 CBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1[nH]nc2c1CNCC2 ZINC001122305717 813142981 /nfs/dbraw/zinc/14/29/81/813142981.db2.gz ZIRTWDDJJCVJQH-PPKCKEKNSA-N 1 3 261.329 -0.322 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854849 815600363 /nfs/dbraw/zinc/60/03/63/815600363.db2.gz UQJPIYVMZCFINP-GFCCVEGCSA-N 1 3 287.404 -0.426 20 0 CBADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124873584 813495319 /nfs/dbraw/zinc/49/53/19/813495319.db2.gz ZFHOTOCFYBLFLW-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001127067499 813710168 /nfs/dbraw/zinc/71/01/68/813710168.db2.gz YKYAQOPOSRYFFF-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001127067499 813710171 /nfs/dbraw/zinc/71/01/71/813710171.db2.gz YKYAQOPOSRYFFF-MNOVXSKESA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)(C(=O)NCC[NH2+]CCO)N1CCCCC1 ZINC001127326734 813724100 /nfs/dbraw/zinc/72/41/00/813724100.db2.gz ANUPPNJXVYSNKB-UHFFFAOYSA-N 1 3 257.378 -0.051 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127685320 813741266 /nfs/dbraw/zinc/74/12/66/813741266.db2.gz NBNPCWXSBINSAW-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127685320 813741271 /nfs/dbraw/zinc/74/12/71/813741271.db2.gz NBNPCWXSBINSAW-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695249 813741852 /nfs/dbraw/zinc/74/18/52/813741852.db2.gz GRMOMMSIVYCTTF-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695249 813741853 /nfs/dbraw/zinc/74/18/53/813741853.db2.gz GRMOMMSIVYCTTF-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001127701070 813742070 /nfs/dbraw/zinc/74/20/70/813742070.db2.gz GUCBDIBCAUCTOL-SDDRHHMPSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001127701070 813742072 /nfs/dbraw/zinc/74/20/72/813742072.db2.gz GUCBDIBCAUCTOL-SDDRHHMPSA-N 1 3 284.404 -0.443 20 0 CBADHO O=C(NCCNCCF)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779563 813748963 /nfs/dbraw/zinc/74/89/63/813748963.db2.gz OEWKQWQIMHKBSL-GHMZBOCLSA-N 1 3 259.325 -0.475 20 0 CBADHO O=C(NCCNCCF)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779563 813748969 /nfs/dbraw/zinc/74/89/69/813748969.db2.gz OEWKQWQIMHKBSL-GHMZBOCLSA-N 1 3 259.325 -0.475 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001128533226 813780245 /nfs/dbraw/zinc/78/02/45/813780245.db2.gz JKNDKSOWYFGSHS-ZJUUUORDSA-N 1 3 276.356 -0.754 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001128778152 813797826 /nfs/dbraw/zinc/79/78/26/813797826.db2.gz BNTXZWOQPDOWOI-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001128778152 813797835 /nfs/dbraw/zinc/79/78/35/813797835.db2.gz BNTXZWOQPDOWOI-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO CCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220260 813825661 /nfs/dbraw/zinc/82/56/61/813825661.db2.gz UCXOSPKMZQVHCC-OLZOCXBDSA-N 1 3 294.403 -0.019 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001129328317 813836203 /nfs/dbraw/zinc/83/62/03/813836203.db2.gz OGFWQCMTOWRBJH-ZDUSSCGKSA-N 1 3 298.431 -0.242 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001129328317 813836213 /nfs/dbraw/zinc/83/62/13/813836213.db2.gz OGFWQCMTOWRBJH-ZDUSSCGKSA-N 1 3 298.431 -0.242 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+]CCOCCO)CCC1 ZINC001129357995 813840014 /nfs/dbraw/zinc/84/00/14/813840014.db2.gz PBGCWCUXSPAHNS-UHFFFAOYSA-N 1 3 273.377 -0.815 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001129363569 813840228 /nfs/dbraw/zinc/84/02/28/813840228.db2.gz JUNBPQQOKAPGAF-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO CN(C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129436725 813841639 /nfs/dbraw/zinc/84/16/39/813841639.db2.gz RUVADRSHBVHSJQ-CQSZACIVSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001129418991 813841944 /nfs/dbraw/zinc/84/19/44/813841944.db2.gz ZTGUHRZPLAITPK-STQMWFEESA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001129418991 813841956 /nfs/dbraw/zinc/84/19/56/813841956.db2.gz ZTGUHRZPLAITPK-STQMWFEESA-N 1 3 296.415 -0.156 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435168 813842244 /nfs/dbraw/zinc/84/22/44/813842244.db2.gz CNZVSPWMXUBRPO-GFCCVEGCSA-N 1 3 270.377 -0.879 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001129422730 813843686 /nfs/dbraw/zinc/84/36/86/813843686.db2.gz LHNSRPVMRUNBDN-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001129422730 813843696 /nfs/dbraw/zinc/84/36/96/813843696.db2.gz LHNSRPVMRUNBDN-RYUDHWBXSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842006 813869533 /nfs/dbraw/zinc/86/95/33/813869533.db2.gz RQMVWRRMWNOHMJ-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129842006 813869542 /nfs/dbraw/zinc/86/95/42/813869542.db2.gz RQMVWRRMWNOHMJ-WDEREUQCSA-N 1 3 270.377 -0.560 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC1CC1 ZINC001129856555 813872080 /nfs/dbraw/zinc/87/20/80/813872080.db2.gz UDNSGHLLWUJKFV-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC1CC1 ZINC001129856555 813872090 /nfs/dbraw/zinc/87/20/90/813872090.db2.gz UDNSGHLLWUJKFV-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001129949244 813882580 /nfs/dbraw/zinc/88/25/80/813882580.db2.gz AFZSTXKBPMPBCH-ZDUSSCGKSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001129947011 813882605 /nfs/dbraw/zinc/88/26/05/813882605.db2.gz FILVLQCFAYHOTA-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001129949410 813883273 /nfs/dbraw/zinc/88/32/73/813883273.db2.gz CLYIXEPZBVZASD-RYUDHWBXSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173735 813914680 /nfs/dbraw/zinc/91/46/80/813914680.db2.gz MOXUGETYKAQGFI-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130201002 813916895 /nfs/dbraw/zinc/91/68/95/813916895.db2.gz RZGNNIYTANCPPZ-NWDGAFQWSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC ZINC001130419064 813938644 /nfs/dbraw/zinc/93/86/44/813938644.db2.gz JYONGZVTSAWNDK-UHFFFAOYSA-N 1 3 258.366 -0.832 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC ZINC001130419064 813938646 /nfs/dbraw/zinc/93/86/46/813938646.db2.gz JYONGZVTSAWNDK-UHFFFAOYSA-N 1 3 258.366 -0.832 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001130425284 813938057 /nfs/dbraw/zinc/93/80/57/813938057.db2.gz RMEOEIZQHPLION-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001130425284 813938067 /nfs/dbraw/zinc/93/80/67/813938067.db2.gz RMEOEIZQHPLION-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520286 814037492 /nfs/dbraw/zinc/03/74/92/814037492.db2.gz WWUOTHCOCZMKTM-MBHSVXNSSA-N 1 3 283.372 -0.798 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789958 814069529 /nfs/dbraw/zinc/06/95/29/814069529.db2.gz BVMOHTXBFUIPRD-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)(C(=O)NCCN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001132283953 814120704 /nfs/dbraw/zinc/12/07/04/814120704.db2.gz PSCKPUIHSWBNSJ-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001132736916 814182161 /nfs/dbraw/zinc/18/21/61/814182161.db2.gz GDRQNYHGZWCRMD-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001132736916 814182167 /nfs/dbraw/zinc/18/21/67/814182167.db2.gz GDRQNYHGZWCRMD-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001132736914 814182526 /nfs/dbraw/zinc/18/25/26/814182526.db2.gz GDRQNYHGZWCRMD-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001132736914 814182531 /nfs/dbraw/zinc/18/25/31/814182531.db2.gz GDRQNYHGZWCRMD-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001132738045 814183310 /nfs/dbraw/zinc/18/33/10/814183310.db2.gz UMLGPNXDTOLGTF-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001132738045 814183315 /nfs/dbraw/zinc/18/33/15/814183315.db2.gz UMLGPNXDTOLGTF-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001132893696 814200020 /nfs/dbraw/zinc/20/00/20/814200020.db2.gz XZLBPWMDEUYWIP-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001132893696 814200023 /nfs/dbraw/zinc/20/00/23/814200023.db2.gz XZLBPWMDEUYWIP-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993248 814207621 /nfs/dbraw/zinc/20/76/21/814207621.db2.gz PRPOITLJXJRNKR-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133040571 814211467 /nfs/dbraw/zinc/21/14/67/814211467.db2.gz XGFBXGQYUITTKD-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO Cn1cncc1CNCCNC(=O)CCC[NH+](C)C ZINC001133040470 814211711 /nfs/dbraw/zinc/21/17/11/814211711.db2.gz SHTXEBKSNIVBLF-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040414 814211800 /nfs/dbraw/zinc/21/18/00/814211800.db2.gz PYUOASLKPJCESQ-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001133051995 814212246 /nfs/dbraw/zinc/21/22/46/814212246.db2.gz XJANNNIHFRQFRC-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051991 814212544 /nfs/dbraw/zinc/21/25/44/814212544.db2.gz XFFKQURWKCBOGA-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CN1CCC[C@@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133288469 814236436 /nfs/dbraw/zinc/23/64/36/814236436.db2.gz XLPMSWMYSLCQHA-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690233 814287161 /nfs/dbraw/zinc/28/71/61/814287161.db2.gz JQNBDLZZZKGACH-NWDGAFQWSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690234 814287319 /nfs/dbraw/zinc/28/73/19/814287319.db2.gz JQNBDLZZZKGACH-RYUDHWBXSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@H](C(=O)NCCN[C@H](C)C(N)=O)[NH+](CC)CC ZINC001133684973 814287665 /nfs/dbraw/zinc/28/76/65/814287665.db2.gz OEJJOTWHNVQIER-GHMZBOCLSA-N 1 3 272.393 -0.314 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001133845510 814307524 /nfs/dbraw/zinc/30/75/24/814307524.db2.gz HPYNFSAJQJATOG-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001133845446 814307978 /nfs/dbraw/zinc/30/79/78/814307978.db2.gz GDIBUPAPZYTZBW-CYBMUJFWSA-N 1 3 279.388 -0.069 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001133845740 814308419 /nfs/dbraw/zinc/30/84/19/814308419.db2.gz MMYIZTWVTVPFGJ-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133845636 814308584 /nfs/dbraw/zinc/30/85/84/814308584.db2.gz KIECXTQFUHSBEA-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001133845638 814309195 /nfs/dbraw/zinc/30/91/95/814309195.db2.gz KIECXTQFUHSBEA-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845475 814309261 /nfs/dbraw/zinc/30/92/61/814309261.db2.gz GZCNVLGICRBHSQ-ZDUSSCGKSA-N 1 3 298.431 -0.194 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845475 814309268 /nfs/dbraw/zinc/30/92/68/814309268.db2.gz GZCNVLGICRBHSQ-ZDUSSCGKSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCc2cnn(C)c2)C1 ZINC001133853656 814311296 /nfs/dbraw/zinc/31/12/96/814311296.db2.gz NOLNSDLIKGACPC-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCc2cnn(C)c2)C1 ZINC001133853656 814311303 /nfs/dbraw/zinc/31/13/03/814311303.db2.gz NOLNSDLIKGACPC-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869278 814314403 /nfs/dbraw/zinc/31/44/03/814314403.db2.gz CIFXSGNEBGSRIS-OLZOCXBDSA-N 1 3 298.431 -0.243 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869278 814314415 /nfs/dbraw/zinc/31/44/15/814314415.db2.gz CIFXSGNEBGSRIS-OLZOCXBDSA-N 1 3 298.431 -0.243 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866712 814315659 /nfs/dbraw/zinc/31/56/59/814315659.db2.gz OBHOBONSQHPLIK-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133866712 814315667 /nfs/dbraw/zinc/31/56/67/814315667.db2.gz OBHOBONSQHPLIK-CHWSQXEVSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868152 814315911 /nfs/dbraw/zinc/31/59/11/814315911.db2.gz ZXRVVEYEVVUKCJ-NWDGAFQWSA-N 1 3 282.388 -0.878 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868152 814315920 /nfs/dbraw/zinc/31/59/20/814315920.db2.gz ZXRVVEYEVVUKCJ-NWDGAFQWSA-N 1 3 282.388 -0.878 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870427 814317085 /nfs/dbraw/zinc/31/70/85/814317085.db2.gz SZBSYMFYEQRGKZ-OLZOCXBDSA-N 1 3 298.431 -0.194 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870427 814317095 /nfs/dbraw/zinc/31/70/95/814317095.db2.gz SZBSYMFYEQRGKZ-OLZOCXBDSA-N 1 3 298.431 -0.194 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001133966054 814331221 /nfs/dbraw/zinc/33/12/21/814331221.db2.gz VRSKAIZJBUEOTD-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780437 814412496 /nfs/dbraw/zinc/41/24/96/814412496.db2.gz GYKFAZNRWADNER-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001134780763 814413135 /nfs/dbraw/zinc/41/31/35/814413135.db2.gz VRQGZDGWEIWPQI-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134775926 814413463 /nfs/dbraw/zinc/41/34/63/814413463.db2.gz CYCZLCKXSIFGFL-UHFFFAOYSA-N 1 3 270.377 -0.830 20 0 CBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159917461 815604933 /nfs/dbraw/zinc/60/49/33/815604933.db2.gz WWZCCMURPJGWEX-AWEZNQCLSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932556 815606654 /nfs/dbraw/zinc/60/66/54/815606654.db2.gz RUOXUZQDXZSWFV-ZYHUDNBSSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)NC)C(C)C ZINC001135474533 814477402 /nfs/dbraw/zinc/47/74/02/814477402.db2.gz SKYCRFZQMSQCSZ-CYBMUJFWSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C(C)C ZINC001135474137 814477657 /nfs/dbraw/zinc/47/76/57/814477657.db2.gz HVJOGMLTSZGLPA-VXGBXAGGSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C(C)C ZINC001135474135 814477907 /nfs/dbraw/zinc/47/79/07/814477907.db2.gz HVJOGMLTSZGLPA-NWDGAFQWSA-N 1 3 286.420 -0.068 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135510652 814478739 /nfs/dbraw/zinc/47/87/39/814478739.db2.gz DPGJMXLRFLYZDK-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN(CC)CC)C(N)=O ZINC001135513383 814481558 /nfs/dbraw/zinc/48/15/58/814481558.db2.gz NIRHQFANDOKOCD-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CC1CCN(CC(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001135688609 814512056 /nfs/dbraw/zinc/51/20/56/814512056.db2.gz YCNJJRLXCNYUCB-LBPRGKRZSA-N 1 3 282.388 -0.687 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135744213 814517886 /nfs/dbraw/zinc/51/78/86/814517886.db2.gz XVNQCIVLWDKIED-QWRGUYRKSA-N 1 3 272.393 -0.314 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403675 815617946 /nfs/dbraw/zinc/61/79/46/815617946.db2.gz DQNWTZXOCVEARY-IGQOVBAYSA-N 1 3 297.399 -0.295 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426678 815619034 /nfs/dbraw/zinc/61/90/34/815619034.db2.gz ISTMKOOGCHBDAQ-NEPJUHHUSA-N 1 3 286.420 -0.197 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135981088 814542564 /nfs/dbraw/zinc/54/25/64/814542564.db2.gz XLMJHPAGVGNUDC-QWRGUYRKSA-N 1 3 272.393 -0.314 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)C1CCCS1(=O)=O ZINC001143481225 814770493 /nfs/dbraw/zinc/77/04/93/814770493.db2.gz RUJJXJOPAXOQPS-SECBINFHSA-N 1 3 284.341 -0.653 20 0 CBADHO CN(CC(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1)C(N)=[NH2+] ZINC001144136931 814773388 /nfs/dbraw/zinc/77/33/88/814773388.db2.gz MRIQUGULJVDFGD-VHSXEESVSA-N 1 3 253.350 -0.636 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001146719964 814844737 /nfs/dbraw/zinc/84/47/37/814844737.db2.gz YLJUVSLYXPHROI-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001146719964 814844744 /nfs/dbraw/zinc/84/47/44/814844744.db2.gz YLJUVSLYXPHROI-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719692 814844938 /nfs/dbraw/zinc/84/49/38/814844938.db2.gz UXQAMPNFCWHZEL-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719692 814844941 /nfs/dbraw/zinc/84/49/41/814844941.db2.gz UXQAMPNFCWHZEL-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001146719294 814845211 /nfs/dbraw/zinc/84/52/11/814845211.db2.gz OTUCNEYMIOGIMT-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001146719294 814845215 /nfs/dbraw/zinc/84/52/15/814845215.db2.gz OTUCNEYMIOGIMT-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001146719711 814845458 /nfs/dbraw/zinc/84/54/58/814845458.db2.gz VZVDPEYLDHMNKX-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001146719711 814845464 /nfs/dbraw/zinc/84/54/64/814845464.db2.gz VZVDPEYLDHMNKX-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001146719712 814845643 /nfs/dbraw/zinc/84/56/43/814845643.db2.gz VZVDPEYLDHMNKX-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001146719712 814845646 /nfs/dbraw/zinc/84/56/46/814845646.db2.gz VZVDPEYLDHMNKX-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CCC(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001146774070 814846497 /nfs/dbraw/zinc/84/64/97/814846497.db2.gz ZRBXGOIDQIGKGF-UHFFFAOYSA-N 1 3 277.390 -0.535 20 0 CBADHO C[C@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001147301448 814888004 /nfs/dbraw/zinc/88/80/04/814888004.db2.gz YIVQGLOGNMAZDX-NSHDSACASA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826281 814917399 /nfs/dbraw/zinc/91/73/99/814917399.db2.gz UVFYJOCCELDYPD-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824397 814917554 /nfs/dbraw/zinc/91/75/54/814917554.db2.gz JGBFKYMNNCMZBS-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001147826240 814917717 /nfs/dbraw/zinc/91/77/17/814917717.db2.gz SXUYEFDNZLVHSS-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824398 814918279 /nfs/dbraw/zinc/91/82/79/814918279.db2.gz JGBFKYMNNCMZBS-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO Cn1cncc1CNCCNC(=O)COCC[NH+](C)C ZINC001147841236 814919960 /nfs/dbraw/zinc/91/99/60/814919960.db2.gz ALNXCPRKWCDFPN-UHFFFAOYSA-N 1 3 283.376 -0.796 20 0 CBADHO Cn1cc(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001147878440 814922148 /nfs/dbraw/zinc/92/21/48/814922148.db2.gz YVYCWCYFSMDHEO-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1cc(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001147878440 814922152 /nfs/dbraw/zinc/92/21/52/814922152.db2.gz YVYCWCYFSMDHEO-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO CC[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147893451 814923741 /nfs/dbraw/zinc/92/37/41/814923741.db2.gz QQEJTYQKSJKDFK-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147893451 814923745 /nfs/dbraw/zinc/92/37/45/814923745.db2.gz QQEJTYQKSJKDFK-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892094 814923906 /nfs/dbraw/zinc/92/39/06/814923906.db2.gz HZGNUPPDQHWEGP-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892094 814923912 /nfs/dbraw/zinc/92/39/12/814923912.db2.gz HZGNUPPDQHWEGP-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159917079 815604102 /nfs/dbraw/zinc/60/41/02/815604102.db2.gz UJNCELVOBVQKTE-CQSZACIVSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001159914188 815604537 /nfs/dbraw/zinc/60/45/37/815604537.db2.gz BEXBGRJFKWZFLG-AWEZNQCLSA-N 1 3 296.415 -0.345 20 0 CBADHO COCCN(C(=O)[C@@H](N)CSCC[NH3+])C(C)C ZINC001160463968 815624873 /nfs/dbraw/zinc/62/48/73/815624873.db2.gz SFXANINHIWREQK-JTQLQIEISA-N 1 3 263.407 -0.111 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC001160471475 815626197 /nfs/dbraw/zinc/62/61/97/815626197.db2.gz ZLNPWDTVCPEZBV-JTQLQIEISA-N 1 3 257.334 -0.582 20 0 CBADHO [NH3+]C[C@]1(Nc2ncnc3c2CCNC3)CN2CCC1CC2 ZINC001160511265 815631106 /nfs/dbraw/zinc/63/11/06/815631106.db2.gz NMVXTLWPKIOQOK-HNNXBMFYSA-N 1 3 288.399 -0.043 20 0 CBADHO [NH3+]C[C@]1(Nc2cc3c(nn2)CCNC3)CN2CCC1CC2 ZINC001160512476 815632607 /nfs/dbraw/zinc/63/26/07/815632607.db2.gz CBAXTUSYEDSBKN-HNNXBMFYSA-N 1 3 288.399 -0.043 20 0 CBADHO N[C@H](C(=O)N1CCC([NH3+])CC1)C1CCC(O)CC1 ZINC001160513934 815632715 /nfs/dbraw/zinc/63/27/15/815632715.db2.gz LNIOBFCVMFKYEZ-NHNAUAITSA-N 1 3 255.362 -0.186 20 0 CBADHO [NH3+]C[C@@]1(Nc2cc3c(nn2)CCNC3)CN2CCC1CC2 ZINC001160512477 815633168 /nfs/dbraw/zinc/63/31/68/815633168.db2.gz CBAXTUSYEDSBKN-OAHLLOKOSA-N 1 3 288.399 -0.043 20 0 CBADHO CN(CC1(C)COC1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160544060 815635296 /nfs/dbraw/zinc/63/52/96/815635296.db2.gz FHCNYJDFJNGRIE-SNVBAGLBSA-N 1 3 253.346 -0.710 20 0 CBADHO CN(CC1(C)COC1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160549714 815637540 /nfs/dbraw/zinc/63/75/40/815637540.db2.gz VTHXFQCGCWXSDM-NSHDSACASA-N 1 3 255.362 -0.192 20 0 CBADHO COC(=O)C[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596935 815644477 /nfs/dbraw/zinc/64/44/77/815644477.db2.gz XPORMZOCXRCCFF-WCQYABFASA-N 1 3 299.371 -0.896 20 0 CBADHO N[C@H](C(=O)N1CCC[C@@H](CCO)C1)C1CC[NH2+]CC1 ZINC001160612478 815645019 /nfs/dbraw/zinc/64/50/19/815645019.db2.gz ZRDOMRMCXSBLBM-AAEUAGOBSA-N 1 3 269.389 -0.066 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160636568 815647527 /nfs/dbraw/zinc/64/75/27/815647527.db2.gz INCBBXLCKGZITH-GHMZBOCLSA-N 1 3 266.349 -0.492 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160636570 815647637 /nfs/dbraw/zinc/64/76/37/815647637.db2.gz INCBBXLCKGZITH-MNOVXSKESA-N 1 3 266.349 -0.492 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647339 815651697 /nfs/dbraw/zinc/65/16/97/815651697.db2.gz HTPPSFXKVFWNMU-MNOVXSKESA-N 1 3 268.361 -0.724 20 0 CBADHO CN[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)[C@@H](C)OC(C)(C)C ZINC001160653110 815653183 /nfs/dbraw/zinc/65/31/83/815653183.db2.gz USDIILRJKYUYCT-KKOKHZNYSA-N 1 3 287.404 -0.302 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C1Cc2ccccc2C1 ZINC001160652929 815653504 /nfs/dbraw/zinc/65/35/04/815653504.db2.gz QXCYIXMWXBBMPD-KFWWJZLASA-N 1 3 289.379 -0.351 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1(C)COC1 ZINC001160663489 815653948 /nfs/dbraw/zinc/65/39/48/815653948.db2.gz OZPBZRVHCNWEKU-ZWNOBZJWSA-N 1 3 253.346 -0.567 20 0 CBADHO CC1(C)CN(C2CN(C(=O)[C@H](N)CCC[NH3+])C2)CCO1 ZINC001160663203 815654653 /nfs/dbraw/zinc/65/46/53/815654653.db2.gz JPRIQHDVISAEBT-GFCCVEGCSA-N 1 3 284.404 -0.626 20 0 CBADHO CC(C)[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160669920 815655227 /nfs/dbraw/zinc/65/52/27/815655227.db2.gz OJBHBFDRZSEFIO-NEPJUHHUSA-N 1 3 267.373 -0.321 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688732 815657109 /nfs/dbraw/zinc/65/71/09/815657109.db2.gz GBDHVFBNAYITOV-RYUDHWBXSA-N 1 3 289.383 -0.075 20 0 CBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1cncn1C ZINC001160695052 815658747 /nfs/dbraw/zinc/65/87/47/815658747.db2.gz HDZKTCZKHGZERQ-YPMHNXCESA-N 1 3 279.388 -0.252 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)CN1CCCC[C@H](N)C1=O ZINC001160695994 815659007 /nfs/dbraw/zinc/65/90/07/815659007.db2.gz SCHIJXWDOOOOAO-STQMWFEESA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705125 815661706 /nfs/dbraw/zinc/66/17/06/815661706.db2.gz RJJUIOOCZKACPW-FMSGJZPZSA-N 1 3 296.415 -0.504 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705125 815661710 /nfs/dbraw/zinc/66/17/10/815661710.db2.gz RJJUIOOCZKACPW-FMSGJZPZSA-N 1 3 296.415 -0.504 20 0 CBADHO COC(=O)[C@H](C)N(C)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160718683 815663050 /nfs/dbraw/zinc/66/30/50/815663050.db2.gz QNCYXBMRKWDWQX-WCBMZHEXSA-N 1 3 257.334 -0.667 20 0 CBADHO CCN(CC(C)(C)O)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160755660 815666728 /nfs/dbraw/zinc/66/67/28/815666728.db2.gz NKSSJUPZGDCTLZ-NSHDSACASA-N 1 3 257.378 -0.067 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2nccn2CC1 ZINC001160760516 815668280 /nfs/dbraw/zinc/66/82/80/815668280.db2.gz OCVUKDQGSBWIQI-NSHDSACASA-N 1 3 275.356 -0.923 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160761025 815668850 /nfs/dbraw/zinc/66/88/50/815668850.db2.gz UEZPSKBZSTTYAQ-SNVBAGLBSA-N 1 3 251.334 -0.666 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]21 ZINC001160880502 815684061 /nfs/dbraw/zinc/68/40/61/815684061.db2.gz ZQIVLBFLLPUQQG-YTWAJWBKSA-N 1 3 269.345 -0.680 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883239 815684371 /nfs/dbraw/zinc/68/43/71/815684371.db2.gz ILLWELKRHKPNGV-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001160890099 815685428 /nfs/dbraw/zinc/68/54/28/815685428.db2.gz UXQZNLCQZOXEGX-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001160890163 815685501 /nfs/dbraw/zinc/68/55/01/815685501.db2.gz XIIZBARFQYSZAW-GHMZBOCLSA-N 1 3 272.393 -0.314 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001160883845 815685846 /nfs/dbraw/zinc/68/58/46/815685846.db2.gz WKDPVPSMOBWFNZ-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001377 815694372 /nfs/dbraw/zinc/69/43/72/815694372.db2.gz YIYUEFQVKPDVRD-SRVKXCTJSA-N 1 3 285.363 -0.208 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001161031082 815700371 /nfs/dbraw/zinc/70/03/71/815700371.db2.gz RVPFONIACTYBIO-SECBINFHSA-N 1 3 258.391 -0.423 20 0 CBADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161050387 815704850 /nfs/dbraw/zinc/70/48/50/815704850.db2.gz MPPAZXNWTHQBDG-OLZOCXBDSA-N 1 3 296.415 -0.742 20 0 CBADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161050387 815704854 /nfs/dbraw/zinc/70/48/54/815704854.db2.gz MPPAZXNWTHQBDG-OLZOCXBDSA-N 1 3 296.415 -0.742 20 0 CBADHO CN(C(=O)[C@H]1CNCCN1C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061602 815705366 /nfs/dbraw/zinc/70/53/66/815705366.db2.gz HOROOOSGTGLOBO-IJLUTSLNSA-N 1 3 254.378 -0.382 20 0 CBADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161050498 815705675 /nfs/dbraw/zinc/70/56/75/815705675.db2.gz NRWPQQMWJMAABX-VXGBXAGGSA-N 1 3 299.419 -0.297 20 0 CBADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161050498 815705682 /nfs/dbraw/zinc/70/56/82/815705682.db2.gz NRWPQQMWJMAABX-VXGBXAGGSA-N 1 3 299.419 -0.297 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081016 815709374 /nfs/dbraw/zinc/70/93/74/815709374.db2.gz CEFSPSSNKWBEOE-NTASLKFISA-N 1 3 278.400 -0.239 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001161081883 815711745 /nfs/dbraw/zinc/71/17/45/815711745.db2.gz MHOPJWZWXQOMBP-QCNOEVLYSA-N 1 3 253.346 -0.738 20 0 CBADHO [NH3+]CCN(CCNc1ncc2c(n1)CCNC2)N(O)N=O ZINC001161086768 815712064 /nfs/dbraw/zinc/71/20/64/815712064.db2.gz AZJBNVAHAQAASL-UHFFFAOYSA-N 1 3 296.335 -0.918 20 0 CBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161093313 815714311 /nfs/dbraw/zinc/71/43/11/815714311.db2.gz LCBOKWZWGVTBHG-NEPJUHHUSA-N 1 3 299.371 -0.896 20 0 CBADHO CCN(CCC(=O)OC)C(=O)[C@@H](N)CCCC[NH3+] ZINC001161129479 815716934 /nfs/dbraw/zinc/71/69/34/815716934.db2.gz CHRDIMKXFIVBAY-JTQLQIEISA-N 1 3 259.350 -0.146 20 0 CBADHO CCN(CCC(=O)OC)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161129500 815717133 /nfs/dbraw/zinc/71/71/33/815717133.db2.gz COAFCGQIYZYCRM-JTQLQIEISA-N 1 3 269.345 -0.793 20 0 CBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161132332 815718838 /nfs/dbraw/zinc/71/88/38/815718838.db2.gz YELDNTSVEGYUER-STQMWFEESA-N 1 3 294.399 -0.735 20 0 CBADHO CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CN(C)C1 ZINC001161138310 815720068 /nfs/dbraw/zinc/72/00/68/815720068.db2.gz RLVBADOTEZZEDE-BXUZGUMPSA-N 1 3 266.389 -0.652 20 0 CBADHO CN(C(=O)[C@@H](N)C1CCC(O)CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219627 815728919 /nfs/dbraw/zinc/72/89/19/815728919.db2.gz RYLHOJKINBVRLL-UTIMWUQESA-N 1 3 267.373 -0.459 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC001161234613 815730111 /nfs/dbraw/zinc/73/01/11/815730111.db2.gz FCURTKNKJLBJGZ-UMNHJUIQSA-N 1 3 255.362 -0.051 20 0 CBADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161231653 815730311 /nfs/dbraw/zinc/73/03/11/815730311.db2.gz NGVNSPLZXCLLBR-QSFUFRPTSA-N 1 3 269.345 -0.654 20 0 CBADHO C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@H](C)N1 ZINC001161229306 815730918 /nfs/dbraw/zinc/73/09/18/815730918.db2.gz ISGTWJMIAYPCMS-UHFZAUJKSA-N 1 3 252.362 -0.855 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161238859 815732364 /nfs/dbraw/zinc/73/23/64/815732364.db2.gz DSAJQIXDLKNQJY-CMPLNLGQSA-N 1 3 269.324 -0.811 20 0 CBADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001161306267 815738287 /nfs/dbraw/zinc/73/82/87/815738287.db2.gz IYRDROWXTGYDQW-NSHDSACASA-N 1 3 263.345 -0.675 20 0 CBADHO CCN(C(=O)[C@@H]1CNCCN1C)[C@@H]1CCC[NH2+]C1 ZINC001161340251 815746069 /nfs/dbraw/zinc/74/60/69/815746069.db2.gz QEBNFDYWDHTDAD-NEPJUHHUSA-N 1 3 254.378 -0.510 20 0 CBADHO COc1ccnc(N(C(=O)[C@@H](N)CN)C2CC[NH2+]CC2)c1 ZINC001161385486 815748562 /nfs/dbraw/zinc/74/85/62/815748562.db2.gz BBQJHUSPNFGDRE-LBPRGKRZSA-N 1 3 293.371 -0.539 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412046 815751430 /nfs/dbraw/zinc/75/14/30/815751430.db2.gz FKLXWOSKLZKZHL-PDEGPIFNSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412046 815751437 /nfs/dbraw/zinc/75/14/37/815751437.db2.gz FKLXWOSKLZKZHL-PDEGPIFNSA-N 1 3 263.345 -0.525 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412011 815751888 /nfs/dbraw/zinc/75/18/88/815751888.db2.gz FCMVHQFADSIXLG-BQUFFADESA-N 1 3 277.372 -0.514 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412012 815752032 /nfs/dbraw/zinc/75/20/32/815752032.db2.gz FCMVHQFADSIXLG-RYDUCSDGSA-N 1 3 277.372 -0.514 20 0 CBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N)CC2 ZINC001161478203 815758262 /nfs/dbraw/zinc/75/82/62/815758262.db2.gz LJBSZEKKRMDKTH-LNLATYFQSA-N 1 3 255.318 -0.913 20 0 CBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@@H]21 ZINC001161484278 815759590 /nfs/dbraw/zinc/75/95/90/815759590.db2.gz VCVSPUQPMCOONC-UTUOFQBUSA-N 1 3 282.388 -0.478 20 0 CBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@H]21 ZINC001161484276 815759634 /nfs/dbraw/zinc/75/96/34/815759634.db2.gz VCVSPUQPMCOONC-GRYCIOLGSA-N 1 3 282.388 -0.478 20 0 CBADHO O=C(c1noc2c1CNCC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556914 815771403 /nfs/dbraw/zinc/77/14/03/815771403.db2.gz ZCQYCHGPLXAHGD-UHFFFAOYSA-N 1 3 262.313 -0.102 20 0 CBADHO COCCOC1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161572779 815773458 /nfs/dbraw/zinc/77/34/58/815773458.db2.gz YFKAUIJAXWNQNG-CYBMUJFWSA-N 1 3 297.399 -0.266 20 0 CBADHO COCCOC1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161572779 815773461 /nfs/dbraw/zinc/77/34/61/815773461.db2.gz YFKAUIJAXWNQNG-CYBMUJFWSA-N 1 3 297.399 -0.266 20 0 CBADHO COC(=O)c1ccc(C[NH3+])n1-c1cc(CN)ncn1 ZINC001161934837 815795767 /nfs/dbraw/zinc/79/57/67/815795767.db2.gz ZWURFYJZSLUFFY-UHFFFAOYSA-N 1 3 261.285 -0.029 20 0 CBADHO CN(C)Cc1ccc(N(CC[NH3+])S(C)(=O)=O)nc1 ZINC001162124001 815804028 /nfs/dbraw/zinc/80/40/28/815804028.db2.gz LCKJWZGBZJFYQJ-UHFFFAOYSA-N 1 3 272.374 -0.132 20 0 CBADHO C[C@@H]1CN(c2ccc(-n3cnc(CN)c3)nn2)CC[NH2+]1 ZINC001162296325 815812192 /nfs/dbraw/zinc/81/21/92/815812192.db2.gz FEZNFHAJGQWIJU-SNVBAGLBSA-N 1 3 273.344 -0.081 20 0 CBADHO CNCc1cc(N[C@H](C(=O)OC)C(C)(C)[NH3+])ncn1 ZINC001162941766 815849429 /nfs/dbraw/zinc/84/94/29/815849429.db2.gz ABKUAKJPJLUJRL-SNVBAGLBSA-N 1 3 267.333 -0.113 20 0 CBADHO CCN(CC)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001293334802 816515905 /nfs/dbraw/zinc/51/59/05/816515905.db2.gz YKTABUFOWVIQHM-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001293334802 816515908 /nfs/dbraw/zinc/51/59/08/816515908.db2.gz YKTABUFOWVIQHM-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001293334803 816516099 /nfs/dbraw/zinc/51/60/99/816516099.db2.gz YKTABUFOWVIQHM-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001293334803 816516103 /nfs/dbraw/zinc/51/61/03/816516103.db2.gz YKTABUFOWVIQHM-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[N@H+](CCCCNCc1cn(CC(N)=O)nn1)C1CC1 ZINC001308428000 816824936 /nfs/dbraw/zinc/82/49/36/816824936.db2.gz QXHKCHFCQZRTOA-UHFFFAOYSA-N 1 3 280.376 -0.273 20 0 CBADHO C[N@@H+](CCCCNCc1cn(CC(N)=O)nn1)C1CC1 ZINC001308428000 816824947 /nfs/dbraw/zinc/82/49/47/816824947.db2.gz QXHKCHFCQZRTOA-UHFFFAOYSA-N 1 3 280.376 -0.273 20 0 CBADHO CN(CCCNC(=O)CC[NH+](C)C)[C@@H]1CCCNC1=O ZINC001316846308 816891140 /nfs/dbraw/zinc/89/11/40/816891140.db2.gz YFTDRDARFARUJS-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1)N(C)C ZINC001317124387 816935684 /nfs/dbraw/zinc/93/56/84/816935684.db2.gz KPYCLZFOPBBNGN-TUAOUCFPSA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCO ZINC001317407954 816973844 /nfs/dbraw/zinc/97/38/44/816973844.db2.gz ZUTXBIZZPSODCL-NEPJUHHUSA-N 1 3 257.378 -0.195 20 0 CBADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(CCO)C1 ZINC001318424051 817108367 /nfs/dbraw/zinc/10/83/67/817108367.db2.gz IANXIHQWKNXAKA-LBPRGKRZSA-N 1 3 269.389 -0.147 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCO ZINC001319271801 817183440 /nfs/dbraw/zinc/18/34/40/817183440.db2.gz MPZJZODCEHPQCW-SECBINFHSA-N 1 3 254.334 -0.405 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCO)C(C)C ZINC001319958577 817259596 /nfs/dbraw/zinc/25/95/96/817259596.db2.gz UGPHAUPMHAYMLU-LBPRGKRZSA-N 1 3 268.361 -0.017 20 0 CBADHO C[C@H](CC[NH2+]CCO)NC(=O)C1(N(C)C)CCC1 ZINC001320445576 817339242 /nfs/dbraw/zinc/33/92/42/817339242.db2.gz ICJUDXWHBLAOEE-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001320550981 817354462 /nfs/dbraw/zinc/35/44/62/817354462.db2.gz YREVUFCEYBBIRA-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921535 817410966 /nfs/dbraw/zinc/41/09/66/817410966.db2.gz MYHXLYYLSHXWDG-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320921535 817410970 /nfs/dbraw/zinc/41/09/70/817410970.db2.gz MYHXLYYLSHXWDG-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001321418826 817496627 /nfs/dbraw/zinc/49/66/27/817496627.db2.gz JVEWGQKLGVUQOS-FBVTZJDUSA-N 1 3 296.415 -0.003 20 0 CBADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001321418826 817496633 /nfs/dbraw/zinc/49/66/33/817496633.db2.gz JVEWGQKLGVUQOS-FBVTZJDUSA-N 1 3 296.415 -0.003 20 0 CBADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163820213 819853726 /nfs/dbraw/zinc/85/37/26/819853726.db2.gz DTIQKBICNQEWBI-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO [NH3+]CCN(CCO)c1cncc(OCCN2CCCC2)n1 ZINC001163830133 819856647 /nfs/dbraw/zinc/85/66/47/819856647.db2.gz SWRNUBHDXSNVMX-UHFFFAOYSA-N 1 3 295.387 -0.291 20 0 CBADHO CN(C)Cc1ccc(N(C)S(=O)(=O)CC[NH3+])nc1 ZINC001164292490 819902360 /nfs/dbraw/zinc/90/23/60/819902360.db2.gz NXSCNTJUOOYJBK-UHFFFAOYSA-N 1 3 272.374 -0.132 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253519 819944811 /nfs/dbraw/zinc/94/48/11/819944811.db2.gz HXJDEHKJBPMJAN-UHFFFAOYSA-N 1 3 294.403 -0.247 20 0 CBADHO Cn1ccc(CNCCCNC(=O)CC[NH+](C)C)n1 ZINC001165794307 819983306 /nfs/dbraw/zinc/98/33/06/819983306.db2.gz RBEGGIBFNKZEBW-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)N(C)C ZINC001166004050 819988139 /nfs/dbraw/zinc/98/81/39/819988139.db2.gz DAPLBAGXVXEOCL-CQSZACIVSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001166626463 820008440 /nfs/dbraw/zinc/00/84/40/820008440.db2.gz GTVUJBJUUCRWRR-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627634 820008610 /nfs/dbraw/zinc/00/86/10/820008610.db2.gz XXQVGEVQOIZEBW-OLZOCXBDSA-N 1 3 287.404 -0.426 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001166626162 820008873 /nfs/dbraw/zinc/00/88/73/820008873.db2.gz BVDLXVPFDQPSND-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCOCCO ZINC001166627059 820009441 /nfs/dbraw/zinc/00/94/41/820009441.db2.gz OWRKYVVBXZKQCA-ZDUSSCGKSA-N 1 3 287.404 -0.425 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001166633615 820010523 /nfs/dbraw/zinc/01/05/23/820010523.db2.gz IRIROAUXKJOVBP-LBPRGKRZSA-N 1 3 294.403 -0.105 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001166626640 820011054 /nfs/dbraw/zinc/01/10/54/820011054.db2.gz IIHLMDGGQTZEEQ-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001166668247 820012558 /nfs/dbraw/zinc/01/25/58/820012558.db2.gz WUYYAYAWYMBJOT-NEPJUHHUSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001166676645 820013453 /nfs/dbraw/zinc/01/34/53/820013453.db2.gz AJUDTIDPJQPVPF-GHMZBOCLSA-N 1 3 270.377 -0.702 20 0 CBADHO CC[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001166678514 820016933 /nfs/dbraw/zinc/01/69/33/820016933.db2.gz WAJOAFPCXOWWHH-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765122 820034460 /nfs/dbraw/zinc/03/44/60/820034460.db2.gz SJYMNLWVRLNUJN-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765123 820034582 /nfs/dbraw/zinc/03/45/82/820034582.db2.gz SJYMNLWVRLNUJN-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CC(=O)NCCC[NH2+]CC(N)=O)CC(C)(C)C ZINC001166744300 820034674 /nfs/dbraw/zinc/03/46/74/820034674.db2.gz PHSQQUKHSZDIOQ-UHFFFAOYSA-N 1 3 272.393 -0.455 20 0 CBADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001166765294 820035082 /nfs/dbraw/zinc/03/50/82/820035082.db2.gz WPNGRAYZMLMJJR-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001166866803 820042006 /nfs/dbraw/zinc/04/20/06/820042006.db2.gz UXQZNLCQZOXEGX-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001166865895 820042709 /nfs/dbraw/zinc/04/27/09/820042709.db2.gz IVFLFZVRSBKMBR-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001166865892 820042832 /nfs/dbraw/zinc/04/28/32/820042832.db2.gz IVFLFZVRSBKMBR-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167480511 820093165 /nfs/dbraw/zinc/09/31/65/820093165.db2.gz IPPVXCVPJTUHHD-UHFFFAOYSA-N 1 3 284.404 -0.310 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001168764307 820180361 /nfs/dbraw/zinc/18/03/61/820180361.db2.gz YAUYMLOSBVLXTR-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO NCc1nnnn1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001168917100 820189145 /nfs/dbraw/zinc/18/91/45/820189145.db2.gz CJWLOKOGTLUQPI-UHFFFAOYSA-N 1 3 252.669 -0.832 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H](C[NH3+])C(=O)OC)CO1 ZINC001169334487 820239264 /nfs/dbraw/zinc/23/92/64/820239264.db2.gz LGDRWCFWNRMPJH-VWYCJHECSA-N 1 3 288.344 -0.565 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CCN(C(C)=O)C1 ZINC001169531538 820250917 /nfs/dbraw/zinc/25/09/17/820250917.db2.gz GTHKUEWFGRFOQA-RYUDHWBXSA-N 1 3 270.377 -0.560 20 0 CBADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncnc2c1C[NH2+]CC2 ZINC001170340326 820287910 /nfs/dbraw/zinc/28/79/10/820287910.db2.gz NRNHIFOYDWLCST-UHFFFAOYSA-N 1 3 274.328 -0.177 20 0 CBADHO CN(CC[NH3+])CCNc1ncc2c(n1)CNCC2 ZINC001170497403 820294181 /nfs/dbraw/zinc/29/41/81/820294181.db2.gz KKFNLNRXMYLEIQ-UHFFFAOYSA-N 1 3 250.350 -0.575 20 0 CBADHO C[C@@H](Nc1nccc(C2C[NH2+]C2)n1)[C@H]1CNCCO1 ZINC001170574904 820309056 /nfs/dbraw/zinc/30/90/56/820309056.db2.gz XRWGVUHQFWNIMW-BXKDBHETSA-N 1 3 263.345 -0.048 20 0 CBADHO CN1CCN(c2nccnc2N[C@@H](N)CCC[NH3+])CC1 ZINC001170898269 820332427 /nfs/dbraw/zinc/33/24/27/820332427.db2.gz ROGANJKOOYXOKV-LLVKDONJSA-N 1 3 279.392 -0.336 20 0 CBADHO CN1CCN(c2ncc(N[C@@H](N)CCC[NH3+])cn2)CC1 ZINC001170900908 820335625 /nfs/dbraw/zinc/33/56/25/820335625.db2.gz ZLLKEQATNVFWIQ-GFCCVEGCSA-N 1 3 279.392 -0.336 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1cccc(CN)n1 ZINC001170996673 820343569 /nfs/dbraw/zinc/34/35/69/820343569.db2.gz ZAUOMRBXQUIISL-UHFFFAOYSA-N 1 3 252.318 -0.132 20 0 CBADHO Cn1ccnc1CNCCCNC(=O)COCC[NH+](C)C ZINC001171199125 820349352 /nfs/dbraw/zinc/34/93/52/820349352.db2.gz WZICXXQLQOHXTH-UHFFFAOYSA-N 1 3 297.403 -0.406 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216364 820350853 /nfs/dbraw/zinc/35/08/53/820350853.db2.gz HFSCLEJTCJDAQW-GFCCVEGCSA-N 1 3 294.403 -0.247 20 0 CBADHO Cn1nncc1CNCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171216364 820350863 /nfs/dbraw/zinc/35/08/63/820350863.db2.gz HFSCLEJTCJDAQW-GFCCVEGCSA-N 1 3 294.403 -0.247 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001171763188 820369720 /nfs/dbraw/zinc/36/97/20/820369720.db2.gz UWCODDQAIUCNNE-LLVKDONJSA-N 1 3 272.393 -0.312 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001171756973 820370102 /nfs/dbraw/zinc/37/01/02/820370102.db2.gz CWHHNKKSIWGFAH-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO Cn1nncc1CNCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072593 820438476 /nfs/dbraw/zinc/43/84/76/820438476.db2.gz ZPOJEXRVTKRDGN-NSHDSACASA-N 1 3 280.376 -0.637 20 0 CBADHO Cn1nncc1CNCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072593 820438482 /nfs/dbraw/zinc/43/84/82/820438482.db2.gz ZPOJEXRVTKRDGN-NSHDSACASA-N 1 3 280.376 -0.637 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176980878 820484601 /nfs/dbraw/zinc/48/46/01/820484601.db2.gz UTTNAKIYQSDZEZ-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176971798 820484973 /nfs/dbraw/zinc/48/49/73/820484973.db2.gz IKWWIHWMIRYAFE-LLVKDONJSA-N 1 3 298.387 -0.772 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179486087 820629535 /nfs/dbraw/zinc/62/95/35/820629535.db2.gz HQPHMAUNEMILAH-AGIUHOORSA-N 1 3 298.431 -0.006 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617460 820636898 /nfs/dbraw/zinc/63/68/98/820636898.db2.gz GYVUMVWUOYCDAL-JQWIXIFHSA-N 1 3 266.345 -0.086 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001179744009 820639460 /nfs/dbraw/zinc/63/94/60/820639460.db2.gz CGIKPWRCPIHHGF-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001179861185 820643732 /nfs/dbraw/zinc/64/37/32/820643732.db2.gz OWMDCJCQDHNSJC-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001179861185 820643735 /nfs/dbraw/zinc/64/37/35/820643735.db2.gz OWMDCJCQDHNSJC-AVGNSLFASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001180132249 820652347 /nfs/dbraw/zinc/65/23/47/820652347.db2.gz ZSSRLOFBIHLWPJ-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181651729 820806824 /nfs/dbraw/zinc/80/68/24/820806824.db2.gz FXQJTZSTQLKTCT-OLZOCXBDSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001181672801 820810366 /nfs/dbraw/zinc/81/03/66/820810366.db2.gz CKVONDQZHNYHPD-VXGBXAGGSA-N 1 3 255.362 -0.347 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COC(=O)[C@@H]1C ZINC001182091968 820868622 /nfs/dbraw/zinc/86/86/22/820868622.db2.gz IZSAXUNTXWOBGG-ZJUUUORDSA-N 1 3 284.360 -0.141 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473054 820921615 /nfs/dbraw/zinc/92/16/15/820921615.db2.gz NRONAPNZQCLWPX-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473054 820921623 /nfs/dbraw/zinc/92/16/23/820921623.db2.gz NRONAPNZQCLWPX-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCO)C1)C1CC1 ZINC001183268753 820986336 /nfs/dbraw/zinc/98/63/36/820986336.db2.gz WOIJGLNRTCNAFB-CHWSQXEVSA-N 1 3 269.389 -0.101 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])C(=O)C1C=CN=C2N=CC=C21 ZINC001183580413 821007990 /nfs/dbraw/zinc/00/79/90/821007990.db2.gz CDHNIBDCFCTKSY-SECBINFHSA-N 1 3 282.325 -0.714 20 0 CBADHO CC[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185266064 821118605 /nfs/dbraw/zinc/11/86/05/821118605.db2.gz ZASGCOHVSSUYJI-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185348070 821125142 /nfs/dbraw/zinc/12/51/42/821125142.db2.gz NPFAHUFKRKMGBO-STQMWFEESA-N 1 3 298.431 -0.112 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001185385834 821127393 /nfs/dbraw/zinc/12/73/93/821127393.db2.gz VHKONOXYTRHDTH-GFCCVEGCSA-N 1 3 282.388 -0.639 20 0 CBADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416072 821128365 /nfs/dbraw/zinc/12/83/65/821128365.db2.gz MTXZKPHIIKCILR-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401610 821129443 /nfs/dbraw/zinc/12/94/43/821129443.db2.gz UUJFDNWYEBPNLN-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001185546818 821133992 /nfs/dbraw/zinc/13/39/92/821133992.db2.gz DNJHDUSQFYOHRA-QWHCGFSZSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001185716407 821140646 /nfs/dbraw/zinc/14/06/46/821140646.db2.gz WRCSFPHQAGPACT-XQQFMLRXSA-N 1 3 298.431 -0.006 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186457804 821182766 /nfs/dbraw/zinc/18/27/66/821182766.db2.gz BIMPRKZNGAZGFU-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186457802 821182794 /nfs/dbraw/zinc/18/27/94/821182794.db2.gz BIMPRKZNGAZGFU-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001186487587 821183430 /nfs/dbraw/zinc/18/34/30/821183430.db2.gz JMAHRSLAXBDSBU-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001186496806 821184937 /nfs/dbraw/zinc/18/49/37/821184937.db2.gz RIPZAYFEDNUBCQ-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001186496943 821185230 /nfs/dbraw/zinc/18/52/30/821185230.db2.gz UMXYPIWSMYHGHJ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001186825071 821198624 /nfs/dbraw/zinc/19/86/24/821198624.db2.gz XXZLJPJVGMRWFY-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001186825071 821198631 /nfs/dbraw/zinc/19/86/31/821198631.db2.gz XXZLJPJVGMRWFY-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001186824645 821199207 /nfs/dbraw/zinc/19/92/07/821199207.db2.gz CYICXGWKEBYQEQ-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001186824645 821199211 /nfs/dbraw/zinc/19/92/11/821199211.db2.gz CYICXGWKEBYQEQ-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106505 821211544 /nfs/dbraw/zinc/21/15/44/821211544.db2.gz IRVDIJAPPVEBTI-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106505 821211554 /nfs/dbraw/zinc/21/15/54/821211554.db2.gz IRVDIJAPPVEBTI-NWDGAFQWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187819005 822298647 /nfs/dbraw/zinc/29/86/47/822298647.db2.gz XJVPACHRRLLBHT-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187819005 822298656 /nfs/dbraw/zinc/29/86/56/822298656.db2.gz XJVPACHRRLLBHT-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCO ZINC001282460823 828448467 /nfs/dbraw/zinc/44/84/67/828448467.db2.gz HAOXKYKMJWPGBS-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCO ZINC001282460823 828448471 /nfs/dbraw/zinc/44/84/71/828448471.db2.gz HAOXKYKMJWPGBS-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1)N(C)C ZINC001283101203 828496602 /nfs/dbraw/zinc/49/66/02/828496602.db2.gz GMMLPCACOMGZHU-IJLUTSLNSA-N 1 3 257.378 -0.197 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001189391360 823754157 /nfs/dbraw/zinc/75/41/57/823754157.db2.gz XOTVGIIKIWTSFU-KGLIPLIRSA-N 1 3 299.415 -0.378 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001189391360 823754163 /nfs/dbraw/zinc/75/41/63/823754163.db2.gz XOTVGIIKIWTSFU-KGLIPLIRSA-N 1 3 299.415 -0.378 20 0 CBADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001189819839 823775522 /nfs/dbraw/zinc/77/55/22/823775522.db2.gz AMBDFCIFSBNNLJ-QWHCGFSZSA-N 1 3 285.388 -0.910 20 0 CBADHO Cc1[nH]c(=O)ncc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001194181058 824062982 /nfs/dbraw/zinc/06/29/82/824062982.db2.gz MLXBRIKZFHTSGG-UHFFFAOYSA-N 1 3 266.305 -0.435 20 0 CBADHO C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860204 824135415 /nfs/dbraw/zinc/13/54/15/824135415.db2.gz TZEXBGFUPKRZPY-YNEHKIRRSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cncc(=O)[nH]1 ZINC001196170912 824150634 /nfs/dbraw/zinc/15/06/34/824150634.db2.gz DBXFQUCBUJSGTJ-UHFFFAOYSA-N 1 3 280.332 -0.553 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c[nH]c(=O)c(C)n1 ZINC001196529005 824163172 /nfs/dbraw/zinc/16/31/72/824163172.db2.gz LFCSMWORKLSZEC-UHFFFAOYSA-N 1 3 294.359 -0.244 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043988 824176696 /nfs/dbraw/zinc/17/66/96/824176696.db2.gz LHJICUWPDFTQAE-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO C[C@H](O)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043990 824176866 /nfs/dbraw/zinc/17/68/66/824176866.db2.gz LHJICUWPDFTQAE-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO C[NH+](C)CCOCC(=O)N1CCCN(CCCO)CC1 ZINC001197833210 824204952 /nfs/dbraw/zinc/20/49/52/824204952.db2.gz UPOKSKLBTIRDPU-UHFFFAOYSA-N 1 3 287.404 -0.519 20 0 CBADHO C[C@@H](O)CN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832003 824205172 /nfs/dbraw/zinc/20/51/72/824205172.db2.gz GTTZPUZIUCMDRB-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001199787873 824287340 /nfs/dbraw/zinc/28/73/40/824287340.db2.gz GJGQPVQATCQSKD-CQSZACIVSA-N 1 3 299.415 -0.330 20 0 CBADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CCC1 ZINC001200688317 824324532 /nfs/dbraw/zinc/32/45/32/824324532.db2.gz NGRKYPQETQZPCY-ZDUSSCGKSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053092 824327002 /nfs/dbraw/zinc/32/70/02/824327002.db2.gz KQFLGJUNRCZGFJ-AWEZNQCLSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201404318 824331784 /nfs/dbraw/zinc/33/17/84/824331784.db2.gz UMIXQRVCDSAKLD-UONOGXRCSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483796 824333704 /nfs/dbraw/zinc/33/37/04/824333704.db2.gz OWQBKLAOJWPYBS-YPMHNXCESA-N 1 3 296.371 -0.460 20 0 CBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201931207 824339440 /nfs/dbraw/zinc/33/94/40/824339440.db2.gz JCKMGFGOBLOESP-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202166005 824341534 /nfs/dbraw/zinc/34/15/34/824341534.db2.gz UCFYUKARLONJIR-ZDUSSCGKSA-N 1 3 287.404 -0.474 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667846 824350697 /nfs/dbraw/zinc/35/06/97/824350697.db2.gz NZQHHRHQZANFOG-UHFFFAOYSA-N 1 3 279.344 -0.721 20 0 CBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709169 824362782 /nfs/dbraw/zinc/36/27/82/824362782.db2.gz MVEPNTYDYGCVKS-CQSZACIVSA-N 1 3 299.415 -0.330 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791236 824363005 /nfs/dbraw/zinc/36/30/05/824363005.db2.gz FOZVYBUUADLKTA-NWDGAFQWSA-N 1 3 296.415 -0.171 20 0 CBADHO CN(CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001205469507 824378981 /nfs/dbraw/zinc/37/89/81/824378981.db2.gz IYHAFJOPFFZREV-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO [NH3+]C[C@]1(O)CCCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205690689 824381217 /nfs/dbraw/zinc/38/12/17/824381217.db2.gz WUDIKFNUBFGTMG-GFCCVEGCSA-N 1 3 268.317 -0.437 20 0 CBADHO COC(CN1CCC(=O)N(CC[NH+](C)C)CC1)OC ZINC001207254689 824423959 /nfs/dbraw/zinc/42/39/59/824423959.db2.gz TWDGLBXGGUDPIM-UHFFFAOYSA-N 1 3 273.377 -0.299 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684214 824434119 /nfs/dbraw/zinc/43/41/19/824434119.db2.gz KNUUJWUGHJMKOU-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323317 824468947 /nfs/dbraw/zinc/46/89/47/824468947.db2.gz HNADOCDKIADFHF-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443786 824471188 /nfs/dbraw/zinc/47/11/88/824471188.db2.gz BHUVSKKZIHEZIL-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855569 824536780 /nfs/dbraw/zinc/53/67/80/824536780.db2.gz GUJSSKANZMRCEZ-MPKXVKKWSA-N 1 3 296.415 -0.491 20 0 CBADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215463477 824541997 /nfs/dbraw/zinc/54/19/97/824541997.db2.gz YRZFIHDBLJBKLC-JHJVBQTASA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001215456085 824542138 /nfs/dbraw/zinc/54/21/38/824542138.db2.gz MUIKTAJVXPLBKQ-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(N)=O ZINC001215415716 824542390 /nfs/dbraw/zinc/54/23/90/824542390.db2.gz JAVYYHOHKKAMKN-GHMZBOCLSA-N 1 3 282.388 -0.750 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCO ZINC001215680633 824542733 /nfs/dbraw/zinc/54/27/33/824542733.db2.gz FYJAFXMNMMDFSG-ZYHUDNBSSA-N 1 3 266.345 -0.229 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541005 824543889 /nfs/dbraw/zinc/54/38/89/824543889.db2.gz UTCSLWIDLLSSDD-YNEHKIRRSA-N 1 3 296.415 -0.489 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001216511566 824547857 /nfs/dbraw/zinc/54/78/57/824547857.db2.gz UOTVSTNUVWADMV-IJLUTSLNSA-N 1 3 284.404 -0.362 20 0 CBADHO Cn1cnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c2ncnc1-2 ZINC001218495967 824568190 /nfs/dbraw/zinc/56/81/90/824568190.db2.gz QXPYWUVQCVAIHF-QMMMGPOBSA-N 1 3 287.327 -0.938 20 0 CBADHO COc1nn(C)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218505195 824573883 /nfs/dbraw/zinc/57/38/83/824573883.db2.gz PEVDQQRHBFOLBG-JTQLQIEISA-N 1 3 267.333 -0.306 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2n[nH]cc2Br)C1 ZINC001218509711 824574621 /nfs/dbraw/zinc/57/46/21/824574621.db2.gz XKXRTCWNOPKVCH-XINAWCOVSA-N 1 3 274.122 -0.200 20 0 CBADHO CSc1nccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218511509 824576872 /nfs/dbraw/zinc/57/68/72/824576872.db2.gz JFKHFDQWZMDRIH-MRVPVSSYSA-N 1 3 279.369 -0.054 20 0 CBADHO O=C(Nc1[nH]nc2cccnc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218522689 824582266 /nfs/dbraw/zinc/58/22/66/824582266.db2.gz MRHRGFFXTRIJDS-QMMMGPOBSA-N 1 3 272.312 -0.295 20 0 CBADHO Cn1nc2c(c1NC(=O)[C@@H](N)CCC[NH3+])CCC2 ZINC001218529043 824585586 /nfs/dbraw/zinc/58/55/86/824585586.db2.gz YFMJLDUBPBDNFB-VIFPVBQESA-N 1 3 251.334 -0.087 20 0 CBADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3CNCCN3)sc2C1 ZINC001218535066 824585641 /nfs/dbraw/zinc/58/56/41/824585641.db2.gz WNJBQOPLUVUJBH-APPZFPTMSA-N 1 3 281.385 -0.541 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218557444 824590190 /nfs/dbraw/zinc/59/01/90/824590190.db2.gz SFMMXXDLLPWONF-SNVBAGLBSA-N 1 3 289.343 -0.371 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218557401 824590421 /nfs/dbraw/zinc/59/04/21/824590421.db2.gz QXYRRFXCYOUNCL-SECBINFHSA-N 1 3 287.327 -0.889 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218557274 824590585 /nfs/dbraw/zinc/59/05/85/824590585.db2.gz MWNVWCBWOUIJCR-VIFPVBQESA-N 1 3 277.332 -0.242 20 0 CBADHO CN(C)c1ccncc1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001218563143 824591392 /nfs/dbraw/zinc/59/13/92/824591392.db2.gz LSTQLTGTDCFUGB-GZMMTYOYSA-N 1 3 250.302 -0.334 20 0 CBADHO Cc1nonc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218561744 824592522 /nfs/dbraw/zinc/59/25/22/824592522.db2.gz LFTCFFLRTBBJTE-LDYMZIIASA-N 1 3 251.290 -0.484 20 0 CBADHO O=C(Nc1cc(OCC2CC2)n[nH]1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218578224 824596959 /nfs/dbraw/zinc/59/69/59/824596959.db2.gz FQYLRRMAXGGUHI-JTQLQIEISA-N 1 3 291.355 -0.054 20 0 CBADHO N[C@@H](C(=O)Nc1noc2nccnc12)C1CC[NH2+]CC1 ZINC001218574644 824597341 /nfs/dbraw/zinc/59/73/41/824597341.db2.gz OOXGWEORFRJWNX-MRVPVSSYSA-N 1 3 276.300 -0.117 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218621612 824606027 /nfs/dbraw/zinc/60/60/27/824606027.db2.gz KRNHXABCRCNXCI-LURJTMIESA-N 1 3 282.735 -0.953 20 0 CBADHO CN(C(=O)[C@@H](N)CCCC[NH3+])c1nccnc1N ZINC001218624168 824606989 /nfs/dbraw/zinc/60/69/89/824606989.db2.gz XCCUVXMDYGQKPH-QMMMGPOBSA-N 1 3 252.322 -0.522 20 0 CBADHO COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1C ZINC001218632121 824610205 /nfs/dbraw/zinc/61/02/05/824610205.db2.gz PBSFABJPEYHRKV-JTQLQIEISA-N 1 3 292.339 -0.441 20 0 CBADHO COc1nccc(N)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218634491 824610302 /nfs/dbraw/zinc/61/03/02/824610302.db2.gz UJFSIQWUEOHMSS-MRVPVSSYSA-N 1 3 277.328 -0.580 20 0 CBADHO COC(=O)c1onc(C)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218636503 824611642 /nfs/dbraw/zinc/61/16/42/824611642.db2.gz XSWLGQYNSGGXGB-MRVPVSSYSA-N 1 3 294.311 -0.483 20 0 CBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218641592 824612292 /nfs/dbraw/zinc/61/22/92/824612292.db2.gz GIUFSZMIMYMPPL-ZETCQYMHSA-N 1 3 296.762 -0.644 20 0 CBADHO Nc1cnc(Cl)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001218674182 824621363 /nfs/dbraw/zinc/62/13/63/824621363.db2.gz UMTYRZRRLDOEKO-MRVPVSSYSA-N 1 3 284.751 -0.022 20 0 CBADHO NC[C@H](N)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218694609 824622719 /nfs/dbraw/zinc/62/27/19/824622719.db2.gz AMGGQJJDXNSNMK-NSHDSACASA-N 1 3 278.360 -0.965 20 0 CBADHO COCn1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218700150 824623268 /nfs/dbraw/zinc/62/32/68/824623268.db2.gz DZYFYXLEZQUXDV-JTQLQIEISA-N 1 3 265.317 -0.766 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218713488 824627171 /nfs/dbraw/zinc/62/71/71/824627171.db2.gz RZSPCVPJTHBEMO-XKSSXDPKSA-N 1 3 266.301 -0.240 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218713483 824627639 /nfs/dbraw/zinc/62/76/39/824627639.db2.gz RZSPCVPJTHBEMO-NQMVMOMDSA-N 1 3 266.301 -0.240 20 0 CBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1C[NH2+]CCN1 ZINC001218710394 824627704 /nfs/dbraw/zinc/62/77/04/824627704.db2.gz FFMZELMASMYXOX-SCZZXKLOSA-N 1 3 265.317 -0.401 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2ccnn2-c2ccncc2)C1 ZINC001218741194 824630765 /nfs/dbraw/zinc/63/07/65/824630765.db2.gz KUSXDBRGIOXJRY-KOLCDFICSA-N 1 3 272.312 -0.105 20 0 CBADHO CN(C)c1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)[nH]n1 ZINC001218743611 824631512 /nfs/dbraw/zinc/63/15/12/824631512.db2.gz VGSRQGKEIQJPAL-NSHDSACASA-N 1 3 266.349 -0.259 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218741822 824632110 /nfs/dbraw/zinc/63/21/10/824632110.db2.gz RDVUZOCAKRTRCX-NSHDSACASA-N 1 3 275.356 -0.560 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218743713 824632347 /nfs/dbraw/zinc/63/23/47/824632347.db2.gz XHCUUAOUKGFSGY-JTQLQIEISA-N 1 3 298.778 -0.384 20 0 CBADHO N[C@@H](C(=O)Nc1cnc2nccn2c1)C1CC[NH2+]CC1 ZINC001218784946 824637065 /nfs/dbraw/zinc/63/70/65/824637065.db2.gz NOKFOIXBTICTSP-LLVKDONJSA-N 1 3 274.328 -0.005 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3[nH]c(CO)nc3c2)C1 ZINC001218955959 824649483 /nfs/dbraw/zinc/64/94/83/824649483.db2.gz LZWXZXWDYSZHQK-HQJQHLMTSA-N 1 3 275.312 -0.317 20 0 CBADHO [NH3+]CCNCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029560 824654272 /nfs/dbraw/zinc/65/42/72/824654272.db2.gz CRQJDYJJNQVXBD-UHFFFAOYSA-N 1 3 264.329 -0.345 20 0 CBADHO NC[C@H](N)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219291124 824686974 /nfs/dbraw/zinc/68/69/74/824686974.db2.gz SHPXQJUBNAXSMA-NSHDSACASA-N 1 3 295.362 -0.022 20 0 CBADHO NC[C@H](N)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219538153 824724604 /nfs/dbraw/zinc/72/46/04/824724604.db2.gz VOSKIMOARDGXCY-VHSKPIJISA-N 1 3 262.313 -0.641 20 0 CBADHO C[NH+](C)CCNC(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001219553802 824727719 /nfs/dbraw/zinc/72/77/19/824727719.db2.gz MLFODXAGLHKPQO-LBPRGKRZSA-N 1 3 251.330 -0.060 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001219555793 824728567 /nfs/dbraw/zinc/72/85/67/824728567.db2.gz SDHMWUSNHXYDDZ-BTDLBPIBSA-N 1 3 263.407 -0.460 20 0 CBADHO Cn1ccnc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219563857 824730677 /nfs/dbraw/zinc/73/06/77/824730677.db2.gz LDDPOJOTAJVDMC-LLVKDONJSA-N 1 3 277.372 -0.090 20 0 CBADHO Cn1ccnc1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219563857 824730688 /nfs/dbraw/zinc/73/06/88/824730688.db2.gz LDDPOJOTAJVDMC-LLVKDONJSA-N 1 3 277.372 -0.090 20 0 CBADHO O=C(NCCn1ccnc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219563664 824731677 /nfs/dbraw/zinc/73/16/77/824731677.db2.gz GPFRSNGBSPBYPV-DGCLKSJQSA-N 1 3 263.345 -0.802 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)C[NH2+]1 ZINC001219586881 824736287 /nfs/dbraw/zinc/73/62/87/824736287.db2.gz HVRSRZZSQNOXRC-DSEUGIAESA-N 1 3 261.391 -0.661 20 0 CBADHO Cc1cc(C)n(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001219595649 824739446 /nfs/dbraw/zinc/73/94/46/824739446.db2.gz JPOLBJRCOHRYBP-LBPRGKRZSA-N 1 3 277.372 -0.575 20 0 CBADHO Cc1cccn2c(CNC(=O)[C@H](N)CCC[NH3+])nnc12 ZINC001219597850 824741167 /nfs/dbraw/zinc/74/11/67/824741167.db2.gz WTCNGSIESIDJEK-SNVBAGLBSA-N 1 3 276.344 -0.280 20 0 CBADHO Cc1cc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)no1 ZINC001219604037 824849764 /nfs/dbraw/zinc/84/97/64/824849764.db2.gz IFVNUHJQQFLJFT-LLVKDONJSA-N 1 3 252.318 -0.074 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H](O)c1ccco1 ZINC001219604070 824851373 /nfs/dbraw/zinc/85/13/73/824851373.db2.gz ISVIJSLXTGDBNS-DTWKUNHWSA-N 1 3 273.358 -0.552 20 0 CBADHO Cc1nocc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219607817 824852881 /nfs/dbraw/zinc/85/28/81/824852881.db2.gz BWIKGIKTIMDCDX-SNVBAGLBSA-N 1 3 250.302 -0.592 20 0 CBADHO Cc1nocc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219608498 824852980 /nfs/dbraw/zinc/85/29/80/824852980.db2.gz XSNIBPNDQUJABJ-DGCLKSJQSA-N 1 3 264.329 -0.202 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636032 824867455 /nfs/dbraw/zinc/86/74/55/824867455.db2.gz UWCRKMRSHDMKKX-NRPADANISA-N 1 3 255.297 -0.904 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635367 824867780 /nfs/dbraw/zinc/86/77/80/824867780.db2.gz DASLRHBPEHOUFU-GMOBBJLQSA-N 1 3 288.367 -0.708 20 0 CBADHO Cn1cnc(CCNC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219633917 824868295 /nfs/dbraw/zinc/86/82/95/824868295.db2.gz IVYQMROGDARCII-NSHDSACASA-N 1 3 253.350 -0.465 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219645713 824871235 /nfs/dbraw/zinc/87/12/35/824871235.db2.gz MIENAHHZDRWJLC-XQQFMLRXSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219645510 824871324 /nfs/dbraw/zinc/87/13/24/824871324.db2.gz LHKXFUNYXYMVTF-AGIUHOORSA-N 1 3 298.431 -0.162 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CNCCN2C)C1 ZINC001219650095 824873287 /nfs/dbraw/zinc/87/32/87/824873287.db2.gz MCPRITZAGNTUQO-SRVKXCTJSA-N 1 3 254.378 -0.748 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219651890 824874441 /nfs/dbraw/zinc/87/44/41/824874441.db2.gz YSWRDHNVPSCYLV-YUTCNCBUSA-N 1 3 298.431 -0.018 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671653 824875884 /nfs/dbraw/zinc/87/58/84/824875884.db2.gz MYFKPWQFQSSOCI-QWRGUYRKSA-N 1 3 291.417 -0.651 20 0 CBADHO COC(=O)c1csc(CNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001219665915 824876056 /nfs/dbraw/zinc/87/60/56/824876056.db2.gz AQOIPVBAYJWRGE-ZETCQYMHSA-N 1 3 286.357 -0.388 20 0 CBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C[NH2+]1 ZINC001219683940 824877453 /nfs/dbraw/zinc/87/74/53/824877453.db2.gz HNSFZXIYQATMKA-DOPGDHIKSA-N 1 3 261.391 -0.804 20 0 CBADHO O=C(NCc1cc[nH]n1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219688954 824880257 /nfs/dbraw/zinc/88/02/57/824880257.db2.gz ASFWXGIMICAYQY-LLVKDONJSA-N 1 3 263.345 -0.100 20 0 CBADHO O=C(NCc1cc[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219688954 824880252 /nfs/dbraw/zinc/88/02/52/824880252.db2.gz ASFWXGIMICAYQY-LLVKDONJSA-N 1 3 263.345 -0.100 20 0 CBADHO CN1CCO[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001219694822 824881163 /nfs/dbraw/zinc/88/11/63/824881163.db2.gz MZVMRLNFNSROBN-OLZOCXBDSA-N 1 3 286.420 -0.508 20 0 CBADHO CN(C(=O)CCNC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001219693106 824881588 /nfs/dbraw/zinc/88/15/88/824881588.db2.gz NRBPXTBCFPXWSZ-ZDUSSCGKSA-N 1 3 282.388 -0.560 20 0 CBADHO NC(C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C(F)(F)F ZINC001219736973 824887848 /nfs/dbraw/zinc/88/78/48/824887848.db2.gz LTNLAROABOKIHI-RNFRBKRXSA-N 1 3 267.251 -0.629 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773466 824893943 /nfs/dbraw/zinc/89/39/43/824893943.db2.gz TZYJKRJVEGHZQQ-ZDUSSCGKSA-N 1 3 291.399 -0.062 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800938 824896153 /nfs/dbraw/zinc/89/61/53/824896153.db2.gz PDUXSADUYVEPDP-PWSUYJOCSA-N 1 3 293.371 -0.836 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850595 824903243 /nfs/dbraw/zinc/90/32/43/824903243.db2.gz YLTRJSQYJXFSMN-FTYKPCCVSA-N 1 3 293.371 -0.980 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850595 824903250 /nfs/dbraw/zinc/90/32/50/824903250.db2.gz YLTRJSQYJXFSMN-FTYKPCCVSA-N 1 3 293.371 -0.980 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219882788 824909831 /nfs/dbraw/zinc/90/98/31/824909831.db2.gz NCJCJUHAPMSTDE-JTQLQIEISA-N 1 3 296.371 -0.093 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219882788 824909837 /nfs/dbraw/zinc/90/98/37/824909837.db2.gz NCJCJUHAPMSTDE-JTQLQIEISA-N 1 3 296.371 -0.093 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH+](C)C ZINC001219916411 824913011 /nfs/dbraw/zinc/91/30/11/824913011.db2.gz VDYMZVYUZYHCQJ-WOPDTQHZSA-N 1 3 286.420 -0.069 20 0 CBADHO C[NH+](C)CCCCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219918263 824915576 /nfs/dbraw/zinc/91/55/76/824915576.db2.gz IYYZRSUPXWHBOI-LBPRGKRZSA-N 1 3 284.404 -0.835 20 0 CBADHO Cc1nccn1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219934697 824916357 /nfs/dbraw/zinc/91/63/57/824916357.db2.gz IJATXHPTHPAOKI-NSHDSACASA-N 1 3 263.345 -0.883 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC001219941022 824918938 /nfs/dbraw/zinc/91/89/38/824918938.db2.gz LJRDLJPXHLDCRA-ZDUSSCGKSA-N 1 3 298.431 -0.186 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219952124 824921216 /nfs/dbraw/zinc/92/12/16/824921216.db2.gz PBFWBBGDKSPFPD-JTQLQIEISA-N 1 3 253.350 -0.167 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001219952115 824921308 /nfs/dbraw/zinc/92/13/08/824921308.db2.gz ONCSJNNYPOEQSI-LBPRGKRZSA-N 1 3 265.361 -0.296 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001219962968 824924103 /nfs/dbraw/zinc/92/41/03/824924103.db2.gz MZJDXPWBNGZXPT-NSHDSACASA-N 1 3 296.396 -0.579 20 0 CBADHO NC(=O)c1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001219961826 824924874 /nfs/dbraw/zinc/92/48/74/824924874.db2.gz XZRABGNYGCNITA-LBPRGKRZSA-N 1 3 278.356 -0.142 20 0 CBADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCCc1c[n-][nH]c1=O ZINC001219970342 824925726 /nfs/dbraw/zinc/92/57/26/824925726.db2.gz YNWKZAPQRDQDHZ-QWRGUYRKSA-N 1 3 283.376 -0.539 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CCCCO1 ZINC001219978390 824927387 /nfs/dbraw/zinc/92/73/87/824927387.db2.gz LXNQYPQCIMPOAX-ZJUUUORDSA-N 1 3 261.391 -0.309 20 0 CBADHO O=C(NCCCc1ccncc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219980685 824930091 /nfs/dbraw/zinc/93/00/91/824930091.db2.gz MTQJLYIEXJATPU-ZDUSSCGKSA-N 1 3 274.368 -0.061 20 0 CBADHO CC(C)[C@](C)(NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220023435 824938081 /nfs/dbraw/zinc/93/80/81/824938081.db2.gz YVCIFDMWFADZDT-GWCFXTLKSA-N 1 3 270.377 -0.671 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031565 824939692 /nfs/dbraw/zinc/93/96/92/824939692.db2.gz XMDJZRKCZFLURP-WDEREUQCSA-N 1 3 298.387 -0.597 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccncc1F ZINC001220038314 824941042 /nfs/dbraw/zinc/94/10/42/824941042.db2.gz VWMCOBJHZASVAC-JTQLQIEISA-N 1 3 272.349 -0.144 20 0 CBADHO COC(=O)CCCCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220048230 824944042 /nfs/dbraw/zinc/94/40/42/824944042.db2.gz JQYZUFAIKHRKEN-JTQLQIEISA-N 1 3 291.417 -0.145 20 0 CBADHO COC(=O)CCCCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220047932 824944143 /nfs/dbraw/zinc/94/41/43/824944143.db2.gz DTQCMOZHECSLEH-LLVKDONJSA-N 1 3 283.372 -0.355 20 0 CBADHO COC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCCC1 ZINC001220048775 824944309 /nfs/dbraw/zinc/94/43/09/824944309.db2.gz WCPHCXYLCRKFEF-SNVBAGLBSA-N 1 3 281.356 -0.603 20 0 CBADHO CCOC(=O)C(C)(C)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220063765 824948326 /nfs/dbraw/zinc/94/83/26/824948326.db2.gz BPVRINSLADNRRD-JTQLQIEISA-N 1 3 271.361 -0.229 20 0 CBADHO CCOC(=O)C(F)(F)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220097275 824955491 /nfs/dbraw/zinc/95/54/91/824955491.db2.gz TUYGBMVMLTXAOO-SECBINFHSA-N 1 3 293.314 -0.372 20 0 CBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220123185 824960559 /nfs/dbraw/zinc/96/05/59/824960559.db2.gz YUAQKQWWXBQYIW-QMMMGPOBSA-N 1 3 253.306 -0.115 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc(F)n1 ZINC001220124728 824960618 /nfs/dbraw/zinc/96/06/18/824960618.db2.gz IQLHCFBGHFKWOX-VIFPVBQESA-N 1 3 272.349 -0.144 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCC1(F)CCOCC1 ZINC001220137208 824963045 /nfs/dbraw/zinc/96/30/45/824963045.db2.gz WJPAZWMKTPAPIW-VIFPVBQESA-N 1 3 279.381 -0.360 20 0 CBADHO N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nccs1 ZINC001220154711 824970528 /nfs/dbraw/zinc/97/05/28/824970528.db2.gz XJTLSRHLTDDTPL-PRHODGIISA-N 1 3 279.369 -0.216 20 0 CBADHO CC(C)N1CC(NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001220160276 824975036 /nfs/dbraw/zinc/97/50/36/824975036.db2.gz WQHLDMVBJDWHAD-LLVKDONJSA-N 1 3 252.362 -0.996 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220173270 824977552 /nfs/dbraw/zinc/97/75/52/824977552.db2.gz LTNUNJHEUOBPDW-WDEREUQCSA-N 1 3 287.360 -0.909 20 0 CBADHO O=C(N[C@H]1COCC[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220181288 824980951 /nfs/dbraw/zinc/98/09/51/824980951.db2.gz IJCWYXFAVZRUCV-WOPDTQHZSA-N 1 3 283.372 -0.873 20 0 CBADHO O=C(N[C@H]1COCC[C@@H]1O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220181288 824980955 /nfs/dbraw/zinc/98/09/55/824980955.db2.gz IJCWYXFAVZRUCV-WOPDTQHZSA-N 1 3 283.372 -0.873 20 0 CBADHO COc1ccnc(C(=N)NC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001220183120 824981124 /nfs/dbraw/zinc/98/11/24/824981124.db2.gz FRBAIRBDIGDXTK-JTQLQIEISA-N 1 3 292.343 -0.746 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220186788 824982712 /nfs/dbraw/zinc/98/27/12/824982712.db2.gz VFLXVLLZSZKNDJ-UWVGGRQHSA-N 1 3 278.347 -0.196 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCC1(N2CCCC2)COC1 ZINC001220197883 824983900 /nfs/dbraw/zinc/98/39/00/824983900.db2.gz VHFXOYJWWWBJES-LBPRGKRZSA-N 1 3 284.404 -0.576 20 0 CBADHO CC1(C)C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)O1 ZINC001220200259 824984449 /nfs/dbraw/zinc/98/44/49/824984449.db2.gz FRILQGICYDSSGG-JTNHKYCSSA-N 1 3 267.373 -0.131 20 0 CBADHO CC1(C)C[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])O1 ZINC001220200190 824985307 /nfs/dbraw/zinc/98/53/07/824985307.db2.gz CPOCHWBEEZZRRC-IUCAKERBSA-N 1 3 261.391 -0.311 20 0 CBADHO CC1(C)C[C@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)O1 ZINC001220200885 824985718 /nfs/dbraw/zinc/98/57/18/824985718.db2.gz YHVRGPCIENLITE-MNOVXSKESA-N 1 3 255.362 -0.003 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220203172 824985861 /nfs/dbraw/zinc/98/58/61/824985861.db2.gz YGWOZZRKGOLJQV-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220221160 824989007 /nfs/dbraw/zinc/98/90/07/824989007.db2.gz SQLAOSTTZHUSAK-AVGNSLFASA-N 1 3 296.415 -0.694 20 0 CBADHO CC1(C)C[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001220219208 824989264 /nfs/dbraw/zinc/98/92/64/824989264.db2.gz TXYRGSCETSIGOU-MNOVXSKESA-N 1 3 267.373 -0.131 20 0 CBADHO CCOC(CCNC(=O)[C@@H]1C[NH2+]CC12CNC2)OCC ZINC001220231168 824990719 /nfs/dbraw/zinc/99/07/19/824990719.db2.gz WZALSVPYYBOALT-NSHDSACASA-N 1 3 285.388 -0.299 20 0 CBADHO O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220260730 824998208 /nfs/dbraw/zinc/99/82/08/824998208.db2.gz FOHMFKUAFHPRQY-QWRGUYRKSA-N 1 3 275.356 -0.808 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261203 824998620 /nfs/dbraw/zinc/99/86/20/824998620.db2.gz UMAAXULIWVFDME-ZJUUUORDSA-N 1 3 251.334 -0.551 20 0 CBADHO O=C(N[C@H]1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220261248 824999472 /nfs/dbraw/zinc/99/94/72/824999472.db2.gz VWAWIJMTXOIKPT-TYNCELHUSA-N 1 3 289.383 -0.418 20 0 CBADHO N[C@@H](C(=O)N[C@@H]1CCc2n[nH]cc2C1)C1CC[NH2+]CC1 ZINC001220261237 825000125 /nfs/dbraw/zinc/00/01/25/825000125.db2.gz VMRPPYQFIIAMIX-DGCLKSJQSA-N 1 3 277.372 -0.290 20 0 CBADHO COCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273338 825001681 /nfs/dbraw/zinc/00/16/81/825001681.db2.gz ICMZYMMGZHTMCO-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO O=C(NCCc1cn2ccccc2n1)[C@H]1C[NH2+]CC12CNC2 ZINC001220278544 825006098 /nfs/dbraw/zinc/00/60/98/825006098.db2.gz WOVYBEROFYMIEH-CYBMUJFWSA-N 1 3 299.378 -0.198 20 0 CBADHO O=C(NCc1cccc2n[nH]cc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220308499 825011426 /nfs/dbraw/zinc/01/14/26/825011426.db2.gz LJQNQMCCIQHIBR-LBPRGKRZSA-N 1 3 285.351 -0.012 20 0 CBADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cnn(C)c1 ZINC001220309010 825012047 /nfs/dbraw/zinc/01/20/47/825012047.db2.gz SHOPDJMQQHWQQV-SCZZXKLOSA-N 1 3 271.390 -0.384 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316891 825013378 /nfs/dbraw/zinc/01/33/78/825013378.db2.gz UMJBYDSKNMAEMN-MBNYWOFBSA-N 1 3 293.371 -0.693 20 0 CBADHO NC(C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC001220321899 825014888 /nfs/dbraw/zinc/01/48/88/825014888.db2.gz ZVZRHNSNSZHWEA-MRTMQBJTSA-N 1 3 281.278 -0.097 20 0 CBADHO O=C(N[C@@H]1CC12CCOCC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220329403 825016829 /nfs/dbraw/zinc/01/68/29/825016829.db2.gz ONEIGRIMJGLPLK-WDEREUQCSA-N 1 3 265.357 -0.519 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220369383 825021083 /nfs/dbraw/zinc/02/10/83/825021083.db2.gz VSBHPIDDHNOZPE-QMMMGPOBSA-N 1 3 257.725 -0.188 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@@H](N)CC[NH3+])CCC2 ZINC001220377053 825023865 /nfs/dbraw/zinc/02/38/65/825023865.db2.gz ISGCWRUVBFINIR-NSHDSACASA-N 1 3 263.345 -0.504 20 0 CBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncccc1O ZINC001220390300 825026459 /nfs/dbraw/zinc/02/64/59/825026459.db2.gz XDZPYDAWEXUBIZ-NSHDSACASA-N 1 3 293.371 -0.846 20 0 CBADHO COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220406549 825032721 /nfs/dbraw/zinc/03/27/21/825032721.db2.gz SPZQTZUFOSDNHE-DCAQKATOSA-N 1 3 271.361 -0.099 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220406551 825032932 /nfs/dbraw/zinc/03/29/32/825032932.db2.gz SPZQTZUFOSDNHE-VWYCJHECSA-N 1 3 271.361 -0.099 20 0 CBADHO O=C(NC1CCN(CCF)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220436420 825040268 /nfs/dbraw/zinc/04/02/68/825040268.db2.gz VYCILFHGHYINMB-IUODEOHRSA-N 1 3 298.406 -0.264 20 0 CBADHO O=C(NC[C@@H](O)C1CCCCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220466317 825045174 /nfs/dbraw/zinc/04/51/74/825045174.db2.gz ATMYVNQLWMUAIA-CHWSQXEVSA-N 1 3 281.400 -0.147 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220494283 825050303 /nfs/dbraw/zinc/05/03/03/825050303.db2.gz JBLIPAGTTSROPR-SECBINFHSA-N 1 3 271.365 -0.850 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCN1CC2(COC2)C1 ZINC001220571004 825062975 /nfs/dbraw/zinc/06/29/75/825062975.db2.gz GIBGWKOTQCTCBD-ZDUSSCGKSA-N 1 3 298.431 -0.506 20 0 CBADHO C[C@@H]1COCC[C@@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220566117 825063305 /nfs/dbraw/zinc/06/33/05/825063305.db2.gz ZSTBJXRFJWYEMB-ADEWGFFLSA-N 1 3 255.362 -0.146 20 0 CBADHO C[C@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220565634 825064621 /nfs/dbraw/zinc/06/46/21/825064621.db2.gz OPJQLNYNRCXOBY-FMCLSXCISA-N 1 3 267.373 -0.273 20 0 CBADHO COC(=O)[C@H](NC(=O)[C@H](N)CCC[NH3+])C(F)(F)F ZINC001220588565 825072048 /nfs/dbraw/zinc/07/20/48/825072048.db2.gz VAESVSBLYDAFDN-RITPCOANSA-N 1 3 271.239 -0.727 20 0 CBADHO CC(=O)N1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220596803 825074089 /nfs/dbraw/zinc/07/40/89/825074089.db2.gz IMQRFQZREIVXRU-LBPRGKRZSA-N 1 3 280.372 -0.793 20 0 CBADHO CC(=O)N1CC(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220596803 825074093 /nfs/dbraw/zinc/07/40/93/825074093.db2.gz IMQRFQZREIVXRU-LBPRGKRZSA-N 1 3 280.372 -0.793 20 0 CBADHO C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ncc(F)cn1 ZINC001220598831 825076474 /nfs/dbraw/zinc/07/64/74/825076474.db2.gz FATHQXQICUVAAP-PSASIEDQSA-N 1 3 279.319 -0.398 20 0 CBADHO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H](C)CC ZINC001220665768 825082323 /nfs/dbraw/zinc/08/23/23/825082323.db2.gz KNQVLDDNCSZGSB-QJPTWQEYSA-N 1 3 297.399 -0.111 20 0 CBADHO CS(=O)(=O)c1ccccc1CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220684014 825084089 /nfs/dbraw/zinc/08/40/89/825084089.db2.gz VQILHSCARCMRHG-NSHDSACASA-N 1 3 299.396 -0.228 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678859 825085227 /nfs/dbraw/zinc/08/52/27/825085227.db2.gz OHORSJNHAQUBKI-NOOOWODRSA-N 1 3 297.403 -0.449 20 0 CBADHO Nc1ncc(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)s1 ZINC001220704907 825089158 /nfs/dbraw/zinc/08/91/58/825089158.db2.gz XWMBCJGCMKTOTA-JTQLQIEISA-N 1 3 283.401 -0.289 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC1Oc2ccccc2O1 ZINC001220708710 825090284 /nfs/dbraw/zinc/09/02/84/825090284.db2.gz DZFHFAMQIFBUQP-VIFPVBQESA-N 1 3 265.313 -0.034 20 0 CBADHO C[C@@](CO)(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220710994 825091850 /nfs/dbraw/zinc/09/18/50/825091850.db2.gz HXAHNUKAEZSIBR-HIFRSBDPSA-N 1 3 289.379 -0.181 20 0 CBADHO C[C@](CO)(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220710995 825092483 /nfs/dbraw/zinc/09/24/83/825092483.db2.gz HXAHNUKAEZSIBR-UKRRQHHQSA-N 1 3 289.379 -0.181 20 0 CBADHO COC(CCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)OC ZINC001220741062 825095718 /nfs/dbraw/zinc/09/57/18/825095718.db2.gz CUXFRAWDCWJDIA-JTQLQIEISA-N 1 3 271.361 -0.689 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220758937 825098068 /nfs/dbraw/zinc/09/80/68/825098068.db2.gz NCWPVJOFRVKZQH-CYBMUJFWSA-N 1 3 284.404 -0.264 20 0 CBADHO CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220766054 825098627 /nfs/dbraw/zinc/09/86/27/825098627.db2.gz KXSPAIJMKFHESB-YAMSLAJTSA-N 1 3 267.373 -0.539 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220848781 825110903 /nfs/dbraw/zinc/11/09/03/825110903.db2.gz IVSBRWAMHHVRAH-MWLCHTKSSA-N 1 3 271.361 -0.371 20 0 CBADHO CCOC(=O)C1(NC(=O)[C@H]([NH3+])c2ccccc2)CNC1 ZINC001220851337 825112164 /nfs/dbraw/zinc/11/21/64/825112164.db2.gz REDNPYZDZXQQSK-LLVKDONJSA-N 1 3 277.324 -0.292 20 0 CBADHO CCOC(=O)C1(NC(=O)[C@H](N)c2ccccc2)C[NH2+]C1 ZINC001220851337 825112167 /nfs/dbraw/zinc/11/21/67/825112167.db2.gz REDNPYZDZXQQSK-LLVKDONJSA-N 1 3 277.324 -0.292 20 0 CBADHO O=C(NCCO[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220861870 825113675 /nfs/dbraw/zinc/11/36/75/825113675.db2.gz HMCJIPJQECITQL-UMVBOHGHSA-N 1 3 297.399 -0.155 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001220855406 825113687 /nfs/dbraw/zinc/11/36/87/825113687.db2.gz XCAIQHLELAWWSV-HXPMCKFVSA-N 1 3 283.397 -0.143 20 0 CBADHO O=C(NCCO[C@@H]1CCCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220862241 825114877 /nfs/dbraw/zinc/11/48/77/825114877.db2.gz UPULZBXAPMZPLN-NWDGAFQWSA-N 1 3 283.372 -0.545 20 0 CBADHO O=C(NCCO[C@H]1CCCCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001220862240 825115059 /nfs/dbraw/zinc/11/50/59/825115059.db2.gz UPULZBXAPMZPLN-NEPJUHHUSA-N 1 3 283.372 -0.545 20 0 CBADHO CCC[C@@H](CCO)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220870230 825116987 /nfs/dbraw/zinc/11/69/87/825116987.db2.gz JVQVYVKXQRTABY-NWDGAFQWSA-N 1 3 257.378 -0.019 20 0 CBADHO COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220881540 825118564 /nfs/dbraw/zinc/11/85/64/825118564.db2.gz MGUJRMDZIDSQAA-WOPDTQHZSA-N 1 3 285.388 -0.029 20 0 CBADHO COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220881576 825118967 /nfs/dbraw/zinc/11/89/67/825118967.db2.gz NBJRMSCMKSBTJO-NJBDSQKTSA-N 1 3 281.356 -0.889 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CNCc2ccnn2C1 ZINC001220882607 825119954 /nfs/dbraw/zinc/11/99/54/825119954.db2.gz XFJAEKACNXZSPP-WDEREUQCSA-N 1 3 263.345 -0.529 20 0 CBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886943 825121047 /nfs/dbraw/zinc/12/10/47/825121047.db2.gz QFLCVCAXVSGFPG-MNOVXSKESA-N 1 3 270.377 -0.656 20 0 CBADHO COC(=O)C[C@@H](NC(=O)[C@H](N)CCC[NH3+])c1ccccn1 ZINC001220901248 825122613 /nfs/dbraw/zinc/12/26/13/825122613.db2.gz VEESRPXOYKQUFF-ZYHUDNBSSA-N 1 3 294.355 -0.132 20 0 CBADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)CCC[NH3+])c1ccccn1 ZINC001220901245 825122813 /nfs/dbraw/zinc/12/28/13/825122813.db2.gz VEESRPXOYKQUFF-CMPLNLGQSA-N 1 3 294.355 -0.132 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001220915181 825123742 /nfs/dbraw/zinc/12/37/42/825123742.db2.gz QQSJCZZUCZAKKH-RDBSUJKOSA-N 1 3 289.383 -0.539 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001220915181 825123746 /nfs/dbraw/zinc/12/37/46/825123746.db2.gz QQSJCZZUCZAKKH-RDBSUJKOSA-N 1 3 289.383 -0.539 20 0 CBADHO Cc1noc(C2(NC(=O)[C@@H](N)C3CC[NH2+]CC3)CC2)n1 ZINC001220932594 825126258 /nfs/dbraw/zinc/12/62/58/825126258.db2.gz ONGQYIFBIHJJAO-JTQLQIEISA-N 1 3 279.344 -0.190 20 0 CBADHO NC(C(=O)NCCO[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC001220937643 825126834 /nfs/dbraw/zinc/12/68/34/825126834.db2.gz WTMWMCWRLUCQSJ-RQJHMYQMSA-N 1 3 255.240 -0.629 20 0 CBADHO COc1ccc(CNC(=O)[C@H](N)CCC[NH3+])nc1OC ZINC001220955465 825128686 /nfs/dbraw/zinc/12/86/86/825128686.db2.gz JNPBJXWHJGCNNJ-SNVBAGLBSA-N 1 3 282.344 -0.219 20 0 CBADHO O=C(NCc1cn(CC2CC2)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221024144 825138253 /nfs/dbraw/zinc/13/82/53/825138253.db2.gz ZKVHLDGPPPBFRS-CYBMUJFWSA-N 1 3 289.383 -0.282 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)[nH]1 ZINC001221079561 825141690 /nfs/dbraw/zinc/14/16/90/825141690.db2.gz FGELMVAUVGNRMU-JTQLQIEISA-N 1 3 292.339 -0.774 20 0 CBADHO O=C(NCc1ccnn1CCF)[C@H]1C[NH2+]CC12CNC2 ZINC001221106149 825145540 /nfs/dbraw/zinc/14/55/40/825145540.db2.gz NVVHPWHXRAZALW-LLVKDONJSA-N 1 3 281.335 -0.722 20 0 CBADHO NC[C@H](N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114246 825145557 /nfs/dbraw/zinc/14/55/57/825145557.db2.gz SGZAKHNJOUUBOW-NSHDSACASA-N 1 3 277.372 -0.895 20 0 CBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC001221188155 825151998 /nfs/dbraw/zinc/15/19/98/825151998.db2.gz PSOADRBQOHHVSG-WDSKDSINSA-N 1 3 271.239 -0.727 20 0 CBADHO Cc1cccc([C@@H](CO)NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001221192551 825153017 /nfs/dbraw/zinc/15/30/17/825153017.db2.gz XBDYQEYCAJXOLK-ZIAGYGMSSA-N 1 3 289.379 -0.046 20 0 CBADHO CCCC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001221234944 825157132 /nfs/dbraw/zinc/15/71/32/825157132.db2.gz OUSMEDPMHNCTPN-UWVGGRQHSA-N 1 3 258.366 -0.397 20 0 CBADHO CCCC[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001221234903 825157407 /nfs/dbraw/zinc/15/74/07/825157407.db2.gz NJOHIIYBCWPDKT-WDEREUQCSA-N 1 3 270.377 -0.526 20 0 CBADHO C[N@@H+]1CCC[C@](C)(NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001221241113 825158626 /nfs/dbraw/zinc/15/86/26/825158626.db2.gz OGIPMIOMROYORU-WFASDCNBSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@](C)(NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001221241113 825158628 /nfs/dbraw/zinc/15/86/28/825158628.db2.gz OGIPMIOMROYORU-WFASDCNBSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001221254757 825161750 /nfs/dbraw/zinc/16/17/50/825161750.db2.gz SFHDIOZURJBVMU-YMNVWFMLSA-N 1 3 261.391 -0.850 20 0 CBADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001221254757 825161751 /nfs/dbraw/zinc/16/17/51/825161751.db2.gz SFHDIOZURJBVMU-YMNVWFMLSA-N 1 3 261.391 -0.850 20 0 CBADHO O=C(NC1CN(C2COC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221246322 825162549 /nfs/dbraw/zinc/16/25/49/825162549.db2.gz XTHJSLGDTQOIHB-ZDUSSCGKSA-N 1 3 294.399 -0.940 20 0 CBADHO O=C(NC1CN(C2COC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221246322 825162552 /nfs/dbraw/zinc/16/25/52/825162552.db2.gz XTHJSLGDTQOIHB-ZDUSSCGKSA-N 1 3 294.399 -0.940 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@H](N)C1CC[NH2+]CC1)OCC ZINC001221262603 825163251 /nfs/dbraw/zinc/16/32/51/825163251.db2.gz JTSLOONIKIWZBI-PRWOLLLXSA-N 1 3 299.371 -0.130 20 0 CBADHO CC(C)(O)[C@H](F)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001221260468 825163772 /nfs/dbraw/zinc/16/37/72/825163772.db2.gz QXDKHTVGWFACEL-JGVFFNPUSA-N 1 3 267.370 -0.769 20 0 CBADHO N[C@H](C(=O)N[C@@H]1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001221268835 825165745 /nfs/dbraw/zinc/16/57/45/825165745.db2.gz DWVJMHYCLZYVBH-PWSUYJOCSA-N 1 3 268.361 -0.902 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298243 825168603 /nfs/dbraw/zinc/16/86/03/825168603.db2.gz HPRRKLUMWZVROM-LLVKDONJSA-N 1 3 276.340 -0.136 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC001221309058 825169811 /nfs/dbraw/zinc/16/98/11/825169811.db2.gz GEWTYTPMMIUAMI-SECBINFHSA-N 1 3 284.385 -0.340 20 0 CBADHO Cc1ncsc1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221327686 825170632 /nfs/dbraw/zinc/17/06/32/825170632.db2.gz CQKBGFGWYKBMRR-SNVBAGLBSA-N 1 3 280.397 -0.081 20 0 CBADHO COc1cnccc1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221337054 825173612 /nfs/dbraw/zinc/17/36/12/825173612.db2.gz OQPCXZCOJNQEGI-GFCCVEGCSA-N 1 3 290.367 -0.442 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC001221347592 825174808 /nfs/dbraw/zinc/17/48/08/825174808.db2.gz PRYOJQOFLRKQPM-UWVGGRQHSA-N 1 3 256.350 -0.820 20 0 CBADHO N[C@H]1CCCCN(CC(=O)NCCCC[NH3+])C1=O ZINC001221348166 825175325 /nfs/dbraw/zinc/17/53/25/825175325.db2.gz VEZHOIZJIFCNSH-JTQLQIEISA-N 1 3 256.350 -0.819 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367136 825176247 /nfs/dbraw/zinc/17/62/47/825176247.db2.gz XQDFIEYLSBAHOF-OPRDCNLKSA-N 1 3 255.297 -0.904 20 0 CBADHO COC1CC(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001221366342 825176555 /nfs/dbraw/zinc/17/65/55/825176555.db2.gz HDXONCWZBSQAPF-YFTKGUKSSA-N 1 3 267.373 -0.273 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)O1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221371823 825178063 /nfs/dbraw/zinc/17/80/63/825178063.db2.gz ZCDYOJRTYRJIDG-NXEZZACHSA-N 1 3 282.344 -0.915 20 0 CBADHO O=C(NC[C@@H]1CNC(=O)O1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221371823 825178068 /nfs/dbraw/zinc/17/80/68/825178068.db2.gz ZCDYOJRTYRJIDG-NXEZZACHSA-N 1 3 282.344 -0.915 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378595 825178651 /nfs/dbraw/zinc/17/86/51/825178651.db2.gz YIDBABZEPCUGSY-QWHCGFSZSA-N 1 3 265.357 -0.055 20 0 CBADHO C[C@]1(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCCOC1 ZINC001221403111 825182372 /nfs/dbraw/zinc/18/23/72/825182372.db2.gz QGKHNAUFLCQPAT-YPMHNXCESA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001221397922 825182543 /nfs/dbraw/zinc/18/25/43/825182543.db2.gz QJYBWJAFMSVACG-SOUVJXGZSA-N 1 3 289.379 -0.213 20 0 CBADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001221402288 825183098 /nfs/dbraw/zinc/18/30/98/825183098.db2.gz BWTCLDLZWPETNG-VXGBXAGGSA-N 1 3 269.389 -0.053 20 0 CBADHO CN1CCC(CO)(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC001221403322 825183383 /nfs/dbraw/zinc/18/33/83/825183383.db2.gz BTXKLLJYIFFSHQ-UHFFFAOYSA-N 1 3 267.373 -0.131 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC001221407339 825183851 /nfs/dbraw/zinc/18/38/51/825183851.db2.gz XXNXLJAEDDTNHG-LBPRGKRZSA-N 1 3 255.362 -0.441 20 0 CBADHO COC(=O)[C@H]1CNCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001222414155 825210227 /nfs/dbraw/zinc/21/02/27/825210227.db2.gz JHPQFYJUBZXVOW-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)N(C)C ZINC001227056301 825295374 /nfs/dbraw/zinc/29/53/74/825295374.db2.gz FIONSQKHBXYZKJ-IJLUTSLNSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCO)CC1)C1CC1 ZINC001227798439 825309180 /nfs/dbraw/zinc/30/91/80/825309180.db2.gz YERFVUTVACHKSW-CYBMUJFWSA-N 1 3 269.389 -0.101 20 0 CBADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138232 825343407 /nfs/dbraw/zinc/34/34/07/825343407.db2.gz LHNVOHVLVNKIMY-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138232 825343417 /nfs/dbraw/zinc/34/34/17/825343417.db2.gz LHNVOHVLVNKIMY-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO C(c1nc2c(s1)CNCC2)N1CCNC[C@@]12CC[NH2+]C2 ZINC001234986722 825479677 /nfs/dbraw/zinc/47/96/77/825479677.db2.gz CAAXRGCUXVGJCM-AWEZNQCLSA-N 1 3 293.440 -0.074 20 0 CBADHO c1cc2n(c1CN1CCN[C@@]3(CC[NH2+]C3)C1)CCNC2 ZINC001235052662 825484354 /nfs/dbraw/zinc/48/43/54/825484354.db2.gz GNXLGWUWABIECE-OAHLLOKOSA-N 1 3 275.400 -0.271 20 0 CBADHO CC1(C)[NH2+]C[C@@H](CN2CC[C@@H]3OCCN[C@H]3C2)O1 ZINC001235207096 825488410 /nfs/dbraw/zinc/48/84/10/825488410.db2.gz VJGATYBMJHQQDB-SRVKXCTJSA-N 1 3 255.362 -0.226 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@H]1CO ZINC001235443375 825496620 /nfs/dbraw/zinc/49/66/20/825496620.db2.gz MZYLKTATQRDGQP-VWYCJHECSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@H]1CO ZINC001235443375 825496624 /nfs/dbraw/zinc/49/66/24/825496624.db2.gz MZYLKTATQRDGQP-VWYCJHECSA-N 1 3 263.332 -0.257 20 0 CBADHO C[C@@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523339 825501791 /nfs/dbraw/zinc/50/17/91/825501791.db2.gz XBUNUTQVVKSLIP-MROQNXINSA-N 1 3 284.404 -0.058 20 0 CBADHO C[C@@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001235523339 825501798 /nfs/dbraw/zinc/50/17/98/825501798.db2.gz XBUNUTQVVKSLIP-MROQNXINSA-N 1 3 284.404 -0.058 20 0 CBADHO COC(=O)[C@@H]1CNCCN1Cc1ccc2n1CC[NH2+]C2 ZINC001236055401 825520659 /nfs/dbraw/zinc/52/06/59/825520659.db2.gz QZGVUSWSYPHSTA-ZDUSSCGKSA-N 1 3 278.356 -0.462 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C[C@H]1CCC[N@H+](C)C1 ZINC001236053468 825520912 /nfs/dbraw/zinc/52/09/12/825520912.db2.gz WWEPEMAETSTSOY-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C[C@H]1CCC[N@@H+](C)C1 ZINC001236053468 825520916 /nfs/dbraw/zinc/52/09/16/825520916.db2.gz WWEPEMAETSTSOY-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO CCOC(=O)[C@]12C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]1CNCC2 ZINC001236038122 825521392 /nfs/dbraw/zinc/52/13/92/825521392.db2.gz NUTOSILWDQBNAS-TYNCELHUSA-N 1 3 295.383 -0.260 20 0 CBADHO CCOC(=O)[C@]12C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]1CNCC2 ZINC001236038122 825521398 /nfs/dbraw/zinc/52/13/98/825521398.db2.gz NUTOSILWDQBNAS-TYNCELHUSA-N 1 3 295.383 -0.260 20 0 CBADHO COC(=O)[C@H](N)C1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236067908 825522981 /nfs/dbraw/zinc/52/29/81/825522981.db2.gz RMJRTLJIFYFBOB-NWDGAFQWSA-N 1 3 285.388 -0.077 20 0 CBADHO COC(=O)[C@H](N)C1CC[NH+](C[C@@H]2CNC(C)(C)O2)CC1 ZINC001236067908 825522985 /nfs/dbraw/zinc/52/29/85/825522985.db2.gz RMJRTLJIFYFBOB-NWDGAFQWSA-N 1 3 285.388 -0.077 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@H]1CC[NH2+]C[C@@H]1F ZINC001238049049 825544919 /nfs/dbraw/zinc/54/49/19/825544919.db2.gz CUTHIISXLOTRJT-QWRGUYRKSA-N 1 3 279.381 -0.395 20 0 CBADHO NCCS(=O)(=O)N[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001238216963 825549244 /nfs/dbraw/zinc/54/92/44/825549244.db2.gz BIZCGRYVLNOUQK-JTQLQIEISA-N 1 3 261.391 -0.213 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@H]1CCOC12C[NH2+]C2 ZINC001238228505 825549532 /nfs/dbraw/zinc/54/95/32/825549532.db2.gz NDORNUINKZDIRJ-NSHDSACASA-N 1 3 289.401 -0.964 20 0 CBADHO NCCS(=O)(=O)NCC[C@H]1CCOC12CC[NH2+]CC2 ZINC001238276699 825550598 /nfs/dbraw/zinc/55/05/98/825550598.db2.gz MAAFOCRGIAHOTA-NSHDSACASA-N 1 3 291.417 -0.587 20 0 CBADHO NCCS(=O)(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001238748992 825562351 /nfs/dbraw/zinc/56/23/51/825562351.db2.gz ROEXPZDWKBDEOI-NWDGAFQWSA-N 1 3 284.385 -0.390 20 0 CBADHO Cc1ccnc(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878363 825567886 /nfs/dbraw/zinc/56/78/86/825567886.db2.gz DKXSKYNULKWSBB-UHFFFAOYSA-N 1 3 286.401 -0.003 20 0 CBADHO C[C@H]1CNCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238967838 825578862 /nfs/dbraw/zinc/57/88/62/825578862.db2.gz UYOXKXUHVVJCRA-NSHDSACASA-N 1 3 275.418 -0.143 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001239073234 825585459 /nfs/dbraw/zinc/58/54/59/825585459.db2.gz LCCPJBBHMIXVMS-NEPJUHHUSA-N 1 3 275.418 -0.014 20 0 CBADHO NCCS(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001239097688 825587026 /nfs/dbraw/zinc/58/70/26/825587026.db2.gz QCSDZSFWMLDDMI-LLVKDONJSA-N 1 3 261.391 -0.261 20 0 CBADHO CCCN(CCC[NH+](C)C)S(=O)(=O)CCN ZINC001239132016 825592339 /nfs/dbraw/zinc/59/23/39/825592339.db2.gz CKJRDQDLHJBVEY-UHFFFAOYSA-N 1 3 251.396 -0.061 20 0 CBADHO NCCS(=O)(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001239170040 825595617 /nfs/dbraw/zinc/59/56/17/825595617.db2.gz IBLJJZCJNHGKFA-LBPRGKRZSA-N 1 3 269.370 -0.340 20 0 CBADHO OC[C@H]1C[NH2+]C[C@H]1NC(=S)NCCN1CCCCC1 ZINC001239378667 825601876 /nfs/dbraw/zinc/60/18/76/825601876.db2.gz SSMTWLLWFWWARU-VXGBXAGGSA-N 1 3 286.445 -0.483 20 0 CBADHO C[C@@H]1CC[C@H](CNC[C@@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977506 825615933 /nfs/dbraw/zinc/61/59/33/825615933.db2.gz WQISJPNRWKGRQC-MGPQQGTHSA-N 1 3 271.405 -0.343 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@H](O)CN1CCOCC1 ZINC001245984546 825618016 /nfs/dbraw/zinc/61/80/16/825618016.db2.gz QRPZRYPMGAZMKQ-RDBSUJKOSA-N 1 3 271.405 -0.485 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@@H](O)CN1CCOCC1 ZINC001245984536 825618028 /nfs/dbraw/zinc/61/80/28/825618028.db2.gz QRPZRYPMGAZMKQ-HZSPNIEDSA-N 1 3 271.405 -0.485 20 0 CBADHO N[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1F ZINC001246013740 825620566 /nfs/dbraw/zinc/62/05/66/825620566.db2.gz JQPIGWWZXLDMSH-ZOBORPQBSA-N 1 3 267.348 -0.102 20 0 CBADHO [NH3+][C@H]1CCCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC001246018970 825622831 /nfs/dbraw/zinc/62/28/31/825622831.db2.gz ZYFZUFLXSRCNFP-QWHCGFSZSA-N 1 3 257.378 -0.507 20 0 CBADHO CCCOC[C@H](O)C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246027859 825625394 /nfs/dbraw/zinc/62/53/94/825625394.db2.gz YPHNIOSPBPOEIH-DOMZBBRYSA-N 1 3 297.399 -0.815 20 0 CBADHO CCCOC[C@H](O)C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246027859 825625397 /nfs/dbraw/zinc/62/53/97/825625397.db2.gz YPHNIOSPBPOEIH-DOMZBBRYSA-N 1 3 297.399 -0.815 20 0 CBADHO CCOC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246078578 825634021 /nfs/dbraw/zinc/63/40/21/825634021.db2.gz BKZVGWRFYQHIEG-NTZNESFSSA-N 1 3 289.351 -0.131 20 0 CBADHO c1c(CN[C@@H]2CCNC3(C[NH2+]C3)C2)nc2ncccn12 ZINC001246079464 825634092 /nfs/dbraw/zinc/63/40/92/825634092.db2.gz ZGZOHAWGUDHIOT-LLVKDONJSA-N 1 3 272.356 -0.087 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@@H]2CC[NH2+][C@@H]2C)CN1 ZINC001246093817 825635387 /nfs/dbraw/zinc/63/53/87/825635387.db2.gz QJECPZMCZQPLOH-KXNHARMFSA-N 1 3 255.362 -0.132 20 0 CBADHO O=c1[nH][n-]cc1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173254 825644692 /nfs/dbraw/zinc/64/46/92/825644692.db2.gz KRMUGLRAPMBNNA-QWRGUYRKSA-N 1 3 265.361 -0.818 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)CC2)CN1 ZINC001246182811 825646793 /nfs/dbraw/zinc/64/67/93/825646793.db2.gz AAEABULWUNIFQB-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C)C2)CN1 ZINC001246183983 825646861 /nfs/dbraw/zinc/64/68/61/825646861.db2.gz YDEZPKHIRCLZLA-UTUOFQBUSA-N 1 3 255.362 -0.179 20 0 CBADHO NC(=O)[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246193968 825647829 /nfs/dbraw/zinc/64/78/29/825647829.db2.gz WXMYVRJEDXXCBA-OLZOCXBDSA-N 1 3 274.368 -0.103 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246200140 825649713 /nfs/dbraw/zinc/64/97/13/825649713.db2.gz OQFGBGDNBBUSAJ-UTUOFQBUSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C)CN1 ZINC001246209411 825650689 /nfs/dbraw/zinc/65/06/89/825650689.db2.gz HSVUMCDMRIXNOO-RHYQMDGZSA-N 1 3 255.362 -0.132 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255455 825656192 /nfs/dbraw/zinc/65/61/92/825656192.db2.gz KJPLNOGHJRCPIO-MNXVOIDGSA-N 1 3 283.372 -0.609 20 0 CBADHO CC(=O)N[C@@H](CCCCN[C@H]1CC[C@@H](C)[NH2+]C1)C(N)=O ZINC001246269125 825657700 /nfs/dbraw/zinc/65/77/00/825657700.db2.gz KXXUUCUFFQZLAB-WXHSDQCUSA-N 1 3 284.404 -0.123 20 0 CBADHO CC(=O)N[C@@H](CCCCN[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001246266374 825657797 /nfs/dbraw/zinc/65/77/97/825657797.db2.gz BQWXMEPLKRTAMT-NEPJUHHUSA-N 1 3 270.377 -0.512 20 0 CBADHO COc1ccc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)nn1 ZINC001246263891 825657804 /nfs/dbraw/zinc/65/78/04/825657804.db2.gz VDPRWNBDRNJRAN-SNVBAGLBSA-N 1 3 263.345 -0.331 20 0 CBADHO OC[C@@H]1CNC[C@@H]1[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246302338 825662366 /nfs/dbraw/zinc/66/23/66/825662366.db2.gz DANOGJLWONNVQH-YFKTTZPYSA-N 1 3 266.349 -0.673 20 0 CBADHO OC[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246306965 825663256 /nfs/dbraw/zinc/66/32/56/825663256.db2.gz CIZDTXPXSJXPJM-WCQYABFASA-N 1 3 262.357 -0.201 20 0 CBADHO CC(=O)N1CCC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246416773 825672978 /nfs/dbraw/zinc/67/29/78/825672978.db2.gz LSXLDDKWENGDBF-NEPJUHHUSA-N 1 3 270.377 -0.430 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N[C@H](C2CC2)C2C[NH2+]C2)CN1 ZINC001246517807 825678638 /nfs/dbraw/zinc/67/86/38/825678638.db2.gz MUXJHEKVEBWQOP-FRRDWIJNSA-N 1 3 267.373 -0.132 20 0 CBADHO C1OCC1N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246533122 825681184 /nfs/dbraw/zinc/68/11/84/825681184.db2.gz BZMOVVBTLXAYES-GFCCVEGCSA-N 1 3 266.389 -0.903 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CN1 ZINC001246546983 825682670 /nfs/dbraw/zinc/68/26/70/825682670.db2.gz BPSKRAGGZBKEGZ-DYEKYZERSA-N 1 3 285.388 -0.544 20 0 CBADHO CC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@@](O)(CN)C2)C1 ZINC001246561684 825686401 /nfs/dbraw/zinc/68/64/01/825686401.db2.gz SBMZZRKOOPRETC-CHWSQXEVSA-N 1 3 255.362 -0.217 20 0 CBADHO CC(=O)N1CC[C@@H]([N@H+]2CCCC[C@@](O)(CN)C2)C1 ZINC001246561684 825686403 /nfs/dbraw/zinc/68/64/03/825686403.db2.gz SBMZZRKOOPRETC-CHWSQXEVSA-N 1 3 255.362 -0.217 20 0 CBADHO NC[C@H]1C[N@@H+](C2CCC3(CC2)OCCO3)C[C@H]1O ZINC001246576427 825688945 /nfs/dbraw/zinc/68/89/45/825688945.db2.gz FVXPPBXWSCDZEA-CMPLNLGQSA-N 1 3 256.346 -0.077 20 0 CBADHO NC[C@H]1C[N@H+](C2CCC3(CC2)OCCO3)C[C@H]1O ZINC001246576427 825688964 /nfs/dbraw/zinc/68/89/64/825688964.db2.gz FVXPPBXWSCDZEA-CMPLNLGQSA-N 1 3 256.346 -0.077 20 0 CBADHO C[C@@]1(O)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246577041 825688976 /nfs/dbraw/zinc/68/89/76/825688976.db2.gz QIKUHJPWQVDQNK-GRYCIOLGSA-N 1 3 257.353 -0.125 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579329 825689640 /nfs/dbraw/zinc/68/96/40/825689640.db2.gz ILHKFOFJUJUYTE-FIQHERPVSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C[C@H]1O ZINC001246579329 825689646 /nfs/dbraw/zinc/68/96/46/825689646.db2.gz ILHKFOFJUJUYTE-FIQHERPVSA-N 1 3 253.346 -0.609 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580770 825690488 /nfs/dbraw/zinc/69/04/88/825690488.db2.gz OVOADNQPNRZOBA-NNYUYHANSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246580770 825690490 /nfs/dbraw/zinc/69/04/90/825690490.db2.gz OVOADNQPNRZOBA-NNYUYHANSA-N 1 3 266.349 -0.592 20 0 CBADHO CCOC(=O)CN1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246583023 825691187 /nfs/dbraw/zinc/69/11/87/825691187.db2.gz IINSDDATVPFERH-WCQYABFASA-N 1 3 285.388 -0.735 20 0 CBADHO CCOC(=O)CN1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246583023 825691188 /nfs/dbraw/zinc/69/11/88/825691188.db2.gz IINSDDATVPFERH-WCQYABFASA-N 1 3 285.388 -0.735 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1CCCC[NH2+]C1 ZINC001246598814 825694094 /nfs/dbraw/zinc/69/40/94/825694094.db2.gz ORBLNFIUXKUMSK-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO COC(=O)[C@@H]1CNCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246620507 825696862 /nfs/dbraw/zinc/69/68/62/825696862.db2.gz JVVDFIOFNRCNIX-MBYGNEARSA-N 1 3 253.346 -0.284 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CCC3(C2)CC[NH2+]CC3)CN1 ZINC001246636127 825699404 /nfs/dbraw/zinc/69/94/04/825699404.db2.gz CRRIUCSPQUOBEG-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC3(CC[NH2+]C3)CC2)CN1 ZINC001246642772 825701389 /nfs/dbraw/zinc/70/13/89/825701389.db2.gz OZMNGUGHSGPRGQ-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246680251 825706496 /nfs/dbraw/zinc/70/64/96/825706496.db2.gz SQLGFHXCZYPIIZ-WCQGTBRESA-N 1 3 253.346 -0.569 20 0 CBADHO CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2C1CCNCC1 ZINC001246746249 825708657 /nfs/dbraw/zinc/70/86/57/825708657.db2.gz HCXNMRSAKRFJIG-STQMWFEESA-N 1 3 294.399 -0.498 20 0 CBADHO CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2C1CCNCC1 ZINC001246746249 825708665 /nfs/dbraw/zinc/70/86/65/825708665.db2.gz HCXNMRSAKRFJIG-STQMWFEESA-N 1 3 294.399 -0.498 20 0 CBADHO COC1C[C@@H]2COC[C@H](C1)N2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246761062 825708843 /nfs/dbraw/zinc/70/88/43/825708843.db2.gz RXWBAZNJMBDILR-HABKJSAYSA-N 1 3 281.400 -0.041 20 0 CBADHO COCCN1C[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]2C1=O ZINC001246753574 825709015 /nfs/dbraw/zinc/70/90/15/825709015.db2.gz GOFBDIRQYLXZKW-YPMHNXCESA-N 1 3 267.373 -0.225 20 0 CBADHO COCCN1C[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]2C1=O ZINC001246753574 825709018 /nfs/dbraw/zinc/70/90/18/825709018.db2.gz GOFBDIRQYLXZKW-YPMHNXCESA-N 1 3 267.373 -0.225 20 0 CBADHO CC1(C)C(=O)NCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788759 825710816 /nfs/dbraw/zinc/71/08/16/825710816.db2.gz IZEYYVSQIWFGHI-JTQLQIEISA-N 1 3 252.362 -0.709 20 0 CBADHO COCC[N@H+]([C@@H]1CN[C@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001246779538 825710898 /nfs/dbraw/zinc/71/08/98/825710898.db2.gz QBGRHAKJXVFBGB-KBPBESRZSA-N 1 3 299.415 -0.068 20 0 CBADHO COCC[N@@H+]([C@@H]1CN[C@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001246779538 825710900 /nfs/dbraw/zinc/71/09/00/825710900.db2.gz QBGRHAKJXVFBGB-KBPBESRZSA-N 1 3 299.415 -0.068 20 0 CBADHO CCOC(=O)C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246799904 825713718 /nfs/dbraw/zinc/71/37/18/825713718.db2.gz UXIUNLRWLHKKQT-NSHDSACASA-N 1 3 253.346 -0.425 20 0 CBADHO O=C1CC[C@@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246827863 825717935 /nfs/dbraw/zinc/71/79/35/825717935.db2.gz SWJHWYHVMYTXFY-NWDGAFQWSA-N 1 3 264.373 -0.613 20 0 CBADHO F[C@H]1CCN(C2CN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246825089 825718078 /nfs/dbraw/zinc/71/80/78/825718078.db2.gz UBOLOGSZBWKGOY-RYUDHWBXSA-N 1 3 268.380 -0.192 20 0 CBADHO CC[NH+]1CCC(N2CCNC[C@H]2C(=O)OC)CC1 ZINC001246858034 825722312 /nfs/dbraw/zinc/72/23/12/825722312.db2.gz ZHVBHLZKXJLQBL-LBPRGKRZSA-N 1 3 255.362 -0.083 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246856939 825722599 /nfs/dbraw/zinc/72/25/99/825722599.db2.gz JVVDFIOFNRCNIX-USZNOCQGSA-N 1 3 253.346 -0.284 20 0 CBADHO c1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246865266 825724609 /nfs/dbraw/zinc/72/46/09/825724609.db2.gz SPSJIFSZRRHUQQ-ZDUSSCGKSA-N 1 3 288.399 -0.307 20 0 CBADHO CCOC(=O)[C@@H]1CC[C@@H](N(C)CCN2CC[NH2+]CC2)CN1 ZINC001246869924 825725478 /nfs/dbraw/zinc/72/54/78/825725478.db2.gz JDMKKJYLYAFRPR-KGLIPLIRSA-N 1 3 298.431 -0.493 20 0 CBADHO COC[C@H]1COCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246914462 825730213 /nfs/dbraw/zinc/73/02/13/825730213.db2.gz LIPHPUPCGDDOSB-NEPJUHHUSA-N 1 3 255.362 -0.572 20 0 CBADHO FC(F)(F)[C@H]1CNCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246985719 825739314 /nfs/dbraw/zinc/73/93/14/825739314.db2.gz BVESJHVBAGNXOC-NXEZZACHSA-N 1 3 278.322 -0.084 20 0 CBADHO O[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C1 ZINC001248738905 825746708 /nfs/dbraw/zinc/74/67/08/825746708.db2.gz APERQHGKALZNNK-AWEZNQCLSA-N 1 3 287.323 -0.042 20 0 CBADHO CN(C)C[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)C)CCO1 ZINC001253390423 825911677 /nfs/dbraw/zinc/91/16/77/825911677.db2.gz SSPGRRFMFAWWHW-CHWSQXEVSA-N 1 3 273.421 -0.002 20 0 CBADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@H]1CCC(=O)NC1 ZINC001253405365 825913422 /nfs/dbraw/zinc/91/34/22/825913422.db2.gz XLHWAGAPRIPLRI-QWRGUYRKSA-N 1 3 257.378 -0.149 20 0 CBADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001253405365 825913429 /nfs/dbraw/zinc/91/34/29/825913429.db2.gz XLHWAGAPRIPLRI-QWRGUYRKSA-N 1 3 257.378 -0.149 20 0 CBADHO OCCN(CCO)CCC[NH2+]C1CCN(C2CC2)CC1 ZINC001256066466 826001415 /nfs/dbraw/zinc/00/14/15/826001415.db2.gz DYZLSVSCNNGPSM-UHFFFAOYSA-N 1 3 285.432 -0.121 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC001261460258 826516894 /nfs/dbraw/zinc/51/68/94/826516894.db2.gz XQVPVXUKRCUYNO-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO CNC(=O)CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC001261642565 826552728 /nfs/dbraw/zinc/55/27/28/826552728.db2.gz NCMKCMRACGXTIK-LBPRGKRZSA-N 1 3 255.362 -0.347 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1CC12CC(C1)C[NH2+]2 ZINC001261903756 826606266 /nfs/dbraw/zinc/60/62/66/826606266.db2.gz JRZPADFVMQZQMZ-AKJDGMEZSA-N 1 3 253.346 -0.425 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)[C@H](N)CCOC)CC1 ZINC001262035182 826626864 /nfs/dbraw/zinc/62/68/64/826626864.db2.gz BAIHXQJDICFXRT-CYBMUJFWSA-N 1 3 287.404 -0.033 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001262066819 826630337 /nfs/dbraw/zinc/63/03/37/826630337.db2.gz LMIVIPXLXWZHFA-AVGNSLFASA-N 1 3 296.415 -0.312 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073468 826632412 /nfs/dbraw/zinc/63/24/12/826632412.db2.gz SIXDERXRTGXFGT-TUAOUCFPSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CNC2)C1 ZINC001262196155 826658773 /nfs/dbraw/zinc/65/87/73/826658773.db2.gz ZOHLMLFKGRUKJY-SNVBAGLBSA-N 1 3 261.391 -0.391 20 0 CBADHO CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CNC2)C1 ZINC001262196155 826658783 /nfs/dbraw/zinc/65/87/83/826658783.db2.gz ZOHLMLFKGRUKJY-SNVBAGLBSA-N 1 3 261.391 -0.391 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001262583876 826712857 /nfs/dbraw/zinc/71/28/57/826712857.db2.gz LBCVVZJRHUIZOQ-KGLIPLIRSA-N 1 3 296.415 -0.021 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC001262586912 826713495 /nfs/dbraw/zinc/71/34/95/826713495.db2.gz OIWGMMRIPPMYCC-UWVGGRQHSA-N 1 3 256.350 -0.728 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001262600768 826717242 /nfs/dbraw/zinc/71/72/42/826717242.db2.gz LJKIDYLZEZSGQY-NHCYSSNCSA-N 1 3 256.350 -0.911 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC001263103178 826738166 /nfs/dbraw/zinc/73/81/66/826738166.db2.gz RJHSPWYTUAECSI-YNEHKIRRSA-N 1 3 268.405 -0.419 20 0 CBADHO CN1CCN(c2ccncc2NC(=O)CNCC[NH3+])CC1 ZINC001263103908 826738408 /nfs/dbraw/zinc/73/84/08/826738408.db2.gz PXJVCADLNLLLQE-UHFFFAOYSA-N 1 3 292.387 -0.680 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001263107800 826739780 /nfs/dbraw/zinc/73/97/80/826739780.db2.gz GKFOYIGVIZBIHP-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001263107802 826739937 /nfs/dbraw/zinc/73/99/37/826739937.db2.gz GKFOYIGVIZBIHP-VXGBXAGGSA-N 1 3 254.378 -0.380 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001263156356 826745477 /nfs/dbraw/zinc/74/54/77/826745477.db2.gz UJTBEAFVKCEWKG-KWBADKCTSA-N 1 3 251.330 -0.767 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001263203045 826752798 /nfs/dbraw/zinc/75/27/98/826752798.db2.gz RQVRKWORDQOWAW-OPRDCNLKSA-N 1 3 257.334 -0.524 20 0 CBADHO CCCN(C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC001263191840 826753332 /nfs/dbraw/zinc/75/33/32/826753332.db2.gz BSVGGYBOAAMCHG-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001263239928 826757627 /nfs/dbraw/zinc/75/76/27/826757627.db2.gz YTLQJRCMRDELQV-RKDXNWHRSA-N 1 3 257.334 -0.619 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N(C)C ZINC001265818602 826924148 /nfs/dbraw/zinc/92/41/48/826924148.db2.gz NVLCCWZDLAHQEP-JTQLQIEISA-N 1 3 258.366 -0.879 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001265851624 826929376 /nfs/dbraw/zinc/92/93/76/826929376.db2.gz QCHMKRIXBLNSLG-VHSXEESVSA-N 1 3 268.361 -0.950 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265852566 826930614 /nfs/dbraw/zinc/93/06/14/826930614.db2.gz FVYHGDLXTFBUIH-ZJUUUORDSA-N 1 3 258.366 -0.704 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702221 827055047 /nfs/dbraw/zinc/05/50/47/827055047.db2.gz UDYLVXLCDOKNAD-ZDUSSCGKSA-N 1 3 296.415 -0.536 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H](C)C(N)=O ZINC001266968007 827099807 /nfs/dbraw/zinc/09/98/07/827099807.db2.gz RQZYBJJEARQTGG-NXEZZACHSA-N 1 3 258.366 -0.704 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001267022377 827108671 /nfs/dbraw/zinc/10/86/71/827108671.db2.gz HBCDINRWYRVOFY-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001267355715 827156213 /nfs/dbraw/zinc/15/62/13/827156213.db2.gz ZCLUQMMPYBMXHH-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267689597 827199627 /nfs/dbraw/zinc/19/96/27/827199627.db2.gz MZLMHYDGGUDWIK-LLVKDONJSA-N 1 3 269.389 -0.243 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001268100293 827257415 /nfs/dbraw/zinc/25/74/15/827257415.db2.gz VFDHYQQOIOGNHF-SNVBAGLBSA-N 1 3 258.366 -0.752 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001268100292 827257373 /nfs/dbraw/zinc/25/73/73/827257373.db2.gz VFDHYQQOIOGNHF-JTQLQIEISA-N 1 3 258.366 -0.752 20 0 CBADHO CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCCN1C ZINC001268438929 827327369 /nfs/dbraw/zinc/32/73/69/827327369.db2.gz LHGRLNSEXFRBDJ-CYBMUJFWSA-N 1 3 294.403 -0.190 20 0 CBADHO CN(CC(=O)NC/C=C\C[NH2+]CCO)C1CCC1 ZINC001268549476 827363491 /nfs/dbraw/zinc/36/34/91/827363491.db2.gz GUVZDHRLNVSUIF-IHWYPQMZSA-N 1 3 255.362 -0.275 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001268562471 827364931 /nfs/dbraw/zinc/36/49/31/827364931.db2.gz HMTPUKMYPZSXJM-ZZKXABKFSA-N 1 3 294.399 -0.249 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580865 827370459 /nfs/dbraw/zinc/37/04/59/827370459.db2.gz DDTJAZWGSKZROH-FJOGCWAESA-N 1 3 296.415 -0.275 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595065 827374781 /nfs/dbraw/zinc/37/47/81/827374781.db2.gz GTLZPMVIKTYNKS-MVZIDQBPSA-N 1 3 296.415 -0.146 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595067 827376060 /nfs/dbraw/zinc/37/60/60/827376060.db2.gz GTLZPMVIKTYNKS-VSQXVHSFSA-N 1 3 296.415 -0.146 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001268651784 827392062 /nfs/dbraw/zinc/39/20/62/827392062.db2.gz YOFWWMXCEXODDG-VXGBXAGGSA-N 1 3 282.392 -0.287 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001268847236 827430509 /nfs/dbraw/zinc/43/05/09/827430509.db2.gz FZWGCLAGFOEJNE-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCO ZINC001270418601 827565281 /nfs/dbraw/zinc/56/52/81/827565281.db2.gz BFCLKHAWEWECLU-NSHDSACASA-N 1 3 257.378 -0.195 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001271090648 827621679 /nfs/dbraw/zinc/62/16/79/827621679.db2.gz BIZXGRAVKCNKDL-VHSXEESVSA-N 1 3 258.366 -0.752 20 0 CBADHO CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CCCN1C ZINC001271977539 827745188 /nfs/dbraw/zinc/74/51/88/827745188.db2.gz PRXDTYHLUYHYKX-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CCCN1C ZINC001271977539 827745194 /nfs/dbraw/zinc/74/51/94/827745194.db2.gz PRXDTYHLUYHYKX-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO CC(C)[NH2+]CCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001272265356 827774796 /nfs/dbraw/zinc/77/47/96/827774796.db2.gz NJABFNNLFGJTEP-UHFFFAOYSA-N 1 3 254.334 -0.229 20 0 CBADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001272828530 827841682 /nfs/dbraw/zinc/84/16/82/827841682.db2.gz AZIBQCFFZDRQQS-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001273342670 827890700 /nfs/dbraw/zinc/89/07/00/827890700.db2.gz OWRHEJCBDGVYTP-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001273588635 827913792 /nfs/dbraw/zinc/91/37/92/827913792.db2.gz RTKQUMZCLZXFOG-UHFFFAOYSA-N 1 3 270.377 -0.748 20 0 CBADHO CCN(CCNCC(=O)NC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273716435 827922411 /nfs/dbraw/zinc/92/24/11/827922411.db2.gz LEDNPBRPQJSIGI-CYBMUJFWSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CN[C@@H]2CCNC2=O)C1 ZINC001274367974 827985675 /nfs/dbraw/zinc/98/56/75/827985675.db2.gz IAGTZOJRXUQBDW-XCUNLHGCSA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CN[C@@H]2CCNC2=O)C1 ZINC001274367974 827985678 /nfs/dbraw/zinc/98/56/78/827985678.db2.gz IAGTZOJRXUQBDW-XCUNLHGCSA-N 1 3 294.399 -0.521 20 0 CBADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274643341 828015956 /nfs/dbraw/zinc/01/59/56/828015956.db2.gz OIKWDQQBRJAEJO-DZGCQCFKSA-N 1 3 299.415 -0.520 20 0 CBADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274643341 828015965 /nfs/dbraw/zinc/01/59/65/828015965.db2.gz OIKWDQQBRJAEJO-DZGCQCFKSA-N 1 3 299.415 -0.520 20 0 CBADHO Cn1cncc1N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274758672 828028020 /nfs/dbraw/zinc/02/80/20/828028020.db2.gz MKZHFBQJUMDEOF-UHFFFAOYSA-N 1 3 293.371 -0.601 20 0 CBADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001274981056 828047167 /nfs/dbraw/zinc/04/71/67/828047167.db2.gz XNALXXDHWMTOBA-RYUDHWBXSA-N 1 3 267.373 -0.225 20 0 CBADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001274981056 828047179 /nfs/dbraw/zinc/04/71/79/828047179.db2.gz XNALXXDHWMTOBA-RYUDHWBXSA-N 1 3 267.373 -0.225 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275331558 828078903 /nfs/dbraw/zinc/07/89/03/828078903.db2.gz MLTPURWLOZYGMZ-UHFFFAOYSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCOCCO ZINC001276002256 828129661 /nfs/dbraw/zinc/12/96/61/828129661.db2.gz JSINLDVKZHCKTK-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCOCCO ZINC001276002256 828129664 /nfs/dbraw/zinc/12/96/64/828129664.db2.gz JSINLDVKZHCKTK-QWHCGFSZSA-N 1 3 287.404 -0.617 20 0 CBADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001276339647 828142584 /nfs/dbraw/zinc/14/25/84/828142584.db2.gz IQVISLRLUMFSBL-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](CCC[NH2+]CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001277299121 828182004 /nfs/dbraw/zinc/18/20/04/828182004.db2.gz MJNACKCGTNLZPG-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH+](C)CCN1CCO[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001277544551 828193620 /nfs/dbraw/zinc/19/36/20/828193620.db2.gz KGCUCRLWQAGYOB-CABCVRRESA-N 1 3 293.415 -0.170 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001277994958 828227662 /nfs/dbraw/zinc/22/76/62/828227662.db2.gz LSZVDUFKUWCENV-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CC[C@H](C(N)=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278032554 828233579 /nfs/dbraw/zinc/23/35/79/828233579.db2.gz SGAKMAWHEBVQRU-YNEHKIRRSA-N 1 3 268.405 -0.182 20 0 CBADHO CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001278804310 828291427 /nfs/dbraw/zinc/29/14/27/828291427.db2.gz PZCBNIMAYAXBNZ-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO Cc1cc(CNC[C@H](O)C[NH+]2CCN(C)CC2)no1 ZINC001348957666 890736764 /nfs/dbraw/zinc/73/67/64/890736764.db2.gz LBPZEJCRYUOTFR-ZDUSSCGKSA-N 1 3 268.361 -0.319 20 0 CBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]1 ZINC001350405074 890978565 /nfs/dbraw/zinc/97/85/65/890978565.db2.gz JBMRLHUSWHNFGY-VXGBXAGGSA-N 1 3 253.346 -0.282 20 0 CBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201678839 884746526 /nfs/dbraw/zinc/74/65/26/884746526.db2.gz QJMFAWKXNFCWIV-CYBMUJFWSA-N 1 3 287.404 -0.472 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)COCC[NH3+] ZINC001326324007 884987881 /nfs/dbraw/zinc/98/78/81/884987881.db2.gz SQIBNAIADJDUIE-UHFFFAOYSA-N 1 3 272.393 -0.942 20 0 CBADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCN(C)CC2)CCN1C ZINC001326599744 885079814 /nfs/dbraw/zinc/07/98/14/885079814.db2.gz PUCPHEPOUGCBGZ-RBSFLKMASA-N 1 3 284.448 -0.333 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001326886921 885181605 /nfs/dbraw/zinc/18/16/05/885181605.db2.gz VWUIYZMIJGELIL-GMTAPVOTSA-N 1 3 262.375 -0.605 20 0 CBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001327064020 885240366 /nfs/dbraw/zinc/24/03/66/885240366.db2.gz LIMONUBBQPQTHM-GFCCVEGCSA-N 1 3 273.377 -0.863 20 0 CBADHO CN1CCN(CCCCNC(=O)COCC[NH3+])CC1 ZINC001328576978 885733455 /nfs/dbraw/zinc/73/34/55/885733455.db2.gz HYTINVSTAKJANZ-UHFFFAOYSA-N 1 3 272.393 -0.895 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCCC1CC[NH2+]CC1 ZINC001331053901 886660364 /nfs/dbraw/zinc/66/03/64/886660364.db2.gz UOXOFPZLRQOLMB-UHFFFAOYSA-N 1 3 265.361 -0.002 20 0 CBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001331321951 886777706 /nfs/dbraw/zinc/77/77/06/886777706.db2.gz GBAGWOKKJSZPGN-BJDJZHNGSA-N 1 3 255.362 -0.064 20 0 CBADHO COCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCN1C(C)C ZINC001331712372 886927387 /nfs/dbraw/zinc/92/73/87/886927387.db2.gz OBTQBULNFYFLGR-QWHCGFSZSA-N 1 3 287.404 -0.428 20 0 CBADHO [NH3+]C[C@@H]1CCN(C[C@@H](O)COC2CCOCC2)C1 ZINC001332365431 887232452 /nfs/dbraw/zinc/23/24/52/887232452.db2.gz SLOQNPNSKGBWLM-NWDGAFQWSA-N 1 3 258.362 -0.177 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC001333321249 887594750 /nfs/dbraw/zinc/59/47/50/887594750.db2.gz YXRVZOFOCJAHIU-JTQLQIEISA-N 1 3 251.334 -0.297 20 0 CBADHO C[C@H](NC(=O)c1c(CN)cnn1C)[C@@H]1CCC[NH2+]C1 ZINC001336709109 888852257 /nfs/dbraw/zinc/85/22/57/888852257.db2.gz QVUBUQBXJHWUQN-VHSXEESVSA-N 1 3 265.361 -0.003 20 0 CBADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CN(C)CCN1C ZINC001336779113 888881053 /nfs/dbraw/zinc/88/10/53/888881053.db2.gz GSVPRZISMCISTH-SOUVJXGZSA-N 1 3 284.448 -0.333 20 0 CBADHO CCOCC[C@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC001336786044 888881154 /nfs/dbraw/zinc/88/11/54/888881154.db2.gz YLGWEMGHLUYRCU-LBPRGKRZSA-N 1 3 260.378 -0.180 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001340676235 889465868 /nfs/dbraw/zinc/46/58/68/889465868.db2.gz JBSLCOQDETVYSF-GIPNMCIBSA-N 1 3 269.345 -0.393 20 0 CBADHO C[C@]1(C(=O)N2CC[C@H](N3CCCC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340843657 889495705 /nfs/dbraw/zinc/49/57/05/889495705.db2.gz JULZGRUGOSUEJX-OUCADQQQSA-N 1 3 267.373 -0.204 20 0 CBADHO CN(CCCCCC[NH3+])C(=O)[C@H]1CNCCN1C ZINC001340954934 889523543 /nfs/dbraw/zinc/52/35/43/889523543.db2.gz UDAYPDQQVLWWSW-GFCCVEGCSA-N 1 3 256.394 -0.133 20 0 CBADHO COCCN(C)CCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341586571 889629596 /nfs/dbraw/zinc/62/95/96/889629596.db2.gz XYBIXNLBYUSTEI-YPMHNXCESA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CCN1 ZINC001341763740 889660323 /nfs/dbraw/zinc/66/03/23/889660323.db2.gz FXKLUPZNDMSMDW-VXGBXAGGSA-N 1 3 254.378 -0.654 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001342020998 889696649 /nfs/dbraw/zinc/69/66/49/889696649.db2.gz LYPKEHUCYLSBCJ-GRYCIOLGSA-N 1 3 255.362 -0.361 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342188719 889729570 /nfs/dbraw/zinc/72/95/70/889729570.db2.gz OMSPJCQLMSHVRY-LOWVWBTDSA-N 1 3 253.346 -0.234 20 0 CBADHO CN(C)Cc1cccc(C(=O)NC[C@@H](O)C[NH3+])c1 ZINC001342235921 889736600 /nfs/dbraw/zinc/73/66/00/889736600.db2.gz ORHXFOBSPAUIKS-LBPRGKRZSA-N 1 3 251.330 -0.202 20 0 CBADHO CC[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001443984230 912319308 /nfs/dbraw/zinc/31/93/08/912319308.db2.gz SCHVMTFPEIDVKX-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001443985860 912324130 /nfs/dbraw/zinc/32/41/30/912324130.db2.gz OFWBWTKWMHMRPD-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001443985850 912325369 /nfs/dbraw/zinc/32/53/69/912325369.db2.gz OFWBWTKWMHMRPD-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCN1C ZINC001342571783 889795907 /nfs/dbraw/zinc/79/59/07/889795907.db2.gz YMVUHMGICRPZBA-IJLUTSLNSA-N 1 3 282.388 -0.608 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343031330 889859784 /nfs/dbraw/zinc/85/97/84/889859784.db2.gz GFMQPCGMVGPJDF-YPMHNXCESA-N 1 3 252.362 -0.756 20 0 CBADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001444249321 912398184 /nfs/dbraw/zinc/39/81/84/912398184.db2.gz ZNSIKIUZHNTMTD-IJLUTSLNSA-N 1 3 282.388 -0.465 20 0 CBADHO CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCN1 ZINC001343528381 889928051 /nfs/dbraw/zinc/92/80/51/889928051.db2.gz ZOWGXRKJLFFKDE-RISCZKNCSA-N 1 3 267.373 -0.177 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001444313127 912422035 /nfs/dbraw/zinc/42/20/35/912422035.db2.gz YDTIPZWMZKSQNH-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444601292 912478368 /nfs/dbraw/zinc/47/83/68/912478368.db2.gz XENMRCMUSCPATB-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444601292 912478381 /nfs/dbraw/zinc/47/83/81/912478381.db2.gz XENMRCMUSCPATB-GMTAPVOTSA-N 1 3 270.377 -0.752 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444629370 912481640 /nfs/dbraw/zinc/48/16/40/912481640.db2.gz JAELENDJZCPOEZ-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001444717478 912496815 /nfs/dbraw/zinc/49/68/15/912496815.db2.gz HRENLEFYXHKFND-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO c1ncn([C@H]2CCN(CCN3CC[NH2+]CC3)C2)n1 ZINC001346028429 890200152 /nfs/dbraw/zinc/20/01/52/890200152.db2.gz LZEJTHWYYJTBHU-LBPRGKRZSA-N 1 3 250.350 -0.570 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001445271486 912622500 /nfs/dbraw/zinc/62/25/00/912622500.db2.gz RIINZVWCCRGKDW-CQSZACIVSA-N 1 3 294.399 -0.012 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001445324138 912633942 /nfs/dbraw/zinc/63/39/42/912633942.db2.gz BCLDSQMJVPJDRR-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445394933 912656783 /nfs/dbraw/zinc/65/67/83/912656783.db2.gz ODQVDEOHXXELCU-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001445640897 912720457 /nfs/dbraw/zinc/72/04/57/912720457.db2.gz AMYVQRFRKFVXHX-GXSJLCMTSA-N 1 3 284.360 -0.638 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001188158866 884720033 /nfs/dbraw/zinc/72/00/33/884720033.db2.gz XNQYRHKVJBTUNO-CHWSQXEVSA-N 1 3 296.415 -0.252 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188158395 884721638 /nfs/dbraw/zinc/72/16/38/884721638.db2.gz NEFNVQMDTKDJEP-CYBMUJFWSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001210811950 884765216 /nfs/dbraw/zinc/76/52/16/884765216.db2.gz RYRRIJYNYISDIP-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1CCCC[NH2+]1 ZINC001211354849 884772776 /nfs/dbraw/zinc/77/27/76/884772776.db2.gz RJURMPWDFMKNDQ-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC2(CC[NH2+]2)CC1 ZINC001326144783 884918335 /nfs/dbraw/zinc/91/83/35/884918335.db2.gz NZMCRJBITWWCCZ-LLVKDONJSA-N 1 3 253.346 -0.281 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001446420913 912883076 /nfs/dbraw/zinc/88/30/76/912883076.db2.gz PVVZWGVEIPNCES-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO [NH3+][C@H](C(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC001326292808 884973687 /nfs/dbraw/zinc/97/36/87/884973687.db2.gz LBPMGWOVISNOLV-RYUDHWBXSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCN(C)CC2)CCN1C ZINC001326599741 885081061 /nfs/dbraw/zinc/08/10/61/885081061.db2.gz PUCPHEPOUGCBGZ-ILXRZTDVSA-N 1 3 284.448 -0.333 20 0 CBADHO COCCNCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326816182 885162966 /nfs/dbraw/zinc/16/29/66/885162966.db2.gz FLOAKKWKKLMYEW-UHFFFAOYSA-N 1 3 273.377 -0.815 20 0 CBADHO C[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001326936930 885197003 /nfs/dbraw/zinc/19/70/03/885197003.db2.gz JKUPMWHOMNBXTN-PSASIEDQSA-N 1 3 252.322 -0.753 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001446788187 912953186 /nfs/dbraw/zinc/95/31/86/912953186.db2.gz BCERVYVKUKUPNS-JSGCOSHPSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001446788187 912953198 /nfs/dbraw/zinc/95/31/98/912953198.db2.gz BCERVYVKUKUPNS-JSGCOSHPSA-N 1 3 287.404 -0.738 20 0 CBADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001328331799 885638645 /nfs/dbraw/zinc/63/86/45/885638645.db2.gz FRQBJSQYRBICFB-UWVGGRQHSA-N 1 3 261.391 -0.439 20 0 CBADHO C[C@@H]1C[C@H](C)N(CC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC001329498718 886098097 /nfs/dbraw/zinc/09/80/97/886098097.db2.gz HYQOTOMRIHKKEM-AGIUHOORSA-N 1 3 268.405 -0.277 20 0 CBADHO C[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H](C)[NH3+] ZINC001329936093 886288598 /nfs/dbraw/zinc/28/85/98/886288598.db2.gz CIBIWBGLBSTSIO-RQJHMYQMSA-N 1 3 253.306 -0.760 20 0 CBADHO C[C@H](O)CN1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049224 886338080 /nfs/dbraw/zinc/33/80/80/886338080.db2.gz UGUDLKUKJSEYQL-QWRGUYRKSA-N 1 3 257.378 -0.245 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869776 886606462 /nfs/dbraw/zinc/60/64/62/886606462.db2.gz HEIGPNJNRGPUJM-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001331052783 886659954 /nfs/dbraw/zinc/65/99/54/886659954.db2.gz JKCKNTKQSSEUHQ-VHSXEESVSA-N 1 3 253.346 -0.439 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001331231036 886741535 /nfs/dbraw/zinc/74/15/35/886741535.db2.gz AMIUGZIBRQVPHH-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CO[C@@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001331337025 886780862 /nfs/dbraw/zinc/78/08/62/886780862.db2.gz VNNGKLGNIHJJBI-STQMWFEESA-N 1 3 263.341 -0.209 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC001331490663 886821386 /nfs/dbraw/zinc/82/13/86/886821386.db2.gz ZQSAWGRIPSBWGT-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+](C)C[C@]1(O)CCCN(C[C@@H]2CNC(=O)C2)C1 ZINC001331791248 886986382 /nfs/dbraw/zinc/98/63/82/886986382.db2.gz MIUCLANEVZUIJN-WCQYABFASA-N 1 3 255.362 -0.489 20 0 CBADHO [NH3+]C1(CN[C@@H](C2CC2)[C@H]2CNCCO2)CCOCC1 ZINC001331852830 887016759 /nfs/dbraw/zinc/01/67/59/887016759.db2.gz YKQWRNXVWAGSCP-OLZOCXBDSA-N 1 3 269.389 -0.149 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001331969351 887068315 /nfs/dbraw/zinc/06/83/15/887068315.db2.gz OIJBIOSGYFZQIE-BQBZGAKWSA-N 1 3 257.256 -0.254 20 0 CBADHO C[C@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447736254 913112953 /nfs/dbraw/zinc/11/29/53/913112953.db2.gz BFLRTSGOILNIGF-QWHCGFSZSA-N 1 3 299.415 -0.738 20 0 CBADHO C[C@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001447736254 913112955 /nfs/dbraw/zinc/11/29/55/913112955.db2.gz BFLRTSGOILNIGF-QWHCGFSZSA-N 1 3 299.415 -0.738 20 0 CBADHO COCCNCC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001332282745 887183926 /nfs/dbraw/zinc/18/39/26/887183926.db2.gz VFODJXPBWPSIRK-UONOGXRCSA-N 1 3 299.415 -0.033 20 0 CBADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)N(C)C ZINC001447796190 913126940 /nfs/dbraw/zinc/12/69/40/913126940.db2.gz GAAJLCACZNGDIY-XIVSLSHWSA-N 1 3 284.404 -0.458 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001332724959 887418608 /nfs/dbraw/zinc/41/86/08/887418608.db2.gz QKMOWDNLKMZTKA-KBPBESRZSA-N 1 3 299.463 -0.592 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860941 913149409 /nfs/dbraw/zinc/14/94/09/913149409.db2.gz BXYFXGMZJHOKQQ-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(CN)cnn1C ZINC001333352662 887605887 /nfs/dbraw/zinc/60/58/87/887605887.db2.gz LRSRWVAEWYRRRK-VHSXEESVSA-N 1 3 251.334 -0.251 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333449617 887644113 /nfs/dbraw/zinc/64/41/13/887644113.db2.gz YTFVCUAANFSLSJ-TXEJJXNPSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531572 887676721 /nfs/dbraw/zinc/67/67/21/887676721.db2.gz BHYSDAMCZDTTJO-RQJHMYQMSA-N 1 3 268.321 -0.824 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333625134 887723029 /nfs/dbraw/zinc/72/30/29/887723029.db2.gz IUFREGLRPGZOCN-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N1CCCCC1 ZINC001333882184 887798201 /nfs/dbraw/zinc/79/82/01/887798201.db2.gz VZSQDDKJZKDARD-UPJWGTAASA-N 1 3 296.415 -0.075 20 0 CBADHO c1ncn([C@@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC001335190601 888437385 /nfs/dbraw/zinc/43/73/85/888437385.db2.gz TUPDHLNFQQMFDY-VXGBXAGGSA-N 1 3 263.345 -0.097 20 0 CBADHO CC(C)(C)S(=O)(=O)CCC[NH2+]C(CN)CN ZINC001335190238 888437823 /nfs/dbraw/zinc/43/78/23/888437823.db2.gz LDOZPJIZJKHNIB-UHFFFAOYSA-N 1 3 251.396 -0.535 20 0 CBADHO CC(C)(C)S(=O)(=O)CCCNC(CN)C[NH3+] ZINC001335190238 888437831 /nfs/dbraw/zinc/43/78/31/888437831.db2.gz LDOZPJIZJKHNIB-UHFFFAOYSA-N 1 3 251.396 -0.535 20 0 CBADHO CCOC[C@H](O)C[NH2+]CCN1CCN(CC)CC1 ZINC001335351514 888510886 /nfs/dbraw/zinc/51/08/86/888510886.db2.gz OQMOLADIPLFTBT-CYBMUJFWSA-N 1 3 259.394 -0.389 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001335556452 888564859 /nfs/dbraw/zinc/56/48/59/888564859.db2.gz WLKQKIQLIFKCKU-WYUUTHIRSA-N 1 3 252.362 -0.012 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335841232 888641530 /nfs/dbraw/zinc/64/15/30/888641530.db2.gz BHZAJGIZHUDJKL-FPYNETTCSA-N 1 3 265.357 -0.426 20 0 CBADHO [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001336131789 888699884 /nfs/dbraw/zinc/69/98/84/888699884.db2.gz BNOSVUARUZBZDG-FEAJGASRSA-N 1 3 282.388 -0.258 20 0 CBADHO [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001336131786 888700058 /nfs/dbraw/zinc/70/00/58/888700058.db2.gz BNOSVUARUZBZDG-DKZVVXNFSA-N 1 3 282.388 -0.258 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336252529 888729345 /nfs/dbraw/zinc/72/93/45/888729345.db2.gz PBEJCDVIZUBVRC-XZUYRWCXSA-N 1 3 268.361 -0.755 20 0 CBADHO C[C@H](NC(=O)c1c(CN)cnn1C)[C@H]1CCC[NH2+]C1 ZINC001336709108 888851485 /nfs/dbraw/zinc/85/14/85/888851485.db2.gz QVUBUQBXJHWUQN-UWVGGRQHSA-N 1 3 265.361 -0.003 20 0 CBADHO C[C@H](O)CNCC(=O)NCC[NH+]1CCCCCC1 ZINC001336794859 888882006 /nfs/dbraw/zinc/88/20/06/888882006.db2.gz OIWYYULZVITNRD-LBPRGKRZSA-N 1 3 257.378 -0.051 20 0 CBADHO Cn1ncnc1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC001336833579 888895172 /nfs/dbraw/zinc/89/51/72/888895172.db2.gz JGMHFGRETALSSG-LBPRGKRZSA-N 1 3 267.377 -0.206 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001336977116 888940933 /nfs/dbraw/zinc/94/09/33/888940933.db2.gz UGYINMUWWTVLOL-NSHDSACASA-N 1 3 255.362 -0.048 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337485207 889019799 /nfs/dbraw/zinc/01/97/99/889019799.db2.gz KLHGPQHITOYJQG-TUAOUCFPSA-N 1 3 282.388 -0.560 20 0 CBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001338518334 889170177 /nfs/dbraw/zinc/17/01/77/889170177.db2.gz ALBWGHXTLKSANK-GHMZBOCLSA-N 1 3 268.361 -0.360 20 0 CBADHO CN1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340133357 889392944 /nfs/dbraw/zinc/39/29/44/889392944.db2.gz KGPQJGXAVSKBOE-ZDUSSCGKSA-N 1 3 255.362 -0.345 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340182709 889404005 /nfs/dbraw/zinc/40/40/05/889404005.db2.gz LCTAVSPMRJOGKC-SFYZADRCSA-N 1 3 268.283 -0.714 20 0 CBADHO O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1COC2(CNC2)C1 ZINC001340613596 889455152 /nfs/dbraw/zinc/45/51/52/889455152.db2.gz FRTJKEKOAFLELE-QWKFWESOSA-N 1 3 265.357 -0.234 20 0 CBADHO C[NH2+]CCOCCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001340832027 889492985 /nfs/dbraw/zinc/49/29/85/889492985.db2.gz KOYBACVIHFJTHQ-JTQLQIEISA-N 1 3 281.360 -0.358 20 0 CBADHO [NH3+]CCc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC001341096074 889542094 /nfs/dbraw/zinc/54/20/94/889542094.db2.gz FFDOTZXEWNJYDZ-ZDUSSCGKSA-N 1 3 263.341 -0.094 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001341244634 889566330 /nfs/dbraw/zinc/56/63/30/889566330.db2.gz QSJADORQFAZTHQ-NXEZZACHSA-N 1 3 257.334 -0.536 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CN1CC[NH2+]CC1 ZINC001341143270 889547426 /nfs/dbraw/zinc/54/74/26/889547426.db2.gz DXVNJBLPKATUHL-SDDRHHMPSA-N 1 3 254.378 -0.511 20 0 CBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C ZINC001448731258 913363446 /nfs/dbraw/zinc/36/34/46/913363446.db2.gz IUHJCVIQIMIUNE-GFCCVEGCSA-N 1 3 298.431 -0.147 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001341547329 889620304 /nfs/dbraw/zinc/62/03/04/889620304.db2.gz MQAZHKAUTBEWLN-QJPTWQEYSA-N 1 3 252.362 -0.757 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001341553932 889622810 /nfs/dbraw/zinc/62/28/10/889622810.db2.gz RILLCKIIXPYQTM-VWYCJHECSA-N 1 3 252.362 -0.724 20 0 CBADHO COCCN(C)CCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001341586272 889629303 /nfs/dbraw/zinc/62/93/03/889629303.db2.gz SREOEKAWPBMBHT-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1=O ZINC001341587025 889629464 /nfs/dbraw/zinc/62/94/64/889629464.db2.gz SQDAZVSFWLDPCW-AAEUAGOBSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001341626225 889634302 /nfs/dbraw/zinc/63/43/02/889634302.db2.gz DQTHPEKKQNQTBJ-XZUYRWCXSA-N 1 3 269.389 -0.056 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001341626227 889635270 /nfs/dbraw/zinc/63/52/70/889635270.db2.gz DQTHPEKKQNQTBJ-ZPFDUUQYSA-N 1 3 269.389 -0.056 20 0 CBADHO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC001341672910 889645395 /nfs/dbraw/zinc/64/53/95/889645395.db2.gz PMVIMWBKEPQBKW-SMDDNHRTSA-N 1 3 267.373 -0.156 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001341777543 889659897 /nfs/dbraw/zinc/65/98/97/889659897.db2.gz JPEUBCZEJIQZDT-GMTAPVOTSA-N 1 3 269.345 -0.523 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001341777544 889660620 /nfs/dbraw/zinc/66/06/20/889660620.db2.gz JPEUBCZEJIQZDT-HBNTYKKESA-N 1 3 269.345 -0.523 20 0 CBADHO CC1(C)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CCN1 ZINC001341794648 889663809 /nfs/dbraw/zinc/66/38/09/889663809.db2.gz FSWDPSOTGXCPSQ-CYBMUJFWSA-N 1 3 255.362 -0.299 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341848611 889674503 /nfs/dbraw/zinc/67/45/03/889674503.db2.gz RHKTTWAGLLWLSQ-NWDGAFQWSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)CC[C@@H]1C[NH3+] ZINC001341878777 889678534 /nfs/dbraw/zinc/67/85/34/889678534.db2.gz QOVUTPXKDXHXSF-UTUOFQBUSA-N 1 3 254.378 -0.667 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001341924219 889683878 /nfs/dbraw/zinc/68/38/78/889683878.db2.gz RQEPUYAMZYUMHA-CYDGBPFRSA-N 1 3 267.373 -0.361 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341971367 889692724 /nfs/dbraw/zinc/69/27/24/889692724.db2.gz YBKBBAXAAPVOJR-OCCSQVGLSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC[NH2+]C1 ZINC001342125551 889715617 /nfs/dbraw/zinc/71/56/17/889715617.db2.gz KZNYASCWGAKELG-CMPLNLGQSA-N 1 3 253.346 -0.377 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3CNCCO3)[C@H]2C1 ZINC001342148611 889719397 /nfs/dbraw/zinc/71/93/97/889719397.db2.gz UKEJKXXZBWXNRN-CYDGBPFRSA-N 1 3 267.373 -0.179 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]3CNCCO3)[C@H]2C1 ZINC001342148611 889719410 /nfs/dbraw/zinc/71/94/10/889719410.db2.gz UKEJKXXZBWXNRN-CYDGBPFRSA-N 1 3 267.373 -0.179 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342216424 889733795 /nfs/dbraw/zinc/73/37/95/889733795.db2.gz WRXASCNLGAEHPG-UKKRHICBSA-N 1 3 251.330 -0.626 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001342302180 889749008 /nfs/dbraw/zinc/74/90/08/889749008.db2.gz QEGZSDPWGNVRBX-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@H]1C[NH2+]CCN1C ZINC001342628245 889803884 /nfs/dbraw/zinc/80/38/84/889803884.db2.gz GJTWACTXYVLMOQ-FIQHERPVSA-N 1 3 254.378 -0.513 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001342696032 889818198 /nfs/dbraw/zinc/81/81/98/889818198.db2.gz LFZABOOUMGOPJR-YNEHKIRRSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343235584 889879905 /nfs/dbraw/zinc/87/99/05/889879905.db2.gz UZLUFNZPMCRGJV-GVXVVHGQSA-N 1 3 253.346 -0.377 20 0 CBADHO [NH3+]CCN1CCC[C@H](C(=O)NCCN2CCCCC2)C1=O ZINC001343356816 889893378 /nfs/dbraw/zinc/89/33/78/889893378.db2.gz UVOOEMRQFWHTTO-CYBMUJFWSA-N 1 3 296.415 -0.214 20 0 CBADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)O)C1 ZINC001343407722 889902895 /nfs/dbraw/zinc/90/28/95/889902895.db2.gz KCECTJNMBDRMSG-WDEREUQCSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)O)C1 ZINC001343407722 889902906 /nfs/dbraw/zinc/90/29/06/889902906.db2.gz KCECTJNMBDRMSG-WDEREUQCSA-N 1 3 257.378 -0.067 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001343507264 889925631 /nfs/dbraw/zinc/92/56/31/889925631.db2.gz ILQGYXAVIFFLDX-QWRGUYRKSA-N 1 3 252.362 -0.852 20 0 CBADHO N[C@H]1CCCn2nc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc21 ZINC001343505879 889925760 /nfs/dbraw/zinc/92/57/60/889925760.db2.gz BKQSXLVETZCNBX-KIKITERTSA-N 1 3 261.329 -0.376 20 0 CBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001344012003 889990011 /nfs/dbraw/zinc/99/00/11/889990011.db2.gz SLSLYKSCFUECQJ-GKBWCTFZSA-N 1 3 265.357 -0.355 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001344830683 890069801 /nfs/dbraw/zinc/06/98/01/890069801.db2.gz NQUIGBYCEUHUNT-UHFFFAOYSA-N 1 3 270.377 -0.783 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CNC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001344875848 890077681 /nfs/dbraw/zinc/07/76/81/890077681.db2.gz BAOONUNFECWVGN-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CNC[C@@H]2CCCO2)CC[N@H+]1C ZINC001344875848 890077697 /nfs/dbraw/zinc/07/76/97/890077697.db2.gz BAOONUNFECWVGN-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)CCN1C ZINC001344875848 890077713 /nfs/dbraw/zinc/07/77/13/890077713.db2.gz BAOONUNFECWVGN-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC001344876492 890077883 /nfs/dbraw/zinc/07/78/83/890077883.db2.gz GERFNURHPZMPRT-BLFANLJRSA-N 1 3 253.346 -0.569 20 0 CBADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1[nH]nc2c1CNCC2 ZINC001345502918 890138553 /nfs/dbraw/zinc/13/85/53/890138553.db2.gz ZIRTWDDJJCVJQH-WHGOUJPWSA-N 1 3 261.329 -0.322 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345715922 890153897 /nfs/dbraw/zinc/15/38/97/890153897.db2.gz PJCXBZGWDCJICU-LOWVWBTDSA-N 1 3 252.362 -0.852 20 0 CBADHO C[N@H+](C[C@H](O)CNCC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298788 890260679 /nfs/dbraw/zinc/26/06/79/890260679.db2.gz HRXNNOYFQLJTCB-KGLIPLIRSA-N 1 3 272.389 -0.037 20 0 CBADHO C[N@@H+](C[C@H](O)CNCC[C@@]1(O)CCCOC1)C1CC1 ZINC001346298788 890260697 /nfs/dbraw/zinc/26/06/97/890260697.db2.gz HRXNNOYFQLJTCB-KGLIPLIRSA-N 1 3 272.389 -0.037 20 0 CBADHO NS(=O)(=O)CCCN1CCC(OCCC[NH3+])CC1 ZINC001349787478 890888447 /nfs/dbraw/zinc/88/84/47/890888447.db2.gz KGQRRFQHPDAULN-UHFFFAOYSA-N 1 3 279.406 -0.505 20 0 CBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001349816497 890898479 /nfs/dbraw/zinc/89/84/79/890898479.db2.gz OQAXEGPRDNEQLH-SNVBAGLBSA-N 1 3 253.346 -0.567 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350058658 890930464 /nfs/dbraw/zinc/93/04/64/890930464.db2.gz QHIFMISDZHQCQN-PHIMTYICSA-N 1 3 282.388 -0.608 20 0 CBADHO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001350224706 890949532 /nfs/dbraw/zinc/94/95/32/890949532.db2.gz XUBVQSXLAKDVDG-FIQHERPVSA-N 1 3 268.361 -0.816 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC[NH2+]C2CC2)n1 ZINC001350321147 890961556 /nfs/dbraw/zinc/96/15/56/890961556.db2.gz CJIWPEPIPKZTAF-UHFFFAOYSA-N 1 3 280.332 -0.808 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO)C1 ZINC001449220913 913547004 /nfs/dbraw/zinc/54/70/04/913547004.db2.gz XXTKKJNBZZRCNK-QWHCGFSZSA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001449220913 913547015 /nfs/dbraw/zinc/54/70/15/913547015.db2.gz XXTKKJNBZZRCNK-QWHCGFSZSA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO)C1 ZINC001449220885 913547172 /nfs/dbraw/zinc/54/71/72/913547172.db2.gz XXTKKJNBZZRCNK-CHWSQXEVSA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001449220885 913547186 /nfs/dbraw/zinc/54/71/86/913547186.db2.gz XXTKKJNBZZRCNK-CHWSQXEVSA-N 1 3 287.404 -0.928 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001353034479 891342780 /nfs/dbraw/zinc/34/27/80/891342780.db2.gz IGCQMRPCQNHXCK-GARJFASQSA-N 1 3 259.325 -0.477 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC001353049457 891348988 /nfs/dbraw/zinc/34/89/88/891348988.db2.gz ZIHDBIPQPYWKEU-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](N)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001353081695 891358422 /nfs/dbraw/zinc/35/84/22/891358422.db2.gz XDMZZJAZRUDNEN-SNVBAGLBSA-N 1 3 264.333 -0.438 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449242365 913553831 /nfs/dbraw/zinc/55/38/31/913553831.db2.gz ZMXAMAVEGMALNN-CHWSQXEVSA-N 1 3 287.404 -0.928 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449242365 913553837 /nfs/dbraw/zinc/55/38/37/913553837.db2.gz ZMXAMAVEGMALNN-CHWSQXEVSA-N 1 3 287.404 -0.928 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449242366 913554109 /nfs/dbraw/zinc/55/41/09/913554109.db2.gz ZMXAMAVEGMALNN-OLZOCXBDSA-N 1 3 287.404 -0.928 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449242366 913554117 /nfs/dbraw/zinc/55/41/17/913554117.db2.gz ZMXAMAVEGMALNN-OLZOCXBDSA-N 1 3 287.404 -0.928 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353324144 891405532 /nfs/dbraw/zinc/40/55/32/891405532.db2.gz QHIFMISDZHQCQN-XYPYZODXSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001353449092 891428186 /nfs/dbraw/zinc/42/81/86/891428186.db2.gz ZNTDZQUJQPLBGF-MDZLAQPJSA-N 1 3 255.362 -0.300 20 0 CBADHO COCCN(CCN(C)C)C(=O)NCC1([NH3+])CC1 ZINC001353501482 891437909 /nfs/dbraw/zinc/43/79/09/891437909.db2.gz IQGSCHFVRDQXRZ-UHFFFAOYSA-N 1 3 258.366 -0.303 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1C1CC1 ZINC001353580624 891449814 /nfs/dbraw/zinc/44/98/14/891449814.db2.gz AFUGHWICYIWTAO-QKEORKQXSA-N 1 3 267.373 -0.172 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1C1CC1 ZINC001353580625 891450781 /nfs/dbraw/zinc/45/07/81/891450781.db2.gz AFUGHWICYIWTAO-XOAXOQPSSA-N 1 3 267.373 -0.172 20 0 CBADHO NCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001353971557 891494073 /nfs/dbraw/zinc/49/40/73/891494073.db2.gz BWXXRZDUFXNTFJ-UHFFFAOYSA-N 1 3 255.362 -0.048 20 0 CBADHO C[NH+](C)CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001354091497 891510605 /nfs/dbraw/zinc/51/06/05/891510605.db2.gz AQFNZLBTKYNHIN-UHFFFAOYSA-N 1 3 266.345 -0.133 20 0 CBADHO CS(=O)(=O)C[C@H](O)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC001354238550 891544402 /nfs/dbraw/zinc/54/44/02/891544402.db2.gz XGDWYKJHRHPZDQ-HBNTYKKESA-N 1 3 264.391 -0.501 20 0 CBADHO [NH3+]CCCSCCC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001357845754 891941501 /nfs/dbraw/zinc/94/15/01/891941501.db2.gz IACNNRKLPVPUAS-JTQLQIEISA-N 1 3 273.402 -0.294 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001357967066 891949612 /nfs/dbraw/zinc/94/96/12/891949612.db2.gz PEEUKPVHSNNLFC-NEPJUHHUSA-N 1 3 257.378 -0.102 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001357967069 891949870 /nfs/dbraw/zinc/94/98/70/891949870.db2.gz PEEUKPVHSNNLFC-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001358001529 891957016 /nfs/dbraw/zinc/95/70/16/891957016.db2.gz QEYFFSLXWSDNBP-GMTAPVOTSA-N 1 3 269.345 -0.380 20 0 CBADHO C[C@@H]1[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CCN1C ZINC001358185319 891978535 /nfs/dbraw/zinc/97/85/35/891978535.db2.gz IUGBEGJYSHCPRS-GHMZBOCLSA-N 1 3 280.376 -0.161 20 0 CBADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001363127805 893387040 /nfs/dbraw/zinc/38/70/40/893387040.db2.gz PEQHSXMJDMFGOL-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001363127805 893387055 /nfs/dbraw/zinc/38/70/55/893387055.db2.gz PEQHSXMJDMFGOL-UONOGXRCSA-N 1 3 280.416 -0.071 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001365590723 895034622 /nfs/dbraw/zinc/03/46/22/895034622.db2.gz VVAUJWTWWHJZQR-FLTXBFBQSA-N 1 3 296.415 -0.023 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001365590723 895034641 /nfs/dbraw/zinc/03/46/41/895034641.db2.gz VVAUJWTWWHJZQR-FLTXBFBQSA-N 1 3 296.415 -0.023 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001365827112 895128522 /nfs/dbraw/zinc/12/85/22/895128522.db2.gz RGVAGALFESKNQQ-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC001365828354 895128736 /nfs/dbraw/zinc/12/87/36/895128736.db2.gz ZIPXCGBXTMSNDK-AXFHLTTASA-N 1 3 270.377 -0.704 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001365856115 895136521 /nfs/dbraw/zinc/13/65/21/895136521.db2.gz SRNWWFQWDRVPFT-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366124422 895196538 /nfs/dbraw/zinc/19/65/38/895196538.db2.gz NMBXGPCDAMRKDZ-YRGRVCCFSA-N 1 3 298.431 -0.055 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366123867 895197276 /nfs/dbraw/zinc/19/72/76/895197276.db2.gz DCHOLMIVMRJYEW-CYDGBPFRSA-N 1 3 287.404 -0.429 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001366160192 895214005 /nfs/dbraw/zinc/21/40/05/895214005.db2.gz DCBWPXMKEDKTAZ-GRYCIOLGSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001366173934 895214662 /nfs/dbraw/zinc/21/46/62/895214662.db2.gz WEXFDXUZHLWAST-YFKTTZPYSA-N 1 3 284.404 -0.317 20 0 CBADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001366281493 895258395 /nfs/dbraw/zinc/25/83/95/895258395.db2.gz AWLROGLCHABJNL-CMPLNLGQSA-N 1 3 284.404 -0.171 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001366320343 895274652 /nfs/dbraw/zinc/27/46/52/895274652.db2.gz ODLPPXCXBHHJSX-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001366320343 895274668 /nfs/dbraw/zinc/27/46/68/895274668.db2.gz ODLPPXCXBHHJSX-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N1CCC1 ZINC001366325654 895276221 /nfs/dbraw/zinc/27/62/21/895276221.db2.gz MNVAANXCXXIZNJ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001366320345 895276838 /nfs/dbraw/zinc/27/68/38/895276838.db2.gz ODLPPXCXBHHJSX-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001366320345 895276848 /nfs/dbraw/zinc/27/68/48/895276848.db2.gz ODLPPXCXBHHJSX-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001366328181 895279002 /nfs/dbraw/zinc/27/90/02/895279002.db2.gz RRNMRSSFAFXJBI-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366348295 895289072 /nfs/dbraw/zinc/28/90/72/895289072.db2.gz SXLPHFPCBIMLKH-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366348295 895289087 /nfs/dbraw/zinc/28/90/87/895289087.db2.gz SXLPHFPCBIMLKH-WDEREUQCSA-N 1 3 270.377 -0.832 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001366346535 895290530 /nfs/dbraw/zinc/29/05/30/895290530.db2.gz ULMVYQDYDRCSDH-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001366346535 895290543 /nfs/dbraw/zinc/29/05/43/895290543.db2.gz ULMVYQDYDRCSDH-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001366382801 895302301 /nfs/dbraw/zinc/30/23/01/895302301.db2.gz WWGUQLRRFULWFO-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001366382801 895302318 /nfs/dbraw/zinc/30/23/18/895302318.db2.gz WWGUQLRRFULWFO-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001366402517 895313175 /nfs/dbraw/zinc/31/31/75/895313175.db2.gz ALPQXNPEOOUQGV-ZYHUDNBSSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(N)=O ZINC001366471155 895328628 /nfs/dbraw/zinc/32/86/28/895328628.db2.gz ISNSDGJCXBLDJQ-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO COC[C@H](O)CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366759159 895449041 /nfs/dbraw/zinc/44/90/41/895449041.db2.gz HROLOEIJUUGNHV-TZMCWYRMSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@H](O)CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366759159 895449046 /nfs/dbraw/zinc/44/90/46/895449046.db2.gz HROLOEIJUUGNHV-TZMCWYRMSA-N 1 3 299.415 -0.474 20 0 CBADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C(C)C)C1=O ZINC001366775063 895456524 /nfs/dbraw/zinc/45/65/24/895456524.db2.gz MACVSHZZPUGRKW-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366774833 895456761 /nfs/dbraw/zinc/45/67/61/895456761.db2.gz XRTAVNXRMGIRKC-CHWSQXEVSA-N 1 3 294.399 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366779040 895460804 /nfs/dbraw/zinc/46/08/04/895460804.db2.gz QRVVWMXKYCZMMJ-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366779040 895460809 /nfs/dbraw/zinc/46/08/09/895460809.db2.gz QRVVWMXKYCZMMJ-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366963103 895507963 /nfs/dbraw/zinc/50/79/63/895507963.db2.gz MXCILJWHSZVGRR-MRVWCRGKSA-N 1 3 299.415 -0.618 20 0 CBADHO COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366963103 895507977 /nfs/dbraw/zinc/50/79/77/895507977.db2.gz MXCILJWHSZVGRR-MRVWCRGKSA-N 1 3 299.415 -0.618 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@H](O)COC)C1 ZINC001367020987 895529348 /nfs/dbraw/zinc/52/93/48/895529348.db2.gz YNECIKNISBMMCX-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@H](O)COC)C1 ZINC001367020987 895529351 /nfs/dbraw/zinc/52/93/51/895529351.db2.gz YNECIKNISBMMCX-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367216394 895582485 /nfs/dbraw/zinc/58/24/85/895582485.db2.gz UACCLVHEOYUORL-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367216394 895582498 /nfs/dbraw/zinc/58/24/98/895582498.db2.gz UACCLVHEOYUORL-OLZOCXBDSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367219286 895584853 /nfs/dbraw/zinc/58/48/53/895584853.db2.gz BMLUCYYUCCATHK-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H](C)C(N)=O ZINC001367238845 895592534 /nfs/dbraw/zinc/59/25/34/895592534.db2.gz COCSMBUWESHVDG-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001367552171 895661943 /nfs/dbraw/zinc/66/19/43/895661943.db2.gz NJSZPNYBOVSBNL-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001367552171 895661960 /nfs/dbraw/zinc/66/19/60/895661960.db2.gz NJSZPNYBOVSBNL-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001367645049 895719708 /nfs/dbraw/zinc/71/97/08/895719708.db2.gz RPRUPTQWXIPNSW-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001367646687 895721864 /nfs/dbraw/zinc/72/18/64/895721864.db2.gz INRFJFPVGMHYAC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001367646686 895722476 /nfs/dbraw/zinc/72/24/76/895722476.db2.gz INRFJFPVGMHYAC-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001367646004 895722544 /nfs/dbraw/zinc/72/25/44/895722544.db2.gz YNZCHCMMIIQPSO-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001367653862 895724674 /nfs/dbraw/zinc/72/46/74/895724674.db2.gz BXWIOLHZFAPSIR-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367680975 895745363 /nfs/dbraw/zinc/74/53/63/895745363.db2.gz PWJXJSFYZWIRGU-NEPJUHHUSA-N 1 3 294.399 -0.402 20 0 CBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367681858 895746836 /nfs/dbraw/zinc/74/68/36/895746836.db2.gz AZULSTDOUIMRQY-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367681858 895746853 /nfs/dbraw/zinc/74/68/53/895746853.db2.gz AZULSTDOUIMRQY-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CC[NH+](C)C ZINC001367695610 895748016 /nfs/dbraw/zinc/74/80/16/895748016.db2.gz JIUUEXBCNREVTM-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001367733273 895781703 /nfs/dbraw/zinc/78/17/03/895781703.db2.gz YMFXFAMLVJCGPM-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001367733273 895781722 /nfs/dbraw/zinc/78/17/22/895781722.db2.gz YMFXFAMLVJCGPM-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367772304 895801789 /nfs/dbraw/zinc/80/17/89/895801789.db2.gz RQOFNCNVOKCALM-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367772304 895801796 /nfs/dbraw/zinc/80/17/96/895801796.db2.gz RQOFNCNVOKCALM-NWDGAFQWSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001367915396 895855193 /nfs/dbraw/zinc/85/51/93/895855193.db2.gz ZSUYAXFDHRPCPH-GXSJLCMTSA-N 1 3 270.377 -0.704 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368110149 895915164 /nfs/dbraw/zinc/91/51/64/895915164.db2.gz WDIKCVHWEDKSOK-GXTWGEPZSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(C)C(=O)CNC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368490618 896019734 /nfs/dbraw/zinc/01/97/34/896019734.db2.gz SKYJCHFVCCZDDR-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001368661060 896053541 /nfs/dbraw/zinc/05/35/41/896053541.db2.gz UJRWZODNXUYFBF-NWDGAFQWSA-N 1 3 284.404 -0.537 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369275780 896185728 /nfs/dbraw/zinc/18/57/28/896185728.db2.gz YKXLFNNFFMRGNN-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369275779 896185754 /nfs/dbraw/zinc/18/57/54/896185754.db2.gz YKXLFNNFFMRGNN-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275214 896185804 /nfs/dbraw/zinc/18/58/04/896185804.db2.gz IUTZRTQMLAOCML-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001369316646 896208979 /nfs/dbraw/zinc/20/89/79/896208979.db2.gz XMAXKDPVCIERST-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369403189 896260632 /nfs/dbraw/zinc/26/06/32/896260632.db2.gz OTRVKBXHHBQGCW-VXGBXAGGSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001369438800 896270289 /nfs/dbraw/zinc/27/02/89/896270289.db2.gz CYSIXXWWJMYPDR-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001369438800 896270304 /nfs/dbraw/zinc/27/03/04/896270304.db2.gz CYSIXXWWJMYPDR-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001369488948 896289090 /nfs/dbraw/zinc/28/90/90/896289090.db2.gz LIHUEOFNTWJSHU-VXGBXAGGSA-N 1 3 275.393 -0.884 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001369488947 896291407 /nfs/dbraw/zinc/29/14/07/896291407.db2.gz LIHUEOFNTWJSHU-RYUDHWBXSA-N 1 3 275.393 -0.884 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001369583926 896322158 /nfs/dbraw/zinc/32/21/58/896322158.db2.gz SBQGNSBNBVOBEW-XIVSLSHWSA-N 1 3 284.404 -0.363 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001370219922 896410067 /nfs/dbraw/zinc/41/00/67/896410067.db2.gz CLUWGTGTELALRG-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001370402919 896423047 /nfs/dbraw/zinc/42/30/47/896423047.db2.gz FZHXWCOSVWRVJT-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001370394508 896423329 /nfs/dbraw/zinc/42/33/29/896423329.db2.gz ZFUFJSFVJHTGRP-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001370567295 896444670 /nfs/dbraw/zinc/44/46/70/896444670.db2.gz XEYJUZBRTITBAD-HAQNSBGRSA-N 1 3 294.403 -0.108 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001370676707 896475405 /nfs/dbraw/zinc/47/54/05/896475405.db2.gz JQIFXXMFYXUROK-LPWJVIDDSA-N 1 3 296.415 -0.301 20 0 CBADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001370964434 896526060 /nfs/dbraw/zinc/52/60/60/896526060.db2.gz ORSWIDICCMMRQY-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001371015229 896533780 /nfs/dbraw/zinc/53/37/80/896533780.db2.gz PFLJOHIYNKJBBE-FHUSYTEZSA-N 1 3 294.399 -0.739 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001371015229 896533793 /nfs/dbraw/zinc/53/37/93/896533793.db2.gz PFLJOHIYNKJBBE-FHUSYTEZSA-N 1 3 294.399 -0.739 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)N(C)C ZINC001371341633 896592072 /nfs/dbraw/zinc/59/20/72/896592072.db2.gz CIGVAPRCRBNYNX-VXGBXAGGSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001371422625 896606684 /nfs/dbraw/zinc/60/66/84/896606684.db2.gz DRSZVHVZPHDJLE-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO Cc1nc(CN[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001371417474 896607083 /nfs/dbraw/zinc/60/70/83/896607083.db2.gz JQDVXMQHODIFMB-SNVBAGLBSA-N 1 3 292.387 -0.197 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001371511957 896626009 /nfs/dbraw/zinc/62/60/09/896626009.db2.gz BVBCKSRXKLGERM-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371545036 896632951 /nfs/dbraw/zinc/63/29/51/896632951.db2.gz VDBJNEBKVXCLIX-STQMWFEESA-N 1 3 285.388 -0.720 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001371582797 896641878 /nfs/dbraw/zinc/64/18/78/896641878.db2.gz MCMSQRJZZQNGME-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001372006071 896705965 /nfs/dbraw/zinc/70/59/65/896705965.db2.gz KKBXOLNWHMFWPW-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001372934309 896908391 /nfs/dbraw/zinc/90/83/91/896908391.db2.gz BVELQELSABPBAT-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946261 896914151 /nfs/dbraw/zinc/91/41/51/896914151.db2.gz MCBAMLRDFIJLAF-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001372946261 896914165 /nfs/dbraw/zinc/91/41/65/896914165.db2.gz MCBAMLRDFIJLAF-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001372966344 896916729 /nfs/dbraw/zinc/91/67/29/896916729.db2.gz GOJJWKDLVLMEBY-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](CC)N(C)C)C(N)=O ZINC001372966346 896917439 /nfs/dbraw/zinc/91/74/39/896917439.db2.gz GOJJWKDLVLMEBY-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C ZINC001373788221 897122643 /nfs/dbraw/zinc/12/26/43/897122643.db2.gz BBSLCYJRJZQFEK-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C ZINC001373788218 897123450 /nfs/dbraw/zinc/12/34/50/897123450.db2.gz BBSLCYJRJZQFEK-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001374099051 897171824 /nfs/dbraw/zinc/17/18/24/897171824.db2.gz QBHVUMRKTOQMIE-QWRGUYRKSA-N 1 3 272.393 -0.586 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374281476 897201160 /nfs/dbraw/zinc/20/11/60/897201160.db2.gz OHPVHAPKOMSJDE-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374281476 897201176 /nfs/dbraw/zinc/20/11/76/897201176.db2.gz OHPVHAPKOMSJDE-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001374275825 897202868 /nfs/dbraw/zinc/20/28/68/897202868.db2.gz KHAREXJDXMAQGX-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374282454 897206079 /nfs/dbraw/zinc/20/60/79/897206079.db2.gz PTTYIRZMQZDGEQ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374282454 897206095 /nfs/dbraw/zinc/20/60/95/897206095.db2.gz PTTYIRZMQZDGEQ-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312102 897212944 /nfs/dbraw/zinc/21/29/44/897212944.db2.gz KLNKRKVKEOWYBY-RYUDHWBXSA-N 1 3 294.399 -0.593 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001374675255 897336054 /nfs/dbraw/zinc/33/60/54/897336054.db2.gz LEELZJXSQZJJKD-WDEREUQCSA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001374675255 897336067 /nfs/dbraw/zinc/33/60/67/897336067.db2.gz LEELZJXSQZJJKD-WDEREUQCSA-N 1 3 298.412 -0.339 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001374668616 897336454 /nfs/dbraw/zinc/33/64/54/897336454.db2.gz KYODZWLBCYEILS-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001374668616 897336465 /nfs/dbraw/zinc/33/64/65/897336465.db2.gz KYODZWLBCYEILS-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001374705557 897350416 /nfs/dbraw/zinc/35/04/16/897350416.db2.gz RNXNANQMYNLRFZ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001374772316 897384542 /nfs/dbraw/zinc/38/45/42/897384542.db2.gz QLSADQHGWJLBBB-ZYHUDNBSSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001374811311 897400839 /nfs/dbraw/zinc/40/08/39/897400839.db2.gz NIOJNEASZRQAHN-DGCLKSJQSA-N 1 3 286.420 -0.245 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001374899496 897427834 /nfs/dbraw/zinc/42/78/34/897427834.db2.gz OUOWVWHIOXMHQW-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001374950796 897437038 /nfs/dbraw/zinc/43/70/38/897437038.db2.gz IROGMQUWZCHFGS-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001374950796 897437030 /nfs/dbraw/zinc/43/70/30/897437030.db2.gz IROGMQUWZCHFGS-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001375251919 897503832 /nfs/dbraw/zinc/50/38/32/897503832.db2.gz NAXGHNKKSSDYBV-GFCCVEGCSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)[C@H](C(=O)NCC1(N[C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001375531092 897562206 /nfs/dbraw/zinc/56/22/06/897562206.db2.gz OYKSCFCOJMQUEW-WDEREUQCSA-N 1 3 284.404 -0.315 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001375637767 897578223 /nfs/dbraw/zinc/57/82/23/897578223.db2.gz XEYFHDGCUSDPMD-KGLIPLIRSA-N 1 3 299.415 -0.642 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001375747551 897601560 /nfs/dbraw/zinc/60/15/60/897601560.db2.gz RTXJYYWTPNZLFK-QWRGUYRKSA-N 1 3 293.371 -0.333 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001375769274 897605867 /nfs/dbraw/zinc/60/58/67/897605867.db2.gz XPRSKYWHJNPCKI-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001375769274 897605876 /nfs/dbraw/zinc/60/58/76/897605876.db2.gz XPRSKYWHJNPCKI-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CC(=O)NCC1([NH2+]CCO)CCOCC1)C1CCC1 ZINC001375971516 897622145 /nfs/dbraw/zinc/62/21/45/897622145.db2.gz DMGOYSQOPFQAAM-UHFFFAOYSA-N 1 3 299.415 -0.282 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376097495 897653962 /nfs/dbraw/zinc/65/39/62/897653962.db2.gz URNHMVGCVAYPJX-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376097495 897653969 /nfs/dbraw/zinc/65/39/69/897653969.db2.gz URNHMVGCVAYPJX-HIFRSBDPSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@@H](N[C@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242046 897694873 /nfs/dbraw/zinc/69/48/73/897694873.db2.gz DXHYDDCQZQMGDZ-MWLCHTKSSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](N[C@H](CNC(=O)CC[NH+](C)C)C1CC1)C(N)=O ZINC001376242042 897695637 /nfs/dbraw/zinc/69/56/37/897695637.db2.gz DXHYDDCQZQMGDZ-GXSJLCMTSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001376276677 897702716 /nfs/dbraw/zinc/70/27/16/897702716.db2.gz KHKBJYAZCWIBEV-JQWIXIFHSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001376405813 897726470 /nfs/dbraw/zinc/72/64/70/897726470.db2.gz ZASGCOHVSSUYJI-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[NH+](C)CCCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001376405715 897726486 /nfs/dbraw/zinc/72/64/86/897726486.db2.gz XCMCBKJXWSPNMM-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001376743795 897832035 /nfs/dbraw/zinc/83/20/35/897832035.db2.gz VAMFYPUQXGGUAD-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001376809556 897853885 /nfs/dbraw/zinc/85/38/85/897853885.db2.gz WBWNCPVBADWJCQ-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001376853459 897872224 /nfs/dbraw/zinc/87/22/24/897872224.db2.gz WNZUOUIBHMRAOX-STQMWFEESA-N 1 3 299.415 -0.332 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376940271 897897281 /nfs/dbraw/zinc/89/72/81/897897281.db2.gz MCMSQRJZZQNGME-MELADBBJSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001376948562 897900008 /nfs/dbraw/zinc/90/00/08/897900008.db2.gz OSOVWWDFJCXCMP-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001376967111 897903862 /nfs/dbraw/zinc/90/38/62/897903862.db2.gz HYCVLIHNPLHBFG-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001377114391 897932413 /nfs/dbraw/zinc/93/24/13/897932413.db2.gz VTTSJCMWXWLERS-NEPJUHHUSA-N 1 3 286.420 -0.055 20 0 CBADHO COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377126753 897937950 /nfs/dbraw/zinc/93/79/50/897937950.db2.gz DTGIMTXETGQHOB-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377126753 897937953 /nfs/dbraw/zinc/93/79/53/897937953.db2.gz DTGIMTXETGQHOB-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001377273865 897994781 /nfs/dbraw/zinc/99/47/81/897994781.db2.gz KWDRWMQRFBYGEO-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001377572493 898090388 /nfs/dbraw/zinc/09/03/88/898090388.db2.gz GTPWWHKAXDLBKE-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001377575060 898090935 /nfs/dbraw/zinc/09/09/35/898090935.db2.gz OVTFCCHHVTZCAL-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001377577058 898093711 /nfs/dbraw/zinc/09/37/11/898093711.db2.gz CXATWVQZGGXYNU-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001377577058 898093724 /nfs/dbraw/zinc/09/37/24/898093724.db2.gz CXATWVQZGGXYNU-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001377578312 898095210 /nfs/dbraw/zinc/09/52/10/898095210.db2.gz GACQEIOCKMFCEX-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377866481 898152293 /nfs/dbraw/zinc/15/22/93/898152293.db2.gz JCSONIABPDSKBZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377866481 898152297 /nfs/dbraw/zinc/15/22/97/898152297.db2.gz JCSONIABPDSKBZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001377965745 898182869 /nfs/dbraw/zinc/18/28/69/898182869.db2.gz JSVSJXCZCBWGTG-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)C1CCC1 ZINC001378395883 898329004 /nfs/dbraw/zinc/32/90/04/898329004.db2.gz LEXBAKVXAOXWIO-OAHLLOKOSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378858062 898423541 /nfs/dbraw/zinc/42/35/41/898423541.db2.gz ZVAYMDAZUJSNQZ-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378858062 898423545 /nfs/dbraw/zinc/42/35/45/898423545.db2.gz ZVAYMDAZUJSNQZ-VXGBXAGGSA-N 1 3 284.404 -0.537 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(N)=O)CC[N@@H+]1C ZINC001379128745 898471169 /nfs/dbraw/zinc/47/11/69/898471169.db2.gz GUUZAAHYOUYLSQ-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(N)=O)CC[N@H+]1C ZINC001379128745 898471175 /nfs/dbraw/zinc/47/11/75/898471175.db2.gz GUUZAAHYOUYLSQ-SDDRHHMPSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N(C)C ZINC001379199112 898499872 /nfs/dbraw/zinc/49/98/72/898499872.db2.gz PODDTMMWVHIQPT-NWDGAFQWSA-N 1 3 284.404 -0.395 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC001379285702 898534941 /nfs/dbraw/zinc/53/49/41/898534941.db2.gz QCDYDTMXEQYAID-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001379285918 898536284 /nfs/dbraw/zinc/53/62/84/898536284.db2.gz NSXOHESBRNSZGP-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C ZINC001379279121 898537862 /nfs/dbraw/zinc/53/78/62/898537862.db2.gz SJLSABGKAJXPGE-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C(C)C ZINC001379326973 898552149 /nfs/dbraw/zinc/55/21/49/898552149.db2.gz KGWJOHWCPZLVFG-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379462298 898619980 /nfs/dbraw/zinc/61/99/80/898619980.db2.gz VWCXAJFXCOKBEW-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379462298 898619986 /nfs/dbraw/zinc/61/99/86/898619986.db2.gz VWCXAJFXCOKBEW-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379453417 898622195 /nfs/dbraw/zinc/62/21/95/898622195.db2.gz SRVVVTMGGCANAD-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379512710 898651559 /nfs/dbraw/zinc/65/15/59/898651559.db2.gz BOXZDDPAUQFMCD-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379512710 898651571 /nfs/dbraw/zinc/65/15/71/898651571.db2.gz BOXZDDPAUQFMCD-YNEHKIRRSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001379520150 898654615 /nfs/dbraw/zinc/65/46/15/898654615.db2.gz CIQBLDZJQOSRDR-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001379599856 898677031 /nfs/dbraw/zinc/67/70/31/898677031.db2.gz NXAFJGWSOBJPIJ-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO Cn1nncc1CNC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001379889203 898753026 /nfs/dbraw/zinc/75/30/26/898753026.db2.gz BRKQINOGFKMPTL-CYBMUJFWSA-N 1 3 294.403 -0.249 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1 ZINC001380279794 898845065 /nfs/dbraw/zinc/84/50/65/898845065.db2.gz JBRLUKZUCUJPNN-LLVKDONJSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380423030 898873149 /nfs/dbraw/zinc/87/31/49/898873149.db2.gz NABUKDKSNUNWNO-CQSZACIVSA-N 1 3 293.371 -0.474 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)C(N)=O ZINC001381274802 899023631 /nfs/dbraw/zinc/02/36/31/899023631.db2.gz QLOAWRDTACBODW-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C2CC2)CCC1 ZINC001382022185 899142940 /nfs/dbraw/zinc/14/29/40/899142940.db2.gz YSQFXECWZUWUAL-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001382128707 899159295 /nfs/dbraw/zinc/15/92/95/899159295.db2.gz UIKCBJOCFRQMSA-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001382128719 899159635 /nfs/dbraw/zinc/15/96/35/899159635.db2.gz UIKCBJOCFRQMSA-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001382315095 899246525 /nfs/dbraw/zinc/24/65/25/899246525.db2.gz LOOGPWGZBDVPLK-NWDGAFQWSA-N 1 3 294.399 -0.593 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382318788 899246677 /nfs/dbraw/zinc/24/66/77/899246677.db2.gz RWVVNDXTXOFQPZ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385309178 899561405 /nfs/dbraw/zinc/56/14/05/899561405.db2.gz IGGVHIVLEURGON-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385654842 899587238 /nfs/dbraw/zinc/58/72/38/899587238.db2.gz IXYRXWMZVPKLPM-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001387094022 899760168 /nfs/dbraw/zinc/76/01/68/899760168.db2.gz MKBJPQCQJSAJRX-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001387796400 899832355 /nfs/dbraw/zinc/83/23/55/899832355.db2.gz GARVNHQBXDNRLQ-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H](C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001387823422 899836892 /nfs/dbraw/zinc/83/68/92/899836892.db2.gz UCHGSQVVWXIESA-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001388729348 899904627 /nfs/dbraw/zinc/90/46/27/899904627.db2.gz WBIZXHLRGAQSLO-SRVKXCTJSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@@H](C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001389395003 900005511 /nfs/dbraw/zinc/00/55/11/900005511.db2.gz JJXCYUZLZABHAU-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001389394989 900006993 /nfs/dbraw/zinc/00/69/93/900006993.db2.gz JJXCYUZLZABHAU-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001389406344 900008070 /nfs/dbraw/zinc/00/80/70/900008070.db2.gz DXOZYCVZVQMQGF-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001389406344 900008081 /nfs/dbraw/zinc/00/80/81/900008081.db2.gz DXOZYCVZVQMQGF-RWMBFGLXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001389609362 900049651 /nfs/dbraw/zinc/04/96/51/900049651.db2.gz PBDRKMAQRMLGQP-JQWIXIFHSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001389719340 900062613 /nfs/dbraw/zinc/06/26/13/900062613.db2.gz OPDIIWNGNGPHHT-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389798067 900075090 /nfs/dbraw/zinc/07/50/90/900075090.db2.gz MRWCZWPOIDZSAE-WCQYABFASA-N 1 3 284.404 -0.491 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001389863504 900085687 /nfs/dbraw/zinc/08/56/87/900085687.db2.gz UCXUXUHMRBDHOY-LPWJVIDDSA-N 1 3 296.415 -0.302 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001390222178 900125532 /nfs/dbraw/zinc/12/55/32/900125532.db2.gz BFSQAHIBLCGEFG-PEBLQZBPSA-N 1 3 283.416 0.000 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001390222178 900125539 /nfs/dbraw/zinc/12/55/39/900125539.db2.gz BFSQAHIBLCGEFG-PEBLQZBPSA-N 1 3 283.416 0.000 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001390367826 900146942 /nfs/dbraw/zinc/14/69/42/900146942.db2.gz MHPREPLCUZOMHU-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001390393104 900151531 /nfs/dbraw/zinc/15/15/31/900151531.db2.gz CSSHZTKUJLOQNE-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001390506779 900177376 /nfs/dbraw/zinc/17/73/76/900177376.db2.gz HZTSHQJWPDBPHE-GXTWGEPZSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)N(C)C ZINC001390510076 900178883 /nfs/dbraw/zinc/17/88/83/900178883.db2.gz OEIWDOKNXDBIOF-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390517543 900178989 /nfs/dbraw/zinc/17/89/89/900178989.db2.gz YXLBWFRQAZVAOK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390517543 900179001 /nfs/dbraw/zinc/17/90/01/900179001.db2.gz YXLBWFRQAZVAOK-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522582 900179087 /nfs/dbraw/zinc/17/90/87/900179087.db2.gz RWHGUZNHGRCLPF-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001390522582 900179097 /nfs/dbraw/zinc/17/90/97/900179097.db2.gz RWHGUZNHGRCLPF-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001390512245 900180462 /nfs/dbraw/zinc/18/04/62/900180462.db2.gz RRNMRSSFAFXJBI-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001391210079 900339749 /nfs/dbraw/zinc/33/97/49/900339749.db2.gz OUACPDWZFOFEEF-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001391697844 900434810 /nfs/dbraw/zinc/43/48/10/900434810.db2.gz WLEZCOFLMZHCNU-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(N)=O ZINC001391697844 900434825 /nfs/dbraw/zinc/43/48/25/900434825.db2.gz WLEZCOFLMZHCNU-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)N(C)C ZINC001391726167 900439340 /nfs/dbraw/zinc/43/93/40/900439340.db2.gz VLIATKAESWKXIT-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001391860594 900453377 /nfs/dbraw/zinc/45/33/77/900453377.db2.gz GKHKEWUHVPZINR-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001391860596 900454528 /nfs/dbraw/zinc/45/45/28/900454528.db2.gz GKHKEWUHVPZINR-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001392348339 900574666 /nfs/dbraw/zinc/57/46/66/900574666.db2.gz YBCNSXRVXHTVRX-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392494722 900638661 /nfs/dbraw/zinc/63/86/61/900638661.db2.gz YTSKYEHVTCVDQS-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001392523239 900649119 /nfs/dbraw/zinc/64/91/19/900649119.db2.gz BNXUXUYUKONTBE-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCC[NH+](C)C ZINC001392588956 900670385 /nfs/dbraw/zinc/67/03/85/900670385.db2.gz FOCJWEORKXVDSO-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001392589633 900670661 /nfs/dbraw/zinc/67/06/61/900670661.db2.gz AGCXQFORHQNIIU-AVGNSLFASA-N 1 3 287.404 -0.570 20 0 CBADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001392760985 900717735 /nfs/dbraw/zinc/71/77/35/900717735.db2.gz ALDDAWDATIBAAU-MFKMUULPSA-N 1 3 296.415 -0.171 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392806524 900728144 /nfs/dbraw/zinc/72/81/44/900728144.db2.gz XUFNZLIHKSTZEK-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392806524 900728154 /nfs/dbraw/zinc/72/81/54/900728154.db2.gz XUFNZLIHKSTZEK-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001392791134 900728724 /nfs/dbraw/zinc/72/87/24/900728724.db2.gz DKNBVYBPNCMZID-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001392796471 900728951 /nfs/dbraw/zinc/72/89/51/900728951.db2.gz DWYVFWARHSXXGO-JQWIXIFHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001392796471 900728961 /nfs/dbraw/zinc/72/89/61/900728961.db2.gz DWYVFWARHSXXGO-JQWIXIFHSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060615 900787107 /nfs/dbraw/zinc/78/71/07/900787107.db2.gz ZLNBHJNVRREQAY-NEPJUHHUSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H](NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001393060618 900790900 /nfs/dbraw/zinc/79/09/00/900790900.db2.gz ZLNBHJNVRREQAY-VXGBXAGGSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393396671 900852553 /nfs/dbraw/zinc/85/25/53/900852553.db2.gz NVBFFJZWCOIJGT-UWVGGRQHSA-N 1 3 279.344 -0.878 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393396673 900852658 /nfs/dbraw/zinc/85/26/58/900852658.db2.gz NVBFFJZWCOIJGT-ZJUUUORDSA-N 1 3 279.344 -0.878 20 0 CBADHO CN(CC(=O)NCC1([NH2+]CC(N)=O)CCC1)C1CCC1 ZINC001393541676 900872030 /nfs/dbraw/zinc/87/20/30/900872030.db2.gz ACRIULRVJIJWOK-UHFFFAOYSA-N 1 3 282.388 -0.416 20 0 CBADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001393734552 900900571 /nfs/dbraw/zinc/90/05/71/900900571.db2.gz LSBNJNYSFBLXNV-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001393770146 900903866 /nfs/dbraw/zinc/90/38/66/900903866.db2.gz DNEDBMATIFVPKH-LLVKDONJSA-N 1 3 296.371 -0.724 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001394375568 901019073 /nfs/dbraw/zinc/01/90/73/901019073.db2.gz KVPTULSZWWCJQJ-LPWJVIDDSA-N 1 3 296.415 -0.301 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001394438387 901028037 /nfs/dbraw/zinc/02/80/37/901028037.db2.gz DXEFGRWFAFTLCO-YPMHNXCESA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001394527628 901041813 /nfs/dbraw/zinc/04/18/13/901041813.db2.gz KIPCVMLJYOAXOA-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394536655 901045707 /nfs/dbraw/zinc/04/57/07/901045707.db2.gz JQEWBMAXZBJOJP-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394536655 901045720 /nfs/dbraw/zinc/04/57/20/901045720.db2.gz JQEWBMAXZBJOJP-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394552592 901046722 /nfs/dbraw/zinc/04/67/22/901046722.db2.gz IAWDOYOQRFPELG-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394552592 901046728 /nfs/dbraw/zinc/04/67/28/901046728.db2.gz IAWDOYOQRFPELG-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001394622943 901098095 /nfs/dbraw/zinc/09/80/95/901098095.db2.gz YXDPJSMCCSXBFR-VXGBXAGGSA-N 1 3 287.404 -0.692 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394662401 901113559 /nfs/dbraw/zinc/11/35/59/901113559.db2.gz MKQVZGYMLAQQEX-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001394679314 901117005 /nfs/dbraw/zinc/11/70/05/901117005.db2.gz PQCRLSIOCYLVCY-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001397602633 901435759 /nfs/dbraw/zinc/43/57/59/901435759.db2.gz FFZPKADGAQJQEQ-XQQFMLRXSA-N 1 3 296.415 -0.299 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001397930458 901479837 /nfs/dbraw/zinc/47/98/37/901479837.db2.gz WHTNRVJYXMVGDZ-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001397930458 901479843 /nfs/dbraw/zinc/47/98/43/901479843.db2.gz WHTNRVJYXMVGDZ-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H](N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(N)=O ZINC001398436111 901536299 /nfs/dbraw/zinc/53/62/99/901536299.db2.gz MBUXLAODFCXDQX-PWSUYJOCSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001398535152 901551131 /nfs/dbraw/zinc/55/11/31/901551131.db2.gz XXZLJPJVGMRWFY-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001398535152 901551141 /nfs/dbraw/zinc/55/11/41/901551141.db2.gz XXZLJPJVGMRWFY-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001398665386 901585519 /nfs/dbraw/zinc/58/55/19/901585519.db2.gz LCORCVYAQLILSO-TUAOUCFPSA-N 1 3 282.388 -0.548 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001398673328 901588336 /nfs/dbraw/zinc/58/83/36/901588336.db2.gz UCXUXUHMRBDHOY-QNWHQSFQSA-N 1 3 296.415 -0.302 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001398743040 901600566 /nfs/dbraw/zinc/60/05/66/901600566.db2.gz OCGJRTGUNLHJMV-QWRGUYRKSA-N 1 3 293.371 -0.346 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001398920773 901632350 /nfs/dbraw/zinc/63/23/50/901632350.db2.gz LUIBOOGTSZGONU-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001398920773 901632358 /nfs/dbraw/zinc/63/23/58/901632358.db2.gz LUIBOOGTSZGONU-QJPTWQEYSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001399037574 901654865 /nfs/dbraw/zinc/65/48/65/901654865.db2.gz SMCBUHAFDQOHFE-WOPDTQHZSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001399037574 901654873 /nfs/dbraw/zinc/65/48/73/901654873.db2.gz SMCBUHAFDQOHFE-WOPDTQHZSA-N 1 3 284.404 -0.443 20 0 CBADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399098394 901665941 /nfs/dbraw/zinc/66/59/41/901665941.db2.gz LMAVJRRSWUPUNN-WCQYABFASA-N 1 3 286.420 -0.197 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001399188170 901680257 /nfs/dbraw/zinc/68/02/57/901680257.db2.gz XXICFTHBMTVJGK-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001399187762 901681896 /nfs/dbraw/zinc/68/18/96/901681896.db2.gz VJCMKASXWQNWPJ-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001399217658 901683487 /nfs/dbraw/zinc/68/34/87/901683487.db2.gz FTHSJXXDPSCMAE-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001400015390 901855155 /nfs/dbraw/zinc/85/51/55/901855155.db2.gz DXOZYCVZVQMQGF-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001400015390 901855163 /nfs/dbraw/zinc/85/51/63/901855163.db2.gz DXOZYCVZVQMQGF-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001400048361 901861841 /nfs/dbraw/zinc/86/18/41/901861841.db2.gz HKTFJPCNKSCABP-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001400172219 901888829 /nfs/dbraw/zinc/88/88/29/901888829.db2.gz IKPWMFDSTAEWRB-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO COC[C@@H](O)CN1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400524916 901961253 /nfs/dbraw/zinc/96/12/53/901961253.db2.gz KFIQZNHGBIVYAR-ZDUSSCGKSA-N 1 3 299.415 -0.617 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)NC ZINC001400807629 902021254 /nfs/dbraw/zinc/02/12/54/902021254.db2.gz YSURXNJMYVYCBQ-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)NC ZINC001400807629 902021263 /nfs/dbraw/zinc/02/12/63/902021263.db2.gz YSURXNJMYVYCBQ-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC ZINC001400873374 902034060 /nfs/dbraw/zinc/03/40/60/902034060.db2.gz ZRXHHPCGBJMFIY-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001401246210 902092597 /nfs/dbraw/zinc/09/25/97/902092597.db2.gz XXYMMBOLEXYZEU-NEPJUHHUSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)CN1CCCC1 ZINC001401255597 902095556 /nfs/dbraw/zinc/09/55/56/902095556.db2.gz HKOHUXNHBHKBOL-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001401259946 902095610 /nfs/dbraw/zinc/09/56/10/902095610.db2.gz VQEGSYKKBRYYAO-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO Cc1cccnc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001401558001 902166395 /nfs/dbraw/zinc/16/63/95/902166395.db2.gz PARFKGDWCFCMPD-ZDUSSCGKSA-N 1 3 294.399 -0.092 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C1CC[NH+](C)CC1 ZINC001401603073 902185527 /nfs/dbraw/zinc/18/55/27/902185527.db2.gz SPGMSPOKUIWNQJ-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401641086 902206586 /nfs/dbraw/zinc/20/65/86/902206586.db2.gz STWVWTIDEGQLQK-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001401685266 902231016 /nfs/dbraw/zinc/23/10/16/902231016.db2.gz KIWMRNIHKVXEGT-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402056614 902347176 /nfs/dbraw/zinc/34/71/76/902347176.db2.gz RVTXOCLYUXMLEG-BFHYXJOUSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001402370064 902439228 /nfs/dbraw/zinc/43/92/28/902439228.db2.gz XNMJTKVCMZVPRB-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001402370064 902439238 /nfs/dbraw/zinc/43/92/38/902439238.db2.gz XNMJTKVCMZVPRB-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001402459408 902455184 /nfs/dbraw/zinc/45/51/84/902455184.db2.gz AOYLRSZFMBGTQS-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001402463629 902461295 /nfs/dbraw/zinc/46/12/95/902461295.db2.gz SFQZECSTQFGHAV-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001402514271 902468122 /nfs/dbraw/zinc/46/81/22/902468122.db2.gz VRLZBPXMTXTMPM-FDYHWXHSSA-N 1 3 298.431 -0.056 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001402601243 902486563 /nfs/dbraw/zinc/48/65/63/902486563.db2.gz DQTXIFMSVUHXCP-IGQOVBAYSA-N 1 3 299.415 -0.428 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)[C@@H](C)C1 ZINC001402787927 902517869 /nfs/dbraw/zinc/51/78/69/902517869.db2.gz NWWFMPICECMMKC-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)[C@@H](C)C1 ZINC001402787927 902517878 /nfs/dbraw/zinc/51/78/78/902517878.db2.gz NWWFMPICECMMKC-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001402775680 902520124 /nfs/dbraw/zinc/52/01/24/902520124.db2.gz AYHUMBZNNKEOTE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001402775680 902520130 /nfs/dbraw/zinc/52/01/30/902520130.db2.gz AYHUMBZNNKEOTE-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001402995383 902588601 /nfs/dbraw/zinc/58/86/01/902588601.db2.gz GWIDKGJNOOXFHU-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001403032706 902597165 /nfs/dbraw/zinc/59/71/65/902597165.db2.gz JHGRJCFVOFIEMD-NWDGAFQWSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@@H](N[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042222 902598941 /nfs/dbraw/zinc/59/89/41/902598941.db2.gz IOKLWPUTUWHHRS-ZYHUDNBSSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001403099316 902614425 /nfs/dbraw/zinc/61/44/25/902614425.db2.gz IZPZDGHWCQUDPJ-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001403216411 902650093 /nfs/dbraw/zinc/65/00/93/902650093.db2.gz DCYHTPWACQIEPL-LBPRGKRZSA-N 1 3 282.388 -0.639 20 0 CBADHO C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001403413965 902684658 /nfs/dbraw/zinc/68/46/58/902684658.db2.gz JQHJIIQKUGRCFL-JQWIXIFHSA-N 1 3 282.344 -0.850 20 0 CBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001403581941 902739018 /nfs/dbraw/zinc/73/90/18/902739018.db2.gz HGIDIFSYSVZPAY-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403750474 902839460 /nfs/dbraw/zinc/83/94/60/902839460.db2.gz RQGSBCZFEFWKTQ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH+](C)CC1(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC001403805541 902851541 /nfs/dbraw/zinc/85/15/41/902851541.db2.gz LKGFZNSWLQQHEI-NSHDSACASA-N 1 3 296.415 -0.360 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810285 902856064 /nfs/dbraw/zinc/85/60/64/902856064.db2.gz WVXZAYDZKNDGCN-RYUDHWBXSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810272 902856371 /nfs/dbraw/zinc/85/63/71/902856371.db2.gz WVXZAYDZKNDGCN-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001403810277 902857460 /nfs/dbraw/zinc/85/74/60/902857460.db2.gz WVXZAYDZKNDGCN-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001404309869 902969538 /nfs/dbraw/zinc/96/95/38/902969538.db2.gz FETCZTSXOBCZKQ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001404309821 902970234 /nfs/dbraw/zinc/97/02/34/902970234.db2.gz FDGJUTKEYYCPAA-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001404321942 902974023 /nfs/dbraw/zinc/97/40/23/902974023.db2.gz PAWWCGUNFAPTDZ-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001404329926 902974297 /nfs/dbraw/zinc/97/42/97/902974297.db2.gz PLRMBEZSGIZNML-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001405332292 903147276 /nfs/dbraw/zinc/14/72/76/903147276.db2.gz HPWHPHQZYSDVNT-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001405332292 903147287 /nfs/dbraw/zinc/14/72/87/903147287.db2.gz HPWHPHQZYSDVNT-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(N)=O ZINC001405378543 903159926 /nfs/dbraw/zinc/15/99/26/903159926.db2.gz XNIQZCNBJSFPGG-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(N)=O ZINC001405378545 903160114 /nfs/dbraw/zinc/16/01/14/903160114.db2.gz XNIQZCNBJSFPGG-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001405701360 903205958 /nfs/dbraw/zinc/20/59/58/903205958.db2.gz XDJYTYIDAYEYQI-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001405723866 903207621 /nfs/dbraw/zinc/20/76/21/903207621.db2.gz VRTZPTROMLCGPV-NWDGAFQWSA-N 1 3 286.420 -0.197 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001405849885 903238044 /nfs/dbraw/zinc/23/80/44/903238044.db2.gz OPKGHHDLRHULQE-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001405956468 903250225 /nfs/dbraw/zinc/25/02/25/903250225.db2.gz BFWFMYBTXPMBMV-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001406060635 903260323 /nfs/dbraw/zinc/26/03/23/903260323.db2.gz CLGINTDEQUGSLV-MNOVXSKESA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001406060635 903260326 /nfs/dbraw/zinc/26/03/26/903260326.db2.gz CLGINTDEQUGSLV-MNOVXSKESA-N 1 3 270.377 -0.846 20 0 CBADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001459207466 914714225 /nfs/dbraw/zinc/71/42/25/914714225.db2.gz JLSSRBAHCLOBES-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001406495959 903418283 /nfs/dbraw/zinc/41/82/83/903418283.db2.gz PWJXJSFYZWIRGU-RYUDHWBXSA-N 1 3 294.399 -0.402 20 0 CBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406561979 903433819 /nfs/dbraw/zinc/43/38/19/903433819.db2.gz ONBFDWOBWLBZIF-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406561979 903433828 /nfs/dbraw/zinc/43/38/28/903433828.db2.gz ONBFDWOBWLBZIF-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001459278342 914718749 /nfs/dbraw/zinc/71/87/49/914718749.db2.gz ROZBDUDMUZGIAX-ZDUSSCGKSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406796012 903479512 /nfs/dbraw/zinc/47/95/12/903479512.db2.gz WKKQKKYOLDFTHG-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406796012 903479517 /nfs/dbraw/zinc/47/95/17/903479517.db2.gz WKKQKKYOLDFTHG-STQMWFEESA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001407116219 903546476 /nfs/dbraw/zinc/54/64/76/903546476.db2.gz MMVCVZVYFCKCLW-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001407116219 903546488 /nfs/dbraw/zinc/54/64/88/903546488.db2.gz MMVCVZVYFCKCLW-GRYCIOLGSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347241 903574198 /nfs/dbraw/zinc/57/41/98/903574198.db2.gz MJTSHZVWWCUTQU-SWLSCSKDSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407347241 903574207 /nfs/dbraw/zinc/57/42/07/903574207.db2.gz MJTSHZVWWCUTQU-SWLSCSKDSA-N 1 3 299.415 -0.596 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001407537645 903624731 /nfs/dbraw/zinc/62/47/31/903624731.db2.gz HLXGWOSFHYKTNG-NWDGAFQWSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001408213046 903732943 /nfs/dbraw/zinc/73/29/43/903732943.db2.gz RTGASCTYCBETHK-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409384728 903894315 /nfs/dbraw/zinc/89/43/15/903894315.db2.gz HBEHQBGWHXEQMZ-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C ZINC001409425845 903904210 /nfs/dbraw/zinc/90/42/10/903904210.db2.gz LDASQBUQFKGEOC-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C ZINC001409425845 903904224 /nfs/dbraw/zinc/90/42/24/903904224.db2.gz LDASQBUQFKGEOC-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCC(N)=O ZINC001410368367 904081474 /nfs/dbraw/zinc/08/14/74/904081474.db2.gz BEQLIXFCYROKKO-PWSUYJOCSA-N 1 3 282.388 -0.750 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001410526857 904113079 /nfs/dbraw/zinc/11/30/79/904113079.db2.gz XUOYZWSQLFPNFI-WDEREUQCSA-N 1 3 272.393 -0.363 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001410618118 904143292 /nfs/dbraw/zinc/14/32/92/904143292.db2.gz GVRCFPINJQMITA-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001410655790 904153565 /nfs/dbraw/zinc/15/35/65/904153565.db2.gz ZEXYOPVYHNBGKP-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001410993229 904218961 /nfs/dbraw/zinc/21/89/61/904218961.db2.gz SRLBOHSWHZSLBL-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001410993267 904219157 /nfs/dbraw/zinc/21/91/57/904219157.db2.gz SRLBOHSWHZSLBL-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001411042746 904228302 /nfs/dbraw/zinc/22/83/02/904228302.db2.gz LXWUMPZKAAEDQH-WCQYABFASA-N 1 3 287.404 -0.740 20 0 CBADHO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001412835619 904749524 /nfs/dbraw/zinc/74/95/24/904749524.db2.gz FLVABWHUHQMBTM-ZFWWWQNUSA-N 1 3 298.431 -0.805 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001418046026 906145867 /nfs/dbraw/zinc/14/58/67/906145867.db2.gz RBFQWTWXCCDJTA-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001418067367 906155069 /nfs/dbraw/zinc/15/50/69/906155069.db2.gz ZCECHJDIBDVJQJ-DDHJBXDOSA-N 1 3 282.388 -0.548 20 0 CBADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001418170279 906184326 /nfs/dbraw/zinc/18/43/26/906184326.db2.gz OIFDDIYCVSWYQU-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001418267829 906246959 /nfs/dbraw/zinc/24/69/59/906246959.db2.gz SXKJEXFBGRMDBJ-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001418296909 906266977 /nfs/dbraw/zinc/26/69/77/906266977.db2.gz CHTPHZGXSNRAGC-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001418296909 906266989 /nfs/dbraw/zinc/26/69/89/906266989.db2.gz CHTPHZGXSNRAGC-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001418314125 906279095 /nfs/dbraw/zinc/27/90/95/906279095.db2.gz RGYDKIOAFOJCOK-MNOVXSKESA-N 1 3 272.393 -0.445 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001418314911 906279813 /nfs/dbraw/zinc/27/98/13/906279813.db2.gz VMMNCTHZGOIRJQ-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418330620 906282903 /nfs/dbraw/zinc/28/29/03/906282903.db2.gz QSKUYTDSZGCNBR-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001418414683 906311003 /nfs/dbraw/zinc/31/10/03/906311003.db2.gz KITNRBUSJSHSBF-NSHDSACASA-N 1 3 286.420 -0.066 20 0 CBADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001418414679 906311270 /nfs/dbraw/zinc/31/12/70/906311270.db2.gz KITNRBUSJSHSBF-LLVKDONJSA-N 1 3 286.420 -0.066 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418494247 906365346 /nfs/dbraw/zinc/36/53/46/906365346.db2.gz MFVUHFZIIFVUBW-CYBMUJFWSA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001418813216 906485815 /nfs/dbraw/zinc/48/58/15/906485815.db2.gz VAALKZVFFKBJQC-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001418813216 906485826 /nfs/dbraw/zinc/48/58/26/906485826.db2.gz VAALKZVFFKBJQC-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418825946 906487953 /nfs/dbraw/zinc/48/79/53/906487953.db2.gz IKJBGMBRCPQHTR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418825946 906487967 /nfs/dbraw/zinc/48/79/67/906487967.db2.gz IKJBGMBRCPQHTR-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001418832113 906488520 /nfs/dbraw/zinc/48/85/20/906488520.db2.gz RCZJYOTZSNSEIT-NEPJUHHUSA-N 1 3 286.420 -0.149 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001418831910 906490451 /nfs/dbraw/zinc/49/04/51/906490451.db2.gz PQXBKZQZNHPPMV-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001418831910 906490458 /nfs/dbraw/zinc/49/04/58/906490458.db2.gz PQXBKZQZNHPPMV-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001418821636 906491006 /nfs/dbraw/zinc/49/10/06/906491006.db2.gz RRVFYNKIJIUALT-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001418821636 906491026 /nfs/dbraw/zinc/49/10/26/906491026.db2.gz RRVFYNKIJIUALT-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001418836233 906495574 /nfs/dbraw/zinc/49/55/74/906495574.db2.gz YHLTXGKCENAMAZ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001418836233 906495580 /nfs/dbraw/zinc/49/55/80/906495580.db2.gz YHLTXGKCENAMAZ-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCNC1=O ZINC001419218204 906640538 /nfs/dbraw/zinc/64/05/38/906640538.db2.gz GWCYWPQHPVODBR-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(N)=O ZINC001419236882 906644015 /nfs/dbraw/zinc/64/40/15/906644015.db2.gz OBDBNRWBICUBCB-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419287330 906658970 /nfs/dbraw/zinc/65/89/70/906658970.db2.gz NPLLLZOTMTUVPL-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001419337410 906666070 /nfs/dbraw/zinc/66/60/70/906666070.db2.gz BLYJEEKTBXPLDQ-SMDDNHRTSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)N(C)C ZINC001419410971 906679360 /nfs/dbraw/zinc/67/93/60/906679360.db2.gz NRQQZMOVGBWUDC-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001419406498 906679598 /nfs/dbraw/zinc/67/95/98/906679598.db2.gz MZTYDNYSECYPKG-NQBHXWOUSA-N 1 3 294.403 -0.108 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001419418721 906683448 /nfs/dbraw/zinc/68/34/48/906683448.db2.gz XTBJBHNMAFDZLE-HAQNSBGRSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001419680294 906763690 /nfs/dbraw/zinc/76/36/90/906763690.db2.gz FSSADUPVGBVBKT-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001419693994 906771488 /nfs/dbraw/zinc/77/14/88/906771488.db2.gz AEFMLSOLEGPWNU-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001419755509 906807910 /nfs/dbraw/zinc/80/79/10/906807910.db2.gz QYHLYXHDXPGSHM-WCQYABFASA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419780603 906812801 /nfs/dbraw/zinc/81/28/01/906812801.db2.gz VJEHFFKCFBFZJY-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO CC[C@@H](N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843865 906830695 /nfs/dbraw/zinc/83/06/95/906830695.db2.gz UYFBDXJINIIUAT-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001419843901 906833034 /nfs/dbraw/zinc/83/30/34/906833034.db2.gz UYFBDXJINIIUAT-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419848571 906833435 /nfs/dbraw/zinc/83/34/35/906833435.db2.gz JQIGSPMCXPRKIY-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001419836567 906834465 /nfs/dbraw/zinc/83/44/65/906834465.db2.gz JCDAALZEIUWYKE-DGCLKSJQSA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001419857482 906837138 /nfs/dbraw/zinc/83/71/38/906837138.db2.gz YFQGBSAVIMMOSC-QWRGUYRKSA-N 1 3 286.420 -0.068 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419890338 906850382 /nfs/dbraw/zinc/85/03/82/906850382.db2.gz ATGNTXROJICWTM-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419905262 906854315 /nfs/dbraw/zinc/85/43/15/906854315.db2.gz QUMWITBUHYYBRA-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419957583 906874491 /nfs/dbraw/zinc/87/44/91/906874491.db2.gz JAPQDLCCTQSKRK-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001419957583 906874510 /nfs/dbraw/zinc/87/45/10/906874510.db2.gz JAPQDLCCTQSKRK-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419986617 906884792 /nfs/dbraw/zinc/88/47/92/906884792.db2.gz FBSDIVHUXJSDQP-WCQYABFASA-N 1 3 296.371 -0.602 20 0 CBADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001419990529 906888685 /nfs/dbraw/zinc/88/86/85/906888685.db2.gz JTNUYBGCBNYNNG-LBPRGKRZSA-N 1 3 298.431 -0.112 20 0 CBADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001419990526 906888885 /nfs/dbraw/zinc/88/88/85/906888885.db2.gz JTNUYBGCBNYNNG-GFCCVEGCSA-N 1 3 298.431 -0.112 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001420187527 907002077 /nfs/dbraw/zinc/00/20/77/907002077.db2.gz FQUXOWIMQRZTHO-WDEREUQCSA-N 1 3 298.412 -0.339 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001420187527 907002094 /nfs/dbraw/zinc/00/20/94/907002094.db2.gz FQUXOWIMQRZTHO-WDEREUQCSA-N 1 3 298.412 -0.339 20 0 CBADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCNC1=O ZINC001420246116 907042489 /nfs/dbraw/zinc/04/24/89/907042489.db2.gz RJKPGEHPQUZXMV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420299348 907083222 /nfs/dbraw/zinc/08/32/22/907083222.db2.gz NQLRQBZYCHPIPV-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001420298002 907087592 /nfs/dbraw/zinc/08/75/92/907087592.db2.gz FRKDMYSFIMVDBI-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420333540 907107433 /nfs/dbraw/zinc/10/74/33/907107433.db2.gz IEAUKSMJZZSOKE-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001420376419 907129829 /nfs/dbraw/zinc/12/98/29/907129829.db2.gz JWGYPFPTPFFRMM-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC[NH+](C)C ZINC001420615816 907242479 /nfs/dbraw/zinc/24/24/79/907242479.db2.gz IZFGKWMSMLQWOT-LBPRGKRZSA-N 1 3 282.392 -0.334 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001420738034 907287982 /nfs/dbraw/zinc/28/79/82/907287982.db2.gz CTFMNTGCJOIVLV-GFCCVEGCSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937953 907366350 /nfs/dbraw/zinc/36/63/50/907366350.db2.gz GKIBGBNJELZMEP-NEPJUHHUSA-N 1 3 284.404 -0.408 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001421097040 907426516 /nfs/dbraw/zinc/42/65/16/907426516.db2.gz AATIGKJFBOQUSY-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001421356389 907506654 /nfs/dbraw/zinc/50/66/54/907506654.db2.gz ZHBGFFKCDCJYNA-ZFWWWQNUSA-N 1 3 299.415 -0.596 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421356389 907506670 /nfs/dbraw/zinc/50/66/70/907506670.db2.gz ZHBGFFKCDCJYNA-ZFWWWQNUSA-N 1 3 299.415 -0.596 20 0 CBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001421421377 907538649 /nfs/dbraw/zinc/53/86/49/907538649.db2.gz KFNPEGZJWPUKCA-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001421421382 907539362 /nfs/dbraw/zinc/53/93/62/907539362.db2.gz KFNPEGZJWPUKCA-YPMHNXCESA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC ZINC001421439167 907548288 /nfs/dbraw/zinc/54/82/88/907548288.db2.gz DRLHHJWHWMALKE-QWRGUYRKSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001421488413 907568266 /nfs/dbraw/zinc/56/82/66/907568266.db2.gz INLUGEGNBPTXBD-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001421488413 907568274 /nfs/dbraw/zinc/56/82/74/907568274.db2.gz INLUGEGNBPTXBD-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)NC ZINC001421503462 907568949 /nfs/dbraw/zinc/56/89/49/907568949.db2.gz UFBXMCLWYWHJAI-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001421759607 907635548 /nfs/dbraw/zinc/63/55/48/907635548.db2.gz OMRWNQQAMCJKMM-NWDGAFQWSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(NCC(N)=O)CCC1 ZINC001421806304 907648608 /nfs/dbraw/zinc/64/86/08/907648608.db2.gz SYNJQOZMBYIRRS-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(NCC(N)=O)CCC1 ZINC001421806307 907648981 /nfs/dbraw/zinc/64/89/81/907648981.db2.gz SYNJQOZMBYIRRS-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001421924097 907682911 /nfs/dbraw/zinc/68/29/11/907682911.db2.gz CAMWOLDCUVMJFD-NWDGAFQWSA-N 1 3 286.420 -0.149 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001421961379 907692314 /nfs/dbraw/zinc/69/23/14/907692314.db2.gz RIKAKWIGENGAID-JQWIXIFHSA-N 1 3 284.360 -0.604 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422019755 907701284 /nfs/dbraw/zinc/70/12/84/907701284.db2.gz QRYXWTDIEPSFBU-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422019755 907701293 /nfs/dbraw/zinc/70/12/93/907701293.db2.gz QRYXWTDIEPSFBU-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(CC3CN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC001422142759 907723761 /nfs/dbraw/zinc/72/37/61/907723761.db2.gz JZANUVQEHFLALE-OLZOCXBDSA-N 1 3 287.429 -0.239 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(CC3CN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC001422142759 907723769 /nfs/dbraw/zinc/72/37/69/907723769.db2.gz JZANUVQEHFLALE-OLZOCXBDSA-N 1 3 287.429 -0.239 20 0 CBADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001422504214 907895087 /nfs/dbraw/zinc/89/50/87/907895087.db2.gz GGAAAMLQIXVMBT-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422588646 907936433 /nfs/dbraw/zinc/93/64/33/907936433.db2.gz FXFNCEAKCNMDGR-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422588646 907936439 /nfs/dbraw/zinc/93/64/39/907936439.db2.gz FXFNCEAKCNMDGR-MNOVXSKESA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN[C@H]1CCNC1=O)[NH+](C)C ZINC001422676837 907973363 /nfs/dbraw/zinc/97/33/63/907973363.db2.gz XLZLGKFVXVJOJN-SRVKXCTJSA-N 1 3 284.404 -0.445 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422912800 908057919 /nfs/dbraw/zinc/05/79/19/908057919.db2.gz HEMJKXZXLXIWNV-IJLUTSLNSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001422917184 908059851 /nfs/dbraw/zinc/05/98/51/908059851.db2.gz KIQFASNZBIGZTD-IJLUTSLNSA-N 1 3 284.404 -0.315 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001423138674 908118041 /nfs/dbraw/zinc/11/80/41/908118041.db2.gz OKYSUWSVSNBSOZ-PWSUYJOCSA-N 1 3 284.360 -0.604 20 0 CBADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423173141 908128893 /nfs/dbraw/zinc/12/88/93/908128893.db2.gz YYPPFIIDFWEQRX-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423173141 908128907 /nfs/dbraw/zinc/12/89/07/908128907.db2.gz YYPPFIIDFWEQRX-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423173157 908129197 /nfs/dbraw/zinc/12/91/97/908129197.db2.gz YYPPFIIDFWEQRX-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423173157 908129207 /nfs/dbraw/zinc/12/92/07/908129207.db2.gz YYPPFIIDFWEQRX-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001423288968 908190857 /nfs/dbraw/zinc/19/08/57/908190857.db2.gz OVCYLLBATXKEQQ-RYUDHWBXSA-N 1 3 296.371 -0.636 20 0 CBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423325114 908202536 /nfs/dbraw/zinc/20/25/36/908202536.db2.gz MGFAVQICFCXGGU-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001423473111 908246265 /nfs/dbraw/zinc/24/62/65/908246265.db2.gz GCPWDXZHNOUTMQ-NSHDSACASA-N 1 3 270.377 -0.735 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423473246 908247397 /nfs/dbraw/zinc/24/73/97/908247397.db2.gz UZOLHHTZCGOBAB-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423473246 908247407 /nfs/dbraw/zinc/24/74/07/908247407.db2.gz UZOLHHTZCGOBAB-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(CCO)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423535387 908273129 /nfs/dbraw/zinc/27/31/29/908273129.db2.gz ABWUNZCLQRNKNY-LBPRGKRZSA-N 1 3 287.404 -0.928 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC1 ZINC001423625684 908297653 /nfs/dbraw/zinc/29/76/53/908297653.db2.gz RAYIKYGAIJKCSQ-LBPRGKRZSA-N 1 3 298.431 -0.066 20 0 CBADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](C)O ZINC001423641215 908298818 /nfs/dbraw/zinc/29/88/18/908298818.db2.gz LAWQJEKCFMELJD-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](C)O ZINC001423641215 908298824 /nfs/dbraw/zinc/29/88/24/908298824.db2.gz LAWQJEKCFMELJD-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001423975219 908378510 /nfs/dbraw/zinc/37/85/10/908378510.db2.gz PCFSQTHRUSKEHA-NWDGAFQWSA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424488968 908463553 /nfs/dbraw/zinc/46/35/53/908463553.db2.gz UDUZNNZJDPTXIH-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001424796103 908507539 /nfs/dbraw/zinc/50/75/39/908507539.db2.gz XDQIMSKHHAITJW-MNOVXSKESA-N 1 3 282.388 -0.417 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001425494211 908656984 /nfs/dbraw/zinc/65/69/84/908656984.db2.gz MPBPERDZGHPINV-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001425573467 908677027 /nfs/dbraw/zinc/67/70/27/908677027.db2.gz HBIYWXFVCDQLTH-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001425681566 908689345 /nfs/dbraw/zinc/68/93/45/908689345.db2.gz NDHVZTBYXKNXGB-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CC[C@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686142 908689669 /nfs/dbraw/zinc/68/96/69/908689669.db2.gz UZITZNKNLJVUOI-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001425681578 908690096 /nfs/dbraw/zinc/69/00/96/908690096.db2.gz NDHVZTBYXKNXGB-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC1 ZINC001426170668 908840113 /nfs/dbraw/zinc/84/01/13/908840113.db2.gz YSSFJBKXASWEOK-NSHDSACASA-N 1 3 298.431 -0.066 20 0 CBADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505680096 921464752 /nfs/dbraw/zinc/46/47/52/921464752.db2.gz ZGLDRGMKPMENCY-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC ZINC001505725290 921472540 /nfs/dbraw/zinc/47/25/40/921472540.db2.gz RNTOWMALQHFJHH-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC ZINC001505725290 921472545 /nfs/dbraw/zinc/47/25/45/921472545.db2.gz RNTOWMALQHFJHH-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC ZINC001505725287 921472601 /nfs/dbraw/zinc/47/26/01/921472601.db2.gz RNTOWMALQHFJHH-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC ZINC001505725287 921472606 /nfs/dbraw/zinc/47/26/06/921472606.db2.gz RNTOWMALQHFJHH-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001428721472 909158809 /nfs/dbraw/zinc/15/88/09/909158809.db2.gz JSVSJXCZCBWGTG-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001433744689 909839472 /nfs/dbraw/zinc/83/94/72/909839472.db2.gz WNTOFTMXLPFBPP-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436878695 910498282 /nfs/dbraw/zinc/49/82/82/910498282.db2.gz XJVPACHRRLLBHT-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436878695 910498294 /nfs/dbraw/zinc/49/82/94/910498294.db2.gz XJVPACHRRLLBHT-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001436936436 910511015 /nfs/dbraw/zinc/51/10/15/910511015.db2.gz UJKGBGUHSVIXBM-JHJVBQTASA-N 1 3 296.415 -0.158 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001437249062 910597850 /nfs/dbraw/zinc/59/78/50/910597850.db2.gz OKONACYAVGCBJQ-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437249059 910599430 /nfs/dbraw/zinc/59/94/30/910599430.db2.gz OKONACYAVGCBJQ-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001437260470 910603423 /nfs/dbraw/zinc/60/34/23/910603423.db2.gz LOSCPEWQQKRLRB-WDEREUQCSA-N 1 3 291.417 -0.923 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001437260470 910603432 /nfs/dbraw/zinc/60/34/32/910603432.db2.gz LOSCPEWQQKRLRB-WDEREUQCSA-N 1 3 291.417 -0.923 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001437263178 910603619 /nfs/dbraw/zinc/60/36/19/910603619.db2.gz ROMIWKQXJWBJAW-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001437263178 910603625 /nfs/dbraw/zinc/60/36/25/910603625.db2.gz ROMIWKQXJWBJAW-WDEREUQCSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001437263176 910603883 /nfs/dbraw/zinc/60/38/83/910603883.db2.gz ROMIWKQXJWBJAW-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001437263176 910603889 /nfs/dbraw/zinc/60/38/89/910603889.db2.gz ROMIWKQXJWBJAW-QWRGUYRKSA-N 1 3 270.377 -0.879 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437334707 910614660 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COCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480612603 916496719 /nfs/dbraw/zinc/49/67/19/916496719.db2.gz AKJASYLYCNUSGG-UONOGXRCSA-N 1 3 299.415 -0.066 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001480813489 916552022 /nfs/dbraw/zinc/55/20/22/916552022.db2.gz HKXLWHHTRXIDFD-SNVBAGLBSA-N 1 3 258.366 -0.704 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+]CCN1CCNC1=O)N(C)C ZINC001481245291 916786106 /nfs/dbraw/zinc/78/61/06/916786106.db2.gz HFLXIRJSUTVBRR-GFCCVEGCSA-N 1 3 299.419 -0.600 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(N)=O ZINC001481314310 916813055 /nfs/dbraw/zinc/81/30/55/916813055.db2.gz DJWRKXBYQCBESU-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314676 916817834 /nfs/dbraw/zinc/81/78/34/916817834.db2.gz JWIIVPQJYFEZNS-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314676 916817849 /nfs/dbraw/zinc/81/78/49/916817849.db2.gz JWIIVPQJYFEZNS-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001481319594 916819263 /nfs/dbraw/zinc/81/92/63/916819263.db2.gz JXAJDOCQTJFHBL-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCC(N)=O ZINC001481816505 916994901 /nfs/dbraw/zinc/99/49/01/916994901.db2.gz MGPHDLSIVOGONT-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCC(N)=O ZINC001481816505 916994912 /nfs/dbraw/zinc/99/49/12/916994912.db2.gz MGPHDLSIVOGONT-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001482173330 917073711 /nfs/dbraw/zinc/07/37/11/917073711.db2.gz JPPGBYADTLXFTF-JTQLQIEISA-N 1 3 258.366 -0.846 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482295685 917117999 /nfs/dbraw/zinc/11/79/99/917117999.db2.gz DTNMQBLJVOVYTE-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482295685 917118009 /nfs/dbraw/zinc/11/80/09/917118009.db2.gz DTNMQBLJVOVYTE-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](C[NH2+]CCO)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482290593 917118806 /nfs/dbraw/zinc/11/88/06/917118806.db2.gz ABFPKPOJOXQTTF-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)[C@H]1CCCN1C ZINC001482318881 917125213 /nfs/dbraw/zinc/12/52/13/917125213.db2.gz HKTZNIGMPOTZGA-QWHCGFSZSA-N 1 3 294.403 -0.191 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353710 917135531 /nfs/dbraw/zinc/13/55/31/917135531.db2.gz KMLSGXIVHYFVGV-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353710 917135537 /nfs/dbraw/zinc/13/55/37/917135537.db2.gz KMLSGXIVHYFVGV-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353706 917136004 /nfs/dbraw/zinc/13/60/04/917136004.db2.gz KMLSGXIVHYFVGV-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353706 917136012 /nfs/dbraw/zinc/13/60/12/917136012.db2.gz KMLSGXIVHYFVGV-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001482365561 917139006 /nfs/dbraw/zinc/13/90/06/917139006.db2.gz WQCDCJIOWRNKFP-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495837 917151886 /nfs/dbraw/zinc/15/18/86/917151886.db2.gz STZFTGSFJDQYBL-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054197 917389736 /nfs/dbraw/zinc/38/97/36/917389736.db2.gz KPZYOINKVAJDKX-UMCURTJPSA-N 1 3 256.350 -0.926 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001483053201 917393707 /nfs/dbraw/zinc/39/37/07/917393707.db2.gz CFFYOOFTXQTMAF-ZHRWSRJISA-N 1 3 284.404 -0.323 20 0 CBADHO CC[C@@H]([NH2+]C/C=C\CNC(=O)CN1CCCC1)C(N)=O ZINC001483093635 917406110 /nfs/dbraw/zinc/40/61/10/917406110.db2.gz SARSTZHDWBVARC-VSQXVHSFSA-N 1 3 282.388 -0.392 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001483182312 917452188 /nfs/dbraw/zinc/45/21/88/917452188.db2.gz TUDYRLOTCQQDSW-MNOVXSKESA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001483182312 917452193 /nfs/dbraw/zinc/45/21/93/917452193.db2.gz TUDYRLOTCQQDSW-MNOVXSKESA-N 1 3 298.387 -0.772 20 0 CBADHO C[C@H](CN(C)CCO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340333 917536667 /nfs/dbraw/zinc/53/66/67/917536667.db2.gz ZRJAPJBQJIWXGC-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483484173 917577876 /nfs/dbraw/zinc/57/78/76/917577876.db2.gz KJAXTKZSUGDTGJ-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001483484884 917579684 /nfs/dbraw/zinc/57/96/84/917579684.db2.gz VDBCNISHTCIKQM-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CCO)C1CC1)N(C)C ZINC001483569850 917600148 /nfs/dbraw/zinc/60/01/48/917600148.db2.gz FCXQTIISXSUQQQ-NWDGAFQWSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001483603481 917603288 /nfs/dbraw/zinc/60/32/88/917603288.db2.gz ZUNXCXKHFMNLEF-JQWIXIFHSA-N 1 3 294.399 -0.560 20 0 CBADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483943819 917714005 /nfs/dbraw/zinc/71/40/05/917714005.db2.gz YJDXNIVYNJKYRL-LBPRGKRZSA-N 1 3 294.403 -0.153 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001484538940 917886617 /nfs/dbraw/zinc/88/66/17/917886617.db2.gz IJGTXJQAHUUGNG-NSHDSACASA-N 1 3 266.345 -0.227 20 0 CBADHO CC(C)(C(=O)NCC1(NCC(N)=O)CCC1)[NH+]1CCCC1 ZINC001484645340 917909063 /nfs/dbraw/zinc/90/90/63/917909063.db2.gz LPKXJFNZCPYPJU-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485215231 918030007 /nfs/dbraw/zinc/03/00/07/918030007.db2.gz LUTNTDHJXRZACF-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(N)=O ZINC001485218073 918031988 /nfs/dbraw/zinc/03/19/88/918031988.db2.gz XVNGURWTVDRQOO-VHSXEESVSA-N 1 3 268.361 -0.950 20 0 CBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001485916520 918225881 /nfs/dbraw/zinc/22/58/81/918225881.db2.gz STDNOPOICVWNKA-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002362 918294369 /nfs/dbraw/zinc/29/43/69/918294369.db2.gz QHOKZSQBTMQAND-RYUDHWBXSA-N 1 3 287.404 -0.428 20 0 CBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001486084939 918359654 /nfs/dbraw/zinc/35/96/54/918359654.db2.gz MZYVWGZQMTVZGV-NXEZZACHSA-N 1 3 256.350 -0.998 20 0 CBADHO CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001486300483 918417385 /nfs/dbraw/zinc/41/73/85/918417385.db2.gz CZCORWXFDRSXMN-LLVKDONJSA-N 1 3 254.334 -0.231 20 0 CBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCO)C1)N(C)C ZINC001486480582 918470445 /nfs/dbraw/zinc/47/04/45/918470445.db2.gz KORFADMBSMCBJB-MCIGGMRASA-N 1 3 257.378 -0.102 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001490949654 918993428 /nfs/dbraw/zinc/99/34/28/918993428.db2.gz OFIKEPFRJNEZTH-HAQNSBGRSA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001491080500 919025651 /nfs/dbraw/zinc/02/56/51/919025651.db2.gz OQFQEEWSOKGNKD-GRYCIOLGSA-N 1 3 284.404 -0.173 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001491557288 919201741 /nfs/dbraw/zinc/20/17/41/919201741.db2.gz BYANQAYNINVKGH-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001491557288 919201757 /nfs/dbraw/zinc/20/17/57/919201757.db2.gz BYANQAYNINVKGH-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(N)=O ZINC001491565775 919206182 /nfs/dbraw/zinc/20/61/82/919206182.db2.gz QBMSCJVUZOJGIA-ZJUUUORDSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001491684565 919253187 /nfs/dbraw/zinc/25/31/87/919253187.db2.gz WOCUVFKYZPVXLV-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001491849702 919293044 /nfs/dbraw/zinc/29/30/44/919293044.db2.gz KQMFAPYFNOYLOJ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001493551938 919577076 /nfs/dbraw/zinc/57/70/76/919577076.db2.gz VIXWMSPQXZYZCH-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001493551938 919577089 /nfs/dbraw/zinc/57/70/89/919577089.db2.gz VIXWMSPQXZYZCH-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493549297 919579419 /nfs/dbraw/zinc/57/94/19/919579419.db2.gz FSZYURPCDYEOQF-CYBMUJFWSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001493549058 919579576 /nfs/dbraw/zinc/57/95/76/919579576.db2.gz CKLSUCXHPQMHQI-CMPLNLGQSA-N 1 3 282.388 -0.750 20 0 CBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001493575250 919580494 /nfs/dbraw/zinc/58/04/94/919580494.db2.gz WIRSSBWVWWUONY-LBPRGKRZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H](O)C[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001493575082 919581551 /nfs/dbraw/zinc/58/15/51/919581551.db2.gz RZAVBOYGKWDOSH-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001493793894 919620481 /nfs/dbraw/zinc/62/04/81/919620481.db2.gz OLGXPSDSKIMZNF-GFCCVEGCSA-N 1 3 282.388 -0.639 20 0 CBADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CCO)C1 ZINC001494841452 919804088 /nfs/dbraw/zinc/80/40/88/919804088.db2.gz HTOWNNMLAMZBEI-LBPRGKRZSA-N 1 3 257.378 -0.147 20 0 CBADHO NC(=O)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001495445290 919894084 /nfs/dbraw/zinc/89/40/84/919894084.db2.gz MPMGYZPTGHTTFB-UHFFFAOYSA-N 1 3 296.415 -0.214 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150293 920033320 /nfs/dbraw/zinc/03/33/20/920033320.db2.gz PPNJFLZMSNLSAK-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001496146184 920034204 /nfs/dbraw/zinc/03/42/04/920034204.db2.gz XUTQBYZRTYBZGM-WDEREUQCSA-N 1 3 284.404 -0.362 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149917 920034775 /nfs/dbraw/zinc/03/47/75/920034775.db2.gz OXKJGVIBHGMJQL-SNVBAGLBSA-N 1 3 258.366 -0.879 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001496208959 920044466 /nfs/dbraw/zinc/04/44/66/920044466.db2.gz ICGZCWXXYCLLOG-MNOVXSKESA-N 1 3 272.393 -0.362 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001497362763 920292071 /nfs/dbraw/zinc/29/20/71/920292071.db2.gz UEWPZWMBGNRGSW-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCN1C ZINC001497362764 920292148 /nfs/dbraw/zinc/29/21/48/920292148.db2.gz UEWPZWMBGNRGSW-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC[NH2+]CCCO)C(=O)[C@H]1CCCN1C ZINC001497361331 920292634 /nfs/dbraw/zinc/29/26/34/920292634.db2.gz CMUMOIXIHUYMLD-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497600668 920350733 /nfs/dbraw/zinc/35/07/33/920350733.db2.gz GVIPRERZVCGRSQ-XRMAHGQMSA-N 1 3 298.431 -0.031 20 0 CBADHO C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001497650078 920356758 /nfs/dbraw/zinc/35/67/58/920356758.db2.gz NNPWIWQCXZOUFU-HEKLCECKSA-N 1 3 255.362 -0.277 20 0 CBADHO CCN1CC[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)C1=O ZINC001497676304 920368511 /nfs/dbraw/zinc/36/85/11/920368511.db2.gz XNIXNYGAFJGVFJ-GFUIURDCSA-N 1 3 296.415 -0.179 20 0 CBADHO CC[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001497729710 920375516 /nfs/dbraw/zinc/37/55/16/920375516.db2.gz HVDJULYCJVBXAJ-CIUCYMIDSA-N 1 3 296.415 -0.146 20 0 CBADHO CC[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001497729710 920375533 /nfs/dbraw/zinc/37/55/33/920375533.db2.gz HVDJULYCJVBXAJ-CIUCYMIDSA-N 1 3 296.415 -0.146 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497817688 920404091 /nfs/dbraw/zinc/40/40/91/920404091.db2.gz SUCFSBRGLQEROT-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001498195393 920514466 /nfs/dbraw/zinc/51/44/66/920514466.db2.gz KXGPAFCMGFZNSJ-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001498195393 920514481 /nfs/dbraw/zinc/51/44/81/920514481.db2.gz KXGPAFCMGFZNSJ-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO COC[C@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001498525966 920603264 /nfs/dbraw/zinc/60/32/64/920603264.db2.gz IFVPHALTRPRPKJ-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001498581232 920613667 /nfs/dbraw/zinc/61/36/67/920613667.db2.gz CXAZGDLJQIRSMB-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001498611791 920615160 /nfs/dbraw/zinc/61/51/60/920615160.db2.gz BGCAXZWPIGDOAE-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001498758195 920635846 /nfs/dbraw/zinc/63/58/46/920635846.db2.gz GUYROHGLPOMQDL-RTXFEEFZSA-N 1 3 296.415 -0.443 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001498758195 920635855 /nfs/dbraw/zinc/63/58/55/920635855.db2.gz GUYROHGLPOMQDL-RTXFEEFZSA-N 1 3 296.415 -0.443 20 0 CBADHO C[NH+]1CCC(CC(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1 ZINC001498832987 920643939 /nfs/dbraw/zinc/64/39/39/920643939.db2.gz SBGDTMBRKASFHK-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001498878253 920652707 /nfs/dbraw/zinc/65/27/07/920652707.db2.gz ZQMSOZXZRSIFJL-GFCCVEGCSA-N 1 3 257.378 -0.197 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001499896462 920783466 /nfs/dbraw/zinc/78/34/66/920783466.db2.gz KWVNEAKRPRYZGF-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001499896462 920783480 /nfs/dbraw/zinc/78/34/80/920783480.db2.gz KWVNEAKRPRYZGF-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507726797 921893064 /nfs/dbraw/zinc/89/30/64/921893064.db2.gz NBVLFVUJPUEJTN-CHWSQXEVSA-N 1 3 287.404 -0.664 20 0 CBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507726797 921893076 /nfs/dbraw/zinc/89/30/76/921893076.db2.gz NBVLFVUJPUEJTN-CHWSQXEVSA-N 1 3 287.404 -0.664 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001508016214 921904922 /nfs/dbraw/zinc/90/49/22/921904922.db2.gz OJZWYLDMHFYPOO-NEPJUHHUSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](C)CN1 ZINC001521513928 922365977 /nfs/dbraw/zinc/36/59/77/922365977.db2.gz ZSMJPMDCAYCQRP-WZRBSPASSA-N 1 3 255.362 -0.300 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001521566574 922369857 /nfs/dbraw/zinc/36/98/57/922369857.db2.gz ODOQBQRSXKJEPG-FRRDWIJNSA-N 1 3 269.389 -0.122 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2c1CNC2 ZINC001522248515 922402756 /nfs/dbraw/zinc/40/27/56/922402756.db2.gz IUTKIHLONFQQPA-NSHDSACASA-N 1 3 263.341 -0.058 20 0 CBADHO NC1(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001522564945 922468934 /nfs/dbraw/zinc/46/89/34/922468934.db2.gz WUICOKHIMJZWCU-SNVBAGLBSA-N 1 3 253.346 -0.247 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001522654072 922497276 /nfs/dbraw/zinc/49/72/76/922497276.db2.gz MQJZUMYBIDKGSP-LLVKDONJSA-N 1 3 293.371 -0.555 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001522654072 922497288 /nfs/dbraw/zinc/49/72/88/922497288.db2.gz MQJZUMYBIDKGSP-LLVKDONJSA-N 1 3 293.371 -0.555 20 0 CBADHO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC2(CC1)CNCCO2 ZINC001523168479 922574841 /nfs/dbraw/zinc/57/48/41/922574841.db2.gz DFSMGQWPHMAPPG-SDDRHHMPSA-N 1 3 265.357 -0.425 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1CNCCO1)C2 ZINC001523551749 922597120 /nfs/dbraw/zinc/59/71/20/922597120.db2.gz UZRXLRYGOZXPMB-FIQHERPVSA-N 1 3 253.346 -0.297 20 0 CBADHO CN1CC[NH2+]C[C@H]1C(=O)Nc1cnc2c(c1)CNCC2 ZINC001548554742 923379286 /nfs/dbraw/zinc/37/92/86/923379286.db2.gz FMRIYLKTISWXHH-ZDUSSCGKSA-N 1 3 275.356 -0.431 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001548557483 923380154 /nfs/dbraw/zinc/38/01/54/923380154.db2.gz WHSBSJDSCQXBIX-KGLIPLIRSA-N 1 3 280.416 -0.262 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001548558698 923382797 /nfs/dbraw/zinc/38/27/97/923382797.db2.gz ZECWCNNHFXKKTR-ZDUSSCGKSA-N 1 3 280.416 -0.118 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC2(CNC2)O1 ZINC001548575834 923400837 /nfs/dbraw/zinc/40/08/37/923400837.db2.gz JKMZXEIOZYBREV-MNOVXSKESA-N 1 3 283.372 -0.670 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548575579 923401456 /nfs/dbraw/zinc/40/14/56/923401456.db2.gz FTGCQZPEPSQHGS-QWRGUYRKSA-N 1 3 285.388 -0.818 20 0 CBADHO CC(C)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623845 923410824 /nfs/dbraw/zinc/41/08/24/923410824.db2.gz HMGZMQMAAZYAST-KBPBESRZSA-N 1 3 280.416 -0.073 20 0 CBADHO CC(C)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623845 923410833 /nfs/dbraw/zinc/41/08/33/923410833.db2.gz HMGZMQMAAZYAST-KBPBESRZSA-N 1 3 280.416 -0.073 20 0 CBADHO CC(C)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623847 923411194 /nfs/dbraw/zinc/41/11/94/923411194.db2.gz HMGZMQMAAZYAST-UONOGXRCSA-N 1 3 280.416 -0.073 20 0 CBADHO CC(C)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548623847 923411205 /nfs/dbraw/zinc/41/12/05/923411205.db2.gz HMGZMQMAAZYAST-UONOGXRCSA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CN2CCN1C[C@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679683 923443849 /nfs/dbraw/zinc/44/38/49/923443849.db2.gz RGPSEXPCSOVYQV-STQMWFEESA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@H]1CN2CCN1C[C@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679683 923443857 /nfs/dbraw/zinc/44/38/57/923443857.db2.gz RGPSEXPCSOVYQV-STQMWFEESA-N 1 3 280.416 -0.073 20 0 CBADHO C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CCN1C ZINC001548680132 923444856 /nfs/dbraw/zinc/44/48/56/923444856.db2.gz NFHSKVVAQIPSIA-RFQIPJPRSA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CCN1C ZINC001548680132 923444869 /nfs/dbraw/zinc/44/48/69/923444869.db2.gz NFHSKVVAQIPSIA-RFQIPJPRSA-N 1 3 280.416 -0.074 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CC[NH2+]C3)C2)nn1 ZINC001549047622 923545712 /nfs/dbraw/zinc/54/57/12/923545712.db2.gz UYMGAERWNFSZEM-JQWIXIFHSA-N 1 3 278.360 -0.490 20 0 CBADHO C[C@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001549047685 923548186 /nfs/dbraw/zinc/54/81/86/923548186.db2.gz WKRSZCMKHSVKTC-JSGCOSHPSA-N 1 3 292.387 -0.100 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549130261 923560894 /nfs/dbraw/zinc/56/08/94/923560894.db2.gz YKBDYVHPUYLLMT-CORIIIEPSA-N 1 3 296.415 -0.327 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549292988 923582459 /nfs/dbraw/zinc/58/24/59/923582459.db2.gz GRPUOTHOKRIWJA-NWDGAFQWSA-N 1 3 280.376 -0.102 20 0 CBADHO C[C@H](N)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729044 923633321 /nfs/dbraw/zinc/63/33/21/923633321.db2.gz XXLCKHISFPJGPM-MKPLZMMCSA-N 1 3 268.361 -0.903 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084550 923668756 /nfs/dbraw/zinc/66/87/56/923668756.db2.gz FAVGPDDJIUAYHQ-DGCLKSJQSA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096309 923678649 /nfs/dbraw/zinc/67/86/49/923678649.db2.gz KFUPHUPMZHNLDA-DLOVCJGASA-N 1 3 278.360 -0.492 20 0 CBADHO C[C@@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550094882 923678706 /nfs/dbraw/zinc/67/87/06/923678706.db2.gz ZAZKOKPRWULFLM-YPMHNXCESA-N 1 3 278.360 -0.348 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550094916 923679438 /nfs/dbraw/zinc/67/94/38/923679438.db2.gz ANRGWADXFODLIE-GHMZBOCLSA-N 1 3 278.360 -0.492 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001550097267 923681891 /nfs/dbraw/zinc/68/18/91/923681891.db2.gz HZORMGIRLNSYKM-WDEREUQCSA-N 1 3 264.333 -0.738 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)nn1 ZINC001550097507 923682111 /nfs/dbraw/zinc/68/21/11/923682111.db2.gz SFNBITCMRAUYMD-RYUDHWBXSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001550097228 923682153 /nfs/dbraw/zinc/68/21/53/923682153.db2.gz FAOBSNYMPRVNJN-CMPLNLGQSA-N 1 3 278.360 -0.348 20 0 CBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097489 923682186 /nfs/dbraw/zinc/68/21/86/923682186.db2.gz OURBWANQRJYTBH-CMPLNLGQSA-N 1 3 278.360 -0.490 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550114048 923687162 /nfs/dbraw/zinc/68/71/62/923687162.db2.gz HDBSNSHWBKVOMR-MGPQQGTHSA-N 1 3 275.352 -0.067 20 0 CBADHO [NH3+]CC12CC(NC(=O)[C@H]3CN4CCC[C@@H]4CO3)(C1)C2 ZINC001550118201 923692094 /nfs/dbraw/zinc/69/20/94/923692094.db2.gz PXRSHIFWEVDWFD-IENTYSSBSA-N 1 3 265.357 -0.153 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550183292 923704917 /nfs/dbraw/zinc/70/49/17/923704917.db2.gz MNQXECMNPWKKNL-JHJVBQTASA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@@H](CN)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001550185900 923705901 /nfs/dbraw/zinc/70/59/01/923705901.db2.gz MDYQQVRFTJTLFY-AWEZNQCLSA-N 1 3 299.415 -0.033 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550188778 923706574 /nfs/dbraw/zinc/70/65/74/923706574.db2.gz NUJZHTCMFQJEQK-QWHCGFSZSA-N 1 3 285.388 -0.423 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001550184541 923706849 /nfs/dbraw/zinc/70/68/49/923706849.db2.gz FBMGILUVHZCIFI-FVCCEPFGSA-N 1 3 285.388 -0.153 20 0 CBADHO C[C@@H](C[NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202491 923710250 /nfs/dbraw/zinc/71/02/50/923710250.db2.gz OBJDINCAMWPXKJ-LBPRGKRZSA-N 1 3 296.415 -0.086 20 0 CBADHO C[NH2+]CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200240 923710464 /nfs/dbraw/zinc/71/04/64/923710464.db2.gz DWXDHGYOBSGEQF-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO CO[C@H](CN)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550194985 923710714 /nfs/dbraw/zinc/71/07/14/923710714.db2.gz TXKJJKNDDSAJLU-WDEREUQCSA-N 1 3 271.361 -0.765 20 0 CBADHO [NH3+]C[C@]12CCC[C@@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC001550440056 923729497 /nfs/dbraw/zinc/72/94/97/923729497.db2.gz UQTGUWOCMPCBJH-NEPJUHHUSA-N 1 3 288.417 -0.803 20 0 CBADHO CC[C@@H]1NCCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC001550474934 923730608 /nfs/dbraw/zinc/73/06/08/923730608.db2.gz WFEUCWJDPDPDDR-GUTXKFCHSA-N 1 3 297.399 -0.266 20 0 CBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNC[C@@H](O)C1 ZINC001550751491 923745916 /nfs/dbraw/zinc/74/59/16/923745916.db2.gz TZJCGTQMUAHQCG-PSEXLTFBSA-N 1 3 282.388 -0.507 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCNC[C@H](O)C1 ZINC001551485277 923797483 /nfs/dbraw/zinc/79/74/83/923797483.db2.gz DIYNPOZSZXZESQ-IACUBPJLSA-N 1 3 290.367 -0.413 20 0 CBADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC001551501913 923799969 /nfs/dbraw/zinc/79/99/69/923799969.db2.gz FXLCFYDDVCLRAA-MRVWCRGKSA-N 1 3 290.367 -0.101 20 0 CBADHO COCCN1CC[C@H](NC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551586870 923803977 /nfs/dbraw/zinc/80/39/77/923803977.db2.gz ITIZFKMOIVAEII-WDBLDGLGSA-N 1 3 282.388 -0.114 20 0 CBADHO N[C@@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CC[C@@H]1F ZINC001551572853 923804081 /nfs/dbraw/zinc/80/40/81/923804081.db2.gz DFYPQXUTYVXCDN-YXTXXVRDSA-N 1 3 256.325 -0.053 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CCO1 ZINC001551595544 923807305 /nfs/dbraw/zinc/80/73/05/923807305.db2.gz ULOMKGXNUBGJQQ-BEVNXUHPSA-N 1 3 282.388 -0.162 20 0 CBADHO O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CCN2CCC[C@@H]2C1 ZINC001552177198 923845468 /nfs/dbraw/zinc/84/54/68/923845468.db2.gz CQBIQSWGRWSMLP-NWDGAFQWSA-N 1 3 290.371 -0.267 20 0 CBADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1CNCCO1)C2 ZINC001552185049 923847087 /nfs/dbraw/zinc/84/70/87/923847087.db2.gz OUUMBDVWAMLZCQ-BZPMIXESSA-N 1 3 282.388 -0.255 20 0 CBADHO CCN1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552200621 923855659 /nfs/dbraw/zinc/85/56/59/923855659.db2.gz SEEYNLASFBPZOA-DYEKYZERSA-N 1 3 267.373 -0.177 20 0 CBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552215182 923868128 /nfs/dbraw/zinc/86/81/28/923868128.db2.gz DWRCJXUGEYIVQW-OCCSQVGLSA-N 1 3 297.399 -0.408 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCN(C)C1 ZINC001552215366 923868360 /nfs/dbraw/zinc/86/83/60/923868360.db2.gz FZDJDOBDQHITEV-GVXVVHGQSA-N 1 3 253.346 -0.615 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC[C@@H]1F ZINC001552216308 923870887 /nfs/dbraw/zinc/87/08/87/923870887.db2.gz PVKNSCRXJPQFST-KXUCPTDWSA-N 1 3 282.323 -0.676 20 0 CBADHO Cc1c(CN)c(NC(=O)[C@@H]2C[NH2+]CCOC2)nn1C ZINC001552216902 923872480 /nfs/dbraw/zinc/87/24/80/923872480.db2.gz AGSVCSMYJQRBQA-SECBINFHSA-N 1 3 267.333 -0.638 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)CC3)C[C@H](C)N1 ZINC001553358707 923959586 /nfs/dbraw/zinc/95/95/86/923959586.db2.gz PPVYSEVXDXVHBL-COMQUAJESA-N 1 3 280.416 -0.264 20 0 CBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[C@@H]1F ZINC001553406286 923979571 /nfs/dbraw/zinc/97/95/71/923979571.db2.gz DOMDQNZWQCCNCR-SSRBZLIGSA-N 1 3 257.309 -0.597 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553410361 923983487 /nfs/dbraw/zinc/98/34/87/923983487.db2.gz KXRHPDIZAWCPCY-MQYQWHSLSA-N 1 3 297.399 -0.267 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553410364 923983522 /nfs/dbraw/zinc/98/35/22/923983522.db2.gz KXRHPDIZAWCPCY-YIYPIFLZSA-N 1 3 297.399 -0.267 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCN1 ZINC001553415668 923989945 /nfs/dbraw/zinc/98/99/45/923989945.db2.gz ZHOJNDLURUQONM-OUAUKWLOSA-N 1 3 253.346 -0.284 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCN1 ZINC001553415662 923990339 /nfs/dbraw/zinc/99/03/39/923990339.db2.gz ZHOJNDLURUQONM-DCAQKATOSA-N 1 3 253.346 -0.284 20 0 CBADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@H]21 ZINC001553443745 924001940 /nfs/dbraw/zinc/00/19/40/924001940.db2.gz IVWICQNTKPSRFI-ZUWCUPBKSA-N 1 3 294.399 -0.304 20 0 CBADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC001553447667 924002041 /nfs/dbraw/zinc/00/20/41/924002041.db2.gz VRDQQFLBLQTPCH-COMQUAJESA-N 1 3 294.399 -0.018 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC001553494649 924009980 /nfs/dbraw/zinc/00/99/80/924009980.db2.gz CINZDDWPDGQSQR-MELADBBJSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553497932 924012640 /nfs/dbraw/zinc/01/26/40/924012640.db2.gz RAMUJKXGEDHQQN-WOPDTQHZSA-N 1 3 270.377 -0.426 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC12CCOCC2 ZINC001553505852 924015651 /nfs/dbraw/zinc/01/56/51/924015651.db2.gz UFZJDNPLOQRZMG-NWDGAFQWSA-N 1 3 298.387 -0.876 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553506975 924016208 /nfs/dbraw/zinc/01/62/08/924016208.db2.gz OVUIJVLYETUSMF-FRRDWIJNSA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553501930 924017311 /nfs/dbraw/zinc/01/73/11/924017311.db2.gz IUTDGPVLTUJNCG-NWDGAFQWSA-N 1 3 298.387 -0.957 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553510561 924018782 /nfs/dbraw/zinc/01/87/82/924018782.db2.gz QNVRVKACHWPFPS-RWMBFGLXSA-N 1 3 284.404 -0.165 20 0 CBADHO [NH3+]CC1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553534671 924026323 /nfs/dbraw/zinc/02/63/23/924026323.db2.gz YTXVUVIDTQJJJN-CHWSQXEVSA-N 1 3 296.415 -0.034 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553527101 924026637 /nfs/dbraw/zinc/02/66/37/924026637.db2.gz JJXZOFVSMIBBPY-ZOBORPQBSA-N 1 3 296.415 -0.165 20 0 CBADHO [NH3+]C1CC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553559079 924031153 /nfs/dbraw/zinc/03/11/53/924031153.db2.gz UZXUOKBMCMZDSG-IFWUJCSASA-N 1 3 282.388 -0.283 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423764961 282138044 /nfs/dbraw/zinc/13/80/44/282138044.db2.gz WIKCYYJHAPDHEE-RYUDHWBXSA-N 1 3 255.362 -0.083 20 0 CBADHO CN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1CC1 ZINC000337724689 282142100 /nfs/dbraw/zinc/14/21/00/282142100.db2.gz LIVCPOWSGORUCJ-CYBMUJFWSA-N 1 3 272.393 -0.308 20 0 CBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000337839892 214281501 /nfs/dbraw/zinc/28/15/01/214281501.db2.gz FPJYWWGGMQLOMN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419143936 290657233 /nfs/dbraw/zinc/65/72/33/290657233.db2.gz DUPJYUZGPMXGQU-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCN(C)CC1 ZINC000126086679 187216188 /nfs/dbraw/zinc/21/61/88/187216188.db2.gz LMNAEAMEBVZFDL-LBPRGKRZSA-N 1 3 270.377 -0.750 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126162999 187221819 /nfs/dbraw/zinc/22/18/19/187221819.db2.gz YITYPYFFPPPUMQ-RISCZKNCSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000126162999 187221820 /nfs/dbraw/zinc/22/18/20/187221820.db2.gz YITYPYFFPPPUMQ-RISCZKNCSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000126162343 187221883 /nfs/dbraw/zinc/22/18/83/187221883.db2.gz CLUWKYULPZLMJA-JQWIXIFHSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000126162343 187221885 /nfs/dbraw/zinc/22/18/85/187221885.db2.gz CLUWKYULPZLMJA-JQWIXIFHSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)CC[NH+](C)C ZINC000126266739 187228810 /nfs/dbraw/zinc/22/88/10/187228810.db2.gz YKHRRUBZSFVBOD-PWSUYJOCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[NH+](C)C ZINC000126286910 187229718 /nfs/dbraw/zinc/22/97/18/187229718.db2.gz DXODVMOXURKICM-LBPRGKRZSA-N 1 3 272.393 -0.456 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126466977 187242142 /nfs/dbraw/zinc/24/21/42/187242142.db2.gz LHHYPMLCHVAIAG-SCRDCRAPSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126466977 187242144 /nfs/dbraw/zinc/24/21/44/187242144.db2.gz LHHYPMLCHVAIAG-SCRDCRAPSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000126467471 187242261 /nfs/dbraw/zinc/24/22/61/187242261.db2.gz YEUSJNZYOABPKX-LOWVWBTDSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000126467471 187242262 /nfs/dbraw/zinc/24/22/62/187242262.db2.gz YEUSJNZYOABPKX-LOWVWBTDSA-N 1 3 284.404 -0.315 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000351454258 219096368 /nfs/dbraw/zinc/09/63/68/219096368.db2.gz AULYWORQXHTAJJ-CYBMUJFWSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000351454258 219096369 /nfs/dbraw/zinc/09/63/69/219096369.db2.gz AULYWORQXHTAJJ-CYBMUJFWSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000351454259 219097610 /nfs/dbraw/zinc/09/76/10/219097610.db2.gz AULYWORQXHTAJJ-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000351454259 219097613 /nfs/dbraw/zinc/09/76/13/219097613.db2.gz AULYWORQXHTAJJ-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)N3CCOCC3)C[C@H]12 ZINC000351488850 219104678 /nfs/dbraw/zinc/10/46/78/219104678.db2.gz GJYGDDVSUBDSJN-RWMBFGLXSA-N 1 3 267.373 -0.096 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351567717 219128476 /nfs/dbraw/zinc/12/84/76/219128476.db2.gz MKFJVZLTLHRFRX-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO CN1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351567718 219128688 /nfs/dbraw/zinc/12/86/88/219128688.db2.gz MKFJVZLTLHRFRX-QWRGUYRKSA-N 1 3 268.361 -0.935 20 0 CBADHO CN(CC(=O)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000094024610 282347059 /nfs/dbraw/zinc/34/70/59/282347059.db2.gz PTMWPJYYTXDVAM-UHFFFAOYSA-N 1 3 255.362 -0.223 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000351839695 219222622 /nfs/dbraw/zinc/22/26/22/219222622.db2.gz LOUAYYRQDPOZSN-XQQFMLRXSA-N 1 3 296.415 -0.408 20 0 CBADHO O=C(C[NH2+]CC1CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668194 180224510 /nfs/dbraw/zinc/22/45/10/180224510.db2.gz MDRUUKSDCNKWIS-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]([NH3+])C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000110649299 186309767 /nfs/dbraw/zinc/30/97/67/186309767.db2.gz VDUPCLJNFMJJKS-SECBINFHSA-N 1 3 254.334 -0.403 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036999125 351395610 /nfs/dbraw/zinc/39/56/10/351395610.db2.gz GKSVFZVTUAHXEK-SDDRHHMPSA-N 1 3 255.362 -0.300 20 0 CBADHO Cn1cc(C[NH2+]C[C@@H]2CCCN(C)C2)c(=O)n(C)c1=O ZINC000044534185 351444440 /nfs/dbraw/zinc/44/44/40/351444440.db2.gz BZWOGDAZKCBWBW-NSHDSACASA-N 1 3 280.372 -0.485 20 0 CBADHO C[C@H](CCN(C)C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000049553634 351494555 /nfs/dbraw/zinc/49/45/55/351494555.db2.gz AJNWTZUAICQHIB-SNVBAGLBSA-N 1 3 268.361 -0.486 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000061380432 351567255 /nfs/dbraw/zinc/56/72/55/351567255.db2.gz RUQDFCWIFZUXDX-WDEREUQCSA-N 1 3 259.350 -0.942 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062899486 351577139 /nfs/dbraw/zinc/57/71/39/351577139.db2.gz CYGAJIBDEVAPKR-AWEZNQCLSA-N 1 3 268.405 -0.260 20 0 CBADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180333 351580551 /nfs/dbraw/zinc/58/05/51/351580551.db2.gz FFUNUVBLCCJMAZ-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](C(=O)NC1CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180394 351582039 /nfs/dbraw/zinc/58/20/39/351582039.db2.gz SRHYEMINTYZBQQ-MNOVXSKESA-N 1 3 282.388 -0.560 20 0 CBADHO CN1CC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000071184667 351643417 /nfs/dbraw/zinc/64/34/17/351643417.db2.gz GBKRXNILBLYZMU-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073643576 351655501 /nfs/dbraw/zinc/65/55/01/351655501.db2.gz NLAKXSPSJZXOCM-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CN1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077785795 351682431 /nfs/dbraw/zinc/68/24/31/351682431.db2.gz MQOCQMGHWKXMDZ-GFCCVEGCSA-N 1 3 284.404 -0.164 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCn1cncn1 ZINC000077807005 351683842 /nfs/dbraw/zinc/68/38/42/351683842.db2.gz ORTUVTCYUSXTQE-UHFFFAOYSA-N 1 3 297.407 -0.587 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1CCCC1=O ZINC000103213021 351787122 /nfs/dbraw/zinc/78/71/22/351787122.db2.gz YOXAZERRUDYTOV-UHFFFAOYSA-N 1 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C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000178994250 352086943 /nfs/dbraw/zinc/08/69/43/352086943.db2.gz SHEFWNOLZOTCOX-STQMWFEESA-N 1 3 296.415 -0.536 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188783028 352157917 /nfs/dbraw/zinc/15/79/17/352157917.db2.gz PLZDBJCWUNHURX-WCQYABFASA-N 1 3 286.395 -0.171 20 0 CBADHO CC[N@H+](C)CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188744172 352158720 /nfs/dbraw/zinc/15/87/20/352158720.db2.gz WIKIVQGAFNCISY-UHFFFAOYSA-N 1 3 251.334 -0.263 20 0 CBADHO CC[N@@H+](C)CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188744172 352158721 /nfs/dbraw/zinc/15/87/21/352158721.db2.gz WIKIVQGAFNCISY-UHFFFAOYSA-N 1 3 251.334 -0.263 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000221101563 352239988 /nfs/dbraw/zinc/23/99/88/352239988.db2.gz OKFRROWKIOTOHO-HBNTYKKESA-N 1 3 263.407 -0.146 20 0 CBADHO CN1CCC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000226083918 352251622 /nfs/dbraw/zinc/25/16/22/352251622.db2.gz XSDVKNVISZTNOI-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCOCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000234249331 352281742 /nfs/dbraw/zinc/28/17/42/352281742.db2.gz QUOCAGVNYQBQIC-GFCCVEGCSA-N 1 3 256.350 -0.588 20 0 CBADHO CN(C)CCOCCNC(=O)COC1CC[NH2+]CC1 ZINC000234261591 352282039 /nfs/dbraw/zinc/28/20/39/352282039.db2.gz RAOTXUXXQGKSPY-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO COCC1(C(=O)N2CCCNCC2)CC[NH2+]CC1 ZINC000234636789 352283565 /nfs/dbraw/zinc/28/35/65/352283565.db2.gz NAWHGUYHIWGUST-UHFFFAOYSA-N 1 3 255.362 -0.176 20 0 CBADHO CSCC[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000235047379 352286812 /nfs/dbraw/zinc/28/68/12/352286812.db2.gz FZEWMHWUQWLMPX-SNVBAGLBSA-N 1 3 263.407 -0.239 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236724031 352292852 /nfs/dbraw/zinc/29/28/52/352292852.db2.gz UKQUBHWNGSMHIM-AWEZNQCLSA-N 1 3 296.415 -0.264 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000236752767 352293252 /nfs/dbraw/zinc/29/32/52/352293252.db2.gz WZKOTVQKYJKXDZ-OLZOCXBDSA-N 1 3 270.421 -0.031 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236838584 352295324 /nfs/dbraw/zinc/29/53/24/352295324.db2.gz LPMKUIVQAVVJSQ-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236891377 352296386 /nfs/dbraw/zinc/29/63/86/352296386.db2.gz XWZFWESQSYKJJZ-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO COCC[NH2+]CCNC(=O)C[C@H]1CSCCN1 ZINC000237284477 352303165 /nfs/dbraw/zinc/30/31/65/352303165.db2.gz SZPRNHHZSFSWKD-JTQLQIEISA-N 1 3 261.391 -0.566 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261897911 352399581 /nfs/dbraw/zinc/39/95/81/352399581.db2.gz WDWWOEHGQDJBJU-OLZOCXBDSA-N 1 3 285.388 -0.280 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H](O)CN1 ZINC000252408125 352376260 /nfs/dbraw/zinc/37/62/60/352376260.db2.gz IKENJHYZPILXDX-WHOHXGKFSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H](O)CN1 ZINC000252408125 352376263 /nfs/dbraw/zinc/37/62/63/352376263.db2.gz IKENJHYZPILXDX-WHOHXGKFSA-N 1 3 253.346 -0.548 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CNCCO2)CC[N@@H+]1C ZINC000252200863 352376686 /nfs/dbraw/zinc/37/66/86/352376686.db2.gz WGXFCODOPYFEJK-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CNCCO2)CC[N@H+]1C ZINC000252200863 352376691 /nfs/dbraw/zinc/37/66/91/352376691.db2.gz WGXFCODOPYFEJK-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252433652 352377155 /nfs/dbraw/zinc/37/71/55/352377155.db2.gz QDGCCLRCNYENGY-CHWSQXEVSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252433652 352377161 /nfs/dbraw/zinc/37/71/61/352377161.db2.gz QDGCCLRCNYENGY-CHWSQXEVSA-N 1 3 266.389 -0.365 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000252550969 352378473 /nfs/dbraw/zinc/37/84/73/352378473.db2.gz PGUDULZDOMHXST-QJPTWQEYSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252842581 352380589 /nfs/dbraw/zinc/38/05/89/352380589.db2.gz CQXDTYHJPLNBMQ-BJDJZHNGSA-N 1 3 255.362 -0.051 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261668635 352392826 /nfs/dbraw/zinc/39/28/26/352392826.db2.gz ABXPLPQPVHTAHL-XQQFMLRXSA-N 1 3 285.388 -0.280 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261766183 352395544 /nfs/dbraw/zinc/39/55/44/352395544.db2.gz MCEYLUICFFCDHM-NEPJUHHUSA-N 1 3 273.377 -0.423 20 0 CBADHO CC(C)[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804321 352397592 /nfs/dbraw/zinc/39/75/92/352397592.db2.gz HCZURGLBOVBDOR-VHSXEESVSA-N 1 3 296.337 -0.078 20 0 CBADHO CCN1CCN(CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000262638053 352429640 /nfs/dbraw/zinc/42/96/40/352429640.db2.gz IQZZTXXRAOJLHN-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000262721004 352431652 /nfs/dbraw/zinc/43/16/52/352431652.db2.gz FQVGFYXRBQRQKB-UPJWGTAASA-N 1 3 296.415 -0.489 20 0 CBADHO CN1CCN(CCNC2=[NH+]CCCN2)CC1(C)C ZINC000262752383 352432418 /nfs/dbraw/zinc/43/24/18/352432418.db2.gz ACRLCJPZVTURRW-UHFFFAOYSA-N 1 3 253.394 -0.049 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000262778748 352433308 /nfs/dbraw/zinc/43/33/08/352433308.db2.gz KQWPWYZEYBWAHP-AWEZNQCLSA-N 1 3 299.415 -0.079 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]1 ZINC000262892393 352435611 /nfs/dbraw/zinc/43/56/11/352435611.db2.gz OTBLMGYZEPKZEN-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000263243398 352440383 /nfs/dbraw/zinc/44/03/83/352440383.db2.gz MAPQJQSOTCQVHF-WDMOLILDSA-N 1 3 296.415 -0.173 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000263243398 352440386 /nfs/dbraw/zinc/44/03/86/352440386.db2.gz MAPQJQSOTCQVHF-WDMOLILDSA-N 1 3 296.415 -0.173 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@](C)(C[NH3+])C2)CC1=O ZINC000262024321 352404305 /nfs/dbraw/zinc/40/43/05/352404305.db2.gz PAAZTSJYYFVLPY-SWLSCSKDSA-N 1 3 296.415 -0.406 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1=O ZINC000262024318 352404591 /nfs/dbraw/zinc/40/45/91/352404591.db2.gz PAAZTSJYYFVLPY-DOMZBBRYSA-N 1 3 296.415 -0.406 20 0 CBADHO CC(C(=O)N[C@H]1CC[NH2+]CC1(C)C)S(C)(=O)=O ZINC000302395126 352739780 /nfs/dbraw/zinc/73/97/80/352739780.db2.gz GKWOPULEJUXBNB-BDAKNGLRSA-N 1 3 262.375 -0.076 20 0 CBADHO C[NH2+]CCCN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000302249566 352739920 /nfs/dbraw/zinc/73/99/20/352739920.db2.gz KDSPYUZPHYLBFP-UHFFFAOYSA-N 1 3 263.407 -0.048 20 0 CBADHO CNCCC[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000302249566 352739922 /nfs/dbraw/zinc/73/99/22/352739922.db2.gz KDSPYUZPHYLBFP-UHFFFAOYSA-N 1 3 263.407 -0.048 20 0 CBADHO CNCCC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000302249566 352739924 /nfs/dbraw/zinc/73/99/24/352739924.db2.gz KDSPYUZPHYLBFP-UHFFFAOYSA-N 1 3 263.407 -0.048 20 0 CBADHO CC(C(=O)N[C@@H]1CC[NH2+]CC1(C)C)S(C)(=O)=O ZINC000302395129 352740110 /nfs/dbraw/zinc/74/01/10/352740110.db2.gz GKWOPULEJUXBNB-RKDXNWHRSA-N 1 3 262.375 -0.076 20 0 CBADHO CO[C@@H](C[NH3+])CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000311104523 352765859 /nfs/dbraw/zinc/76/58/59/352765859.db2.gz SUNIFRQUPFMXSX-VXGBXAGGSA-N 1 3 255.362 -0.097 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000311092253 352766004 /nfs/dbraw/zinc/76/60/04/352766004.db2.gz ZBMYWWOQDARPIF-UTUOFQBUSA-N 1 3 257.378 -0.115 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000311092253 352766008 /nfs/dbraw/zinc/76/60/08/352766008.db2.gz ZBMYWWOQDARPIF-UTUOFQBUSA-N 1 3 257.378 -0.115 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332192147 352939280 /nfs/dbraw/zinc/93/92/80/352939280.db2.gz BAZGVWYZZPZZPD-RYUDHWBXSA-N 1 3 280.372 -0.887 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370971 353000943 /nfs/dbraw/zinc/00/09/43/353000943.db2.gz MJWWUERTUUNDJR-AHRFKUBPSA-N 1 3 264.373 -0.014 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CNCCO1 ZINC000333730442 353009056 /nfs/dbraw/zinc/00/90/56/353009056.db2.gz WBCKIQBSXLSPJQ-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CNCCO1 ZINC000333730442 353009060 /nfs/dbraw/zinc/00/90/60/353009060.db2.gz WBCKIQBSXLSPJQ-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO C[C@H]1NCCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H]1C ZINC000333839614 353011969 /nfs/dbraw/zinc/01/19/69/353011969.db2.gz NZXOEAVLHDOXEH-VXGBXAGGSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@@]1(CNC(=O)N2CCOC3(CNC3)C2)CCC[NH2+]C1 ZINC000333859713 353012692 /nfs/dbraw/zinc/01/26/92/353012692.db2.gz RUFOZODBHSWPQI-CYBMUJFWSA-N 1 3 282.388 -0.240 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333913156 353013701 /nfs/dbraw/zinc/01/37/01/353013701.db2.gz FQPITZGTXBPKOS-XQQFMLRXSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333913156 353013704 /nfs/dbraw/zinc/01/37/04/353013704.db2.gz FQPITZGTXBPKOS-XQQFMLRXSA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333951321 353014324 /nfs/dbraw/zinc/01/43/24/353014324.db2.gz YXAKGXBTVPXJBG-AVGNSLFASA-N 1 3 284.404 -0.165 20 0 CBADHO CCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336827932 353060818 /nfs/dbraw/zinc/06/08/18/353060818.db2.gz OKGNEABRAJOCED-CYBMUJFWSA-N 1 3 286.420 -0.114 20 0 CBADHO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)CN ZINC000336848848 353063965 /nfs/dbraw/zinc/06/39/65/353063965.db2.gz NLZSUUPIWZYIOJ-LLVKDONJSA-N 1 3 291.351 -0.076 20 0 CBADHO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)CN ZINC000336848848 353063967 /nfs/dbraw/zinc/06/39/67/353063967.db2.gz NLZSUUPIWZYIOJ-LLVKDONJSA-N 1 3 291.351 -0.076 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[NH+](C)C ZINC000336804525 353056241 /nfs/dbraw/zinc/05/62/41/353056241.db2.gz DXODVMOXURKICM-GFCCVEGCSA-N 1 3 272.393 -0.456 20 0 CBADHO CC[NH+](CC)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336804511 353056274 /nfs/dbraw/zinc/05/62/74/353056274.db2.gz DKDYSADIAWVPNI-GFCCVEGCSA-N 1 3 272.393 -0.456 20 0 CBADHO CN(CCCCC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340222653 353158163 /nfs/dbraw/zinc/15/81/63/353158163.db2.gz QDCSEMNACOENFO-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCCCC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340222653 353158166 /nfs/dbraw/zinc/15/81/66/353158166.db2.gz QDCSEMNACOENFO-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH3+])CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000340184499 353154925 /nfs/dbraw/zinc/15/49/25/353154925.db2.gz MIECAGGNDWXRKE-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC000364133102 295856669 /nfs/dbraw/zinc/85/66/69/295856669.db2.gz XCMYJQNYAAJREL-VIFPVBQESA-N 1 3 263.345 -0.073 20 0 CBADHO CNS(=O)(=O)CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342102287 353219265 /nfs/dbraw/zinc/21/92/65/353219265.db2.gz LVOFPDASYGJJGR-QJPTWQEYSA-N 1 3 275.418 -0.015 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C[NH+](C)C ZINC000341230064 353206197 /nfs/dbraw/zinc/20/61/97/353206197.db2.gz OZMQEJVBKGZJRN-OLZOCXBDSA-N 1 3 298.431 -0.290 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000342649780 353225421 /nfs/dbraw/zinc/22/54/21/353225421.db2.gz KFEWIUCUMSNDKQ-JTQLQIEISA-N 1 3 273.377 -0.029 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCC[NH+](C)C)C1 ZINC000342661371 353225853 /nfs/dbraw/zinc/22/58/53/353225853.db2.gz IWFMTFVREFQUJZ-NSHDSACASA-N 1 3 258.366 -0.432 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000342737518 353230593 /nfs/dbraw/zinc/23/05/93/353230593.db2.gz NBELAMNFBYISQP-NEPJUHHUSA-N 1 3 283.372 -0.038 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+](C)C ZINC000343177112 353257780 /nfs/dbraw/zinc/25/77/80/353257780.db2.gz HOLQIIYYSJQKAA-NWDGAFQWSA-N 1 3 254.378 -0.557 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+](C)C ZINC000343177114 353257785 /nfs/dbraw/zinc/25/77/85/353257785.db2.gz HOLQIIYYSJQKAA-VXGBXAGGSA-N 1 3 254.378 -0.557 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCN(C)C1CC1)[N@H+](C)C1CC1 ZINC000343287207 353263955 /nfs/dbraw/zinc/26/39/55/353263955.db2.gz NNGXLDLTRLHQPM-NSHDSACASA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCN(C)C1CC1)[N@@H+](C)C1CC1 ZINC000343287207 353263957 /nfs/dbraw/zinc/26/39/57/353263957.db2.gz NNGXLDLTRLHQPM-NSHDSACASA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000343294882 353264855 /nfs/dbraw/zinc/26/48/55/353264855.db2.gz KBDWCILOUBVSBE-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343309110 353267240 /nfs/dbraw/zinc/26/72/40/353267240.db2.gz VYXUCHPKDSZRLK-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000156752130 188279757 /nfs/dbraw/zinc/27/97/57/188279757.db2.gz NOZYZSMMIIIDEG-NWDGAFQWSA-N 1 3 256.394 -0.277 20 0 CBADHO C[NH+](C)CCOCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000346018697 353358628 /nfs/dbraw/zinc/35/86/28/353358628.db2.gz VGZRRERFKJGOOY-ZDUSSCGKSA-N 1 3 284.404 -0.929 20 0 CBADHO C[C@@H](CC(N)=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061043 353360072 /nfs/dbraw/zinc/36/00/72/353360072.db2.gz FHVFQVZAONJTNA-QWRGUYRKSA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@@H](CC(N)=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000346061043 353360076 /nfs/dbraw/zinc/36/00/76/353360076.db2.gz FHVFQVZAONJTNA-QWRGUYRKSA-N 1 3 270.377 -0.573 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000345717504 353345123 /nfs/dbraw/zinc/34/51/23/353345123.db2.gz OERAOVVMZLLBQB-BDAKNGLRSA-N 1 3 265.304 -0.194 20 0 CBADHO O=C(CCOC1CNC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349004266 353444225 /nfs/dbraw/zinc/44/42/25/353444225.db2.gz RCNODSNIYMWXQI-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCOC1CNC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349004266 353444228 /nfs/dbraw/zinc/44/42/28/353444228.db2.gz RCNODSNIYMWXQI-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)C1(CNC(=O)CCOC2CNC2)CCOCC1 ZINC000349006215 353444724 /nfs/dbraw/zinc/44/47/24/353444724.db2.gz TYIJGEQROVOALY-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[NH2+]C[C@@H]2C)CC1 ZINC000261685760 137697420 /nfs/dbraw/zinc/69/74/20/137697420.db2.gz AIXGFCRKFADVDX-LBPRGKRZSA-N 1 3 268.405 -0.119 20 0 CBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000352806324 353506415 /nfs/dbraw/zinc/50/64/15/353506415.db2.gz PZQQYHOXRYNGTF-KFWWJZLASA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000352806324 353506416 /nfs/dbraw/zinc/50/64/16/353506416.db2.gz PZQQYHOXRYNGTF-KFWWJZLASA-N 1 3 292.427 -0.071 20 0 CBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000354721020 353580167 /nfs/dbraw/zinc/58/01/67/353580167.db2.gz YDOLHFBTJIXITA-OLZOCXBDSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCC(NC(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000358114253 353627176 /nfs/dbraw/zinc/62/71/76/353627176.db2.gz DHGUKOWKBRZFIK-CYBMUJFWSA-N 1 3 284.404 -0.754 20 0 CBADHO [NH3+]C[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000358133301 353628612 /nfs/dbraw/zinc/62/86/12/353628612.db2.gz FNAFWXAALUJULM-AWEZNQCLSA-N 1 3 296.415 -0.611 20 0 CBADHO CS(=O)(=O)NCCN1CCC2(C1)CC[NH2+]CC2 ZINC000358492815 353647622 /nfs/dbraw/zinc/64/76/22/353647622.db2.gz BGVRHZOSJSNLKQ-UHFFFAOYSA-N 1 3 261.391 -0.389 20 0 CBADHO CN([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000363478486 353669774 /nfs/dbraw/zinc/66/97/74/353669774.db2.gz LUKNLUZCCZPGJB-KBPBESRZSA-N 1 3 280.416 -0.025 20 0 CBADHO CC[N@H+](C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371341349 353700558 /nfs/dbraw/zinc/70/05/58/353700558.db2.gz NMNUEWOBMYYAFB-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO CC[N@@H+](C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371341349 353700561 /nfs/dbraw/zinc/70/05/61/353700561.db2.gz NMNUEWOBMYYAFB-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372912759 353724496 /nfs/dbraw/zinc/72/44/96/353724496.db2.gz QKMZOZNJYHMRAW-IXLVHKGHSA-N 1 3 253.346 -0.692 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000372902883 353724503 /nfs/dbraw/zinc/72/45/03/353724503.db2.gz JFJDXYWHGCJSCU-YWPYICTPSA-N 1 3 299.415 -0.129 20 0 CBADHO C[C@@H]1NCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H]1C ZINC000375383583 353759040 /nfs/dbraw/zinc/75/90/40/353759040.db2.gz CXYBGWLAYRWMRU-VTPLQMEGSA-N 1 3 291.399 -0.068 20 0 CBADHO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000375898837 353769369 /nfs/dbraw/zinc/76/93/69/353769369.db2.gz YHWOPFJODBXKKK-IJLUTSLNSA-N 1 3 275.418 -0.002 20 0 CBADHO CCC[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376156785 353772307 /nfs/dbraw/zinc/77/23/07/353772307.db2.gz OIJPSQKXFRQBPE-NWDGAFQWSA-N 1 3 254.378 -0.380 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000373891194 353737612 /nfs/dbraw/zinc/73/76/12/353737612.db2.gz HKBSCXCMUUSZAC-WCBMZHEXSA-N 1 3 263.345 -0.074 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000400151969 353799909 /nfs/dbraw/zinc/79/99/09/353799909.db2.gz BWMBSXILQDQXSM-VWYCJHECSA-N 1 3 261.391 -0.263 20 0 CBADHO CS(=O)(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000400212030 353800548 /nfs/dbraw/zinc/80/05/48/353800548.db2.gz VQPDBXNRAKVMNM-MXWKQRLJSA-N 1 3 261.391 -0.120 20 0 CBADHO CNC(=O)C(C)(C)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000386145240 353787807 /nfs/dbraw/zinc/78/78/07/353787807.db2.gz OFQLLSKLOOZELV-NSHDSACASA-N 1 3 257.378 -0.197 20 0 CBADHO CNC(=O)C(C)(C)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000386145240 353787811 /nfs/dbraw/zinc/78/78/11/353787811.db2.gz OFQLLSKLOOZELV-NSHDSACASA-N 1 3 257.378 -0.197 20 0 CBADHO CN1CCN(C)[C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000388525286 353789890 /nfs/dbraw/zinc/78/98/90/353789890.db2.gz VMQJDUSPRGHYBQ-UONOGXRCSA-N 1 3 270.421 -0.723 20 0 CBADHO CN1CCN(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388525286 353789891 /nfs/dbraw/zinc/78/98/91/353789891.db2.gz VMQJDUSPRGHYBQ-UONOGXRCSA-N 1 3 270.421 -0.723 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CN(C)CCN1C)C1CC1 ZINC000388525286 353789892 /nfs/dbraw/zinc/78/98/92/353789892.db2.gz VMQJDUSPRGHYBQ-UONOGXRCSA-N 1 3 270.421 -0.723 20 0 CBADHO CN(C)C(=O)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000390295340 353791160 /nfs/dbraw/zinc/79/11/60/353791160.db2.gz YBGMRLCJTDKIEJ-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO COCCN(C)CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417088457 353975740 /nfs/dbraw/zinc/97/57/40/353975740.db2.gz HDLCAIZNFXNOGL-BETUJISGSA-N 1 3 284.404 -0.185 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)N(CC[NH3+])CCO ZINC000417035036 353975934 /nfs/dbraw/zinc/97/59/34/353975934.db2.gz SFIMDIUZWHKJQH-GFCCVEGCSA-N 1 3 272.393 -0.177 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)NCCN(C)CCOC ZINC000417437113 353977250 /nfs/dbraw/zinc/97/72/50/353977250.db2.gz GMHMSVAOJHZXQR-NSHDSACASA-N 1 3 260.382 -0.281 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417439642 353977766 /nfs/dbraw/zinc/97/77/66/353977766.db2.gz MJAADGVWMWAPSX-SNVBAGLBSA-N 1 3 294.346 -0.139 20 0 CBADHO CCN(CCNC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000417489110 353977968 /nfs/dbraw/zinc/97/79/68/353977968.db2.gz PWNGQBMDMBXYLT-UHFFFAOYSA-N 1 3 283.420 -0.325 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)NCCN(C)CCOC)C1 ZINC000417442502 353978009 /nfs/dbraw/zinc/97/80/09/353978009.db2.gz UVTYUNDVVGJTCS-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417569166 353980123 /nfs/dbraw/zinc/98/01/23/353980123.db2.gz QBONQDLTTWQKHM-NEPJUHHUSA-N 1 3 272.393 -0.009 20 0 CBADHO CN(CCNC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000417629651 353981069 /nfs/dbraw/zinc/98/10/69/353981069.db2.gz SMJGJESATUNXPC-UHFFFAOYSA-N 1 3 269.393 -0.715 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000417709420 353981799 /nfs/dbraw/zinc/98/17/99/353981799.db2.gz OVCQHHNOUJZXAH-LLVKDONJSA-N 1 3 270.377 -0.112 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000417715912 353982289 /nfs/dbraw/zinc/98/22/89/353982289.db2.gz TWYJNSPOWSIAJT-VXGBXAGGSA-N 1 3 270.377 -0.256 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000417708045 353982338 /nfs/dbraw/zinc/98/23/38/353982338.db2.gz OABWALLSQQSSGL-NWDGAFQWSA-N 1 3 272.393 -0.138 20 0 CBADHO CN(C(=O)CNC[C@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000417828026 353983840 /nfs/dbraw/zinc/98/38/40/353983840.db2.gz FAXRAHURRYYHTC-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCCN1C ZINC000418008755 353986593 /nfs/dbraw/zinc/98/65/93/353986593.db2.gz SROOCKPWBCQLMI-FRRDWIJNSA-N 1 3 283.420 -0.328 20 0 CBADHO C[C@H]1NCCN(C(=O)NCCOCC[NH+](C)C)[C@@H]1C ZINC000418073984 353987412 /nfs/dbraw/zinc/98/74/12/353987412.db2.gz XDYSOXCJULOVEU-VXGBXAGGSA-N 1 3 272.393 -0.044 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328046 353993908 /nfs/dbraw/zinc/99/39/08/353993908.db2.gz AJXZSJWTUFHFLZ-CHWSQXEVSA-N 1 3 286.420 -0.012 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418362984 353995200 /nfs/dbraw/zinc/99/52/00/353995200.db2.gz BQBSKUGAAORVBK-QWHCGFSZSA-N 1 3 286.420 -0.012 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418362982 353995250 /nfs/dbraw/zinc/99/52/50/353995250.db2.gz BQBSKUGAAORVBK-OLZOCXBDSA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NCCNc1ccncc1)N[C@@H]1CCC[NH2+]C1 ZINC000418387303 353996039 /nfs/dbraw/zinc/99/60/39/353996039.db2.gz SYSODURJFNCDIL-GFCCVEGCSA-N 1 3 263.345 -0.033 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCCN1CCO ZINC000418379732 353996204 /nfs/dbraw/zinc/99/62/04/353996204.db2.gz WGNQEGUSKLZOGQ-OLZOCXBDSA-N 1 3 284.404 -0.116 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419243282 354041248 /nfs/dbraw/zinc/04/12/48/354041248.db2.gz SJASDNMORYGTTP-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419243653 354041271 /nfs/dbraw/zinc/04/12/71/354041271.db2.gz SQQWKOGAQVMQEN-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000418470009 353998158 /nfs/dbraw/zinc/99/81/58/353998158.db2.gz QFZSHVYKFSADPJ-AAEUAGOBSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418427769 353998294 /nfs/dbraw/zinc/99/82/94/353998294.db2.gz OUDFCIFAWHKIRW-GFCCVEGCSA-N 1 3 274.409 -0.027 20 0 CBADHO [NH3+][C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C1CC1 ZINC000418494365 353998903 /nfs/dbraw/zinc/99/89/03/353998903.db2.gz XSZZPDNRPRICAU-STQMWFEESA-N 1 3 284.404 -0.130 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418492072 353998925 /nfs/dbraw/zinc/99/89/25/353998925.db2.gz PCJLBYVXYSOZEY-LLVKDONJSA-N 1 3 260.382 -0.199 20 0 CBADHO CCC[NH2+]CCNC(=O)NC[C@](C)(O)CN(C)C ZINC000418481542 353999525 /nfs/dbraw/zinc/99/95/25/353999525.db2.gz TYEYQNVBUNKAOX-LBPRGKRZSA-N 1 3 260.382 -0.402 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCC1 ZINC000419246762 354041878 /nfs/dbraw/zinc/04/18/78/354041878.db2.gz WJKDSLWRKDZMLR-LLVKDONJSA-N 1 3 282.388 -0.560 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418509792 354000483 /nfs/dbraw/zinc/00/04/83/354000483.db2.gz HABXQVJNNISJKM-GFCCVEGCSA-N 1 3 299.419 -0.471 20 0 CBADHO CCN(CCO)CCNC(=O)NCC1([NH3+])CCC1 ZINC000418506584 354000502 /nfs/dbraw/zinc/00/05/02/354000502.db2.gz HAVHLKDBCSDBCF-UHFFFAOYSA-N 1 3 258.366 -0.519 20 0 CBADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CNCCO1)C1CCCC1 ZINC000418598164 354003494 /nfs/dbraw/zinc/00/34/94/354003494.db2.gz QIKSLNXSFXZBJZ-RYUDHWBXSA-N 1 3 270.377 -0.209 20 0 CBADHO COC[C@@]1(CNC(=O)NCCN(C)C)CCC[NH2+]1 ZINC000418652979 354005121 /nfs/dbraw/zinc/00/51/21/354005121.db2.gz JZSDEMAXNHRJEK-LBPRGKRZSA-N 1 3 258.366 -0.384 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418739579 354006283 /nfs/dbraw/zinc/00/62/83/354006283.db2.gz YVKHRASHYCCQIO-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418763048 354007814 /nfs/dbraw/zinc/00/78/14/354007814.db2.gz JIAZIRVSHCNMMQ-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418830699 354010749 /nfs/dbraw/zinc/01/07/49/354010749.db2.gz JSYLCPYUDIWWOC-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC[NH3+])N(C)Cc1ccccc1 ZINC000418971033 354017343 /nfs/dbraw/zinc/01/73/43/354017343.db2.gz XBASSLOJIJCXHA-GFCCVEGCSA-N 1 3 292.383 -0.302 20 0 CBADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419000351 354022060 /nfs/dbraw/zinc/02/20/60/354022060.db2.gz OFRXZWLLDPLFPR-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419018914 354023871 /nfs/dbraw/zinc/02/38/71/354023871.db2.gz CVUSIUXPAPZSSG-LPWJVIDDSA-N 1 3 298.431 -0.068 20 0 CBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027303 354025447 /nfs/dbraw/zinc/02/54/47/354025447.db2.gz OMOPDNNSYBJPGW-GRYCIOLGSA-N 1 3 284.404 -0.456 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[NH3+] ZINC000419080881 354027342 /nfs/dbraw/zinc/02/73/42/354027342.db2.gz QKRHNOHHGITRCG-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419096062 354028688 /nfs/dbraw/zinc/02/86/88/354028688.db2.gz DEHAZISIVQWGDH-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000419103006 354028731 /nfs/dbraw/zinc/02/87/31/354028731.db2.gz LKFOQLDKJSHOTC-LLVKDONJSA-N 1 3 270.377 -0.704 20 0 CBADHO CN(CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419111762 354028919 /nfs/dbraw/zinc/02/89/19/354028919.db2.gz UNYROMFPFXXTKL-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419126181 354029676 /nfs/dbraw/zinc/02/96/76/354029676.db2.gz VQZZHEWKXDGLAI-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN(C)C1CC1 ZINC000419114444 354029966 /nfs/dbraw/zinc/02/99/66/354029966.db2.gz XGSVETBRJSFFBG-LLVKDONJSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419138712 354030426 /nfs/dbraw/zinc/03/04/26/354030426.db2.gz REJQAUJTPRCWKK-UTUOFQBUSA-N 1 3 284.404 -0.219 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419138171 354030761 /nfs/dbraw/zinc/03/07/61/354030761.db2.gz QKGIIIWZDOZYGN-YNEHKIRRSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC[NH3+])N1CCC(C)CC1 ZINC000419159765 354034400 /nfs/dbraw/zinc/03/44/00/354034400.db2.gz OMNXFHYJFUIPTL-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419585683 354063434 /nfs/dbraw/zinc/06/34/34/354063434.db2.gz LXTSSSNJRSPYDJ-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419583976 354063501 /nfs/dbraw/zinc/06/35/01/354063501.db2.gz KUJCEOURJARHRE-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419579895 354064295 /nfs/dbraw/zinc/06/42/95/354064295.db2.gz GXNUMRNJHGXAJA-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419589627 354065109 /nfs/dbraw/zinc/06/51/09/354065109.db2.gz PIKOVVYAYVGDBW-SNVBAGLBSA-N 1 3 256.350 -0.948 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000419593581 354065428 /nfs/dbraw/zinc/06/54/28/354065428.db2.gz SWMMJACYZAIGLS-YPMHNXCESA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N(C)C1CC1 ZINC000419596039 354065498 /nfs/dbraw/zinc/06/54/98/354065498.db2.gz XLCRUBNNTUPTBI-NSHDSACASA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419592095 354065542 /nfs/dbraw/zinc/06/55/42/354065542.db2.gz RVNVRZJEVDQTEK-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419692760 354070099 /nfs/dbraw/zinc/07/00/99/354070099.db2.gz HFHZYSUGKVLRCS-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419740851 354074940 /nfs/dbraw/zinc/07/49/40/354074940.db2.gz YMIZSQSUCPCBDB-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NCCC[NH3+] ZINC000419764801 354075802 /nfs/dbraw/zinc/07/58/02/354075802.db2.gz PSBCYWGXTYSZKV-UHFFFAOYSA-N 1 3 258.366 -0.701 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419769688 354076575 /nfs/dbraw/zinc/07/65/75/354076575.db2.gz VUZCVVYTRPJTNP-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC[NH3+] ZINC000419838373 354083479 /nfs/dbraw/zinc/08/34/79/354083479.db2.gz OAEBOGQIQNWCPK-UHFFFAOYSA-N 1 3 286.420 -0.112 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[NH3+])N1CCC[C@H](C)C1 ZINC000419839249 354083500 /nfs/dbraw/zinc/08/35/00/354083500.db2.gz QBUYNVNNTKWJDT-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419849088 354084493 /nfs/dbraw/zinc/08/44/93/354084493.db2.gz WTJZBRQGHYWKQK-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419851431 354085051 /nfs/dbraw/zinc/08/50/51/354085051.db2.gz IWLFQHMZXVCDAD-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862211 354086031 /nfs/dbraw/zinc/08/60/31/354086031.db2.gz MWHUBWNZANXETF-ZDUSSCGKSA-N 1 3 298.431 -0.114 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419285502 354044294 /nfs/dbraw/zinc/04/42/94/354044294.db2.gz MNDNVIBPYYBPKL-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419401435 354050560 /nfs/dbraw/zinc/05/05/60/354050560.db2.gz BBDODVLOFOPEDU-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419403016 354051453 /nfs/dbraw/zinc/05/14/53/354051453.db2.gz CZCLNDPKKYNWTD-YPMHNXCESA-N 1 3 296.415 -0.312 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419404614 354051603 /nfs/dbraw/zinc/05/16/03/354051603.db2.gz GIVCRSKDRYZTPS-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419412664 354052420 /nfs/dbraw/zinc/05/24/20/354052420.db2.gz RDVLAOPYZIBOAN-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419415132 354052458 /nfs/dbraw/zinc/05/24/58/354052458.db2.gz USTQTHBGSHAMRG-GFCCVEGCSA-N 1 3 282.388 -0.687 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419409623 354052494 /nfs/dbraw/zinc/05/24/94/354052494.db2.gz NFRYIYQMUVTYNY-QWHCGFSZSA-N 1 3 298.431 -0.194 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419411048 354052524 /nfs/dbraw/zinc/05/25/24/354052524.db2.gz PTUGYQIRWVSYTL-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCN)C1 ZINC000419423444 354053533 /nfs/dbraw/zinc/05/35/33/354053533.db2.gz NJFLYWHGTJSUCV-VXGBXAGGSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419421145 354053665 /nfs/dbraw/zinc/05/36/65/354053665.db2.gz LHFIRQKTEGPWDG-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419419928 354053808 /nfs/dbraw/zinc/05/38/08/354053808.db2.gz JILHMTVHXXZPQN-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419432680 354054639 /nfs/dbraw/zinc/05/46/39/354054639.db2.gz YPQKXNJDWVECGL-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000419502245 354056443 /nfs/dbraw/zinc/05/64/43/354056443.db2.gz CLYLYFYVGBLMKZ-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419530420 354058131 /nfs/dbraw/zinc/05/81/31/354058131.db2.gz ZHUNOYIBVWGHDM-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN ZINC000419528938 354058275 /nfs/dbraw/zinc/05/82/75/354058275.db2.gz XCRISCNIECYDTC-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN ZINC000419528938 354058278 /nfs/dbraw/zinc/05/82/78/354058278.db2.gz XCRISCNIECYDTC-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000419530289 354058384 /nfs/dbraw/zinc/05/83/84/354058384.db2.gz YUKSZGWZPOYHBW-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419537170 354059670 /nfs/dbraw/zinc/05/96/70/354059670.db2.gz CGMZFBLGEKOAAS-ZJUUUORDSA-N 1 3 272.393 -0.458 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419537168 354059705 /nfs/dbraw/zinc/05/97/05/354059705.db2.gz CGMZFBLGEKOAAS-UWVGGRQHSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419887387 354089572 /nfs/dbraw/zinc/08/95/72/354089572.db2.gz JDJKSBKTCLMYDO-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419887257 354090157 /nfs/dbraw/zinc/09/01/57/354090157.db2.gz DEXKYOOSKYZYIP-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419895498 354090774 /nfs/dbraw/zinc/09/07/74/354090774.db2.gz OXELPAKESNCDBP-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000419896683 354090882 /nfs/dbraw/zinc/09/08/82/354090882.db2.gz UWYYNEOMBDXBQA-UHFFFAOYSA-N 1 3 270.377 -0.735 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000419893403 354091059 /nfs/dbraw/zinc/09/10/59/354091059.db2.gz PYAIMNBBKWIXCY-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000419898203 354091736 /nfs/dbraw/zinc/09/17/36/354091736.db2.gz BOIDBUXAPBLDPF-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000419898202 354092091 /nfs/dbraw/zinc/09/20/91/354092091.db2.gz BOIDBUXAPBLDPF-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000419927451 354094444 /nfs/dbraw/zinc/09/44/44/354094444.db2.gz CSHWODFTCOHOHS-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419948665 354095353 /nfs/dbraw/zinc/09/53/53/354095353.db2.gz KLWYTKWGASYYNW-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419945096 354095417 /nfs/dbraw/zinc/09/54/17/354095417.db2.gz BZSJHJUEVXJNMT-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419954423 354096424 /nfs/dbraw/zinc/09/64/24/354096424.db2.gz LWVUNNXOQFLGBE-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000419964316 354098043 /nfs/dbraw/zinc/09/80/43/354098043.db2.gz FTXOLDBXQVJZOA-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419966383 354098093 /nfs/dbraw/zinc/09/80/93/354098093.db2.gz ZQZXQYWRXDMJHP-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000420021004 354103266 /nfs/dbraw/zinc/10/32/66/354103266.db2.gz GRGPEWNTXIFGKK-TUAOUCFPSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000420026835 354103835 /nfs/dbraw/zinc/10/38/35/354103835.db2.gz JUEBIFWOHHQKDQ-SRVKXCTJSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420034774 354104145 /nfs/dbraw/zinc/10/41/45/354104145.db2.gz JPJYHUGPNAQKCR-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420028508 354104315 /nfs/dbraw/zinc/10/43/15/354104315.db2.gz HHHAIDAHGFLMAO-QWHCGFSZSA-N 1 3 296.415 -0.219 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420068423 354107529 /nfs/dbraw/zinc/10/75/29/354107529.db2.gz UVRJJPOFBAETNH-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086896 354108116 /nfs/dbraw/zinc/10/81/16/354108116.db2.gz DWNOWVSWOFVDFX-UHFFFAOYSA-N 1 3 282.388 -0.462 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CCN(C)C ZINC000420078192 354108389 /nfs/dbraw/zinc/10/83/89/354108389.db2.gz DVTYQLDMAIXMTG-UHFFFAOYSA-N 1 3 272.393 -0.360 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420299333 354122036 /nfs/dbraw/zinc/12/20/36/354122036.db2.gz ASOCNCZNIPNTCL-MELADBBJSA-N 1 3 280.416 -0.180 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420317618 354123066 /nfs/dbraw/zinc/12/30/66/354123066.db2.gz ZQXVVDSGACSNAA-MNOVXSKESA-N 1 3 271.361 -0.323 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC(=O)N1CCNCC1 ZINC000420366287 354125528 /nfs/dbraw/zinc/12/55/28/354125528.db2.gz LZZNXXVSDZIPSS-MBNYWOFBSA-N 1 3 268.405 -0.216 20 0 CBADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000420366287 354125533 /nfs/dbraw/zinc/12/55/33/354125533.db2.gz LZZNXXVSDZIPSS-MBNYWOFBSA-N 1 3 268.405 -0.216 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000423217943 354165579 /nfs/dbraw/zinc/16/55/79/354165579.db2.gz SVORXEAWBWFUAA-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423294917 354166574 /nfs/dbraw/zinc/16/65/74/354166574.db2.gz VPVKRPWJFPGJFQ-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423377374 354173901 /nfs/dbraw/zinc/17/39/01/354173901.db2.gz LNWXJAFNHJCEHP-UHFFFAOYSA-N 1 3 296.415 -0.392 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422268774 354144405 /nfs/dbraw/zinc/14/44/05/354144405.db2.gz KTQAJJRYCYBTQE-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422268775 354144735 /nfs/dbraw/zinc/14/47/35/354144735.db2.gz KTQAJJRYCYBTQE-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422534786 354148219 /nfs/dbraw/zinc/14/82/19/354148219.db2.gz BNVBCKNYHAQBSH-CZXHOFHRSA-N 1 3 298.431 -0.082 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423058943 354161071 /nfs/dbraw/zinc/16/10/71/354161071.db2.gz DKNGTVRKVPPVQU-AVGNSLFASA-N 1 3 296.415 -0.408 20 0 CBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN ZINC000423518910 354178653 /nfs/dbraw/zinc/17/86/53/354178653.db2.gz PKLSKYUSMJOBLS-UHFFFAOYSA-N 1 3 272.393 -0.406 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423526274 354179129 /nfs/dbraw/zinc/17/91/29/354179129.db2.gz QDCADMSIXMHCIQ-TXEJJXNPSA-N 1 3 294.399 -0.783 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000423716161 354193035 /nfs/dbraw/zinc/19/30/35/354193035.db2.gz IASDAMKCUSBIRY-NWDGAFQWSA-N 1 3 284.404 -0.265 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423747118 354195844 /nfs/dbraw/zinc/19/58/44/354195844.db2.gz RUPOEPNWJCIRLF-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO O=C(COC1CNC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423926226 354205453 /nfs/dbraw/zinc/20/54/53/354205453.db2.gz CVMVGBJMCCCSRN-UONOGXRCSA-N 1 3 275.352 -0.153 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)CC1=O ZINC000423941847 354206371 /nfs/dbraw/zinc/20/63/71/354206371.db2.gz DFBAQGFLJYHSNE-QWHCGFSZSA-N 1 3 296.415 -0.408 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)C(C)C ZINC000423501247 354178532 /nfs/dbraw/zinc/17/85/32/354178532.db2.gz JCDYWEDXJRVUAO-UHFFFAOYSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000430877302 354250739 /nfs/dbraw/zinc/25/07/39/354250739.db2.gz WMLUVKQTVSFSPB-LBPRGKRZSA-N 1 3 282.388 -0.510 20 0 CBADHO CNS(=O)(=O)CCCN[C@@](C)(C[NH3+])C(C)C ZINC000430578788 354250893 /nfs/dbraw/zinc/25/08/93/354250893.db2.gz FRAWANDEJZZHIR-JTQLQIEISA-N 1 3 251.396 -0.111 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)[NH3+])CN1CCN(C)CC1 ZINC000431002981 354251476 /nfs/dbraw/zinc/25/14/76/354251476.db2.gz FAUDVJKYCPHOHV-NSHDSACASA-N 1 3 256.394 -0.277 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000444264054 354266454 /nfs/dbraw/zinc/26/64/54/354266454.db2.gz BSIZCCMCCBBMGJ-YCPHGPKFSA-N 1 3 294.443 -0.014 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226058 354220399 /nfs/dbraw/zinc/22/03/99/354220399.db2.gz NUOHYNKPHOFVFU-TVYUQYBPSA-N 1 3 277.372 -0.186 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226056 354220489 /nfs/dbraw/zinc/22/04/89/354220489.db2.gz NUOHYNKPHOFVFU-JIMOISOXSA-N 1 3 277.372 -0.186 20 0 CBADHO COCC(C)(C)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000424289888 354222383 /nfs/dbraw/zinc/22/23/83/354222383.db2.gz CPLHDKQTGJOXAN-UHFFFAOYSA-N 1 3 284.448 -0.066 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000447436579 354298856 /nfs/dbraw/zinc/29/88/56/354298856.db2.gz ADOBDMVSULDHMT-ZMLRMANQSA-N 1 3 255.362 -0.051 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N(C)C2(C[NH3+])CCC2)CC1=O ZINC000449685045 354320434 /nfs/dbraw/zinc/32/04/34/354320434.db2.gz MQSBXWRKERHFGC-LBPRGKRZSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000449601669 354320810 /nfs/dbraw/zinc/32/08/10/354320810.db2.gz NNSPVJQFDGZYIK-DCAQKATOSA-N 1 3 270.377 -0.752 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)N(C)C ZINC000449695612 354321532 /nfs/dbraw/zinc/32/15/32/354321532.db2.gz IVKURAKWQIJRFM-VXGBXAGGSA-N 1 3 256.394 -0.408 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449749896 354321923 /nfs/dbraw/zinc/32/19/23/354321923.db2.gz HDTWULNYJYGZGB-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)S(C)(=O)=O ZINC000462892595 354398715 /nfs/dbraw/zinc/39/87/15/354398715.db2.gz JSIDOENSWVMNAB-INTQDDNPSA-N 1 3 274.386 -0.076 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000487237209 354412675 /nfs/dbraw/zinc/41/26/75/354412675.db2.gz XWPBJUCBFSYDTH-NEPJUHHUSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000487237209 354412676 /nfs/dbraw/zinc/41/26/76/354412676.db2.gz XWPBJUCBFSYDTH-NEPJUHHUSA-N 1 3 257.378 -0.122 20 0 CBADHO CN1CCN(CCCNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491896258 354462317 /nfs/dbraw/zinc/46/23/17/354462317.db2.gz ZANBUAXOYZBJTG-GQCTYLIASA-N 1 3 268.405 -0.142 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000519403083 354560938 /nfs/dbraw/zinc/56/09/38/354560938.db2.gz PXIAKVYYYBICNC-VXGBXAGGSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000535715293 354602335 /nfs/dbraw/zinc/60/23/35/354602335.db2.gz JXPLZVLJNYBKRU-HIFRSBDPSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000535715293 354602338 /nfs/dbraw/zinc/60/23/38/354602338.db2.gz JXPLZVLJNYBKRU-HIFRSBDPSA-N 1 3 292.427 -0.023 20 0 CBADHO CC[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519635691 354565602 /nfs/dbraw/zinc/56/56/02/354565602.db2.gz AIUIEOUJOPZCPJ-FRRDWIJNSA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000546590482 354653686 /nfs/dbraw/zinc/65/36/86/354653686.db2.gz BXFBFWMGJTWCQE-DOMZBBRYSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000546590482 354653687 /nfs/dbraw/zinc/65/36/87/354653687.db2.gz BXFBFWMGJTWCQE-DOMZBBRYSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000547296323 354657524 /nfs/dbraw/zinc/65/75/24/354657524.db2.gz XIDABEJPAWDJOR-YDHLFZDLSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000547296323 354657527 /nfs/dbraw/zinc/65/75/27/354657527.db2.gz XIDABEJPAWDJOR-YDHLFZDLSA-N 1 3 296.415 -0.021 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000537567800 354610195 /nfs/dbraw/zinc/61/01/95/354610195.db2.gz YPAAMQCFTRONAG-QLFBSQMISA-N 1 3 285.432 -0.049 20 0 CBADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000547535409 354662696 /nfs/dbraw/zinc/66/26/96/354662696.db2.gz NTVHMRLLXZJBNC-UHFFFAOYSA-N 1 3 297.403 -0.006 20 0 CBADHO COC[C@]1(CNC(=O)N2CCN(C)C[C@H]2CN)CCC[NH2+]1 ZINC000562815805 354688406 /nfs/dbraw/zinc/68/84/06/354688406.db2.gz BFHSNTYVUDCHCD-TZMCWYRMSA-N 1 3 299.419 -0.961 20 0 CBADHO COCC1(CNC(=O)CNC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000562977769 354690569 /nfs/dbraw/zinc/69/05/69/354690569.db2.gz NDOLCSCBJLSLBH-ZDUSSCGKSA-N 1 3 299.415 -0.113 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)C12CCC[NH+]1CCC2 ZINC000562981395 354691099 /nfs/dbraw/zinc/69/10/99/354691099.db2.gz IUFLVPHZZMEIDT-NSHDSACASA-N 1 3 253.346 -0.281 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCC[C@H]1CC[NH2+]C1 ZINC000563100220 354696589 /nfs/dbraw/zinc/69/65/89/354696589.db2.gz XBOYOOSXFSLYHQ-VXGBXAGGSA-N 1 3 255.362 -0.129 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563106946 354696935 /nfs/dbraw/zinc/69/69/35/354696935.db2.gz YEDZKTFIPJDAMK-MNOVXSKESA-N 1 3 270.377 -0.717 20 0 CBADHO C[C@H](C(=O)NC(N)=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153678 354699792 /nfs/dbraw/zinc/69/97/92/354699792.db2.gz DMONATIIWCUNGD-OUAUKWLOSA-N 1 3 268.361 -0.109 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccn(C)n1 ZINC000563762152 354705134 /nfs/dbraw/zinc/70/51/34/354705134.db2.gz NYMWDHNNFIARMH-UHFFFAOYSA-N 1 3 281.404 -0.086 20 0 CBADHO C[C@H]1CCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564456792 354712829 /nfs/dbraw/zinc/71/28/29/354712829.db2.gz ORYCOFVIUXDVGQ-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000564798906 354717473 /nfs/dbraw/zinc/71/74/73/354717473.db2.gz AANAKAMOGZWTLE-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO CN(CC[C@H]1CC[NH2+]C1)CC(=O)N1CCNCC1 ZINC000564988091 354725019 /nfs/dbraw/zinc/72/50/19/354725019.db2.gz FSEFRKLWZRPNNA-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000565775559 354745918 /nfs/dbraw/zinc/74/59/18/354745918.db2.gz YTRUONQMNOXDFZ-MNOVXSKESA-N 1 3 274.386 -0.205 20 0 CBADHO CN(C)CCOCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000565831812 354746589 /nfs/dbraw/zinc/74/65/89/354746589.db2.gz HFTWEVWUROKCHQ-LLVKDONJSA-N 1 3 295.387 -0.205 20 0 CBADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000567582939 354790960 /nfs/dbraw/zinc/79/09/60/354790960.db2.gz DYVIFITXOVVMIH-RRFJBIMHSA-N 1 3 292.427 -0.071 20 0 CBADHO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000567582939 354790961 /nfs/dbraw/zinc/79/09/61/354790961.db2.gz DYVIFITXOVVMIH-RRFJBIMHSA-N 1 3 292.427 -0.071 20 0 CBADHO CCCN(C(=O)[C@H](N)CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000566237178 354759041 /nfs/dbraw/zinc/75/90/41/354759041.db2.gz MJTDNSNZQCCVSQ-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000566296075 354762491 /nfs/dbraw/zinc/76/24/91/354762491.db2.gz OUHDRAFXKMHLPO-HZSPNIEDSA-N 1 3 298.431 -0.495 20 0 CBADHO CN(C)CCn1ccc(C(=O)NCCOCC[NH+](C)C)n1 ZINC000566450661 354767367 /nfs/dbraw/zinc/76/73/67/354767367.db2.gz IVGSUWCAXGKHTL-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO CO[C@H](CN)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000567604782 354791735 /nfs/dbraw/zinc/79/17/35/354791735.db2.gz BRQIDQDQXGNRAM-BXKDBHETSA-N 1 3 264.329 -0.190 20 0 CBADHO C[C@H](O)[C@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000566792099 354774553 /nfs/dbraw/zinc/77/45/53/354774553.db2.gz KLVAUBSGPYSZHI-SDDRHHMPSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@H](O)[C@H](C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000566792099 354774556 /nfs/dbraw/zinc/77/45/56/354774556.db2.gz KLVAUBSGPYSZHI-SDDRHHMPSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000566859141 354776430 /nfs/dbraw/zinc/77/64/30/354776430.db2.gz NLBVQMYUYGZIJK-QWRGUYRKSA-N 1 3 270.377 -0.430 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567096265 354780237 /nfs/dbraw/zinc/78/02/37/354780237.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 1 3 295.431 -0.247 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567096267 354780705 /nfs/dbraw/zinc/78/07/05/354780705.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 1 3 295.431 -0.247 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000567112001 354781406 /nfs/dbraw/zinc/78/14/06/354781406.db2.gz JJBQLHCRHIUHHY-BDAKNGLRSA-N 1 3 257.334 -0.476 20 0 CBADHO C[C@H](NC(=O)C[C@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC000567267812 354784818 /nfs/dbraw/zinc/78/48/18/354784818.db2.gz QCRGFHOKFILCFQ-TUAOUCFPSA-N 1 3 255.362 -0.131 20 0 CBADHO O=C(COC1CNC1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567383638 354786945 /nfs/dbraw/zinc/78/69/45/354786945.db2.gz PDSQRDZFMXFIRA-UHFFFAOYSA-N 1 3 291.355 -0.582 20 0 CBADHO C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000567478680 354788945 /nfs/dbraw/zinc/78/89/45/354788945.db2.gz NFQRFZOYNDQLEY-QWRGUYRKSA-N 1 3 257.382 -0.779 20 0 CBADHO COCCN1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000565373131 354737401 /nfs/dbraw/zinc/73/74/01/354737401.db2.gz NKZFOOOVADLCAL-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000565596940 354741065 /nfs/dbraw/zinc/74/10/65/354741065.db2.gz PIFBBOLUHPDSBB-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000567880066 354802467 /nfs/dbraw/zinc/80/24/67/354802467.db2.gz AYQXOECRBOQTDD-YFKTTZPYSA-N 1 3 284.404 -0.173 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@H](CO)CN1CCCC1)C1CC1 ZINC000567874435 354802756 /nfs/dbraw/zinc/80/27/56/354802756.db2.gz NQLGCIYXCDVRNL-GXTWGEPZSA-N 1 3 271.405 -0.512 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@H](CO)CN1CCCC1)C1CC1 ZINC000567874435 354802757 /nfs/dbraw/zinc/80/27/57/354802757.db2.gz NQLGCIYXCDVRNL-GXTWGEPZSA-N 1 3 271.405 -0.512 20 0 CBADHO CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568267712 354819287 /nfs/dbraw/zinc/81/92/87/354819287.db2.gz LONQKSREJCTVAB-MXWKQRLJSA-N 1 3 268.361 -0.855 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C3(C[NH3+])CCCC3)CCN2C1=O ZINC000568264937 354819360 /nfs/dbraw/zinc/81/93/60/354819360.db2.gz HRNQAPPRKPLROB-QWRGUYRKSA-N 1 3 280.372 -0.724 20 0 CBADHO C[NH2+]C[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000568270106 354819445 /nfs/dbraw/zinc/81/94/45/354819445.db2.gz PFQHLVFBZGLVKW-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000568629018 354828877 /nfs/dbraw/zinc/82/88/77/354828877.db2.gz UHECXFIEPSASJG-GRYCIOLGSA-N 1 3 255.362 -0.131 20 0 CBADHO CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1 ZINC000568749333 354831256 /nfs/dbraw/zinc/83/12/56/354831256.db2.gz WDYUEVHZKGGHIE-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000567715604 354794347 /nfs/dbraw/zinc/79/43/47/354794347.db2.gz KJQHLRZFEZDMOF-WDEREUQCSA-N 1 3 255.366 -0.977 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000567717628 354794750 /nfs/dbraw/zinc/79/47/50/354794750.db2.gz XJBOYPKXBBAPQN-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CNCCO1 ZINC000567725778 354795669 /nfs/dbraw/zinc/79/56/69/354795669.db2.gz JVCJUZOJNKITDD-ZJUUUORDSA-N 1 3 259.375 -0.814 20 0 CBADHO NC(=O)CC[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000570710417 354867646 /nfs/dbraw/zinc/86/76/46/354867646.db2.gz ZIMSVMQREWDJIR-SNVBAGLBSA-N 1 3 256.350 -0.961 20 0 CBADHO NC(=O)CCNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570710417 354867648 /nfs/dbraw/zinc/86/76/48/354867648.db2.gz ZIMSVMQREWDJIR-SNVBAGLBSA-N 1 3 256.350 -0.961 20 0 CBADHO NC(=O)CCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570710417 354867649 /nfs/dbraw/zinc/86/76/49/354867649.db2.gz ZIMSVMQREWDJIR-SNVBAGLBSA-N 1 3 256.350 -0.961 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570825169 354870430 /nfs/dbraw/zinc/87/04/30/354870430.db2.gz YNTUNPUYAZCUFF-AVGNSLFASA-N 1 3 269.389 -0.006 20 0 CBADHO CC(C)(C(N)=O)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000570850323 354871557 /nfs/dbraw/zinc/87/15/57/354871557.db2.gz WEBSQPWUALCYFR-GFCCVEGCSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000570912895 354872694 /nfs/dbraw/zinc/87/26/94/354872694.db2.gz MTCJKXYYUDSWQF-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncn1C ZINC000569171358 354839382 /nfs/dbraw/zinc/83/93/82/354839382.db2.gz DXBPPJWTYXGXQX-UHFFFAOYSA-N 1 3 267.377 -0.015 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569220771 354839954 /nfs/dbraw/zinc/83/99/54/354839954.db2.gz DCGAOTYHIOEYGP-XQQFMLRXSA-N 1 3 267.373 -0.177 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2C[NH2+]CCO2)C1(C)C ZINC000569240493 354840956 /nfs/dbraw/zinc/84/09/56/354840956.db2.gz DSDNMYDPCGGJSK-WDMOLILDSA-N 1 3 285.388 -0.377 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000569327503 354841875 /nfs/dbraw/zinc/84/18/75/354841875.db2.gz RRLAMFFDTRSJDC-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@@H]1CCCN(CCOCC[NH3+])C1)S(C)(=O)=O ZINC000569811291 354847468 /nfs/dbraw/zinc/84/74/68/354847468.db2.gz QLTRMGHLFFDNJL-LBPRGKRZSA-N 1 3 293.433 -0.435 20 0 CBADHO CCOC[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960522 354850578 /nfs/dbraw/zinc/85/05/78/354850578.db2.gz KQPQTRHSJJFPGF-QWHCGFSZSA-N 1 3 287.404 -0.439 20 0 CBADHO CCOC[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960522 354850581 /nfs/dbraw/zinc/85/05/81/354850581.db2.gz KQPQTRHSJJFPGF-QWHCGFSZSA-N 1 3 287.404 -0.439 20 0 CBADHO CN(C)C(=O)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569972788 354851318 /nfs/dbraw/zinc/85/13/18/354851318.db2.gz VYBFEOISCAETEY-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO Cc1nc2n(n1)C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000570437790 354862004 /nfs/dbraw/zinc/86/20/04/354862004.db2.gz CASAUAQIHQCGSW-DGCLKSJQSA-N 1 3 279.388 -0.054 20 0 CBADHO Cc1nc2n(n1)C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000570437790 354862005 /nfs/dbraw/zinc/86/20/05/354862005.db2.gz CASAUAQIHQCGSW-DGCLKSJQSA-N 1 3 279.388 -0.054 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000570440302 354862101 /nfs/dbraw/zinc/86/21/01/354862101.db2.gz GHEHFYYUPDTAIG-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1C1CC1 ZINC000572719347 354895847 /nfs/dbraw/zinc/89/58/47/354895847.db2.gz XFMFUGZKYVOQRB-QWRGUYRKSA-N 1 3 292.387 -0.018 20 0 CBADHO CC(C)N1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572768900 354897189 /nfs/dbraw/zinc/89/71/89/354897189.db2.gz KOKNGPIANFVKLN-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO O=C(CC[C@H]1CC[NH2+]C1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000572876572 354900286 /nfs/dbraw/zinc/90/02/86/354900286.db2.gz NCRJXBZOPRHYKH-JTQLQIEISA-N 1 3 293.375 -0.458 20 0 CBADHO c1cnc(N[C@@H]2CCN(CCN3CC[NH2+]CC3)C2)nc1 ZINC000573091739 354904741 /nfs/dbraw/zinc/90/47/41/354904741.db2.gz UEOWWXOHOYCYMR-CYBMUJFWSA-N 1 3 276.388 -0.132 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573321297 354910197 /nfs/dbraw/zinc/91/01/97/354910197.db2.gz HFFLWIFYYXRNBY-VXGBXAGGSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000573606312 354916601 /nfs/dbraw/zinc/91/66/01/354916601.db2.gz QRNSWRYXXZWPLO-UHFFFAOYSA-N 1 3 268.405 -0.119 20 0 CBADHO CN(C)CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000573606312 354916604 /nfs/dbraw/zinc/91/66/04/354916604.db2.gz QRNSWRYXXZWPLO-UHFFFAOYSA-N 1 3 268.405 -0.119 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NCCNC(=O)c2ccn[nH]2)C1 ZINC000571895546 354882887 /nfs/dbraw/zinc/88/28/87/354882887.db2.gz RZBWIZUYYNMAKM-ZJUUUORDSA-N 1 3 251.334 -0.001 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000571917863 354882909 /nfs/dbraw/zinc/88/29/09/354882909.db2.gz LBGJJFUGWDSSFD-SDDRHHMPSA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000573819654 354921865 /nfs/dbraw/zinc/92/18/65/354921865.db2.gz CHUHKXMBTDSTNN-NEPJUHHUSA-N 1 3 269.393 -0.717 20 0 CBADHO C[C@@]1(C[NH3+])CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000578126933 354939163 /nfs/dbraw/zinc/93/91/63/354939163.db2.gz HXWXVQSDBLMICP-YPMHNXCESA-N 1 3 255.362 -0.048 20 0 CBADHO O=C(NC[C@H]1CNCCO1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578442549 354946169 /nfs/dbraw/zinc/94/61/69/354946169.db2.gz XGZZAYIXXQQEFO-QWHCGFSZSA-N 1 3 293.371 -0.474 20 0 CBADHO [NH3+]CCOc1ccc(NC(=O)COC2CNC2)cc1 ZINC000578503914 354947418 /nfs/dbraw/zinc/94/74/18/354947418.db2.gz RQAVTAONHVLACI-UHFFFAOYSA-N 1 3 265.313 -0.049 20 0 CBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CNC1 ZINC000580942753 355001958 /nfs/dbraw/zinc/00/19/58/355001958.db2.gz ZYJUPBBEJCFBOZ-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CNC1 ZINC000580942753 355001959 /nfs/dbraw/zinc/00/19/59/355001959.db2.gz ZYJUPBBEJCFBOZ-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000579092212 354962337 /nfs/dbraw/zinc/96/23/37/354962337.db2.gz ZXBSAKTXQQNEDX-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO CC1(C)CN(C(=O)c2cn(CCCC[NH3+])nn2)CCN1 ZINC000579229510 354965272 /nfs/dbraw/zinc/96/52/72/354965272.db2.gz FARPKSXCVRFNJI-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO CN1CC[C@](O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000579373084 354968793 /nfs/dbraw/zinc/96/87/93/354968793.db2.gz WNESKQWNPFEANQ-AWEZNQCLSA-N 1 3 295.387 -0.759 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692521 354976345 /nfs/dbraw/zinc/97/63/45/354976345.db2.gz GAGOHXHEUXZHLD-CMPLNLGQSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692521 354976349 /nfs/dbraw/zinc/97/63/49/354976349.db2.gz GAGOHXHEUXZHLD-CMPLNLGQSA-N 1 3 280.372 -0.983 20 0 CBADHO COCCNCC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000579711818 354978130 /nfs/dbraw/zinc/97/81/30/354978130.db2.gz YKHGVCJFHDAFDP-UHFFFAOYSA-N 1 3 273.377 -0.645 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)CCC[NH3+] ZINC000579948633 354984299 /nfs/dbraw/zinc/98/42/99/354984299.db2.gz QFBJIFBPWJKMAD-UHFFFAOYSA-N 1 3 256.394 -0.179 20 0 CBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000580174231 354989044 /nfs/dbraw/zinc/98/90/44/354989044.db2.gz XLHUTUPBXDANQI-NEPJUHHUSA-N 1 3 280.372 -0.854 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580315622 354993075 /nfs/dbraw/zinc/99/30/75/354993075.db2.gz LKKUGBCDXNHSCF-BETUJISGSA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000580951115 355001648 /nfs/dbraw/zinc/00/16/48/355001648.db2.gz VCYMOSMSZSWAQW-WCQYABFASA-N 1 3 255.362 -0.320 20 0 CBADHO COCCNCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000584350062 355030114 /nfs/dbraw/zinc/03/01/14/355030114.db2.gz KXRHHQOLUJJLSI-UHFFFAOYSA-N 1 3 298.431 -0.445 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031356 /nfs/dbraw/zinc/03/13/56/355031356.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 1 3 281.404 -0.493 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000584588894 355033026 /nfs/dbraw/zinc/03/30/26/355033026.db2.gz JVLXXOIXAWXKCE-DMDPSCGWSA-N 1 3 287.429 -0.083 20 0 CBADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000584789747 355038016 /nfs/dbraw/zinc/03/80/16/355038016.db2.gz ARWZKCQEHLCVSZ-VHSXEESVSA-N 1 3 267.333 -0.076 20 0 CBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)CCOC2CNC2)CC1 ZINC000582120063 355008263 /nfs/dbraw/zinc/00/82/63/355008263.db2.gz CFLYKEFHPICSIV-ZDUSSCGKSA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CN1C1CC1 ZINC000582350471 355014092 /nfs/dbraw/zinc/01/40/92/355014092.db2.gz FBIMBNVEMSXPSZ-NEPJUHHUSA-N 1 3 294.399 -0.450 20 0 CBADHO [NH3+][C@H]1CCC[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000582600927 355016817 /nfs/dbraw/zinc/01/68/17/355016817.db2.gz JGZTZCAOSHZUEH-QWRGUYRKSA-N 1 3 255.362 -0.001 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])C[C@@H]21 ZINC000584047549 355028058 /nfs/dbraw/zinc/02/80/58/355028058.db2.gz NUDRRNKBGPJXIG-UTUOFQBUSA-N 1 3 280.372 -0.901 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418564978 295896221 /nfs/dbraw/zinc/89/62/21/295896221.db2.gz KLHRAHZVAPROJV-NWDGAFQWSA-N 1 3 272.393 -0.274 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000588975167 355063759 /nfs/dbraw/zinc/06/37/59/355063759.db2.gz FWSWJELQLRKSQA-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000588975167 355063762 /nfs/dbraw/zinc/06/37/62/355063762.db2.gz FWSWJELQLRKSQA-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591865379 355114178 /nfs/dbraw/zinc/11/41/78/355114178.db2.gz WWVLBYLFIVCNFN-LBPRGKRZSA-N 1 3 257.378 -0.025 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591865379 355114181 /nfs/dbraw/zinc/11/41/81/355114181.db2.gz WWVLBYLFIVCNFN-LBPRGKRZSA-N 1 3 257.378 -0.025 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CCC(=O)OC ZINC000592474865 355156438 /nfs/dbraw/zinc/15/64/38/355156438.db2.gz HFVGCMJGFGPSIP-ZJUUUORDSA-N 1 3 257.334 -0.523 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1CC[C@H]1CC[NH2+]C1 ZINC000592486515 355157551 /nfs/dbraw/zinc/15/75/51/355157551.db2.gz IEKJNECNHZQWRJ-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000594186034 355237759 /nfs/dbraw/zinc/23/77/59/355237759.db2.gz IANHWVXDQHAVNQ-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000594186034 355237760 /nfs/dbraw/zinc/23/77/60/355237760.db2.gz IANHWVXDQHAVNQ-VXGBXAGGSA-N 1 3 255.362 -0.225 20 0 CBADHO CC(C)([NH3+])CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594873943 355266224 /nfs/dbraw/zinc/26/62/24/355266224.db2.gz WEQLJNHWHXUFET-NXEZZACHSA-N 1 3 268.361 -0.726 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878016 355266768 /nfs/dbraw/zinc/26/67/68/355266768.db2.gz AZYONGFVJUMWSE-ZAZJYDDPSA-N 1 3 292.383 -0.854 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CCN2C1=O ZINC000594878015 355267090 /nfs/dbraw/zinc/26/70/90/355267090.db2.gz AZYONGFVJUMWSE-RTWAVKEYSA-N 1 3 292.383 -0.854 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H](C)[NH3+] ZINC000594877974 355267095 /nfs/dbraw/zinc/26/70/95/355267095.db2.gz JKNQDHLOQISGPJ-KXNHARMFSA-N 1 3 282.388 -0.624 20 0 CBADHO NC(=O)NC(=O)CCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000595868550 355312705 /nfs/dbraw/zinc/31/27/05/355312705.db2.gz PUDNUUKDCRTFRL-LBPRGKRZSA-N 1 3 298.387 -0.508 20 0 CBADHO COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CCC2(CNC2)O1 ZINC000595895486 355315751 /nfs/dbraw/zinc/31/57/51/355315751.db2.gz OEGRAJRUYQGJCZ-VXGBXAGGSA-N 1 3 283.372 -0.656 20 0 CBADHO Cn1cncc1CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903266 355317014 /nfs/dbraw/zinc/31/70/14/355317014.db2.gz QDPKCVNQFHRFQT-STQMWFEESA-N 1 3 277.372 -0.404 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939177 355321355 /nfs/dbraw/zinc/32/13/55/355321355.db2.gz GJRYLFTZLYNESY-NXEZZACHSA-N 1 3 259.350 -0.277 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C3([NH3+])CC4(CCC4)C3)CCN2C1=O ZINC000595971833 355331303 /nfs/dbraw/zinc/33/13/03/355331303.db2.gz SKYPGRWKMWGNNJ-QWRGUYRKSA-N 1 3 292.383 -0.582 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266078 355276455 /nfs/dbraw/zinc/27/64/55/355276455.db2.gz YYLLRKWOBMPCSW-NOOOWODRSA-N 1 3 295.387 -0.790 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]1 ZINC000595264649 355276564 /nfs/dbraw/zinc/27/65/64/355276564.db2.gz DSNNNZZMXZPLMC-WISYIIOYSA-N 1 3 295.387 -0.920 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CCN2C1=O ZINC000595268484 355277161 /nfs/dbraw/zinc/27/71/61/355277161.db2.gz VMJCKACJRIHOJN-BJDJZHNGSA-N 1 3 295.387 -0.933 20 0 CBADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCC3)CCN2C1=O ZINC000595270842 355277333 /nfs/dbraw/zinc/27/73/33/355277333.db2.gz MMYZJOGZIZYCSC-MNOVXSKESA-N 1 3 295.387 -0.789 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420317620 291064972 /nfs/dbraw/zinc/06/49/72/291064972.db2.gz ZQXVVDSGACSNAA-QWRGUYRKSA-N 1 3 271.361 -0.323 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000598680448 355450081 /nfs/dbraw/zinc/45/00/81/355450081.db2.gz BVCPOCNNUUOFNX-RISCZKNCSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000598680448 355450083 /nfs/dbraw/zinc/45/00/83/355450083.db2.gz BVCPOCNNUUOFNX-RISCZKNCSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000600708867 355562130 /nfs/dbraw/zinc/56/21/30/355562130.db2.gz HUCRLVLQZIDNFJ-QWRGUYRKSA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000600708867 355562134 /nfs/dbraw/zinc/56/21/34/355562134.db2.gz HUCRLVLQZIDNFJ-QWRGUYRKSA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000600710057 355562159 /nfs/dbraw/zinc/56/21/59/355562159.db2.gz NRYUHGOBEBEZFO-VHSXEESVSA-N 1 3 259.350 -0.229 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000600710058 355562372 /nfs/dbraw/zinc/56/23/72/355562372.db2.gz NRYUHGOBEBEZFO-ZJUUUORDSA-N 1 3 259.350 -0.229 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000600711580 355562494 /nfs/dbraw/zinc/56/24/94/355562494.db2.gz SHMVUVLNZHPODJ-GHMZBOCLSA-N 1 3 271.361 -0.085 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000600711580 355562495 /nfs/dbraw/zinc/56/24/95/355562495.db2.gz SHMVUVLNZHPODJ-GHMZBOCLSA-N 1 3 271.361 -0.085 20 0 CBADHO CN(C)C(C)(C)CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602467145 355651768 /nfs/dbraw/zinc/65/17/68/355651768.db2.gz KWICGOPTMDGGDY-IBGZPJMESA-N 1 3 289.445 -0.057 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000602523738 355657335 /nfs/dbraw/zinc/65/73/35/355657335.db2.gz HOMLNXIZMNOHKD-WOPDTQHZSA-N 1 3 280.372 -0.901 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000602523738 355657338 /nfs/dbraw/zinc/65/73/38/355657338.db2.gz HOMLNXIZMNOHKD-WOPDTQHZSA-N 1 3 280.372 -0.901 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@@H+]1C ZINC000602525148 355657450 /nfs/dbraw/zinc/65/74/50/355657450.db2.gz MYIGENHSSFIGML-MROQNXINSA-N 1 3 294.399 -0.513 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@H+]1C ZINC000602525148 355657453 /nfs/dbraw/zinc/65/74/53/355657453.db2.gz MYIGENHSSFIGML-MROQNXINSA-N 1 3 294.399 -0.513 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602551406 355660908 /nfs/dbraw/zinc/66/09/08/355660908.db2.gz CXNVLFAELANBAS-AEJSXWLSSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590493 355663066 /nfs/dbraw/zinc/66/30/66/355663066.db2.gz IRCXRDFMMUOWGV-KXUCPTDWSA-N 1 3 255.318 -0.770 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419126023 295907622 /nfs/dbraw/zinc/90/76/22/295907622.db2.gz VEVUYWDXTXZKOZ-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974512 355858721 /nfs/dbraw/zinc/85/87/21/355858721.db2.gz HRXPMVSACLVHCD-DGCLKSJQSA-N 1 3 284.404 -0.260 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612979702 355858757 /nfs/dbraw/zinc/85/87/57/355858757.db2.gz IYHUHPFGBZTFOO-RISCZKNCSA-N 1 3 282.388 -0.506 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](CN)C1 ZINC000612994407 355860390 /nfs/dbraw/zinc/86/03/90/355860390.db2.gz SNHVVSIWCCPPOW-VXGBXAGGSA-N 1 3 281.404 -0.587 20 0 CBADHO COCCNCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995703 355860556 /nfs/dbraw/zinc/86/05/56/355860556.db2.gz ZBAZHDDRAPNPPA-NSHDSACASA-N 1 3 270.377 -0.336 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000613662789 355902551 /nfs/dbraw/zinc/90/25/51/355902551.db2.gz GUQXECICJFMBGM-MGPQQGTHSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](CO)CN(C)C ZINC000614847672 355989247 /nfs/dbraw/zinc/98/92/47/355989247.db2.gz NEGJIBLJBKEUPU-IJLUTSLNSA-N 1 3 257.378 -0.102 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)CC1=O ZINC000615510396 356037431 /nfs/dbraw/zinc/03/74/31/356037431.db2.gz HVOGVQVIMHUQEV-ZDUSSCGKSA-N 1 3 296.415 -0.584 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(=O)NC1 ZINC000617504943 356139728 /nfs/dbraw/zinc/13/97/28/356139728.db2.gz QDAGWKGLDBGQLK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(=O)NC1 ZINC000617504943 356139730 /nfs/dbraw/zinc/13/97/30/356139730.db2.gz QDAGWKGLDBGQLK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000619898073 356229768 /nfs/dbraw/zinc/22/97/68/356229768.db2.gz QFRSMCCAHRWQOY-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000619898073 356229771 /nfs/dbraw/zinc/22/97/71/356229771.db2.gz QFRSMCCAHRWQOY-KGLIPLIRSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000618299955 356185089 /nfs/dbraw/zinc/18/50/89/356185089.db2.gz HNMXZNUKGUXLJS-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@H+]1C ZINC000618299955 356185090 /nfs/dbraw/zinc/18/50/90/356185090.db2.gz HNMXZNUKGUXLJS-CHWSQXEVSA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000618305863 356185526 /nfs/dbraw/zinc/18/55/26/356185526.db2.gz KEPACDSOEHOUHE-LBPRGKRZSA-N 1 3 284.404 -0.584 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000618305863 356185528 /nfs/dbraw/zinc/18/55/28/356185528.db2.gz KEPACDSOEHOUHE-LBPRGKRZSA-N 1 3 284.404 -0.584 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295293 356267210 /nfs/dbraw/zinc/26/72/10/356267210.db2.gz CYDDITNLXUKMQK-VXGBXAGGSA-N 1 3 257.378 -0.115 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295293 356267213 /nfs/dbraw/zinc/26/72/13/356267213.db2.gz CYDDITNLXUKMQK-VXGBXAGGSA-N 1 3 257.378 -0.115 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC000621884728 356293367 /nfs/dbraw/zinc/29/33/67/356293367.db2.gz WTYJWHWPINNCSS-UHFFFAOYSA-N 1 3 295.387 -0.321 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622025279 356300427 /nfs/dbraw/zinc/30/04/27/356300427.db2.gz NUSWKLGVTCTMLC-SMDDNHRTSA-N 1 3 282.388 -0.654 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623907945 356381594 /nfs/dbraw/zinc/38/15/94/356381594.db2.gz JNQKDBLPIZVZGL-VIFPVBQESA-N 1 3 265.365 -0.349 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623907945 356381595 /nfs/dbraw/zinc/38/15/95/356381595.db2.gz JNQKDBLPIZVZGL-VIFPVBQESA-N 1 3 265.365 -0.349 20 0 CBADHO CC(C)[N@@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623901824 356381618 /nfs/dbraw/zinc/38/16/18/356381618.db2.gz SUKOZQPIYULYQT-MRVPVSSYSA-N 1 3 251.338 -0.739 20 0 CBADHO CC(C)[N@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623901824 356381619 /nfs/dbraw/zinc/38/16/19/356381619.db2.gz SUKOZQPIYULYQT-MRVPVSSYSA-N 1 3 251.338 -0.739 20 0 CBADHO CCC[NH+]1CCC(CNc2nc(N)nc(N)n2)CC1 ZINC000623912753 356382274 /nfs/dbraw/zinc/38/22/74/356382274.db2.gz SZBUJAQIHMOGOO-UHFFFAOYSA-N 1 3 265.365 -0.347 20 0 CBADHO COCCC[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623931221 356383405 /nfs/dbraw/zinc/38/34/05/356383405.db2.gz OYRVJFOWVIVSDK-UHFFFAOYSA-N 1 3 281.364 -0.969 20 0 CBADHO Nc1nc(N)nc(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000623988000 356386543 /nfs/dbraw/zinc/38/65/43/356386543.db2.gz WTAKBFWNHAEEGW-SECBINFHSA-N 1 3 263.349 -0.381 20 0 CBADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024285 356390890 /nfs/dbraw/zinc/39/08/90/356390890.db2.gz CENMGEMHCIFOAI-JGVFFNPUSA-N 1 3 251.338 -0.527 20 0 CBADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024285 356390893 /nfs/dbraw/zinc/39/08/93/356390893.db2.gz CENMGEMHCIFOAI-JGVFFNPUSA-N 1 3 251.338 -0.527 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624055919 356393356 /nfs/dbraw/zinc/39/33/56/356393356.db2.gz SFIDQJTWELPVEP-SNVBAGLBSA-N 1 3 279.392 -0.101 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624055919 356393359 /nfs/dbraw/zinc/39/33/59/356393359.db2.gz SFIDQJTWELPVEP-SNVBAGLBSA-N 1 3 279.392 -0.101 20 0 CBADHO C[N@H+](CCCCNc1nc(N)nc(N)n1)C1CC1 ZINC000624267454 356408389 /nfs/dbraw/zinc/40/83/89/356408389.db2.gz NOAOIAAWKGSDPC-UHFFFAOYSA-N 1 3 251.338 -0.595 20 0 CBADHO C[N@@H+](CCCCNc1nc(N)nc(N)n1)C1CC1 ZINC000624267454 356408391 /nfs/dbraw/zinc/40/83/91/356408391.db2.gz NOAOIAAWKGSDPC-UHFFFAOYSA-N 1 3 251.338 -0.595 20 0 CBADHO C[N@@H+]1CCC[C@@H](CCNc2nc(N)nc(N)n2)C1 ZINC000624272901 356409631 /nfs/dbraw/zinc/40/96/31/356409631.db2.gz SICGEKRAJCYJKB-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO C[N@H+]1CCC[C@@H](CCNc2nc(N)nc(N)n2)C1 ZINC000624272901 356409632 /nfs/dbraw/zinc/40/96/32/356409632.db2.gz SICGEKRAJCYJKB-QMMMGPOBSA-N 1 3 251.338 -0.738 20 0 CBADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[NH2+]C2)cn1 ZINC000625865402 356494714 /nfs/dbraw/zinc/49/47/14/356494714.db2.gz FSEHVYOVCPGODO-SNVBAGLBSA-N 1 3 266.349 -0.072 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626950671 356558684 /nfs/dbraw/zinc/55/86/84/356558684.db2.gz YHYBPDCSBYVMGR-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCCN1C ZINC000626950233 356559194 /nfs/dbraw/zinc/55/91/94/356559194.db2.gz NJUDQZNCTMHQJR-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)N(C)C ZINC000627053079 356570737 /nfs/dbraw/zinc/57/07/37/356570737.db2.gz XCBJDAPDSABUPT-JTQLQIEISA-N 1 3 258.366 -0.256 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626982656 356563633 /nfs/dbraw/zinc/56/36/33/356563633.db2.gz OCAGWRPTLBIXJZ-SDDRHHMPSA-N 1 3 270.377 -0.243 20 0 CBADHO CC1(C)CN(C(=O)NCC2([NH3+])CCOCC2)CCN1 ZINC000627147312 356588550 /nfs/dbraw/zinc/58/85/50/356588550.db2.gz GEVBMQZPGQAUSH-UHFFFAOYSA-N 1 3 270.377 -0.112 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@](C)(O)CN(C)C ZINC000627165557 356591557 /nfs/dbraw/zinc/59/15/57/356591557.db2.gz ZAHRRVNTSURGHX-LOWVWBTDSA-N 1 3 272.393 -0.261 20 0 CBADHO C[NH2+]CCOCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000627171074 356592300 /nfs/dbraw/zinc/59/23/00/356592300.db2.gz PVXYDKJMFCAYRZ-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1CNCCO1)C2 ZINC000627103517 356583422 /nfs/dbraw/zinc/58/34/22/356583422.db2.gz LCLAVLMGAVUJMF-BNOWGMLFSA-N 1 3 282.388 -0.384 20 0 CBADHO C[C@H]1NCCN(C(=O)NCCOCCC[NH3+])[C@@H]1C ZINC000627219649 356608644 /nfs/dbraw/zinc/60/86/44/356608644.db2.gz ZVRKPVFRQIBQAS-GHMZBOCLSA-N 1 3 258.366 -0.256 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242077 356610241 /nfs/dbraw/zinc/61/02/41/356610241.db2.gz NFFWKHMNAKCEOU-WDEREUQCSA-N 1 3 258.366 -0.650 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248572 356611842 /nfs/dbraw/zinc/61/18/42/356611842.db2.gz PWJTYKYTJYMLHL-LLVKDONJSA-N 1 3 258.366 -0.432 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627204244 356604553 /nfs/dbraw/zinc/60/45/53/356604553.db2.gz CFJNOVKVVVXLFM-NWDGAFQWSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2CN)C[NH2+]1 ZINC000627208022 356604939 /nfs/dbraw/zinc/60/49/39/356604939.db2.gz VOSVOXPMYLJOAW-UTUOFQBUSA-N 1 3 269.393 -0.589 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627365640 356633621 /nfs/dbraw/zinc/63/36/21/356633621.db2.gz VGZUDPOQIMGNIS-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000627377063 356634949 /nfs/dbraw/zinc/63/49/49/356634949.db2.gz XFYARMKPGNXYHN-NSHDSACASA-N 1 3 282.388 -0.440 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000627291588 356620999 /nfs/dbraw/zinc/62/09/99/356620999.db2.gz YCGXDJQTTCFBHU-ZYHUDNBSSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000627291519 356621182 /nfs/dbraw/zinc/62/11/82/356621182.db2.gz WTCCVGSKOJPVLN-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(CC)CC[NH3+] ZINC000627320729 356625681 /nfs/dbraw/zinc/62/56/81/356625681.db2.gz NAIZXAZCJDQNHP-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627319582 356625813 /nfs/dbraw/zinc/62/58/13/356625813.db2.gz YNKSFXCBDXLIFF-LBPRGKRZSA-N 1 3 294.399 -0.402 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000627332327 356627395 /nfs/dbraw/zinc/62/73/95/356627395.db2.gz XAKSURJMGARFNY-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627429019 356645849 /nfs/dbraw/zinc/64/58/49/356645849.db2.gz VCSSHZDDGUWGMN-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000627398741 356639324 /nfs/dbraw/zinc/63/93/24/356639324.db2.gz VRTGAXASWKQSTG-LBPRGKRZSA-N 1 3 284.404 -0.358 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)C[NH2+]1 ZINC000627477064 356653166 /nfs/dbraw/zinc/65/31/66/356653166.db2.gz QOBQURFBEUCBMM-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627478478 356654083 /nfs/dbraw/zinc/65/40/83/356654083.db2.gz NKKLEVUOPMKCTN-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)C[NH2+]1 ZINC000627484362 356655288 /nfs/dbraw/zinc/65/52/88/356655288.db2.gz WWSBLUBTRFYHRE-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000627498610 356657202 /nfs/dbraw/zinc/65/72/02/356657202.db2.gz FAAQXDHEOLQVTH-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627498111 356657709 /nfs/dbraw/zinc/65/77/09/356657709.db2.gz IXURXYTUFGCIFR-YNEHKIRRSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000627502319 356659036 /nfs/dbraw/zinc/65/90/36/356659036.db2.gz RXDLVGDSVNYBSD-MROQNXINSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000627503761 356659810 /nfs/dbraw/zinc/65/98/10/356659810.db2.gz ZXSFIEFETZZSFD-SDDRHHMPSA-N 1 3 282.388 -0.594 20 0 CBADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505053 356660136 /nfs/dbraw/zinc/66/01/36/356660136.db2.gz UBLNXDRFEPPEFZ-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000628274721 356695213 /nfs/dbraw/zinc/69/52/13/356695213.db2.gz KANRFOVTYYHMTD-NSHDSACASA-N 1 3 292.449 -0.155 20 0 CBADHO CCS(=O)(=O)C[C@H](C)NCCOCC[NH2+]C ZINC000629529999 356776721 /nfs/dbraw/zinc/77/67/21/356776721.db2.gz SMFDCKVQSKACLF-JTQLQIEISA-N 1 3 252.380 -0.365 20 0 CBADHO C[C@H](CN1CCN(C)CC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629560356 356779667 /nfs/dbraw/zinc/77/96/67/356779667.db2.gz LUXRITSGVHPACX-CABCVRRESA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000629560356 356779670 /nfs/dbraw/zinc/77/96/70/356779670.db2.gz LUXRITSGVHPACX-CABCVRRESA-N 1 3 284.448 -0.331 20 0 CBADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)CN1CCN(C)CC1 ZINC000629559552 356779886 /nfs/dbraw/zinc/77/98/86/356779886.db2.gz BGMANNXDTFKKEB-CVEARBPZSA-N 1 3 298.475 -0.084 20 0 CBADHO CCS(=O)(=O)C[C@@H](C)NCCOCC[NH2+]C ZINC000629530000 356776428 /nfs/dbraw/zinc/77/64/28/356776428.db2.gz SMFDCKVQSKACLF-SNVBAGLBSA-N 1 3 252.380 -0.365 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)CCN1CCCC1 ZINC000629795521 356794530 /nfs/dbraw/zinc/79/45/30/356794530.db2.gz YMNIVTMTWZJRPK-UHFFFAOYSA-N 1 3 270.377 -0.652 20 0 CBADHO CN(C)S(=O)(=O)CCCN(C)CCOCC[NH3+] ZINC000629577884 356781514 /nfs/dbraw/zinc/78/15/14/356781514.db2.gz DTUKZXZFGGVTTO-UHFFFAOYSA-N 1 3 267.395 -0.825 20 0 CBADHO O[C@@H](C[NH2+]CCN1CCCOCC1)CN1CCCC1 ZINC000629576493 356781952 /nfs/dbraw/zinc/78/19/52/356781952.db2.gz MTJSWINHRROUAJ-AWEZNQCLSA-N 1 3 271.405 -0.245 20 0 CBADHO NC(=O)CC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629579257 356782653 /nfs/dbraw/zinc/78/26/53/356782653.db2.gz CWYICPZHEMHSAF-LLVKDONJSA-N 1 3 255.362 -0.312 20 0 CBADHO CN(CCCN1C(=O)NC(C)(C)C1=O)CCOCC[NH3+] ZINC000629578883 356783004 /nfs/dbraw/zinc/78/30/04/356783004.db2.gz MWPOVWZVBJBSDH-UHFFFAOYSA-N 1 3 286.376 -0.386 20 0 CBADHO CCN(CCO)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583442 356783642 /nfs/dbraw/zinc/78/36/42/356783642.db2.gz DJDJPOWDSBATOK-CYBMUJFWSA-N 1 3 259.394 -0.653 20 0 CBADHO O[C@H](C[NH2+]C[C@@H](O)[C@H]1CCCO1)CN1CCCC1 ZINC000629590340 356783886 /nfs/dbraw/zinc/78/38/86/356783886.db2.gz VGBLKUOCFVVYKC-JHJVBQTASA-N 1 3 258.362 -0.427 20 0 CBADHO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629600077 356785153 /nfs/dbraw/zinc/78/51/53/356785153.db2.gz RHLVXQSGWKWINI-CHWSQXEVSA-N 1 3 257.378 -0.637 20 0 CBADHO CC(=O)NC[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000629595575 356785168 /nfs/dbraw/zinc/78/51/68/356785168.db2.gz UDGSNDUSLCMKME-CQSZACIVSA-N 1 3 268.405 -0.118 20 0 CBADHO OC[C@@H](CN1CCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629596049 356785174 /nfs/dbraw/zinc/78/51/74/356785174.db2.gz QTTNURBNPXSDSH-KGLIPLIRSA-N 1 3 271.405 -0.511 20 0 CBADHO CO[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630358399 356837047 /nfs/dbraw/zinc/83/70/47/356837047.db2.gz AOLDPTANYJDVHP-SGMGOOAPSA-N 1 3 285.388 -0.280 20 0 CBADHO c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CNCCO1 ZINC000630616297 356855281 /nfs/dbraw/zinc/85/52/81/356855281.db2.gz IDKWQYMSMOSRGX-AAEUAGOBSA-N 1 3 265.361 -0.191 20 0 CBADHO CC(C)C[N@H+](CCN(C)C)CCn1cc([C@H](N)CO)nn1 ZINC000630610860 356855349 /nfs/dbraw/zinc/85/53/49/356855349.db2.gz RXHFHZLBZVPJNM-CYBMUJFWSA-N 1 3 298.435 -0.210 20 0 CBADHO CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@H](N)CO)nn1 ZINC000630610860 356855351 /nfs/dbraw/zinc/85/53/51/356855351.db2.gz RXHFHZLBZVPJNM-CYBMUJFWSA-N 1 3 298.435 -0.210 20 0 CBADHO CC(C)CN(CCn1cc([C@H](N)CO)nn1)CC[NH+](C)C ZINC000630610860 356855352 /nfs/dbraw/zinc/85/53/52/356855352.db2.gz RXHFHZLBZVPJNM-CYBMUJFWSA-N 1 3 298.435 -0.210 20 0 CBADHO C[C@H]1CN(S(=O)(=O)CCCN(C)C)CC[C@@H]1[NH3+] ZINC000631905536 356920448 /nfs/dbraw/zinc/92/04/48/356920448.db2.gz PGZCDGZQTMWFAG-QWRGUYRKSA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@H]1CN(S(=O)(=O)CCCN(C)C)CC[C@H]1[NH3+] ZINC000631905537 356920631 /nfs/dbraw/zinc/92/06/31/356920631.db2.gz PGZCDGZQTMWFAG-WDEREUQCSA-N 1 3 263.407 -0.063 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)CCCN(C)C ZINC000631907064 356921141 /nfs/dbraw/zinc/92/11/41/356921141.db2.gz CFQYDWOQDJAUGH-NSHDSACASA-N 1 3 263.407 -0.048 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000631907912 356921416 /nfs/dbraw/zinc/92/14/16/356921416.db2.gz XDELOEHEZHHEQO-GHMZBOCLSA-N 1 3 279.406 -0.684 20 0 CBADHO C[C@H]1C[C@H](NS(=O)(=O)CCCN(C)C)CC[NH2+]1 ZINC000631932319 356926078 /nfs/dbraw/zinc/92/60/78/356926078.db2.gz NIIXYUPKHFBCMZ-WDEREUQCSA-N 1 3 263.407 -0.002 20 0 CBADHO [NH3+][C@H]1C[C@@H](NS(=O)(=O)CCCN2CCCC2)C1 ZINC000631932043 356926162 /nfs/dbraw/zinc/92/61/62/356926162.db2.gz KYKFKSPIIUWQCF-PHIMTYICSA-N 1 3 261.391 -0.119 20 0 CBADHO CCC[NH2+]CCNS(=O)(=O)CCCN(C)C ZINC000631933426 356926282 /nfs/dbraw/zinc/92/62/82/356926282.db2.gz LGGWLTDDDNPWCS-UHFFFAOYSA-N 1 3 251.396 -0.143 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCCN(C)C ZINC000631936107 356927968 /nfs/dbraw/zinc/92/79/68/356927968.db2.gz TWAKHPOOIMCETE-QWRGUYRKSA-N 1 3 263.407 -0.002 20 0 CBADHO C[C@H]1CCNC[C@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935734 356928428 /nfs/dbraw/zinc/92/84/28/356928428.db2.gz ZEKZSMLYYZAVLE-CMPLNLGQSA-N 1 3 290.433 -0.497 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000631942174 356930952 /nfs/dbraw/zinc/93/09/52/356930952.db2.gz QWKHULUFFQCRIL-WDEREUQCSA-N 1 3 263.407 -0.015 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000631942172 356930981 /nfs/dbraw/zinc/93/09/81/356930981.db2.gz QWKHULUFFQCRIL-MNOVXSKESA-N 1 3 263.407 -0.015 20 0 CBADHO C[NH2+]CCOCCNS(=O)(=O)CCCN(C)C ZINC000631954534 356934017 /nfs/dbraw/zinc/93/40/17/356934017.db2.gz POEBXCYJHJCEOC-UHFFFAOYSA-N 1 3 267.395 -0.907 20 0 CBADHO CN(C)CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971214 356937356 /nfs/dbraw/zinc/93/73/56/356937356.db2.gz MXFDIIVRFWTUGL-PHIMTYICSA-N 1 3 261.391 -0.296 20 0 CBADHO CN(C)CCn1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cn1 ZINC000632072134 356949337 /nfs/dbraw/zinc/94/93/37/356949337.db2.gz WNAZSGPLHAIQGL-CQSZACIVSA-N 1 3 297.403 -0.513 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@H]1C[NH3+] ZINC000633087469 357042203 /nfs/dbraw/zinc/04/22/03/357042203.db2.gz KZFBLAFHFZZVJC-UPJWGTAASA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@H]1C[NH3+] ZINC000633087468 357042547 /nfs/dbraw/zinc/04/25/47/357042547.db2.gz KZFBLAFHFZZVJC-JHJVBQTASA-N 1 3 296.415 -0.408 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633100615 357045332 /nfs/dbraw/zinc/04/53/32/357045332.db2.gz HTEVVGMDMLABTR-RYUDHWBXSA-N 1 3 282.388 -0.642 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000633116745 357050252 /nfs/dbraw/zinc/05/02/52/357050252.db2.gz WZWLINKEKLXDTQ-FRRDWIJNSA-N 1 3 294.399 -0.369 20 0 CBADHO COC1(C(=O)N2C[C@H](C)NC[C@@H]2C)CC[NH2+]CC1 ZINC000634275976 357114532 /nfs/dbraw/zinc/11/45/32/357114532.db2.gz RMBIGZFGTFVGST-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000633481133 357069055 /nfs/dbraw/zinc/06/90/55/357069055.db2.gz KCPSFRIDNNSQKO-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000633481133 357069056 /nfs/dbraw/zinc/06/90/56/357069056.db2.gz KCPSFRIDNNSQKO-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCNC1=O ZINC000633615225 357075055 /nfs/dbraw/zinc/07/50/55/357075055.db2.gz YHHHOMZZDHAOFV-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCNC1=O ZINC000633615225 357075056 /nfs/dbraw/zinc/07/50/56/357075056.db2.gz YHHHOMZZDHAOFV-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634762442 357133539 /nfs/dbraw/zinc/13/35/39/357133539.db2.gz XKFOCJIYTBTERW-AAEUAGOBSA-N 1 3 298.431 -0.020 20 0 CBADHO O=C(CN1CCNCC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769554 357135147 /nfs/dbraw/zinc/13/51/47/357135147.db2.gz FREQGTOHDPYDOG-YPMHNXCESA-N 1 3 252.362 -0.850 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533872 357122664 /nfs/dbraw/zinc/12/26/64/357122664.db2.gz SDUXFJWPKSOPQA-TUAOUCFPSA-N 1 3 281.356 -0.746 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634533872 357122669 /nfs/dbraw/zinc/12/26/69/357122669.db2.gz SDUXFJWPKSOPQA-TUAOUCFPSA-N 1 3 281.356 -0.746 20 0 CBADHO C[C@](O)(CO)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719837 357128838 /nfs/dbraw/zinc/12/88/38/357128838.db2.gz AIEJRTRGRALUPN-CVEARBPZSA-N 1 3 294.395 -0.044 20 0 CBADHO C[C@](O)(CO)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719837 357128843 /nfs/dbraw/zinc/12/88/43/357128843.db2.gz AIEJRTRGRALUPN-CVEARBPZSA-N 1 3 294.395 -0.044 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC1 ZINC000635928436 357234077 /nfs/dbraw/zinc/23/40/77/357234077.db2.gz GKHVCKKXIWMIMT-OLZOCXBDSA-N 1 3 281.400 -0.004 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000635947957 357238314 /nfs/dbraw/zinc/23/83/14/357238314.db2.gz GJMPGPIJWXMPTR-SRVKXCTJSA-N 1 3 255.362 -0.539 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000635947957 357238318 /nfs/dbraw/zinc/23/83/18/357238318.db2.gz GJMPGPIJWXMPTR-SRVKXCTJSA-N 1 3 255.362 -0.539 20 0 CBADHO O=C(NCCN1CC[C@@H](O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516402 357287779 /nfs/dbraw/zinc/28/77/79/357287779.db2.gz BLIBLHOMVSNEEF-CQSZACIVSA-N 1 3 296.415 -0.021 20 0 CBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000636081083 357261947 /nfs/dbraw/zinc/26/19/47/357261947.db2.gz TVONOUGPOBONEQ-GFCCVEGCSA-N 1 3 296.415 -0.093 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000637812358 357369563 /nfs/dbraw/zinc/36/95/63/357369563.db2.gz RRKUGBIDDBPVLU-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000637860682 357378193 /nfs/dbraw/zinc/37/81/93/357378193.db2.gz CKJMLTYOKDUTSF-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO COCCOCCN(C)CCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637837112 357373448 /nfs/dbraw/zinc/37/34/48/357373448.db2.gz CGHHRWWQPSTKIL-CYBMUJFWSA-N 1 3 287.404 -0.208 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000637835062 357373667 /nfs/dbraw/zinc/37/36/67/357373667.db2.gz JPCJVVWYSCISDQ-ZIAGYGMSSA-N 1 3 296.415 -0.787 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907203 357311020 /nfs/dbraw/zinc/31/10/20/357311020.db2.gz LUXPAJSWVRIAQY-OUCADQQQSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907203 357311024 /nfs/dbraw/zinc/31/10/24/357311024.db2.gz LUXPAJSWVRIAQY-OUCADQQQSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907206 357311436 /nfs/dbraw/zinc/31/14/36/357311436.db2.gz LUXPAJSWVRIAQY-YRGRVCCFSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907206 357311438 /nfs/dbraw/zinc/31/14/38/357311438.db2.gz LUXPAJSWVRIAQY-YRGRVCCFSA-N 1 3 296.415 -0.023 20 0 CBADHO CN(C)CCn1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cn1 ZINC000637838408 357375553 /nfs/dbraw/zinc/37/55/53/357375553.db2.gz WJGXCUWZKQEFSW-LBPRGKRZSA-N 1 3 265.361 -0.121 20 0 CBADHO COCCOCCN(C)CCC(=O)NC1CC[NH2+]CC1 ZINC000637797235 357364356 /nfs/dbraw/zinc/36/43/56/357364356.db2.gz ASMADCAWWFQYFX-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC[N@@H+]1C ZINC000637864027 357378436 /nfs/dbraw/zinc/37/84/36/357378436.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 1 3 268.405 -0.182 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC[N@H+]1C ZINC000637864027 357378437 /nfs/dbraw/zinc/37/84/37/357378437.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 1 3 268.405 -0.182 20 0 CBADHO CC[NH2+]CCCNC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000637809227 357367902 /nfs/dbraw/zinc/36/79/02/357367902.db2.gz NJZFPHWJKDBXNH-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811492 357368422 /nfs/dbraw/zinc/36/84/22/357368422.db2.gz MFKOGCVFGJJSNJ-KGLIPLIRSA-N 1 3 276.384 -0.076 20 0 CBADHO CCN[C@@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638236955 357441116 /nfs/dbraw/zinc/44/11/16/357441116.db2.gz MMVXMERAPIZRGL-RYUDHWBXSA-N 1 3 254.378 -0.510 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCN2CCCC2)C1 ZINC000638055193 357406017 /nfs/dbraw/zinc/40/60/17/357406017.db2.gz GKCPIHSBAVAIAE-YPMHNXCESA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]C[C@]1(C(=O)NCCN2CCCC2)CCCOC1 ZINC000638054590 357406384 /nfs/dbraw/zinc/40/63/84/357406384.db2.gz GDBSHNYBVAFDGO-CYBMUJFWSA-N 1 3 255.362 -0.046 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638070694 357409307 /nfs/dbraw/zinc/40/93/07/357409307.db2.gz UZZILBGYOBPBTO-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO [NH3+]C[C@@]1(C(=O)NCCCN2CCC(O)CC2)CCCOC1 ZINC000638070209 357409770 /nfs/dbraw/zinc/40/97/70/357409770.db2.gz PDCLIERZIDAXBS-HNNXBMFYSA-N 1 3 299.415 -0.295 20 0 CBADHO C[C@@H]1CCCCN1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638071035 357409929 /nfs/dbraw/zinc/40/99/29/357409929.db2.gz ZAKDKZJTSPCLJG-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638075064 357411215 /nfs/dbraw/zinc/41/12/15/357411215.db2.gz PXNIGZKOAXXJLP-RHYQMDGZSA-N 1 3 253.346 -0.154 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638075064 357411217 /nfs/dbraw/zinc/41/12/17/357411217.db2.gz PXNIGZKOAXXJLP-RHYQMDGZSA-N 1 3 253.346 -0.154 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCN2C)C1 ZINC000638077365 357412268 /nfs/dbraw/zinc/41/22/68/357412268.db2.gz RRFNEXPLKSGVJO-MDZLAQPJSA-N 1 3 255.362 -0.036 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638098186 357416210 /nfs/dbraw/zinc/41/62/10/357416210.db2.gz KJJUCSPVUWJTAL-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H]1CCN(CCNC(=O)CN2CC[NH2+]CC2)C1 ZINC000638124648 357421921 /nfs/dbraw/zinc/42/19/21/357421921.db2.gz BOGJFTVXTYIWGV-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1C1CC1 ZINC000638132263 357423418 /nfs/dbraw/zinc/42/34/18/357423418.db2.gz FXJJJCRNRYZQBD-PKZYVASSSA-N 1 3 253.346 -0.156 20 0 CBADHO O=C(CN1CCNCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638141094 357424846 /nfs/dbraw/zinc/42/48/46/357424846.db2.gz GRJHWFYIVIPLCM-GFCCVEGCSA-N 1 3 252.362 -0.756 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000638138134 357424981 /nfs/dbraw/zinc/42/49/81/357424981.db2.gz WFLIMUFVEOLLJY-OLZOCXBDSA-N 1 3 270.421 -0.016 20 0 CBADHO CC[NH2+][C@H](C)C(=O)NCCN1CCN(CC)CC1 ZINC000638138196 357425474 /nfs/dbraw/zinc/42/54/74/357425474.db2.gz XPOIYLRIZADQAY-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO COC[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCCN1 ZINC000638173121 357430965 /nfs/dbraw/zinc/43/09/65/357430965.db2.gz SYIHSGCIYQZEPL-WCQYABFASA-N 1 3 271.361 -0.669 20 0 CBADHO [NH3+]CC[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638217901 357436151 /nfs/dbraw/zinc/43/61/51/357436151.db2.gz QQDJZOWMBCNOHA-GFCCVEGCSA-N 1 3 254.378 -0.521 20 0 CBADHO COC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CCCCN1 ZINC000637868666 357380242 /nfs/dbraw/zinc/38/02/42/357380242.db2.gz YQUVIEVZLUHPOT-OBJOEFQTSA-N 1 3 285.388 -0.280 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000638571618 357495579 /nfs/dbraw/zinc/49/55/79/357495579.db2.gz NCBWTDMMGGKGKG-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@H]1CNCCC1(F)F ZINC000638579162 357498074 /nfs/dbraw/zinc/49/80/74/357498074.db2.gz MWAJCBCDMBAVCL-SECBINFHSA-N 1 3 265.304 -0.417 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cnn(CCN(C)C)c1 ZINC000638257791 357444683 /nfs/dbraw/zinc/44/46/83/357444683.db2.gz WWLBXNSYLILEPV-NXEZZACHSA-N 1 3 253.350 -0.090 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)CN1CCNCC1 ZINC000638261309 357445271 /nfs/dbraw/zinc/44/52/71/357445271.db2.gz DPWITCHODULHEU-LLVKDONJSA-N 1 3 254.378 -0.604 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638264892 357445710 /nfs/dbraw/zinc/44/57/10/357445710.db2.gz YSGMYOSIUWLZLT-XQHKEYJVSA-N 1 3 267.373 -0.049 20 0 CBADHO COC[C@]1(C(=O)NCCOCC[NH+](C)C)CCCCN1 ZINC000638290540 357451294 /nfs/dbraw/zinc/45/12/94/357451294.db2.gz IHDVFTOKXTXBRY-AWEZNQCLSA-N 1 3 287.404 -0.161 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCOCCN(C)C)C1 ZINC000638290496 357451622 /nfs/dbraw/zinc/45/16/22/357451622.db2.gz HOOCEOOHUQNNIX-YPMHNXCESA-N 1 3 273.377 -0.552 20 0 CBADHO O=C(CN1CCNCC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638326890 357458311 /nfs/dbraw/zinc/45/83/11/357458311.db2.gz ADTKBZCMZZVRCU-KGLIPLIRSA-N 1 3 280.416 -0.118 20 0 CBADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000638338163 357459316 /nfs/dbraw/zinc/45/93/16/357459316.db2.gz SIVLVBMYGASLEG-KGLIPLIRSA-N 1 3 293.367 -0.330 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000638337642 357459463 /nfs/dbraw/zinc/45/94/63/357459463.db2.gz JDUUFXWJELRLBG-SDDRHHMPSA-N 1 3 255.362 -0.179 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CNCCO2)CC[N@H+]1C ZINC000638337642 357459467 /nfs/dbraw/zinc/45/94/67/357459467.db2.gz JDUUFXWJELRLBG-SDDRHHMPSA-N 1 3 255.362 -0.179 20 0 CBADHO COc1cccc(C[C@@H](N)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000638338165 357459810 /nfs/dbraw/zinc/45/98/10/357459810.db2.gz SIVLVBMYGASLEG-ZIAGYGMSSA-N 1 3 293.367 -0.330 20 0 CBADHO COC[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCCCN1 ZINC000638354431 357461226 /nfs/dbraw/zinc/46/12/26/357461226.db2.gz MIKHULOJFPQMDA-CQSZACIVSA-N 1 3 285.388 -0.543 20 0 CBADHO [NH3+]Cc1ccc(CNC(=O)CN2CCNCC2)cc1 ZINC000638374583 357463940 /nfs/dbraw/zinc/46/39/40/357463940.db2.gz OKVMAEZFBBTCRT-UHFFFAOYSA-N 1 3 262.357 -0.333 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638377937 357464552 /nfs/dbraw/zinc/46/45/52/357464552.db2.gz SZIAZOHDFSKHAJ-NWDGAFQWSA-N 1 3 255.362 -0.097 20 0 CBADHO CC(C)C[N@H+](C)CCCNC(=O)CN1CCNCC1 ZINC000638382200 357465134 /nfs/dbraw/zinc/46/51/34/357465134.db2.gz SOUNPEIWYMBLKE-UHFFFAOYSA-N 1 3 270.421 -0.014 20 0 CBADHO CC(C)C[N@@H+](C)CCCNC(=O)CN1CCNCC1 ZINC000638382200 357465137 /nfs/dbraw/zinc/46/51/37/357465137.db2.gz SOUNPEIWYMBLKE-UHFFFAOYSA-N 1 3 270.421 -0.014 20 0 CBADHO C[C@H]1CCCN(C(=O)CN2CCNCC2)[C@H]1CC[NH3+] ZINC000638391625 357466664 /nfs/dbraw/zinc/46/66/64/357466664.db2.gz XHVZJAMNHMOGGL-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510295 357490806 /nfs/dbraw/zinc/49/08/06/357490806.db2.gz WHLSLBFBYJMZGA-PWSUYJOCSA-N 1 3 282.388 -0.513 20 0 CBADHO O=C(CCOC1CNC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510979 357491647 /nfs/dbraw/zinc/49/16/47/357491647.db2.gz YRHSFHJLLJCDSW-NSHDSACASA-N 1 3 253.346 -0.234 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510649 357491867 /nfs/dbraw/zinc/49/18/67/357491867.db2.gz KHDDZPAOCRVSCV-NWDGAFQWSA-N 1 3 294.399 -0.273 20 0 CBADHO CC(C)(O)CN1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000639354712 357569246 /nfs/dbraw/zinc/56/92/46/357569246.db2.gz KUAMQQMXGOMJDQ-CQSZACIVSA-N 1 3 285.432 -0.122 20 0 CBADHO CC(C)(O)C[NH+]1CCC(NCCN2CC[C@@H](O)C2)CC1 ZINC000639354712 357569250 /nfs/dbraw/zinc/56/92/50/357569250.db2.gz KUAMQQMXGOMJDQ-CQSZACIVSA-N 1 3 285.432 -0.122 20 0 CBADHO [NH3+]CC1(NC(=O)[C@@H]2CNCCC2(F)F)CCOCC1 ZINC000638634926 357514224 /nfs/dbraw/zinc/51/42/24/357514224.db2.gz VDUCJNHYDMGXEW-VIFPVBQESA-N 1 3 277.315 -0.145 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643099 357515000 /nfs/dbraw/zinc/51/50/00/357515000.db2.gz KOWKUCCUDYPPNP-SCVCMEIPSA-N 1 3 270.377 -0.657 20 0 CBADHO CO[C@]1(C[NH2+]CC2(O)CCN(C)CC2)CCOC1 ZINC000638681122 357520864 /nfs/dbraw/zinc/52/08/64/357520864.db2.gz CTSIFZSSZDCFKR-ZDUSSCGKSA-N 1 3 258.362 -0.162 20 0 CBADHO CNCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780982 357528262 /nfs/dbraw/zinc/52/82/62/357528262.db2.gz YPZDNBCCLQOGRF-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802324 357532409 /nfs/dbraw/zinc/53/24/09/357532409.db2.gz TUZYRNGAJNIIKY-BIAAXOCRSA-N 1 3 267.373 -0.003 20 0 CBADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CN2CCC1CC2 ZINC000638853785 357539114 /nfs/dbraw/zinc/53/91/14/357539114.db2.gz JSYINICGKDFAGK-OLZOCXBDSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000638854830 357539306 /nfs/dbraw/zinc/53/93/06/357539306.db2.gz USCGFSNKOFEVRT-CYBMUJFWSA-N 1 3 267.373 -0.083 20 0 CBADHO [NH3+][C@H](CCNC(=O)CN1CCNCC1)Cc1ccccc1 ZINC000638881929 357539905 /nfs/dbraw/zinc/53/99/05/357539905.db2.gz YVJYXLCRUGOQGK-OAHLLOKOSA-N 1 3 290.411 -0.032 20 0 CBADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639841666 357602934 /nfs/dbraw/zinc/60/29/34/357602934.db2.gz XLWXCELRGYFZDL-WOPDTQHZSA-N 1 3 282.388 -0.621 20 0 CBADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639841666 357602937 /nfs/dbraw/zinc/60/29/37/357602937.db2.gz XLWXCELRGYFZDL-WOPDTQHZSA-N 1 3 282.388 -0.621 20 0 CBADHO CCN(CC)CCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845474 357603861 /nfs/dbraw/zinc/60/38/61/357603861.db2.gz LXTVEJXFUAFYPO-PHIMTYICSA-N 1 3 270.377 -0.763 20 0 CBADHO CCN(CC)CCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639845474 357603863 /nfs/dbraw/zinc/60/38/63/357603863.db2.gz LXTVEJXFUAFYPO-PHIMTYICSA-N 1 3 270.377 -0.763 20 0 CBADHO CCN(CC)CCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639845475 357603909 /nfs/dbraw/zinc/60/39/09/357603909.db2.gz LXTVEJXFUAFYPO-QWRGUYRKSA-N 1 3 270.377 -0.763 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](CN)C1 ZINC000641194527 357677982 /nfs/dbraw/zinc/67/79/82/357677982.db2.gz NSXYFCNMJCIKRT-UTUOFQBUSA-N 1 3 269.393 -0.459 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641423954 357704105 /nfs/dbraw/zinc/70/41/05/357704105.db2.gz FWPFITZFJXZILM-GFCCVEGCSA-N 1 3 299.419 -0.471 20 0 CBADHO C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642330414 357753257 /nfs/dbraw/zinc/75/32/57/357753257.db2.gz GHRZFRIDMJURJN-ZDEQEGDKSA-N 1 3 298.431 -0.068 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000642439317 357754424 /nfs/dbraw/zinc/75/44/24/357754424.db2.gz BHDSELJRCGFZSJ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642439563 357755360 /nfs/dbraw/zinc/75/53/60/357755360.db2.gz MCKAZWPGZUHHQP-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000642439427 357755490 /nfs/dbraw/zinc/75/54/90/357755490.db2.gz GSRWKYXDQLWOFF-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000642439399 357755560 /nfs/dbraw/zinc/75/55/60/357755560.db2.gz FODVLFBSAGHPTJ-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000642698733 357758858 /nfs/dbraw/zinc/75/88/58/357758858.db2.gz JXJRLIZVIZETPQ-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CCN(CCNC(=O)C(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000642756022 357761334 /nfs/dbraw/zinc/76/13/34/357761334.db2.gz DDEPMAFCUKUIEC-UHFFFAOYSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642773292 357761536 /nfs/dbraw/zinc/76/15/36/357761536.db2.gz JXOJHXXYYJZSOH-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785842 357762518 /nfs/dbraw/zinc/76/25/18/357762518.db2.gz MSNWDOWVSBVUAS-CHWSQXEVSA-N 1 3 294.399 -0.560 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785654 357762541 /nfs/dbraw/zinc/76/25/41/357762541.db2.gz BGZYXDYABOVZHF-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785780 357762547 /nfs/dbraw/zinc/76/25/47/357762547.db2.gz JPGZPRAGDRUCLL-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785659 357762732 /nfs/dbraw/zinc/76/27/32/357762732.db2.gz BWYCHDRDYUOSHP-STQMWFEESA-N 1 3 294.399 -0.545 20 0 CBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785651 357762781 /nfs/dbraw/zinc/76/27/81/357762781.db2.gz AXYPCGJEWJNUGQ-STQMWFEESA-N 1 3 294.399 -0.560 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642801229 357763964 /nfs/dbraw/zinc/76/39/64/357763964.db2.gz JSJLWUZBBIMBIO-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642904541 357766440 /nfs/dbraw/zinc/76/64/40/357766440.db2.gz YNMFRVGYPIOQOP-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642909222 357767655 /nfs/dbraw/zinc/76/76/55/357767655.db2.gz IMMDOORIXYAJBT-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000642924609 357771179 /nfs/dbraw/zinc/77/11/79/357771179.db2.gz UYAAAWHXMXVFET-JTQLQIEISA-N 1 3 268.361 -0.937 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000642961145 357773199 /nfs/dbraw/zinc/77/31/99/357773199.db2.gz QBTRAEBUKGVTOR-STQMWFEESA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000643592638 357791454 /nfs/dbraw/zinc/79/14/54/357791454.db2.gz RRPARDAHDQBPEV-VXGBXAGGSA-N 1 3 284.404 -0.219 20 0 CBADHO C[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@H]2CCC[C@@H]21 ZINC000643500303 357785912 /nfs/dbraw/zinc/78/59/12/357785912.db2.gz ABLSHPYCSJADGW-RDBSUJKOSA-N 1 3 280.416 -0.119 20 0 CBADHO C[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@H]2CCC[C@@H]21 ZINC000643500303 357785917 /nfs/dbraw/zinc/78/59/17/357785917.db2.gz ABLSHPYCSJADGW-RDBSUJKOSA-N 1 3 280.416 -0.119 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643505816 357785975 /nfs/dbraw/zinc/78/59/75/357785975.db2.gz ZQOZESYDGBUYFF-FRRDWIJNSA-N 1 3 294.399 -0.783 20 0 CBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCNCC1 ZINC000643581007 357788835 /nfs/dbraw/zinc/78/88/35/357788835.db2.gz QBGUNSTVSNVVOY-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000373891193 291190446 /nfs/dbraw/zinc/19/04/46/291190446.db2.gz HKBSCXCMUUSZAC-SCZZXKLOSA-N 1 3 263.345 -0.074 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419432681 283528516 /nfs/dbraw/zinc/52/85/16/283528516.db2.gz YPQKXNJDWVECGL-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN1CCN(CCC[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341966943 216171175 /nfs/dbraw/zinc/17/11/75/216171175.db2.gz MOWBRCBVGUORKK-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CCN(C)C)[N@H+](C)C1CC1 ZINC000342092034 216214762 /nfs/dbraw/zinc/21/47/62/216214762.db2.gz VSNZSOFGDCVYMU-LLVKDONJSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CCN(C)C)[N@@H+](C)C1CC1 ZINC000342092034 216214765 /nfs/dbraw/zinc/21/47/65/216214765.db2.gz VSNZSOFGDCVYMU-LLVKDONJSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@]1(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]C1 ZINC000514949307 291380431 /nfs/dbraw/zinc/38/04/31/291380431.db2.gz DKQTYRGGPKOFKQ-LOWVWBTDSA-N 1 3 252.362 -0.770 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000574340145 335012469 /nfs/dbraw/zinc/01/24/69/335012469.db2.gz WFKVYGLXVOIFGR-WYUUTHIRSA-N 1 3 280.372 -0.855 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000333132205 205055080 /nfs/dbraw/zinc/05/50/80/205055080.db2.gz BWKQDYMDSGSMQF-JSGCOSHPSA-N 1 3 295.431 -0.327 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000020521321 372757910 /nfs/dbraw/zinc/75/79/10/372757910.db2.gz GWTOULBEDIKDCG-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)O1 ZINC000094570983 372776517 /nfs/dbraw/zinc/77/65/17/372776517.db2.gz FGSSYTLYDMBKHK-JLLWLGSASA-N 1 3 253.346 -0.154 20 0 CBADHO CO[C@H](CN)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353432987 220081154 /nfs/dbraw/zinc/08/11/54/220081154.db2.gz SRQAJFZNAHACQM-KOLCDFICSA-N 1 3 261.391 -0.486 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C(N)C(F)(F)F ZINC000353438210 220082040 /nfs/dbraw/zinc/08/20/40/220082040.db2.gz ZIAPPMZNJXMHLE-MRVPVSSYSA-N 1 3 271.283 -0.040 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C(N)C(F)(F)F ZINC000353438210 220082041 /nfs/dbraw/zinc/08/20/41/220082041.db2.gz ZIAPPMZNJXMHLE-MRVPVSSYSA-N 1 3 271.283 -0.040 20 0 CBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000158207463 372812586 /nfs/dbraw/zinc/81/25/86/372812586.db2.gz WPJFPYYDXSUODB-SWLSCSKDSA-N 1 3 298.431 -0.114 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](CN)OC ZINC000353463452 220099242 /nfs/dbraw/zinc/09/92/42/220099242.db2.gz VMKZGSCCTQVZBF-WDEREUQCSA-N 1 3 261.366 -0.567 20 0 CBADHO CO[C@H](CN)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000353460119 220095267 /nfs/dbraw/zinc/09/52/67/220095267.db2.gz NUTPNYPRBDKRLJ-CYBMUJFWSA-N 1 3 265.357 -0.010 20 0 CBADHO CO[C@@H](CN)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000353476973 220104716 /nfs/dbraw/zinc/10/47/16/220104716.db2.gz ZUFYENWNBCBTHB-LBPRGKRZSA-N 1 3 251.330 -0.052 20 0 CBADHO COC[C@@]1(CNC(=O)C(C)S(C)(=O)=O)CCC[NH2+]1 ZINC000261592101 372907267 /nfs/dbraw/zinc/90/72/67/372907267.db2.gz YFFVJJGPPQWPLM-KOLCDFICSA-N 1 3 278.374 -0.696 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333399267 205287505 /nfs/dbraw/zinc/28/75/05/205287505.db2.gz PSXLHODEYUNWFB-RYUDHWBXSA-N 1 3 270.377 -0.242 20 0 CBADHO O[C@@H](C[NH2+]CCN1CCC(O)CC1)CN1CCCC1 ZINC000321414578 372969065 /nfs/dbraw/zinc/96/90/65/372969065.db2.gz USZSBGNFANGLKV-AWEZNQCLSA-N 1 3 271.405 -0.511 20 0 CBADHO CNC(=O)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000331558424 372996396 /nfs/dbraw/zinc/99/63/96/372996396.db2.gz GGBQXIYAIMVTRU-JTQLQIEISA-N 1 3 268.361 -0.094 20 0 CBADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332203243 373002878 /nfs/dbraw/zinc/00/28/78/373002878.db2.gz DKRBLBJGSWTNBR-NWDGAFQWSA-N 1 3 280.372 -0.757 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H](C)CN1 ZINC000333481150 373011605 /nfs/dbraw/zinc/01/16/05/373011605.db2.gz CCRSSUPSXVWPIA-GRYCIOLGSA-N 1 3 270.377 -0.243 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000333136886 373008275 /nfs/dbraw/zinc/00/82/75/373008275.db2.gz CMBWOBWILPHKJS-LFSVMHDDSA-N 1 3 282.388 -0.414 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333949256 373012858 /nfs/dbraw/zinc/01/28/58/373012858.db2.gz XCDORWGQNQCLDR-UONOGXRCSA-N 1 3 295.431 -0.230 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCOC1CNC1 ZINC000349025592 373086491 /nfs/dbraw/zinc/08/64/91/373086491.db2.gz ICVFLKWFBYZILV-ZYHUDNBSSA-N 1 3 255.362 -0.001 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000353553271 220153257 /nfs/dbraw/zinc/15/32/57/220153257.db2.gz QURMMSWGPDIBEB-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000353581241 220172875 /nfs/dbraw/zinc/17/28/75/220172875.db2.gz NJKDIMSOWOEYBI-QWRGUYRKSA-N 1 3 275.418 -0.096 20 0 CBADHO COCCN1CCC([NH2+]C[C@H](O)CN(C)C)CC1 ZINC000361209729 373268131 /nfs/dbraw/zinc/26/81/31/373268131.db2.gz VGLPHZCNGDEHIN-ZDUSSCGKSA-N 1 3 259.394 -0.391 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000363738907 373505645 /nfs/dbraw/zinc/50/56/45/373505645.db2.gz IICOHXHVJMQKJX-YPMHNXCESA-N 1 3 255.362 -0.320 20 0 CBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000365334680 373523910 /nfs/dbraw/zinc/52/39/10/373523910.db2.gz RQEHBQOXBRMMRV-WPRPVWTQSA-N 1 3 263.345 -0.217 20 0 CBADHO CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365851625 373525566 /nfs/dbraw/zinc/52/55/66/373525566.db2.gz WMOBSHHAMHQTCS-LOWVWBTDSA-N 1 3 256.346 -0.206 20 0 CBADHO CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365851625 373525574 /nfs/dbraw/zinc/52/55/74/373525574.db2.gz WMOBSHHAMHQTCS-LOWVWBTDSA-N 1 3 256.346 -0.206 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N(C)C ZINC000367700648 373537933 /nfs/dbraw/zinc/53/79/33/373537933.db2.gz WTWCYCPSVMXNJJ-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCN[C@@H](C)C1 ZINC000417438625 373627765 /nfs/dbraw/zinc/62/77/65/373627765.db2.gz JXRXCKIWDCOQIG-NSHDSACASA-N 1 3 258.366 -0.432 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCN[C@@H](C)C1 ZINC000417438625 373627773 /nfs/dbraw/zinc/62/77/73/373627773.db2.gz JXRXCKIWDCOQIG-NSHDSACASA-N 1 3 258.366 -0.432 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417442549 373628190 /nfs/dbraw/zinc/62/81/90/373628190.db2.gz VBNDEMPBFFWZND-AWEZNQCLSA-N 1 3 284.404 -0.040 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417437000 373628608 /nfs/dbraw/zinc/62/86/08/373628608.db2.gz GAUYMIZFVYIXDL-OLZOCXBDSA-N 1 3 284.404 -0.185 20 0 CBADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)C1CC1 ZINC000418405948 373631681 /nfs/dbraw/zinc/63/16/81/373631681.db2.gz RTNDMBUQXPXNSB-STQMWFEESA-N 1 3 284.404 -0.130 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419147156 373635496 /nfs/dbraw/zinc/63/54/96/373635496.db2.gz BRJHIJBABQVDGE-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000418758245 373635760 /nfs/dbraw/zinc/63/57/60/373635760.db2.gz FISCHDBSMHYBCB-SRVKXCTJSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032398 373635968 /nfs/dbraw/zinc/63/59/68/373635968.db2.gz WMQLSZWONGXIHN-AVGNSLFASA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)(CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCCCC1 ZINC000418843047 373636026 /nfs/dbraw/zinc/63/60/26/373636026.db2.gz RBPDIRXLNRPGGI-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419428880 373638299 /nfs/dbraw/zinc/63/82/99/373638299.db2.gz UCCMAUIFCFXCQF-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419775212 373641629 /nfs/dbraw/zinc/64/16/29/373641629.db2.gz KSJPGVHLBXIJCT-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887564 373643877 /nfs/dbraw/zinc/64/38/77/373643877.db2.gz QPPNKEBWVFSVRR-XQQFMLRXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C[C@H]1C[NH3+] ZINC000423057751 373656652 /nfs/dbraw/zinc/65/66/52/373656652.db2.gz ANWFUYUEEXILHD-VXGBXAGGSA-N 1 3 284.404 -0.550 20 0 CBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424153893 373665040 /nfs/dbraw/zinc/66/50/40/373665040.db2.gz LVNVBJHSLNZIED-YVECIDJPSA-N 1 3 294.399 -0.560 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000514673724 373759276 /nfs/dbraw/zinc/75/92/76/373759276.db2.gz JLWXPRZZIOJICD-KOLCDFICSA-N 1 3 270.377 -0.657 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000515224660 373779724 /nfs/dbraw/zinc/77/97/24/373779724.db2.gz WYSMKDYLTXDPPL-WXHSDQCUSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2CNCCO2)C1 ZINC000515302452 373781487 /nfs/dbraw/zinc/78/14/87/373781487.db2.gz UXBBQYFJWQVWBS-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]2CNCCO2)C1 ZINC000515302452 373781494 /nfs/dbraw/zinc/78/14/94/373781494.db2.gz UXBBQYFJWQVWBS-RYUDHWBXSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]1CN(CCN2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000515846087 373797856 /nfs/dbraw/zinc/79/78/56/373797856.db2.gz CDQFDVVYCQRZID-ZIAGYGMSSA-N 1 3 298.431 -0.506 20 0 CBADHO CN1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](CN)C1 ZINC000521986468 373853857 /nfs/dbraw/zinc/85/38/57/373853857.db2.gz HFWGIHKHBYPKQO-JSGCOSHPSA-N 1 3 283.420 -0.340 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986556 373854024 /nfs/dbraw/zinc/85/40/24/373854024.db2.gz LNVUHBLYANQEMA-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529354182 374010010 /nfs/dbraw/zinc/01/00/10/374010010.db2.gz JUEQARZSUSBKFB-DGCLKSJQSA-N 1 3 282.388 -0.363 20 0 CBADHO CC(C)[C@@H]1C[NH2+]CCN1CCC(=O)N1CCNCC1 ZINC000530228975 374069562 /nfs/dbraw/zinc/06/95/62/374069562.db2.gz JQTAGPYYIPXTSE-ZDUSSCGKSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(C)[C@@H]1CNCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000530228975 374069570 /nfs/dbraw/zinc/06/95/70/374069570.db2.gz JQTAGPYYIPXTSE-ZDUSSCGKSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(C)[C@@H]1CNCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000530228975 374069574 /nfs/dbraw/zinc/06/95/74/374069574.db2.gz JQTAGPYYIPXTSE-ZDUSSCGKSA-N 1 3 268.405 -0.262 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@@H]21 ZINC000566561412 374330931 /nfs/dbraw/zinc/33/09/31/374330931.db2.gz YETKVQSKHSBRHH-FVCCEPFGSA-N 1 3 267.373 -0.049 20 0 CBADHO O=C(CC[NH2+]C1CC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583273696 374358754 /nfs/dbraw/zinc/35/87/54/374358754.db2.gz YKFVGYMIJCVMSV-UHFFFAOYSA-N 1 3 279.348 -0.705 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000583493596 374363128 /nfs/dbraw/zinc/36/31/28/374363128.db2.gz KDBIBGOMPWBUOO-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000577964064 374346019 /nfs/dbraw/zinc/34/60/19/374346019.db2.gz XHWFZLYOZQOBRW-WHOHXGKFSA-N 1 3 280.372 -0.726 20 0 CBADHO C[NH+](C)CCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000643770524 374409640 /nfs/dbraw/zinc/40/96/40/374409640.db2.gz KLDAMFXQVCOMDA-JTQLQIEISA-N 1 3 256.350 -0.996 20 0 CBADHO CO[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000644106036 374489213 /nfs/dbraw/zinc/48/92/13/374489213.db2.gz JXHHYINJMDBTRQ-JHJVBQTASA-N 1 3 285.388 -0.280 20 0 CBADHO COCCNCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221441 374651675 /nfs/dbraw/zinc/65/16/75/374651675.db2.gz MVPVSIFQLMMURK-UHFFFAOYSA-N 1 3 278.356 -0.034 20 0 CBADHO CN(C)CCn1cc(NC(=O)COCC[NH3+])cn1 ZINC000645803302 374700478 /nfs/dbraw/zinc/70/04/78/374700478.db2.gz OENKGVHDJHGHBY-UHFFFAOYSA-N 1 3 255.322 -0.642 20 0 CBADHO COC1CCN(CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000646180858 374750649 /nfs/dbraw/zinc/75/06/49/374750649.db2.gz GULQMWBFZGQROW-ZDUSSCGKSA-N 1 3 285.388 -0.408 20 0 CBADHO CN1CCN(CCNC(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000574533424 335027932 /nfs/dbraw/zinc/02/79/32/335027932.db2.gz JJKQKYVGCSWLIG-LBPRGKRZSA-N 1 3 283.420 -0.327 20 0 CBADHO C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646003032 374725467 /nfs/dbraw/zinc/72/54/67/374725467.db2.gz OGFIVRHDPYCLJQ-NWDGAFQWSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003032 374725476 /nfs/dbraw/zinc/72/54/76/374725476.db2.gz OGFIVRHDPYCLJQ-NWDGAFQWSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)CCOC1C[NH2+]C1 ZINC000646061852 374736359 /nfs/dbraw/zinc/73/63/59/374736359.db2.gz UORTVSGNIOQLNX-UHFFFAOYSA-N 1 3 298.431 -0.539 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000646077552 374738237 /nfs/dbraw/zinc/73/82/37/374738237.db2.gz WTKZZIXMQNCYNR-WISYIIOYSA-N 1 3 255.362 -0.038 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000646077549 374738701 /nfs/dbraw/zinc/73/87/01/374738701.db2.gz WTKZZIXMQNCYNR-FIQHERPVSA-N 1 3 255.362 -0.038 20 0 CBADHO CN(C(=O)CNC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000646626767 374795348 /nfs/dbraw/zinc/79/53/48/374795348.db2.gz DHNACOGFYHUWEZ-LBPRGKRZSA-N 1 3 255.362 -0.035 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000646635598 374796432 /nfs/dbraw/zinc/79/64/32/374796432.db2.gz TUZYRNGAJNIIKY-KZWBYHQPSA-N 1 3 267.373 -0.003 20 0 CBADHO C[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)[C@H]1C[NH3+] ZINC000646771604 374811326 /nfs/dbraw/zinc/81/13/26/374811326.db2.gz YXMFUZYGGNPMIL-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803746 374817110 /nfs/dbraw/zinc/81/71/10/374817110.db2.gz LTFXKBSLCVLUNH-YUMQZZPRSA-N 1 3 267.337 -0.864 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000646851351 374827378 /nfs/dbraw/zinc/82/73/78/374827378.db2.gz UAFNUGBOISXXPP-ACZMJKKPSA-N 1 3 255.240 -0.549 20 0 CBADHO C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@@H](C)CN1 ZINC000646298132 374767673 /nfs/dbraw/zinc/76/76/73/374767673.db2.gz DNOQROANWUTBMR-GRYCIOLGSA-N 1 3 292.387 -0.148 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000646856513 374830051 /nfs/dbraw/zinc/83/00/51/374830051.db2.gz ISMYHTVUHQIZLS-SRVKXCTJSA-N 1 3 271.361 -0.670 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646343915 374772135 /nfs/dbraw/zinc/77/21/35/374772135.db2.gz VUTMXCLAWWYTHU-FRRDWIJNSA-N 1 3 267.373 -0.035 20 0 CBADHO COCCNCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372208 374775315 /nfs/dbraw/zinc/77/53/15/374775315.db2.gz OWWHHCOOGULRJJ-UHFFFAOYSA-N 1 3 255.362 -0.176 20 0 CBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)COCC[NH3+] ZINC000646428223 374778403 /nfs/dbraw/zinc/77/84/03/374778403.db2.gz AQOGZSVSBDWWPC-GFCCVEGCSA-N 1 3 273.377 -0.469 20 0 CBADHO COCCNCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646906015 374837190 /nfs/dbraw/zinc/83/71/90/374837190.db2.gz OUZNZVFPZMTPLO-CYBMUJFWSA-N 1 3 295.387 -0.227 20 0 CBADHO CC[NH+]1CCC(CNC(=O)COC2CNC2)CC1 ZINC000574635131 335035446 /nfs/dbraw/zinc/03/54/46/335035446.db2.gz XLYRDZXELHQPOU-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO CCN(CC)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000236841974 284574950 /nfs/dbraw/zinc/57/49/50/284574950.db2.gz CYZQWJDYFGVJAX-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)CN1 ZINC000356399101 248246811 /nfs/dbraw/zinc/24/68/11/248246811.db2.gz YFCDKAYNMWAHKE-UTUOFQBUSA-N 1 3 255.362 -0.036 20 0 CBADHO CS(=O)(=O)NCC[C@H]1CCCCN1CCOCC[NH3+] ZINC000357100416 248322561 /nfs/dbraw/zinc/32/25/61/248322561.db2.gz FILAHZPYLDKELR-GFCCVEGCSA-N 1 3 293.433 -0.245 20 0 CBADHO C[NH2+]CCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000357249329 248339530 /nfs/dbraw/zinc/33/95/30/248339530.db2.gz RZZFWWFNBDTTTH-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO NC(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000515840272 248920870 /nfs/dbraw/zinc/92/08/70/248920870.db2.gz JCKWMQCWAVIRBA-RKDXNWHRSA-N 1 3 280.294 -0.618 20 0 CBADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000346863709 218040676 /nfs/dbraw/zinc/04/06/76/218040676.db2.gz XYUWUDZNQNBZEI-WCFLWFBJSA-N 1 3 292.383 -0.357 20 0 CBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000423716163 284775412 /nfs/dbraw/zinc/77/54/12/284775412.db2.gz IASDAMKCUSBIRY-VXGBXAGGSA-N 1 3 284.404 -0.265 20 0 CBADHO CC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167212761 207397379 /nfs/dbraw/zinc/39/73/79/207397379.db2.gz IACHLJUKXVNHCI-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342719940 532978605 /nfs/dbraw/zinc/97/86/05/532978605.db2.gz YHPJWPHQBMHZJX-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419007225 207633895 /nfs/dbraw/zinc/63/38/95/207633895.db2.gz UDYHEZVGQSUIST-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@H]1CCCN(C(=O)C(=O)NCCN(C)C2CC2)[C@@H]1C[NH3+] ZINC000419097556 207645217 /nfs/dbraw/zinc/64/52/17/207645217.db2.gz GANOCSQGQDGDAH-WCQYABFASA-N 1 3 296.415 -0.217 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423382762 285028342 /nfs/dbraw/zinc/02/83/42/285028342.db2.gz PCOHCGMGOXACMB-UKRRQHHQSA-N 1 3 299.415 -0.161 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417567432 285035082 /nfs/dbraw/zinc/03/50/82/285035082.db2.gz NNUVYHRGZBXABY-QWRGUYRKSA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000420149323 207797358 /nfs/dbraw/zinc/79/73/58/207797358.db2.gz VBLRUGPFNZZIAN-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCC1 ZINC000423654809 207923959 /nfs/dbraw/zinc/92/39/59/207923959.db2.gz UBRVVBRXUOLFTD-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO COCCNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368917385 285064790 /nfs/dbraw/zinc/06/47/90/285064790.db2.gz CORVPCQVYPRFOA-QWRGUYRKSA-N 1 3 256.350 -0.390 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000427577184 208063061 /nfs/dbraw/zinc/06/30/61/208063061.db2.gz JRGLQXXUQCVNJG-GRYCIOLGSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H](C)N1 ZINC000429401830 208122159 /nfs/dbraw/zinc/12/21/59/208122159.db2.gz GJWPRVTWUUZURM-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO CNS(=O)(=O)CCCN1CCC(OCCC[NH3+])CC1 ZINC000430579773 208165913 /nfs/dbraw/zinc/16/59/13/208165913.db2.gz KPPOLMHLLCADEY-UHFFFAOYSA-N 1 3 293.433 -0.245 20 0 CBADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(C[NH3+])CC1 ZINC000430638349 208168655 /nfs/dbraw/zinc/16/86/55/208168655.db2.gz FMJXNNINBKDCGJ-YPMHNXCESA-N 1 3 296.415 -0.231 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430725502 208175099 /nfs/dbraw/zinc/17/50/99/208175099.db2.gz UEBQTEUERFTZMC-AAEUAGOBSA-N 1 3 298.431 -0.020 20 0 CBADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(C[NH3+])CC1 ZINC000430638348 208169821 /nfs/dbraw/zinc/16/98/21/208169821.db2.gz FMJXNNINBKDCGJ-WCQYABFASA-N 1 3 296.415 -0.231 20 0 CBADHO O=C(COC1CNC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000430673484 208170752 /nfs/dbraw/zinc/17/07/52/208170752.db2.gz CYAFUPLPVQTLTK-RYUDHWBXSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C(COC1CNC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430673484 208170757 /nfs/dbraw/zinc/17/07/57/208170757.db2.gz CYAFUPLPVQTLTK-RYUDHWBXSA-N 1 3 253.346 -0.282 20 0 CBADHO COCCNCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000430704974 208171347 /nfs/dbraw/zinc/17/13/47/208171347.db2.gz KANYGMSEHWGSEH-UHFFFAOYSA-N 1 3 273.377 -0.551 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430711722 208176459 /nfs/dbraw/zinc/17/64/59/208176459.db2.gz GCDSCGUREZAPRX-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430729634 208174642 /nfs/dbraw/zinc/17/46/42/208174642.db2.gz HBETUTMURFCMCY-NEPJUHHUSA-N 1 3 271.361 -0.798 20 0 CBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCC[NH3+])cn1 ZINC000430787977 208180727 /nfs/dbraw/zinc/18/07/27/208180727.db2.gz JYKMYSGZPIPAMY-UHFFFAOYSA-N 1 3 296.375 -0.762 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)COC2CNC2)CC[N@@H+]1C ZINC000430785684 208182018 /nfs/dbraw/zinc/18/20/18/208182018.db2.gz YHLFSTOBZJFYON-QWRGUYRKSA-N 1 3 255.362 -0.084 20 0 CBADHO C[C@H]1C[C@@H](N(C)C(=O)COC2CNC2)CC[N@H+]1C ZINC000430785684 208182024 /nfs/dbraw/zinc/18/20/24/208182024.db2.gz YHLFSTOBZJFYON-QWRGUYRKSA-N 1 3 255.362 -0.084 20 0 CBADHO C[NH+](C)C1(CNC(=O)COC2CNC2)CCCC1 ZINC000430825358 208185221 /nfs/dbraw/zinc/18/52/21/208185221.db2.gz SHCNXFMTBBSTPC-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430878029 208187374 /nfs/dbraw/zinc/18/73/74/208187374.db2.gz LQBDDDJAWJCBPB-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000418571707 285078569 /nfs/dbraw/zinc/07/85/69/285078569.db2.gz ZDXHOOKAQICGBC-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000430920824 208190410 /nfs/dbraw/zinc/19/04/10/208190410.db2.gz QGWFEUAXUHVMNZ-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)CNCCOC)CC1 ZINC000430909906 208190858 /nfs/dbraw/zinc/19/08/58/208190858.db2.gz QJHFSFULUKXMCO-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO CCN1CCC(NC(=O)CN2CC[NH2+][C@@H](C)C2)CC1 ZINC000430969498 208195483 /nfs/dbraw/zinc/19/54/83/208195483.db2.gz DDZLOONZHFAAPE-LBPRGKRZSA-N 1 3 268.405 -0.119 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000431002862 208197147 /nfs/dbraw/zinc/19/71/47/208197147.db2.gz CCLUYUCCHWPYCH-CHWSQXEVSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(CCCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431010813 208199381 /nfs/dbraw/zinc/19/93/81/208199381.db2.gz RSONXCWLONKOTD-CQSZACIVSA-N 1 3 298.431 -0.491 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000431012790 208199912 /nfs/dbraw/zinc/19/99/12/208199912.db2.gz GWAKPKYXILPVTG-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO CN1CC[C@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375257 208244275 /nfs/dbraw/zinc/24/42/75/208244275.db2.gz HCZPYJGXSJVWDX-VXGBXAGGSA-N 1 3 292.387 -0.116 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433156789 208240839 /nfs/dbraw/zinc/24/08/39/208240839.db2.gz CXXJHODSDUJSLM-ZDUSSCGKSA-N 1 3 270.421 -0.029 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000434668840 208265103 /nfs/dbraw/zinc/26/51/03/208265103.db2.gz DFPDTDGRGKBICF-QJPTWQEYSA-N 1 3 282.388 -0.547 20 0 CBADHO C[NH+](C)C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCC1 ZINC000438538799 208309915 /nfs/dbraw/zinc/30/99/15/208309915.db2.gz WKHSLEIZLKXTRC-ZDUSSCGKSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000574857917 335052396 /nfs/dbraw/zinc/05/23/96/335052396.db2.gz KLDZGWZOGRVEAC-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000574857917 335052397 /nfs/dbraw/zinc/05/23/97/335052397.db2.gz KLDZGWZOGRVEAC-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000574857913 335052609 /nfs/dbraw/zinc/05/26/09/335052609.db2.gz KLDZGWZOGRVEAC-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000574857913 335052611 /nfs/dbraw/zinc/05/26/11/335052611.db2.gz KLDZGWZOGRVEAC-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(N)=O ZINC000338095111 285243678 /nfs/dbraw/zinc/24/36/78/285243678.db2.gz VDXMAHQYJNJJEX-GFCCVEGCSA-N 1 3 299.419 -0.471 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(N)=O ZINC000338095111 285243679 /nfs/dbraw/zinc/24/36/79/285243679.db2.gz VDXMAHQYJNJJEX-GFCCVEGCSA-N 1 3 299.419 -0.471 20 0 CBADHO C[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044789 335056393 /nfs/dbraw/zinc/05/63/93/335056393.db2.gz YOBUOYUAIKPGFQ-YUMQZZPRSA-N 1 3 268.283 -0.714 20 0 CBADHO COC[C@]1(CNC(=O)[C@H](N)CC(F)F)CCC[NH2+]1 ZINC000521041595 260031816 /nfs/dbraw/zinc/03/18/16/260031816.db2.gz RNSMCRGXILAWBS-LDYMZIIASA-N 1 3 265.304 -0.146 20 0 CBADHO C[N@H+](C[C@@H](O)CNC[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117400 335068358 /nfs/dbraw/zinc/06/83/58/335068358.db2.gz MPOQBOJRCHRMGN-WCQYABFASA-N 1 3 255.362 -0.300 20 0 CBADHO C[N@@H+](C[C@@H](O)CNC[C@@]1(C)CCC(=O)N1)C1CC1 ZINC000575117400 335068359 /nfs/dbraw/zinc/06/83/59/335068359.db2.gz MPOQBOJRCHRMGN-WCQYABFASA-N 1 3 255.362 -0.300 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000262438543 285621231 /nfs/dbraw/zinc/62/12/31/285621231.db2.gz GXTMRBNPAMTRTM-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO O=C([C@@H]1CCCCN1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375956886 304318643 /nfs/dbraw/zinc/31/86/43/304318643.db2.gz FPCGZUKAZXAUSP-STQMWFEESA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419243279 296577528 /nfs/dbraw/zinc/57/75/28/296577528.db2.gz SJASDNMORYGTTP-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776238 296585309 /nfs/dbraw/zinc/58/53/09/296585309.db2.gz AHDZHAHBWVFIRS-FRRDWIJNSA-N 1 3 296.415 -0.312 20 0 CBADHO CO[C@H](C[NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000353438070 285993655 /nfs/dbraw/zinc/99/36/55/285993655.db2.gz YUWDBRWFLIQKQI-JHJVBQTASA-N 1 3 287.404 -0.034 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418759564 297762615 /nfs/dbraw/zinc/76/26/15/297762615.db2.gz GLUGRRBEUHZSQW-AXFHLTTASA-N 1 3 256.350 -0.633 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449367361 292337659 /nfs/dbraw/zinc/33/76/59/292337659.db2.gz VPZGGGJOOSNDDG-VXGBXAGGSA-N 1 3 257.378 -0.074 20 0 CBADHO COCCCN1CCCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000365224627 292351638 /nfs/dbraw/zinc/35/16/38/292351638.db2.gz XNDMVGTUZSXFJH-ZDUSSCGKSA-N 1 3 287.404 -0.079 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419138709 289540543 /nfs/dbraw/zinc/54/05/43/289540543.db2.gz REJQAUJTPRCWKK-GRYCIOLGSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419126846 286833667 /nfs/dbraw/zinc/83/36/67/286833667.db2.gz YNCZWUOARLXZIC-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](C)CN1 ZINC000418767192 296832561 /nfs/dbraw/zinc/83/25/61/296832561.db2.gz NTDJORGUAPYEFT-MXWKQRLJSA-N 1 3 256.350 -0.633 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419147155 298680492 /nfs/dbraw/zinc/68/04/92/298680492.db2.gz BRJHIJBABQVDGE-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO COCCN1CCC([NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000361209728 292524060 /nfs/dbraw/zinc/52/40/60/292524060.db2.gz VGLPHZCNGDEHIN-CYBMUJFWSA-N 1 3 259.394 -0.391 20 0 CBADHO CCN1CCC(N(C)C(=O)CN2CC[NH2+]CC2)CC1 ZINC000037631238 411624037 /nfs/dbraw/zinc/62/40/37/411624037.db2.gz RBMLRQCYFLHZNV-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000372902872 292563100 /nfs/dbraw/zinc/56/31/00/292563100.db2.gz JFJDXYWHGCJSCU-LALPHHSUSA-N 1 3 299.415 -0.129 20 0 CBADHO CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H](C)[NH3+] ZINC000662750120 413993679 /nfs/dbraw/zinc/99/36/79/413993679.db2.gz PWDAPROYDRSEFF-PRHODGIISA-N 1 3 281.360 -0.124 20 0 CBADHO CN(C(=O)CN)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899511 414061579 /nfs/dbraw/zinc/06/15/79/414061579.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(C(=O)CN)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899511 414061586 /nfs/dbraw/zinc/06/15/86/414061586.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 1 3 254.378 -0.428 20 0 CBADHO CC[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N(C)C ZINC000367376878 287467599 /nfs/dbraw/zinc/46/75/99/287467599.db2.gz DQBUZQQJPCKBRA-QWHCGFSZSA-N 1 3 268.405 -0.167 20 0 CBADHO [NH3+]CCn1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)nn1 ZINC000089699765 544436453 /nfs/dbraw/zinc/43/64/53/544436453.db2.gz QURXFMXTYZNHBJ-LBPRGKRZSA-N 1 3 292.387 -0.063 20 0 CBADHO [NH3+]CCn1cc(C(=O)NCCN2CCCC2)nn1 ZINC000089698587 544436472 /nfs/dbraw/zinc/43/64/72/544436472.db2.gz COVYZMHFKBOPAS-UHFFFAOYSA-N 1 3 252.322 -0.938 20 0 CBADHO COCCN(C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061736 544446714 /nfs/dbraw/zinc/44/67/14/544446714.db2.gz ZQCBPTNRMGBKAN-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO C[NH+](C)[C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000098061743 544447140 /nfs/dbraw/zinc/44/71/40/544447140.db2.gz KSVMZKQVPBSNMZ-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000155462592 544469714 /nfs/dbraw/zinc/46/97/14/544469714.db2.gz DBLFYKSVZDQCRP-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161650652 544475452 /nfs/dbraw/zinc/47/54/52/544475452.db2.gz YFZQWBLUQPCLDD-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOC2(CNC2)C1 ZINC000333949260 544547036 /nfs/dbraw/zinc/54/70/36/544547036.db2.gz XCKFCNJJALXWCX-OLZOCXBDSA-N 1 3 294.399 -0.003 20 0 CBADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCOC2(CNC2)C1 ZINC000333949260 544547041 /nfs/dbraw/zinc/54/70/41/544547041.db2.gz XCKFCNJJALXWCX-OLZOCXBDSA-N 1 3 294.399 -0.003 20 0 CBADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CNC(=O)C1 ZINC000660560138 419406230 /nfs/dbraw/zinc/40/62/30/419406230.db2.gz KBKPZIGCOHFWEA-ZDUSSCGKSA-N 1 3 270.421 -0.062 20 0 CBADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CNC(=O)C1 ZINC000660560138 419406237 /nfs/dbraw/zinc/40/62/37/419406237.db2.gz KBKPZIGCOHFWEA-ZDUSSCGKSA-N 1 3 270.421 -0.062 20 0 CBADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)CN1CCOCC1 ZINC000037904521 419411691 /nfs/dbraw/zinc/41/16/91/419411691.db2.gz GXPFBIYMZJFGOE-ZFWWWQNUSA-N 1 3 283.416 -0.247 20 0 CBADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904521 419411704 /nfs/dbraw/zinc/41/17/04/419411704.db2.gz GXPFBIYMZJFGOE-ZFWWWQNUSA-N 1 3 283.416 -0.247 20 0 CBADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1 ZINC000037904521 419411722 /nfs/dbraw/zinc/41/17/22/419411722.db2.gz GXPFBIYMZJFGOE-ZFWWWQNUSA-N 1 3 283.416 -0.247 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)CN2CCNCC2)C1 ZINC000037643514 419412885 /nfs/dbraw/zinc/41/28/85/419412885.db2.gz AMGHXVYJRUEFOQ-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)CN2CCNCC2)C1 ZINC000037643514 419412893 /nfs/dbraw/zinc/41/28/93/419412893.db2.gz AMGHXVYJRUEFOQ-LBPRGKRZSA-N 1 3 254.378 -0.650 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnn1C ZINC000103213216 419479674 /nfs/dbraw/zinc/47/96/74/419479674.db2.gz GWMPBDDJUIVUMH-UHFFFAOYSA-N 1 3 267.377 -0.015 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CCC([NH3+])CC1 ZINC000126299828 419494512 /nfs/dbraw/zinc/49/45/12/419494512.db2.gz JNPONHDPBCKVPG-CBINBANVSA-N 1 3 270.377 -0.528 20 0 CBADHO CN(C)CCn1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)n1 ZINC000638088183 419525187 /nfs/dbraw/zinc/52/51/87/419525187.db2.gz DAAGMACEVNHENH-NSHDSACASA-N 1 3 263.345 0.431 20 0 CBADHO CN1CCC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638075342 419525487 /nfs/dbraw/zinc/52/54/87/419525487.db2.gz DZVQYMCNSKBVST-WCQYABFASA-N 1 3 255.362 -0.048 20 0 CBADHO CNCC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000193129888 419543901 /nfs/dbraw/zinc/54/39/01/419543901.db2.gz KWWKVKVCWBKDLW-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CNCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000193129888 419543906 /nfs/dbraw/zinc/54/39/06/419543906.db2.gz KWWKVKVCWBKDLW-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CCCN1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000389564087 544576907 /nfs/dbraw/zinc/57/69/07/544576907.db2.gz CTOYOUOQVRBCIB-JTQLQIEISA-N 1 3 266.349 -0.549 20 0 CBADHO CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256739 419561235 /nfs/dbraw/zinc/56/12/35/419561235.db2.gz YKIMSOXGUQRYRV-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256739 419561241 /nfs/dbraw/zinc/56/12/41/419561241.db2.gz YKIMSOXGUQRYRV-RYUDHWBXSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662248230 419562525 /nfs/dbraw/zinc/56/25/25/419562525.db2.gz WPESHRYVEGPZBO-QJPTWQEYSA-N 1 3 255.362 -0.445 20 0 CBADHO C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)N(C)C1CC1 ZINC000219946155 419563896 /nfs/dbraw/zinc/56/38/96/419563896.db2.gz ACFPTNQAVVFHKA-SECBINFHSA-N 1 3 266.349 -0.551 20 0 CBADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662259333 419565996 /nfs/dbraw/zinc/56/59/96/419565996.db2.gz VDOCUWHQXKEXFG-MNOVXSKESA-N 1 3 255.362 -0.179 20 0 CBADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662259333 419566003 /nfs/dbraw/zinc/56/60/03/419566003.db2.gz VDOCUWHQXKEXFG-MNOVXSKESA-N 1 3 255.362 -0.179 20 0 CBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662272209 419566535 /nfs/dbraw/zinc/56/65/35/419566535.db2.gz MDEAPXBSDGFWBV-OLZOCXBDSA-N 1 3 284.404 -0.706 20 0 CBADHO O[C@H](CNCCCn1ccnn1)C[NH+]1CCCC1 ZINC000126901754 419496377 /nfs/dbraw/zinc/49/63/77/419496377.db2.gz LLUQRHVFNSGSEE-GFCCVEGCSA-N 1 3 253.350 -0.286 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647705050 419635630 /nfs/dbraw/zinc/63/56/30/419635630.db2.gz VHVANMBRJPZSSM-PWSUYJOCSA-N 1 3 270.377 -0.656 20 0 CBADHO C[C@H](O)CN1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662261309 419570023 /nfs/dbraw/zinc/57/00/23/419570023.db2.gz HLDWFOACYGJWJI-HZSPNIEDSA-N 1 3 283.416 -0.106 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000236844446 419571641 /nfs/dbraw/zinc/57/16/41/419571641.db2.gz FGMVGNXHJIFPLL-ZDUSSCGKSA-N 1 3 270.421 -0.014 20 0 CBADHO Cn1cc(CN2CCCN(C[C@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662277836 419575332 /nfs/dbraw/zinc/57/53/32/419575332.db2.gz UNCOLOIQRJXODP-OAHLLOKOSA-N 1 3 293.415 -0.084 20 0 CBADHO CCO[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)C[C@H]1C[NH3+] ZINC000662287423 419578253 /nfs/dbraw/zinc/57/82/53/419578253.db2.gz ZTXMATJMTOEBOB-FRRDWIJNSA-N 1 3 269.389 -0.197 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317745 419584616 /nfs/dbraw/zinc/58/46/16/419584616.db2.gz RPCPONRKGOQLBL-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317745 419584624 /nfs/dbraw/zinc/58/46/24/419584624.db2.gz RPCPONRKGOQLBL-GXTWGEPZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662314325 419585476 /nfs/dbraw/zinc/58/54/76/419585476.db2.gz DVPHOPQOMHBKAK-ZYHUDNBSSA-N 1 3 253.346 -0.295 20 0 CBADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662314325 419585479 /nfs/dbraw/zinc/58/54/79/419585479.db2.gz DVPHOPQOMHBKAK-ZYHUDNBSSA-N 1 3 253.346 -0.295 20 0 CBADHO CS(=O)(=O)N1CC[C@H](CN[C@H]2CCC[NH2+]C2)C1 ZINC000647549466 419607135 /nfs/dbraw/zinc/60/71/35/419607135.db2.gz BWEIWMTZAJLYGF-MNOVXSKESA-N 1 3 261.391 -0.391 20 0 CBADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000647541872 419608462 /nfs/dbraw/zinc/60/84/62/419608462.db2.gz ZNVIYZMXYUGNRP-WDEREUQCSA-N 1 3 290.358 -0.277 20 0 CBADHO CN(C)C[C@H](CO)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535940 419608631 /nfs/dbraw/zinc/60/86/31/419608631.db2.gz KBSZLXLWQGDRTC-HZPDHXFCSA-N 1 3 295.427 -0.009 20 0 CBADHO CN(C)C[C@H](CO)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535940 419608638 /nfs/dbraw/zinc/60/86/38/419608638.db2.gz KBSZLXLWQGDRTC-HZPDHXFCSA-N 1 3 295.427 -0.009 20 0 CBADHO CN(C)C[C@@H](CO)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647535941 419608828 /nfs/dbraw/zinc/60/88/28/419608828.db2.gz KBSZLXLWQGDRTC-JKSUJKDBSA-N 1 3 295.427 -0.009 20 0 CBADHO CN(C)C[C@@H](CO)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647535941 419608831 /nfs/dbraw/zinc/60/88/31/419608831.db2.gz KBSZLXLWQGDRTC-JKSUJKDBSA-N 1 3 295.427 -0.009 20 0 CBADHO COCCN(C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311177376 419619822 /nfs/dbraw/zinc/61/98/22/419619822.db2.gz WTVUJEPCHIKXAI-UPJWGTAASA-N 1 3 257.378 -0.923 20 0 CBADHO CC(C)[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CCN1 ZINC000662515692 419629603 /nfs/dbraw/zinc/62/96/03/419629603.db2.gz SBMKODCBTWULRG-SNVBAGLBSA-N 1 3 266.349 -0.693 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000662514187 419630381 /nfs/dbraw/zinc/63/03/81/419630381.db2.gz LDKKOUPKBFUWTH-DTWKUNHWSA-N 1 3 252.322 -0.941 20 0 CBADHO CN(C)CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662516279 419630904 /nfs/dbraw/zinc/63/09/04/419630904.db2.gz DDYMVXYBEFBPIK-SECBINFHSA-N 1 3 251.334 -0.222 20 0 CBADHO O=C([C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000647824832 419662228 /nfs/dbraw/zinc/66/22/28/419662228.db2.gz YYHCZJUOFSVXLE-UONOGXRCSA-N 1 3 280.416 -0.260 20 0 CBADHO CC1(C)CNCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000647841363 419669389 /nfs/dbraw/zinc/66/93/89/419669389.db2.gz NDUCCHOEGHJSAH-NSHDSACASA-N 1 3 292.387 -0.146 20 0 CBADHO C[NH2+]CCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662658959 419669878 /nfs/dbraw/zinc/66/98/78/419669878.db2.gz GXKVYGBWAPWJHW-UHFFFAOYSA-N 1 3 258.366 -0.926 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH2+]1 ZINC000662660347 419673150 /nfs/dbraw/zinc/67/31/50/419673150.db2.gz URAQVWIOBFBQFX-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000662659372 419674757 /nfs/dbraw/zinc/67/47/57/419674757.db2.gz KSLABPJQTCURFB-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662660710 419675134 /nfs/dbraw/zinc/67/51/34/419675134.db2.gz YMLARRIOFVCRTD-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO CCN1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662663377 419675452 /nfs/dbraw/zinc/67/54/52/419675452.db2.gz DWJGFSCREVMCDQ-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCSC1 ZINC000662681142 419682898 /nfs/dbraw/zinc/68/28/98/419682898.db2.gz BBXJDRMWCQANMV-LOWVWBTDSA-N 1 3 287.429 -0.096 20 0 CBADHO O=C1C[C@H]2CC[C@@H](CN1)N2CCN1CC[NH2+]CC1 ZINC000647889293 419686668 /nfs/dbraw/zinc/68/66/68/419686668.db2.gz CGMNEGSPZJSARL-NEPJUHHUSA-N 1 3 252.362 -0.756 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000662702848 419692460 /nfs/dbraw/zinc/69/24/60/419692460.db2.gz NWBUVHYNCNTJQP-WCQGTBRESA-N 1 3 253.346 -0.297 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662702996 419692951 /nfs/dbraw/zinc/69/29/51/419692951.db2.gz GCLZKQZCAAEKSI-GHMZBOCLSA-N 1 3 259.350 -0.955 20 0 CBADHO CCCN1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662703209 419694947 /nfs/dbraw/zinc/69/49/47/419694947.db2.gz GWIIYLCXHRHSSU-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CC1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000662707457 419695263 /nfs/dbraw/zinc/69/52/63/419695263.db2.gz FKBXJVHDVULUOY-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662713839 419696825 /nfs/dbraw/zinc/69/68/25/419696825.db2.gz ZJPYZFQJOVCEKR-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662715787 419699146 /nfs/dbraw/zinc/69/91/46/419699146.db2.gz MJJDZJWGORFCOB-JOCQHMNTSA-N 1 3 296.415 -0.264 20 0 CBADHO [NH3+]C1(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000662716722 419699217 /nfs/dbraw/zinc/69/92/17/419699217.db2.gz WAYCWGKCZSRLAQ-UHFFFAOYSA-N 1 3 294.399 -0.366 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(C)S(C)(=O)=O ZINC000662726579 419704395 /nfs/dbraw/zinc/70/43/95/419704395.db2.gz FAWQAPQDMZHAJU-DTWKUNHWSA-N 1 3 250.364 -0.091 20 0 CBADHO COCCCN(C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662743282 419708529 /nfs/dbraw/zinc/70/85/29/419708529.db2.gz NFZDEYYYIAVILY-NWDGAFQWSA-N 1 3 273.377 -0.565 20 0 CBADHO CN(CC[C@@H]1CC[NH2+]C1)CCN1CCCS1(=O)=O ZINC000647995428 419709032 /nfs/dbraw/zinc/70/90/32/419709032.db2.gz XFDLDRIWTUYYEW-LBPRGKRZSA-N 1 3 275.418 -0.047 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NCCCN1CCN(C)CC1 ZINC000662754321 419711424 /nfs/dbraw/zinc/71/14/24/419711424.db2.gz KVPWKAWIAACKPV-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CCCN(C(=O)COC1(C)CNC1)[C@@H]1CC[NH2+]C1 ZINC000647767960 419651822 /nfs/dbraw/zinc/65/18/22/419651822.db2.gz CUEYFKNSWUAMMF-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000662790254 419727015 /nfs/dbraw/zinc/72/70/15/419727015.db2.gz BGDZIECVIFIGJP-RYUDHWBXSA-N 1 3 253.346 -0.343 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662800939 419729436 /nfs/dbraw/zinc/72/94/36/419729436.db2.gz HEXJHKJBXYDZFB-VXGBXAGGSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C)CCOCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662796095 419729535 /nfs/dbraw/zinc/72/95/35/419729535.db2.gz IGJVWOROLKKCLQ-QWRGUYRKSA-N 1 3 259.350 -0.955 20 0 CBADHO CN(C)CCOCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662796093 419729726 /nfs/dbraw/zinc/72/97/26/419729726.db2.gz IGJVWOROLKKCLQ-GHMZBOCLSA-N 1 3 259.350 -0.955 20 0 CBADHO CC1(OCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CNC1 ZINC000648109118 419732997 /nfs/dbraw/zinc/73/29/97/419732997.db2.gz ZFHKNKLXNQQLSJ-QJPTWQEYSA-N 1 3 267.373 -0.049 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000648123614 419738557 /nfs/dbraw/zinc/73/85/57/419738557.db2.gz BOWMUZWRMMQJRL-YNEHKIRRSA-N 1 3 294.399 -0.463 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000648123611 419739837 /nfs/dbraw/zinc/73/98/37/419739837.db2.gz BOWMUZWRMMQJRL-JHJVBQTASA-N 1 3 294.399 -0.463 20 0 CBADHO O=C([C@@H]1CNCCOC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648124107 419740030 /nfs/dbraw/zinc/74/00/30/419740030.db2.gz QZGUJBNRQLIALT-TUAOUCFPSA-N 1 3 253.346 -0.567 20 0 CBADHO CC1(OCC(=O)N[C@H]2CC23CC[NH2+]CC3)CNC1 ZINC000648140537 419752184 /nfs/dbraw/zinc/75/21/84/419752184.db2.gz YYACGIMTPBYGOR-JTQLQIEISA-N 1 3 253.346 -0.377 20 0 CBADHO CC1(OCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CNC1 ZINC000648141389 419752334 /nfs/dbraw/zinc/75/23/34/419752334.db2.gz GRSZKWSBKGVWGD-GHMZBOCLSA-N 1 3 253.346 -0.425 20 0 CBADHO CC(C)(CCC[NH3+])NC(=O)CN1CCCC[C@@H](N)C1=O ZINC000648142403 419755083 /nfs/dbraw/zinc/75/50/83/419755083.db2.gz QGCPGMOOJAGCAE-LLVKDONJSA-N 1 3 284.404 -0.040 20 0 CBADHO CC1(OCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CNC1 ZINC000648148375 419759411 /nfs/dbraw/zinc/75/94/11/419759411.db2.gz ARTBCDRPWKSSIV-ZETCQYMHSA-N 1 3 269.267 -0.239 20 0 CBADHO CCN1CCN(CCC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662875731 419760033 /nfs/dbraw/zinc/76/00/33/419760033.db2.gz MOBZNVHVERBRIT-UHFFFAOYSA-N 1 3 280.416 -0.036 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC3CC2(C[NH3+])C3)CC1=O ZINC000662875351 419760059 /nfs/dbraw/zinc/76/00/59/419760059.db2.gz JHZJHNIMVKZADQ-MQYJIDSJSA-N 1 3 294.399 -0.654 20 0 CBADHO CC1(OCC(=O)N[C@H](C[NH3+])C2CCCC2)CNC1 ZINC000648176931 419766233 /nfs/dbraw/zinc/76/62/33/419766233.db2.gz SXULDYGJTIWJMV-LLVKDONJSA-N 1 3 255.362 -0.001 20 0 CBADHO CCN1CCN(CCC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662921648 419774058 /nfs/dbraw/zinc/77/40/58/419774058.db2.gz ARSDOXOMPXSRHC-UHFFFAOYSA-N 1 3 280.416 -0.118 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662928433 419778629 /nfs/dbraw/zinc/77/86/29/419778629.db2.gz PRDNRFVXKDWBEN-NSHDSACASA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H]1NCCN(C(=O)c2cn(CC[NH3+])nn2)[C@H]1C ZINC000662776345 419717749 /nfs/dbraw/zinc/71/77/49/419717749.db2.gz WZVXTMIAHOXTDL-IUCAKERBSA-N 1 3 252.322 -0.941 20 0 CBADHO CCCN(C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271785 419858027 /nfs/dbraw/zinc/85/80/27/419858027.db2.gz XVOOCTFBANGPOL-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)C[C@@H]21 ZINC000662976870 419805157 /nfs/dbraw/zinc/80/51/57/419805157.db2.gz RJHNOOFFTVBKEY-OOLXCHQQSA-N 1 3 292.383 -0.901 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000663010181 419808885 /nfs/dbraw/zinc/80/88/85/419808885.db2.gz IMAVVYVMNXYXPV-FZMZJTMJSA-N 1 3 282.388 -0.735 20 0 CBADHO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663218006 419830054 /nfs/dbraw/zinc/83/00/54/419830054.db2.gz VLNBAKOMUPFYQS-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO CCCN1CC[C@@H]([NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000663366562 419834665 /nfs/dbraw/zinc/83/46/65/419834665.db2.gz WQBBBRODBZYZSI-CABCVRRESA-N 1 3 284.448 -0.331 20 0 CBADHO C[NH2+]C[C@@H](C)NC1CCN(CCN2CCOCC2)CC1 ZINC000663509610 419841620 /nfs/dbraw/zinc/84/16/20/419841620.db2.gz KTWKMGBSRQDHEM-CQSZACIVSA-N 1 3 284.448 -0.020 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCOC2(CNC2)C1)[C@@H](C)[NH3+] ZINC000663493016 419843091 /nfs/dbraw/zinc/84/30/91/419843091.db2.gz ZVTAHBADKKTWFK-GHMZBOCLSA-N 1 3 255.362 -0.193 20 0 CBADHO CC[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]1 ZINC000662946679 419789183 /nfs/dbraw/zinc/78/91/83/419789183.db2.gz XJURFGZMJHPGMW-ZDUSSCGKSA-N 1 3 279.344 -0.211 20 0 CBADHO C[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]C1 ZINC000662946275 419789851 /nfs/dbraw/zinc/78/98/51/419789851.db2.gz QFEDENBQXADESW-ZDUSSCGKSA-N 1 3 279.344 -0.353 20 0 CBADHO C[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]C1 ZINC000662946274 419790295 /nfs/dbraw/zinc/79/02/95/419790295.db2.gz QFEDENBQXADESW-CYBMUJFWSA-N 1 3 279.344 -0.353 20 0 CBADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662947458 419790871 /nfs/dbraw/zinc/79/08/71/419790871.db2.gz QVDBAEQUCYOPFL-NSHDSACASA-N 1 3 279.344 -0.355 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000662971520 419799056 /nfs/dbraw/zinc/79/90/56/419799056.db2.gz BDVHWXPNVDUBJE-KGLIPLIRSA-N 1 3 299.415 -0.066 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649293114 419866674 /nfs/dbraw/zinc/86/66/74/419866674.db2.gz ACASIXQXUJFOHS-RTXFEEFZSA-N 1 3 267.373 -0.300 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649314152 419879999 /nfs/dbraw/zinc/87/99/99/419879999.db2.gz OYGDFJJTMCCFOP-SNVBAGLBSA-N 1 3 279.331 -0.074 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000649322899 419881104 /nfs/dbraw/zinc/88/11/04/419881104.db2.gz UYTADTHAMZJLBF-OCCSQVGLSA-N 1 3 296.415 -0.314 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000649322899 419881108 /nfs/dbraw/zinc/88/11/08/419881108.db2.gz UYTADTHAMZJLBF-OCCSQVGLSA-N 1 3 296.415 -0.314 20 0 CBADHO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)C[C@@H]1O ZINC000664128875 419881975 /nfs/dbraw/zinc/88/19/75/419881975.db2.gz MQTUAYBXOPIGTM-WXHSDQCUSA-N 1 3 282.388 -0.461 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000666923989 544651099 /nfs/dbraw/zinc/65/10/99/544651099.db2.gz WJUDCGLLQYRVDM-GXTWGEPZSA-N 1 3 284.404 -0.164 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000666923989 544651101 /nfs/dbraw/zinc/65/11/01/544651101.db2.gz WJUDCGLLQYRVDM-GXTWGEPZSA-N 1 3 284.404 -0.164 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649349367 419899212 /nfs/dbraw/zinc/89/92/12/419899212.db2.gz DBRUUPBTMBNVQT-GFCCVEGCSA-N 1 3 268.405 -0.262 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350650 419904145 /nfs/dbraw/zinc/90/41/45/419904145.db2.gz WKXAWUHEMMRVBB-WDNDVIMCSA-N 1 3 280.416 -0.404 20 0 CBADHO C[C@H](CNC(=O)COC1(C)C[NH2+]C1)CN1CCN(C)CC1 ZINC000649351390 419904915 /nfs/dbraw/zinc/90/49/15/419904915.db2.gz TWKBOAODVQDQQX-CYBMUJFWSA-N 1 3 298.431 -0.635 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649412543 419909170 /nfs/dbraw/zinc/90/91/70/419909170.db2.gz RYCOACAIRQMJME-CQSZACIVSA-N 1 3 280.416 -0.164 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cn(C)nn1 ZINC000668302223 544691565 /nfs/dbraw/zinc/69/15/65/544691565.db2.gz BZFUNHIFDVNGPP-UHFFFAOYSA-N 1 3 296.419 -0.301 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358674016 419911993 /nfs/dbraw/zinc/91/19/93/419911993.db2.gz BNRJJRQEHGOQMH-IPYPFGDCSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358674016 419911997 /nfs/dbraw/zinc/91/19/97/419911997.db2.gz BNRJJRQEHGOQMH-IPYPFGDCSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358674586 419913520 /nfs/dbraw/zinc/91/35/20/419913520.db2.gz BNRJJRQEHGOQMH-YDHLFZDLSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358674586 419913523 /nfs/dbraw/zinc/91/35/23/419913523.db2.gz BNRJJRQEHGOQMH-YDHLFZDLSA-N 1 3 296.415 -0.021 20 0 CBADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000664727829 419915035 /nfs/dbraw/zinc/91/50/35/419915035.db2.gz QZJFIRVAWVVUTH-WDEREUQCSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CCO1 ZINC000669403282 544749099 /nfs/dbraw/zinc/74/90/99/544749099.db2.gz RHVSDZIJFZFPIS-QJPTWQEYSA-N 1 3 270.377 -0.162 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750214 /nfs/dbraw/zinc/75/02/14/544750214.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 1 3 295.431 -0.245 20 0 CBADHO CN(CCC[NH2+][C@H]1CCC[C@@H]1CN)S(C)(=O)=O ZINC000665230990 419937670 /nfs/dbraw/zinc/93/76/70/419937670.db2.gz ZVPYGCBQMDKENE-MNOVXSKESA-N 1 3 263.407 -0.015 20 0 CBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000650725217 419967087 /nfs/dbraw/zinc/96/70/87/419967087.db2.gz VYIPXOBKNVOLIK-VXGBXAGGSA-N 1 3 255.362 -0.360 20 0 CBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](O)C2)C1 ZINC000650725217 419967091 /nfs/dbraw/zinc/96/70/91/419967091.db2.gz VYIPXOBKNVOLIK-VXGBXAGGSA-N 1 3 255.362 -0.360 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2COC[C@H]2O)CC1 ZINC000361293833 420019587 /nfs/dbraw/zinc/01/95/87/420019587.db2.gz AQLJPSWFSMFTMK-FPMFFAJLSA-N 1 3 272.389 -0.229 20 0 CBADHO CN(C)CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364231778 420034301 /nfs/dbraw/zinc/03/43/01/420034301.db2.gz QTCCOKWVSJOAGR-LBPRGKRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231778 420034302 /nfs/dbraw/zinc/03/43/02/420034302.db2.gz QTCCOKWVSJOAGR-LBPRGKRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN(C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231778 420034305 /nfs/dbraw/zinc/03/43/05/420034305.db2.gz QTCCOKWVSJOAGR-LBPRGKRZSA-N 1 3 268.405 -0.167 20 0 CBADHO CN1CCC(O)(CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652240667 420054265 /nfs/dbraw/zinc/05/42/65/420054265.db2.gz KLXSRBZRTLVKLZ-UHFFFAOYSA-N 1 3 284.404 -0.129 20 0 CBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329913 420061631 /nfs/dbraw/zinc/06/16/31/420061631.db2.gz JNGOSWBUICJCFQ-ZDEQEGDKSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365329911 420062178 /nfs/dbraw/zinc/06/21/78/420062178.db2.gz JNGOSWBUICJCFQ-FVCCEPFGSA-N 1 3 269.389 -0.054 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653105145 420115889 /nfs/dbraw/zinc/11/58/89/420115889.db2.gz HSVWKIDIQVPUAN-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@H](N)CC[NH+](C)C)CCSC1 ZINC000653110692 420116469 /nfs/dbraw/zinc/11/64/69/420116469.db2.gz QUAMFLWHUGLTBN-YPMHNXCESA-N 1 3 288.461 -0.181 20 0 CBADHO CCN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653105807 420117075 /nfs/dbraw/zinc/11/70/75/420117075.db2.gz KKDOLEMWRPXEGE-FZMZJTMJSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(C)[C@@]1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCSC1 ZINC000653110654 420117236 /nfs/dbraw/zinc/11/72/36/420117236.db2.gz PQAVFXSIESFUBY-YUTCNCBUSA-N 1 3 299.440 -0.224 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000653115199 420118529 /nfs/dbraw/zinc/11/85/29/420118529.db2.gz GNVFCOTVUKYMLQ-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122252 420119620 /nfs/dbraw/zinc/11/96/20/420119620.db2.gz RKGZKOFWNKHRGY-DYEKYZERSA-N 1 3 267.373 -0.320 20 0 CBADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCN(C2CC2)C1 ZINC000653117131 420119874 /nfs/dbraw/zinc/11/98/74/420119874.db2.gz AMXHAPOYZXQDAN-QWHCGFSZSA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653124016 420119908 /nfs/dbraw/zinc/11/99/08/420119908.db2.gz OEZWCFQYPYOEGY-RAIGVLPGSA-N 1 3 268.405 -0.136 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116824 420120352 /nfs/dbraw/zinc/12/03/52/420120352.db2.gz VDHBHXYCATYHIM-YDHLFZDLSA-N 1 3 297.399 -0.551 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653124015 420120417 /nfs/dbraw/zinc/12/04/17/420120417.db2.gz OEZWCFQYPYOEGY-KGYLQXTDSA-N 1 3 268.405 -0.136 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653142809 420123337 /nfs/dbraw/zinc/12/33/37/420123337.db2.gz XPUVMVYNQMODIR-GMOBBJLQSA-N 1 3 257.309 -0.961 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368191808 420124822 /nfs/dbraw/zinc/12/48/22/420124822.db2.gz CDYFRVAUVGSVQZ-RWMBFGLXSA-N 1 3 294.399 -0.783 20 0 CBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198435 420128123 /nfs/dbraw/zinc/12/81/23/420128123.db2.gz ZFDSQCDOSYIFIS-AAEUAGOBSA-N 1 3 255.362 -0.190 20 0 CBADHO CCO[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C[NH3+] ZINC000653247921 420129503 /nfs/dbraw/zinc/12/95/03/420129503.db2.gz YCESILFGRHOKRK-BWZBUEFSSA-N 1 3 269.267 -0.302 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@H](NC2CCOCC2)C1=O ZINC000653283941 420137228 /nfs/dbraw/zinc/13/72/28/420137228.db2.gz UAPRQBCMIIEQSV-LBPRGKRZSA-N 1 3 283.372 -0.166 20 0 CBADHO CN(CCNC(=O)C(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000652675478 420070606 /nfs/dbraw/zinc/07/06/06/420070606.db2.gz YCCCWARYYUEABS-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000652679433 420072131 /nfs/dbraw/zinc/07/21/31/420072131.db2.gz FUAIJROYBWHSQB-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652732467 420079000 /nfs/dbraw/zinc/07/90/00/420079000.db2.gz LREXQLXNOBXQGY-UHFFFAOYSA-N 1 3 270.377 -0.652 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)CN1)C1(n2cccn2)CC[NH2+]CC1 ZINC000366555811 420088664 /nfs/dbraw/zinc/08/86/64/420088664.db2.gz NPHXFOITZQJLBZ-RYUDHWBXSA-N 1 3 295.362 -0.222 20 0 CBADHO CN(C)CCn1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)n1 ZINC000372106348 420191715 /nfs/dbraw/zinc/19/17/15/420191715.db2.gz YSMZWPDZFDCJGO-LBPRGKRZSA-N 1 3 269.324 0.085 20 0 CBADHO CC[C@](C)(N)c1cn(C[C@@H](O)C[N@H+](C)CCOC)nn1 ZINC000384183306 420201076 /nfs/dbraw/zinc/20/10/76/420201076.db2.gz RAXBVCJTVYBONK-AAEUAGOBSA-N 1 3 285.392 -0.199 20 0 CBADHO CC[C@](C)(N)c1cn(C[C@@H](O)C[N@@H+](C)CCOC)nn1 ZINC000384183306 420201079 /nfs/dbraw/zinc/20/10/79/420201079.db2.gz RAXBVCJTVYBONK-AAEUAGOBSA-N 1 3 285.392 -0.199 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CNCCO2)C1 ZINC000388502734 420204291 /nfs/dbraw/zinc/20/42/91/420204291.db2.gz HPACNBVQCDCKHO-NEPJUHHUSA-N 1 3 291.417 -0.669 20 0 CBADHO CCCN1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000389716218 420204483 /nfs/dbraw/zinc/20/44/83/420204483.db2.gz JEMQJTMDWCESNO-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396486005 420213509 /nfs/dbraw/zinc/21/35/09/420213509.db2.gz JTBVEAHRRJYBQG-RISCZKNCSA-N 1 3 298.431 -0.068 20 0 CBADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCOCC1 ZINC000369018281 420148645 /nfs/dbraw/zinc/14/86/45/420148645.db2.gz WXFRUCXNSUGBBS-VXGBXAGGSA-N 1 3 268.361 -0.294 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000653542038 420148960 /nfs/dbraw/zinc/14/89/60/420148960.db2.gz DKRNQNAYSUFCKG-KKUMJFAQSA-N 1 3 285.432 -0.170 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000653542038 420148966 /nfs/dbraw/zinc/14/89/66/420148966.db2.gz DKRNQNAYSUFCKG-KKUMJFAQSA-N 1 3 285.432 -0.170 20 0 CBADHO CN(C)C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000405006925 420226093 /nfs/dbraw/zinc/22/60/93/420226093.db2.gz BXGKUYUKMTUDLN-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238824 /nfs/dbraw/zinc/23/88/24/420238824.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238827 /nfs/dbraw/zinc/23/88/27/420238827.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238829 /nfs/dbraw/zinc/23/88/29/420238829.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655295152 420238832 /nfs/dbraw/zinc/23/88/32/420238832.db2.gz URZRGXZIENWHRI-RWMBFGLXSA-N 1 3 267.373 -0.394 20 0 CBADHO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415209364 420240172 /nfs/dbraw/zinc/24/01/72/420240172.db2.gz GUEZIRQSGLAOIW-LLVKDONJSA-N 1 3 282.392 0.550 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415209445 420240610 /nfs/dbraw/zinc/24/06/10/420240610.db2.gz GVPLEBRBBFNFEW-LLVKDONJSA-N 1 3 282.392 0.564 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCN ZINC000418931086 420242898 /nfs/dbraw/zinc/24/28/98/420242898.db2.gz GPLLTMDNEITUQZ-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419018930 420243737 /nfs/dbraw/zinc/24/37/37/420243737.db2.gz CWJSEIRSCAHGGD-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000418949201 420243798 /nfs/dbraw/zinc/24/37/98/420243798.db2.gz RKQLUXXOLFKTNK-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887556 420247639 /nfs/dbraw/zinc/24/76/39/420247639.db2.gz QPPNKEBWVFSVRR-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987126 420247847 /nfs/dbraw/zinc/24/78/47/420247847.db2.gz CYJXUGFZEPWYOE-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419892186 420247931 /nfs/dbraw/zinc/24/79/31/420247931.db2.gz JBNJCHZEVKUFKF-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420079261 420248156 /nfs/dbraw/zinc/24/81/56/420248156.db2.gz PUEPLFXZHJAPSM-LLVKDONJSA-N 1 3 284.404 -0.219 20 0 CBADHO COCCNCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451054 420249599 /nfs/dbraw/zinc/24/95/99/420249599.db2.gz AEBAZCBOOZDQJL-WCQYABFASA-N 1 3 255.362 -0.272 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCN1CCC[C@@H]1C(N)=O ZINC000422891015 420254073 /nfs/dbraw/zinc/25/40/73/420254073.db2.gz UJOJDUJXWUVCEB-FRRDWIJNSA-N 1 3 268.405 -0.086 20 0 CBADHO [NH3+]C[C@H](NC(=O)C[C@@H]1CNCCO1)C(F)(F)F ZINC000655505302 420258957 /nfs/dbraw/zinc/25/89/57/420258957.db2.gz VUOWMTUTAAIHFI-RQJHMYQMSA-N 1 3 255.240 -0.629 20 0 CBADHO COC1(C(=O)N[C@H](CN)C(F)(F)F)CC[NH2+]CC1 ZINC000655505214 420259965 /nfs/dbraw/zinc/25/99/65/420259965.db2.gz SNOUSNPQOJZINH-SSDOTTSWSA-N 1 3 269.267 -0.239 20 0 CBADHO COC[C@@]1(C(=O)N[C@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655518658 420261076 /nfs/dbraw/zinc/26/10/76/420261076.db2.gz JBUKFESAOPYIAK-VXNVDRBHSA-N 1 3 269.267 -0.382 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1=O ZINC000655518626 420262006 /nfs/dbraw/zinc/26/20/06/420262006.db2.gz IMXGGKSCRVCNDJ-YUMQZZPRSA-N 1 3 296.293 -0.668 20 0 CBADHO CN(C)S(=O)(=O)CCCN1CCC(C[NH3+])CC1 ZINC000430609445 420272162 /nfs/dbraw/zinc/27/21/62/420272162.db2.gz HXSWFIMQNXUKCI-UHFFFAOYSA-N 1 3 263.407 -0.061 20 0 CBADHO O=C(NCC1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655962070 420282857 /nfs/dbraw/zinc/28/28/57/420282857.db2.gz HVFGKYCMQQRJMK-QWHCGFSZSA-N 1 3 282.388 -0.554 20 0 CBADHO O=C(N[C@H]1CCC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963619 420283556 /nfs/dbraw/zinc/28/35/56/420283556.db2.gz KBXJSCZEYMPARK-SDDRHHMPSA-N 1 3 268.361 -0.801 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968091 420284462 /nfs/dbraw/zinc/28/44/62/420284462.db2.gz MCDWOASKZYETJM-VPOLOUISSA-N 1 3 256.350 -0.818 20 0 CBADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968001 420285448 /nfs/dbraw/zinc/28/54/48/420285448.db2.gz KNFOIKDRGBGMOS-FRRDWIJNSA-N 1 3 284.404 -0.036 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965510 420285515 /nfs/dbraw/zinc/28/55/15/420285515.db2.gz FJYJPHAEHHDART-YVECIDJPSA-N 1 3 282.388 -0.555 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000655969180 420285766 /nfs/dbraw/zinc/28/57/66/420285766.db2.gz GENWWWFDLJBFQA-TUAOUCFPSA-N 1 3 270.377 -0.386 20 0 CBADHO COCC[N@H+](C)C[C@H](O)CNCCc1cncc(C)n1 ZINC000656717416 420320597 /nfs/dbraw/zinc/32/05/97/420320597.db2.gz WIOQIAYSPPFTMK-CQSZACIVSA-N 1 3 282.388 -0.144 20 0 CBADHO COCC[N@@H+](C)C[C@H](O)CNCCc1cncc(C)n1 ZINC000656717416 420320602 /nfs/dbraw/zinc/32/06/02/420320602.db2.gz WIOQIAYSPPFTMK-CQSZACIVSA-N 1 3 282.388 -0.144 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019814 420293024 /nfs/dbraw/zinc/29/30/24/420293024.db2.gz KBRNBIDAERYCPM-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656023181 420294215 /nfs/dbraw/zinc/29/42/15/420294215.db2.gz XPQLARDNMVUCMF-UTUOFQBUSA-N 1 3 282.388 -0.417 20 0 CBADHO C[C@@H](CNC(=O)N(C)CCC[NH3+])CN1CCN(C)CC1 ZINC000517042297 420371566 /nfs/dbraw/zinc/37/15/66/420371566.db2.gz QINVJWAHDVPWJM-ZDUSSCGKSA-N 1 3 285.436 -0.140 20 0 CBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517731049 420379353 /nfs/dbraw/zinc/37/93/53/420379353.db2.gz DVXKOVZMYXNWMT-AGIUHOORSA-N 1 3 292.383 -0.887 20 0 CBADHO CCO[C@H]1C[C@@](N)(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603147 420384025 /nfs/dbraw/zinc/38/40/25/420384025.db2.gz ZUDDIKDQNNKWOU-SWLSCSKDSA-N 1 3 298.431 -0.460 20 0 CBADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658691214 420384816 /nfs/dbraw/zinc/38/48/16/420384816.db2.gz XRIBCLZQCYMUNY-UHFFFAOYSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658691214 420384820 /nfs/dbraw/zinc/38/48/20/420384820.db2.gz XRIBCLZQCYMUNY-UHFFFAOYSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000658758530 420386198 /nfs/dbraw/zinc/38/61/98/420386198.db2.gz VPYGBKKHYFVCOT-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000658758530 420386202 /nfs/dbraw/zinc/38/62/02/420386202.db2.gz VPYGBKKHYFVCOT-ZDUSSCGKSA-N 1 3 296.415 -0.441 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1CSCCN1 ZINC000519697656 420386471 /nfs/dbraw/zinc/38/64/71/420386471.db2.gz RPEFTOVFOUMFQN-MNOVXSKESA-N 1 3 272.418 -0.899 20 0 CBADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000677887003 544988631 /nfs/dbraw/zinc/98/86/31/544988631.db2.gz YQHPPPOHHBBJGM-LSDHHAIUSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000677887003 544988636 /nfs/dbraw/zinc/98/86/36/544988636.db2.gz YQHPPPOHHBBJGM-LSDHHAIUSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000677886997 544989717 /nfs/dbraw/zinc/98/97/17/544989717.db2.gz YQHPPPOHHBBJGM-CABCVRRESA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000677886997 544989723 /nfs/dbraw/zinc/98/97/23/544989723.db2.gz YQHPPPOHHBBJGM-CABCVRRESA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(C[C@H]1CSCCN1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000548017412 420421043 /nfs/dbraw/zinc/42/10/43/420421043.db2.gz AMKFPEMKGDWMSH-QWRGUYRKSA-N 1 3 295.412 0.451 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000659491241 420423070 /nfs/dbraw/zinc/42/30/70/420423070.db2.gz QBAIFLCZJHEMAV-LBPRGKRZSA-N 1 3 285.436 -0.081 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000659357973 420413819 /nfs/dbraw/zinc/41/38/19/420413819.db2.gz DYIMIMDXCCEPKR-GFCCVEGCSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357987 420414315 /nfs/dbraw/zinc/41/43/15/420414315.db2.gz FFAMLGJXJRKQLQ-GHMZBOCLSA-N 1 3 272.393 -0.552 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)C2(N)CCC2)n1 ZINC000563198121 420435672 /nfs/dbraw/zinc/43/56/72/420435672.db2.gz GOGIRGVRUGAZMS-UHFFFAOYSA-N 1 3 251.334 0.265 20 0 CBADHO CCCN1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437198 /nfs/dbraw/zinc/43/71/98/420437198.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 1 3 283.420 -0.245 20 0 CBADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659522503 420428986 /nfs/dbraw/zinc/42/89/86/420428986.db2.gz LLZPQVQGGWIEOT-VIFPVBQESA-N 1 3 296.375 -0.187 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659534346 420429562 /nfs/dbraw/zinc/42/95/62/420429562.db2.gz SFEMQCGKBSBXTF-WCBMZHEXSA-N 1 3 294.359 -0.562 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659547393 420432597 /nfs/dbraw/zinc/43/25/97/420432597.db2.gz CODYPNPCRGRGGA-GHMZBOCLSA-N 1 3 287.408 -0.617 20 0 CBADHO O=C(C[C@H]1CSCCN1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562204 230294942 /nfs/dbraw/zinc/29/49/42/230294942.db2.gz JSAJXCMWNOKXLE-QWHCGFSZSA-N 1 3 298.456 -0.412 20 0 CBADHO O=C(NC[C@H]1CNCCO1)NCC12CC(C1)C[NH2+]2 ZINC000659552907 420433484 /nfs/dbraw/zinc/43/34/84/420433484.db2.gz GOYPXOJTKTUCQJ-SQLBVSGCSA-N 1 3 254.334 -0.974 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000659750876 420467240 /nfs/dbraw/zinc/46/72/40/420467240.db2.gz ICRMADRHVHDEBX-SNVBAGLBSA-N 1 3 270.377 -0.737 20 0 CBADHO CN(CCN)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659753984 420468022 /nfs/dbraw/zinc/46/80/22/420468022.db2.gz CBBGBMHRHVMJMQ-UHFFFAOYSA-N 1 3 296.415 -0.358 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000659758023 420468977 /nfs/dbraw/zinc/46/89/77/420468977.db2.gz XFRSDHXQRUNLSL-SDDRHHMPSA-N 1 3 284.404 -0.491 20 0 CBADHO C[NH+](C)CC(C)(C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629003 420438883 /nfs/dbraw/zinc/43/88/83/420438883.db2.gz BZMZODGLFYKCAR-UHFFFAOYSA-N 1 3 296.375 -0.220 20 0 CBADHO O=C(NCCNc1ccncc1)NCC12CC(C1)C[NH2+]2 ZINC000659615820 420438998 /nfs/dbraw/zinc/43/89/98/420438998.db2.gz AJSYNUNHWPQVCM-UHFFFAOYSA-N 1 3 275.356 -0.033 20 0 CBADHO COC[C@]1(C(=O)Nc2ccn(CCN(C)C)n2)CC[NH2+]C1 ZINC000565306692 420441700 /nfs/dbraw/zinc/44/17/00/420441700.db2.gz DCPZTWLBVHMLGY-AWEZNQCLSA-N 1 3 295.387 0.009 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000659641844 420442879 /nfs/dbraw/zinc/44/28/79/420442879.db2.gz ISGLXTULKMZKAT-NEPJUHHUSA-N 1 3 272.393 -0.260 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)N(CCOC)CCN(C)C ZINC000659643002 420443653 /nfs/dbraw/zinc/44/36/53/420443653.db2.gz HINWCLVKOUSLQE-LLVKDONJSA-N 1 3 260.382 -0.186 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567063213 420446874 /nfs/dbraw/zinc/44/68/74/420446874.db2.gz RQHHZIJOGVTGGE-VXGBXAGGSA-N 1 3 297.403 -0.672 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659679550 420447693 /nfs/dbraw/zinc/44/76/93/420447693.db2.gz ZLLLFECZEJJACO-AKUZOMFGSA-N 1 3 294.399 -0.547 20 0 CBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659677644 420447826 /nfs/dbraw/zinc/44/78/26/420447826.db2.gz GLSJREAZQJUQAP-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000659684212 420448436 /nfs/dbraw/zinc/44/84/36/420448436.db2.gz CAIOUYVKELBBMC-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659686208 420448606 /nfs/dbraw/zinc/44/86/06/420448606.db2.gz CSHOYHIEDMPBRS-CDWSIMAYSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)[C@H](C[NH3+])C1 ZINC000659684842 420448881 /nfs/dbraw/zinc/44/88/81/420448881.db2.gz KHMSBHCNPHAAHL-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000659701821 420452064 /nfs/dbraw/zinc/45/20/64/420452064.db2.gz JUPGWOXHVVEIAE-QWRGUYRKSA-N 1 3 282.388 -0.523 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N(C)C1CC1 ZINC000659703214 420452479 /nfs/dbraw/zinc/45/24/79/420452479.db2.gz XRZTVSXUBBSINH-RWWNRMGGSA-N 1 3 294.399 -0.547 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659706138 420453328 /nfs/dbraw/zinc/45/33/28/420453328.db2.gz ISSWTZRFWVSEEY-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659711983 420454862 /nfs/dbraw/zinc/45/48/62/420454862.db2.gz FEUPLUNBPLEQLI-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659711984 420455388 /nfs/dbraw/zinc/45/53/88/420455388.db2.gz FEUPLUNBPLEQLI-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659714015 420455864 /nfs/dbraw/zinc/45/58/64/420455864.db2.gz IOSXFXRJRBFAKY-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659716107 420456809 /nfs/dbraw/zinc/45/68/09/420456809.db2.gz VLMZGRSTDJJIDS-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000659718398 420457639 /nfs/dbraw/zinc/45/76/39/420457639.db2.gz NXOQNEYGCGUHGT-QWHCGFSZSA-N 1 3 298.431 -0.066 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659717114 420457841 /nfs/dbraw/zinc/45/78/41/420457841.db2.gz ZWRYHMQDVDTYCL-UPJWGTAASA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000659718023 420457946 /nfs/dbraw/zinc/45/79/46/420457946.db2.gz LKECKIRAJIJQLN-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659716611 420458322 /nfs/dbraw/zinc/45/83/22/420458322.db2.gz XNFUBTWCOLZUFH-WXRRBKDZSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000659725126 420460192 /nfs/dbraw/zinc/46/01/92/420460192.db2.gz XPOHWLLFPWQZCK-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731262 420461179 /nfs/dbraw/zinc/46/11/79/420461179.db2.gz BXDFIQMXMBUQNG-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733401 420461839 /nfs/dbraw/zinc/46/18/39/420461839.db2.gz DNXVKHNWGDUDJA-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659735305 420462012 /nfs/dbraw/zinc/46/20/12/420462012.db2.gz RGEFEMNVBQKVKI-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)C1 ZINC000659738305 420463113 /nfs/dbraw/zinc/46/31/13/420463113.db2.gz DMMIOZPRDLNDDE-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659738160 420463676 /nfs/dbraw/zinc/46/36/76/420463676.db2.gz AULKNIXDFWQWIK-GHMZBOCLSA-N 1 3 270.377 -0.689 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000659739251 420464272 /nfs/dbraw/zinc/46/42/72/420464272.db2.gz PCVQOVSXAQZITP-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000659739425 420465316 /nfs/dbraw/zinc/46/53/16/420465316.db2.gz UGTZTAZOBCAMRT-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000659749205 420466349 /nfs/dbraw/zinc/46/63/49/420466349.db2.gz FWZKYWKYKCHEOT-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](NC1CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000579227934 420467039 /nfs/dbraw/zinc/46/70/39/420467039.db2.gz OCTSBWXBOVABSS-JTQLQIEISA-N 1 3 265.361 0.524 20 0 CBADHO C[NH+](C)CCn1ccc(NC(=O)CNC2CC2)n1 ZINC000582604710 420472395 /nfs/dbraw/zinc/47/23/95/420472395.db2.gz YDZLSEKXOFZGBS-UHFFFAOYSA-N 1 3 251.334 0.135 20 0 CBADHO O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)[C@@]1(F)CCNC1 ZINC000583621421 420473939 /nfs/dbraw/zinc/47/39/39/420473939.db2.gz HEMWWOSDFAOOQD-JOYOIKCWSA-N 1 3 267.308 0.058 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434813 420490630 /nfs/dbraw/zinc/49/06/30/420490630.db2.gz IPUMQEYTKDSNCY-TZMCWYRMSA-N 1 3 269.389 -0.101 20 0 CBADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000660434813 420490632 /nfs/dbraw/zinc/49/06/32/420490632.db2.gz IPUMQEYTKDSNCY-TZMCWYRMSA-N 1 3 269.389 -0.101 20 0 CBADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000220332394 260121396 /nfs/dbraw/zinc/12/13/96/260121396.db2.gz CJKWUIOLBDGFKV-JHJVBQTASA-N 1 3 267.373 -0.204 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@@]1(C)C[NH3+] ZINC000521434292 262336447 /nfs/dbraw/zinc/33/64/47/262336447.db2.gz NNXKRPAEJMWRLI-NQBHXWOUSA-N 1 3 255.362 -0.192 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000518941568 265234727 /nfs/dbraw/zinc/23/47/27/265234727.db2.gz KJQHLRZFEZDMOF-GHMZBOCLSA-N 1 3 255.366 -0.977 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000521646647 269603942 /nfs/dbraw/zinc/60/39/42/269603942.db2.gz WZZJOPWYBSIDBN-RHYQMDGZSA-N 1 3 280.372 -0.855 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOC2(CNC2)C1 ZINC000529351208 269631709 /nfs/dbraw/zinc/63/17/09/269631709.db2.gz RDMPGYNAJIHNDF-NSHDSACASA-N 1 3 280.372 -0.345 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1N(C)C ZINC000423355493 287845785 /nfs/dbraw/zinc/84/57/85/287845785.db2.gz PCFJJIJXOWHKEU-IJLUTSLNSA-N 1 3 282.388 -0.655 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000419432161 277039723 /nfs/dbraw/zinc/03/97/23/277039723.db2.gz XVSRSKATOVQIOP-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424169596 277053072 /nfs/dbraw/zinc/05/30/72/277053072.db2.gz HEYUMBUDBMASOG-NEPJUHHUSA-N 1 3 283.372 -0.275 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000224293574 277237023 /nfs/dbraw/zinc/23/70/23/277237023.db2.gz SARHKQMKJTWZIQ-UWVGGRQHSA-N 1 3 256.350 -0.109 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419405150 277570640 /nfs/dbraw/zinc/57/06/40/277570640.db2.gz HIBJRYDEUGOAON-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@@H]1C[C@H](O)C[N@H+]1CCOCCN1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032094 /nfs/dbraw/zinc/03/20/94/278032094.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)C[N@@H+]1CCOCCN1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032095 /nfs/dbraw/zinc/03/20/95/278032095.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032096 /nfs/dbraw/zinc/03/20/96/278032096.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 1 3 272.389 -0.087 20 0 CBADHO C[C@@H]1C[C@H](O)CN1CCOCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340922045 278032097 /nfs/dbraw/zinc/03/20/97/278032097.db2.gz XTDUTYLWJXQJEV-CRWXNKLISA-N 1 3 272.389 -0.087 20 0 CBADHO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CC2(N)CCC2)CC1 ZINC000342130240 278036407 /nfs/dbraw/zinc/03/64/07/278036407.db2.gz LWHSQBBAZNUAMJ-LLVKDONJSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000364032664 278373511 /nfs/dbraw/zinc/37/35/11/278373511.db2.gz DHTYCNFKWXZPHO-GZMMTYOYSA-N 1 3 263.345 -0.217 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419732365 279104863 /nfs/dbraw/zinc/10/48/63/279104863.db2.gz MIWCYTKEZZWJJW-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000418954725 279126960 /nfs/dbraw/zinc/12/69/60/279126960.db2.gz XMUKQJXRXVZFTR-NEPJUHHUSA-N 1 3 286.420 -0.195 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419520684 279189661 /nfs/dbraw/zinc/18/96/61/279189661.db2.gz IORKLVWZRAQKOW-ZDUSSCGKSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419530834 279190006 /nfs/dbraw/zinc/19/00/06/279190006.db2.gz ZQJQSAOECLSMLO-YPMHNXCESA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@H](CC(N)=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061041 279249680 /nfs/dbraw/zinc/24/96/80/279249680.db2.gz FHVFQVZAONJTNA-GHMZBOCLSA-N 1 3 270.377 -0.573 20 0 CBADHO C[C@H](CC(N)=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346061041 279249682 /nfs/dbraw/zinc/24/96/82/279249682.db2.gz FHVFQVZAONJTNA-GHMZBOCLSA-N 1 3 270.377 -0.573 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419593080 279278972 /nfs/dbraw/zinc/27/89/72/279278972.db2.gz SNFPWNKUGGDGOI-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419587175 279279248 /nfs/dbraw/zinc/27/92/48/279279248.db2.gz NMKOPTHZAWGCKI-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884215 279305994 /nfs/dbraw/zinc/30/59/94/279305994.db2.gz FNCFBSOSMWKVCQ-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420141095 279307825 /nfs/dbraw/zinc/30/78/25/279307825.db2.gz JETFXMRYXBKURQ-UPJWGTAASA-N 1 3 296.415 -0.299 20 0 CBADHO Cn1cc(CN2CCCC[C@@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000352535826 279335335 /nfs/dbraw/zinc/33/53/35/279335335.db2.gz VYAVOTRIZIBONQ-GFCCVEGCSA-N 1 3 280.372 -0.213 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419968158 279875772 /nfs/dbraw/zinc/87/57/72/279875772.db2.gz AJSUCUHQBDHUML-LBPRGKRZSA-N 1 3 286.420 -0.116 20 0 CBADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)COC1CNC1 ZINC000430723695 281000018 /nfs/dbraw/zinc/00/00/18/281000018.db2.gz SVZDGIFOZIABBB-NSHDSACASA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332560516 288301053 /nfs/dbraw/zinc/30/10/53/288301053.db2.gz QDUZRLOOQKOVTD-FRRDWIJNSA-N 1 3 294.399 -0.450 20 0 CBADHO CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN1 ZINC000333498301 281174729 /nfs/dbraw/zinc/17/47/29/281174729.db2.gz FCLBKQRYTBFQFJ-NSHDSACASA-N 1 3 270.377 -0.242 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000419242493 282027579 /nfs/dbraw/zinc/02/75/79/282027579.db2.gz RBJNGNQUGHBHJC-GFCCVEGCSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000373891195 288852142 /nfs/dbraw/zinc/85/21/42/288852142.db2.gz HKBSCXCMUUSZAC-WPRPVWTQSA-N 1 3 263.345 -0.074 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000419242829 289043619 /nfs/dbraw/zinc/04/36/19/289043619.db2.gz RQXBNLBUNASTJD-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)C2(N)CC2)CC1 ZINC000430767669 289067708 /nfs/dbraw/zinc/06/77/08/289067708.db2.gz MUEQCPDFKAJBGE-UHFFFAOYSA-N 1 3 254.378 -0.380 20 0 CBADHO CN(C)C(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344063357 289132148 /nfs/dbraw/zinc/13/21/48/289132148.db2.gz NLNQRAYNUASJLT-UHFFFAOYSA-N 1 3 258.410 -0.110 20 0 CBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CCOC1C[NH2+]C1 ZINC000423738815 289141205 /nfs/dbraw/zinc/14/12/05/289141205.db2.gz FETPUEWBCSXOQA-CYBMUJFWSA-N 1 3 299.415 -0.066 20 0 CBADHO CN(C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000342667880 289160704 /nfs/dbraw/zinc/16/07/04/289160704.db2.gz UYRDSAQGEXBNJG-UHFFFAOYSA-N 1 3 285.436 -0.127 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000333660894 289215488 /nfs/dbraw/zinc/21/54/88/289215488.db2.gz LNZBEYVXGJAOPL-NEPJUHHUSA-N 1 3 270.377 -0.290 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000332305952 289290661 /nfs/dbraw/zinc/29/06/61/289290661.db2.gz IAFNSXWOTRYVNQ-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419860522 289368312 /nfs/dbraw/zinc/36/83/12/289368312.db2.gz KYQBWJYUVMUBPY-RYUDHWBXSA-N 1 3 282.388 -0.608 20 0 CBADHO CN(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331510898 289381831 /nfs/dbraw/zinc/38/18/31/289381831.db2.gz PNLXSZCRSWBTAU-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332203247 295268889 /nfs/dbraw/zinc/26/88/89/295268889.db2.gz DKRBLBJGSWTNBR-VXGBXAGGSA-N 1 3 280.372 -0.757 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000333422281 297277938 /nfs/dbraw/zinc/27/79/38/297277938.db2.gz SRIHMWXKBNWBAB-CHWSQXEVSA-N 1 3 295.431 -0.184 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420010450 298417468 /nfs/dbraw/zinc/41/74/68/298417468.db2.gz XLNMCZGMIVPBJJ-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419416992 298557748 /nfs/dbraw/zinc/55/77/48/298557748.db2.gz HMGCVOQJYQPYQF-GFCCVEGCSA-N 1 3 296.415 -0.025 20 0 CBADHO [NH3+]CCOCCN1CCC[C@@H]1CN1CCOCC1 ZINC000357107552 303383222 /nfs/dbraw/zinc/38/32/22/303383222.db2.gz RWUFWKCXFKQDRM-CYBMUJFWSA-N 1 3 257.378 -0.242 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000570827251 327623883 /nfs/dbraw/zinc/62/38/83/327623883.db2.gz NECUSVYBHPXDDV-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[NH3+] ZINC000565252854 327627248 /nfs/dbraw/zinc/62/72/48/327627248.db2.gz FZCULWCKJZYYHE-LLVKDONJSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000563208897 327965098 /nfs/dbraw/zinc/96/50/98/327965098.db2.gz FGWYAZFDZRRFHI-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000563391518 328060559 /nfs/dbraw/zinc/06/05/59/328060559.db2.gz VIRFJGBDQPPDBX-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000563391518 328060560 /nfs/dbraw/zinc/06/05/60/328060560.db2.gz VIRFJGBDQPPDBX-GFCCVEGCSA-N 1 3 257.378 -0.241 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563451200 328066218 /nfs/dbraw/zinc/06/62/18/328066218.db2.gz JZFQPVUAEBNWME-NWDGAFQWSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]C3CC3)CCN2C1=O ZINC000563451202 328066316 /nfs/dbraw/zinc/06/63/16/328066316.db2.gz JZFQPVUAEBNWME-VXGBXAGGSA-N 1 3 295.387 -0.918 20 0 CBADHO N[C@H]1C[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441537 328066537 /nfs/dbraw/zinc/06/65/37/328066537.db2.gz MBYBDMFSBXQIAE-RYUDHWBXSA-N 1 3 292.383 -0.569 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453304 328067632 /nfs/dbraw/zinc/06/76/32/328067632.db2.gz IIHPNLRIVNJHIW-ZDUSSCGKSA-N 1 3 283.420 -0.373 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563458620 328068082 /nfs/dbraw/zinc/06/80/82/328068082.db2.gz UETNZJZYXOJFMD-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC(NC(=O)CN(C)CC[NH2+]C)CC1 ZINC000571214517 328092374 /nfs/dbraw/zinc/09/23/74/328092374.db2.gz MXKBBGUOJMCSAR-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000571288025 328098306 /nfs/dbraw/zinc/09/83/06/328098306.db2.gz YQNWBHUYRQVJBM-TUAOUCFPSA-N 1 3 292.387 -0.148 20 0 CBADHO CC[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000571316099 328104772 /nfs/dbraw/zinc/10/47/72/328104772.db2.gz TTWXZYSGTGNPRR-NEPJUHHUSA-N 1 3 257.378 -0.066 20 0 CBADHO CC[C@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000571316099 328104774 /nfs/dbraw/zinc/10/47/74/328104774.db2.gz TTWXZYSGTGNPRR-NEPJUHHUSA-N 1 3 257.378 -0.066 20 0 CBADHO CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)CN1CCN(C)CC1 ZINC000571316237 328104793 /nfs/dbraw/zinc/10/47/93/328104793.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)[N@H+](C)C[C@@H](C)NC[C@H](O)CN1CCN(C)CC1 ZINC000571316237 328104795 /nfs/dbraw/zinc/10/47/95/328104795.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000571316237 328104797 /nfs/dbraw/zinc/10/47/97/328104797.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 1 3 286.464 -0.087 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000571396130 328118567 /nfs/dbraw/zinc/11/85/67/328118567.db2.gz GLOYMDPYBSDLRU-QJPTWQEYSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000388787989 328303219 /nfs/dbraw/zinc/30/32/19/328303219.db2.gz NVCIURFNNJKWJK-KBPBESRZSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000388787992 328303490 /nfs/dbraw/zinc/30/34/90/328303490.db2.gz NVCIURFNNJKWJK-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000583490205 328304118 /nfs/dbraw/zinc/30/41/18/328304118.db2.gz DAAJNVYZNPMYNZ-QWRGUYRKSA-N 1 3 282.388 -0.547 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000584107958 326973019 /nfs/dbraw/zinc/97/30/19/326973019.db2.gz DQSGBCUJPVASCM-QWHCGFSZSA-N 1 3 263.341 -0.339 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)C1CC1 ZINC000556938156 326984709 /nfs/dbraw/zinc/98/47/09/326984709.db2.gz KDQRJJAYHXUNBB-UHFFFAOYSA-N 1 3 284.404 -0.536 20 0 CBADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565727105 327001139 /nfs/dbraw/zinc/00/11/39/327001139.db2.gz CLJALARKNDGZTK-AVGNSLFASA-N 1 3 296.415 -0.232 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000568877022 327021802 /nfs/dbraw/zinc/02/18/02/327021802.db2.gz MOLHPCAJKCFOTM-VXGBXAGGSA-N 1 3 283.372 -0.036 20 0 CBADHO C[C@@H]1[NH2+]CCN(C[C@H]2CCCN(C(=O)CN)C2)[C@H]1C ZINC000565833626 327031007 /nfs/dbraw/zinc/03/10/07/327031007.db2.gz MIEMMYRUVMLBOO-RWMBFGLXSA-N 1 3 268.405 -0.134 20 0 CBADHO NC(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000584171003 327056593 /nfs/dbraw/zinc/05/65/93/327056593.db2.gz XGZWHEHLBDEMJH-RKDXNWHRSA-N 1 3 280.294 -0.618 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000584181224 327060938 /nfs/dbraw/zinc/06/09/38/327060938.db2.gz RYPLNNOLDXLIME-OLZOCXBDSA-N 1 3 287.404 -0.664 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000584181224 327060939 /nfs/dbraw/zinc/06/09/39/327060939.db2.gz RYPLNNOLDXLIME-OLZOCXBDSA-N 1 3 287.404 -0.664 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569456455 327179644 /nfs/dbraw/zinc/17/96/44/327179644.db2.gz ZJAXLECODBMGNK-YPMHNXCESA-N 1 3 266.389 -0.367 20 0 CBADHO NC(C(=O)NC[C@H]1C[NH2+]CCCO1)C(F)(F)F ZINC000569483592 327184602 /nfs/dbraw/zinc/18/46/02/327184602.db2.gz SRLBVEJWCMQWAS-RNFRBKRXSA-N 1 3 255.240 -0.629 20 0 CBADHO CN1CCN(C(=O)[C@H](N)CC(F)F)[C@@H](C[NH3+])C1 ZINC000569577036 327200834 /nfs/dbraw/zinc/20/08/34/327200834.db2.gz WPRHEALGMRCZRT-JGVFFNPUSA-N 1 3 250.293 -0.930 20 0 CBADHO COCCNCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000583380399 327334365 /nfs/dbraw/zinc/33/43/65/327334365.db2.gz GPFPMNWJKNVQJO-SNVBAGLBSA-N 1 3 281.360 -0.548 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564996350 327351343 /nfs/dbraw/zinc/35/13/43/327351343.db2.gz SCAABZLDWJBCRG-UPJWGTAASA-N 1 3 268.405 -0.134 20 0 CBADHO [NH3+]CC12CCC(CC1)CN2C(=O)COC1CNC1 ZINC000583448006 327372292 /nfs/dbraw/zinc/37/22/92/327372292.db2.gz ULOFZPDPXJZVNC-UHFFFAOYSA-N 1 3 253.346 -0.295 20 0 CBADHO O=C(NC1CNC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000561256819 327380012 /nfs/dbraw/zinc/38/00/12/327380012.db2.gz QGUXOKATPVZGCX-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCC2)[C@H]1C[C@H](O)C[NH2+]1 ZINC000564728176 327442115 /nfs/dbraw/zinc/44/21/15/327442115.db2.gz HIQCLJWVHWEPRN-QWHCGFSZSA-N 1 3 261.325 -0.006 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000562689939 327504776 /nfs/dbraw/zinc/50/47/76/327504776.db2.gz ZTHGIGGPQLCFKS-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000570214236 327576366 /nfs/dbraw/zinc/57/63/66/327576366.db2.gz IBDBTAZYULNMDX-ONGXEEELSA-N 1 3 272.393 -0.425 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000570329676 327583760 /nfs/dbraw/zinc/58/37/60/327583760.db2.gz DUNIOMJGIYFWNF-QWRGUYRKSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@]1(C(=O)NCCCN2CCC(O)CC2)CC[NH2+]C1 ZINC000582545045 329104914 /nfs/dbraw/zinc/10/49/14/329104914.db2.gz KAJSZHADTDFRLJ-CQSZACIVSA-N 1 3 269.389 -0.051 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000582733571 329133545 /nfs/dbraw/zinc/13/35/45/329133545.db2.gz HBJBPIXRUOAHDV-STQMWFEESA-N 1 3 259.394 -0.439 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000582733571 329133546 /nfs/dbraw/zinc/13/35/46/329133546.db2.gz HBJBPIXRUOAHDV-STQMWFEESA-N 1 3 259.394 -0.439 20 0 CBADHO CCC[C@](C)([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583214712 329370348 /nfs/dbraw/zinc/37/03/48/329370348.db2.gz JFFPMAPJPDAVRJ-BREBYQMCSA-N 1 3 268.361 -0.726 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000584530571 329514083 /nfs/dbraw/zinc/51/40/83/329514083.db2.gz AIHJCUXKPWEYRG-VHSXEESVSA-N 1 3 257.334 -0.537 20 0 CBADHO N[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870665 329522970 /nfs/dbraw/zinc/52/29/70/329522970.db2.gz JYIUVKQWSSYJOD-QWHCGFSZSA-N 1 3 290.367 -0.329 20 0 CBADHO [NH3+][C@H]1CCC[C@@H](NCCNC(=O)c2ccn[nH]2)C1 ZINC000571895545 329928797 /nfs/dbraw/zinc/92/87/97/329928797.db2.gz RZBWIZUYYNMAKM-VHSXEESVSA-N 1 3 251.334 -0.001 20 0 CBADHO [NH3+]CCC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000572299488 329970682 /nfs/dbraw/zinc/97/06/82/329970682.db2.gz FUXMRFXSTHALAU-UHFFFAOYSA-N 1 3 255.362 -0.048 20 0 CBADHO COCCNCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000572413339 330065028 /nfs/dbraw/zinc/06/50/28/330065028.db2.gz ABXUBNNQRVNZRW-UHFFFAOYSA-N 1 3 272.393 -0.007 20 0 CBADHO C[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569238676 334863083 /nfs/dbraw/zinc/86/30/83/334863083.db2.gz OBPBFJJNWPNHAL-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569240038 334863333 /nfs/dbraw/zinc/86/33/33/334863333.db2.gz GIHKBTINJIYRLC-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000575902723 335129701 /nfs/dbraw/zinc/12/97/01/335129701.db2.gz SSGFZDPKVVLYRH-UHFFFAOYSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000576225447 335173531 /nfs/dbraw/zinc/17/35/31/335173531.db2.gz MBUGDOALIIHENO-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO CCCN(C(=O)C[C@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000576225446 335173637 /nfs/dbraw/zinc/17/36/37/335173637.db2.gz MBUGDOALIIHENO-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COCC1(CNC(=O)CNC2CC2)CC[NH2+]CC1 ZINC000564839400 334523096 /nfs/dbraw/zinc/52/30/96/334523096.db2.gz HXBKLASWJHBDJX-UHFFFAOYSA-N 1 3 255.362 -0.129 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000564992807 334533148 /nfs/dbraw/zinc/53/31/48/334533148.db2.gz UKHSQKCWBWRAQF-QWRGUYRKSA-N 1 3 271.361 -0.099 20 0 CBADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCOC1CNC1 ZINC000565596452 334577559 /nfs/dbraw/zinc/57/75/59/334577559.db2.gz HMYKBMBOVAGVRJ-QLHKPRNWSA-N 1 3 267.373 -0.003 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565845425 334602637 /nfs/dbraw/zinc/60/26/37/334602637.db2.gz YXPTXKAWTQUPBL-MNOVXSKESA-N 1 3 297.403 -0.543 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000566210933 334635871 /nfs/dbraw/zinc/63/58/71/334635871.db2.gz ABVVMJSZDPVVLJ-NQBHXWOUSA-N 1 3 253.346 -0.519 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566246863 334638481 /nfs/dbraw/zinc/63/84/81/334638481.db2.gz JBIJLWMCRFVFOR-JOYOIKCWSA-N 1 3 259.350 -0.244 20 0 CBADHO C[NH+](C)CCOCCNC(=O)CCOC1CNC1 ZINC000567047221 334676526 /nfs/dbraw/zinc/67/65/26/334676526.db2.gz RNCXMKJHIAULSH-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000567049714 334676751 /nfs/dbraw/zinc/67/67/51/334676751.db2.gz KRMMWLINFDXUJA-VIFPVBQESA-N 1 3 257.334 -0.345 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000567604785 334739408 /nfs/dbraw/zinc/73/94/08/334739408.db2.gz BRQIDQDQXGNRAM-SKDRFNHKSA-N 1 3 264.329 -0.190 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567900027 334773529 /nfs/dbraw/zinc/77/35/29/334773529.db2.gz HRXVSHVKDYVLNP-WZRBSPASSA-N 1 3 284.404 -0.280 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000567908036 334774593 /nfs/dbraw/zinc/77/45/93/334774593.db2.gz PGOQEOSPYPPQIR-AWEZNQCLSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(C(=O)COC1CNC1)[C@@H]1CCC[NH2+]CC1 ZINC000568232583 334806792 /nfs/dbraw/zinc/80/67/92/334806792.db2.gz VRXNXWIOTXMSFL-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CCN(C(=O)COC1CNC1)[C@H]1CCC[NH2+]CC1 ZINC000568232584 334806824 /nfs/dbraw/zinc/80/68/24/334806824.db2.gz VRXNXWIOTXMSFL-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)C1CC[NH2+]CC1 ZINC000572719578 334873842 /nfs/dbraw/zinc/87/38/42/334873842.db2.gz CPXCEJNJXVENTR-UHFFFAOYSA-N 1 3 279.348 -0.848 20 0 CBADHO COC[C@]1(CNC(=O)[C@@H](N)C2CCC2)CCC[NH2+]1 ZINC000572760514 334876149 /nfs/dbraw/zinc/87/61/49/334876149.db2.gz UAFYDFVSYZSJRB-WCQYABFASA-N 1 3 255.362 -0.001 20 0 CBADHO CN1CCC(CNC2=[NH+]CCCN2)(N2CCOCC2)CC1 ZINC000572855908 334885036 /nfs/dbraw/zinc/88/50/36/334885036.db2.gz REDUMMZOVUARQC-UHFFFAOYSA-N 1 3 295.431 -0.278 20 0 CBADHO CC[NH2+]CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000576339860 335191146 /nfs/dbraw/zinc/19/11/46/335191146.db2.gz ZQSXDSUNGCQFDK-QWHCGFSZSA-N 1 3 294.403 -0.144 20 0 CBADHO C[C@@H](C[NH+](C)C)NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576459643 335206144 /nfs/dbraw/zinc/20/61/44/335206144.db2.gz IVIIIDUQQHUVCC-FQUUOJAGSA-N 1 3 273.421 -0.004 20 0 CBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000576585169 335222450 /nfs/dbraw/zinc/22/24/50/335222450.db2.gz RQGZPTVXZGUNJW-LSDHHAIUSA-N 1 3 285.432 -0.122 20 0 CBADHO [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3CCCC[C@H]3O)CCN2C1=O ZINC000576837230 335254383 /nfs/dbraw/zinc/25/43/83/335254383.db2.gz GJDBXUMZQZFLDQ-FDYHWXHSSA-N 1 3 267.373 -0.219 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CCC(=O)OC ZINC000576871295 335258059 /nfs/dbraw/zinc/25/80/59/335258059.db2.gz AJZTUCWAYDQXCX-VIFPVBQESA-N 1 3 259.350 -0.099 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000576943354 335267334 /nfs/dbraw/zinc/26/73/34/335267334.db2.gz FILREGIJNKYZPG-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO NC(C(=O)NCCCN1CC[NH2+]CC1)C(F)(F)F ZINC000580562641 335278787 /nfs/dbraw/zinc/27/87/87/335278787.db2.gz VACVKTJSZRUWOQ-MRVPVSSYSA-N 1 3 268.283 -0.713 20 0 CBADHO CCS(=O)(=O)NCCCN1CCC(C[NH3+])CC1 ZINC000577062486 335293761 /nfs/dbraw/zinc/29/37/61/335293761.db2.gz MEIAGNIZMRDABK-UHFFFAOYSA-N 1 3 263.407 -0.014 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000577270574 335332672 /nfs/dbraw/zinc/33/26/72/335332672.db2.gz NEFKJEMIQRAJBL-KGYLQXTDSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000577489235 335355244 /nfs/dbraw/zinc/35/52/44/335355244.db2.gz QVTAEKNCQORZAS-DCAQKATOSA-N 1 3 257.382 -0.604 20 0 CBADHO C[C@@H](C(N)=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379141 335371332 /nfs/dbraw/zinc/37/13/32/335371332.db2.gz YXCWDEPWMCBMSK-NSHDSACASA-N 1 3 256.394 -0.182 20 0 CBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000577508507 335362001 /nfs/dbraw/zinc/36/20/01/335362001.db2.gz JEMLOFHIZWDFDB-STQMWFEESA-N 1 3 283.420 -0.327 20 0 CBADHO C[C@H](C(N)=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379154 335371162 /nfs/dbraw/zinc/37/11/62/335371162.db2.gz YXCWDEPWMCBMSK-LLVKDONJSA-N 1 3 256.394 -0.182 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000577725974 335392915 /nfs/dbraw/zinc/39/29/15/335392915.db2.gz GUBJSLCMDJGHFT-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000577751527 335397591 /nfs/dbraw/zinc/39/75/91/335397591.db2.gz JIZWKRPQLUUPGZ-SDDRHHMPSA-N 1 3 284.404 -0.219 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000579141963 335715987 /nfs/dbraw/zinc/71/59/87/335715987.db2.gz VRKAAEOINHVJGH-NSHDSACASA-N 1 3 285.388 -0.014 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000581193983 336022726 /nfs/dbraw/zinc/02/27/26/336022726.db2.gz ZCUKCAIDMUNJGT-WZRBSPASSA-N 1 3 284.404 -0.471 20 0 CBADHO Cn1ccnc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1=O ZINC000581194239 336022837 /nfs/dbraw/zinc/02/28/37/336022837.db2.gz XYBUGQOLVCGNDT-CYBMUJFWSA-N 1 3 291.399 -0.098 20 0 CBADHO O=C(CNC1CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000581305149 336044117 /nfs/dbraw/zinc/04/41/17/336044117.db2.gz QOADXESBCSUMLG-SNVBAGLBSA-N 1 3 294.321 -0.309 20 0 CBADHO N[C@@H]1C[C@H]2CN(C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499888 336091106 /nfs/dbraw/zinc/09/11/06/336091106.db2.gz VWJWBZFHNZQZFX-SDDRHHMPSA-N 1 3 252.362 -0.770 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000581538693 336097259 /nfs/dbraw/zinc/09/72/59/336097259.db2.gz ONGABHACFMFRNJ-KGYLQXTDSA-N 1 3 294.399 -0.465 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000581538695 336097291 /nfs/dbraw/zinc/09/72/91/336097291.db2.gz ONGABHACFMFRNJ-RTXFEEFZSA-N 1 3 294.399 -0.465 20 0 CBADHO CC(C)[C@@H](CNC(=O)COC1C[NH2+]C1)N1CCN(C)CC1 ZINC000581882234 336158643 /nfs/dbraw/zinc/15/86/43/336158643.db2.gz KFDZUUAUYGVGMU-CQSZACIVSA-N 1 3 298.431 -0.637 20 0 CBADHO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000354694753 533890044 /nfs/dbraw/zinc/89/00/44/533890044.db2.gz QTPKLFYMSIERBI-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357234544 535714100 /nfs/dbraw/zinc/71/41/00/535714100.db2.gz AYHOHZSPBSORAF-CHWSQXEVSA-N 1 3 270.421 -0.029 20 0 CBADHO CN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424170675 517903496 /nfs/dbraw/zinc/90/34/96/517903496.db2.gz KKYZJPQOMXTBCO-SNVBAGLBSA-N 1 3 266.349 -0.506 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(C2CC2)C1 ZINC000354694007 534426788 /nfs/dbraw/zinc/42/67/88/534426788.db2.gz PSTGQGIQYXMZBW-DGCLKSJQSA-N 1 3 294.399 -0.402 20 0 CBADHO CCN1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354678683 529087867 /nfs/dbraw/zinc/08/78/67/529087867.db2.gz PYEHDIAFMDQLPJ-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357229895 535728654 /nfs/dbraw/zinc/72/86/54/535728654.db2.gz WHIJOWCRNWPARA-NEPJUHHUSA-N 1 3 256.394 -0.277 20 0 CBADHO CC[NH2+]CC(=O)NCCCN1CCN(CC)CC1 ZINC000844192405 583260051 /nfs/dbraw/zinc/26/00/51/583260051.db2.gz PMWFSUXXDQLDAL-UHFFFAOYSA-N 1 3 256.394 -0.260 20 0 CBADHO CN1CCN(CCCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000137363380 582125980 /nfs/dbraw/zinc/12/59/80/582125980.db2.gz CURRTRCDFDBKBL-ZDUSSCGKSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCCN ZINC000230696046 582129440 /nfs/dbraw/zinc/12/94/40/582129440.db2.gz FSPDOGJFDFLZDM-UHFFFAOYSA-N 1 3 272.393 -0.358 20 0 CBADHO CN1CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC000762715437 582318048 /nfs/dbraw/zinc/31/80/48/582318048.db2.gz HEQPWHFSYLNZOW-ZDUSSCGKSA-N 1 3 257.378 -0.099 20 0 CBADHO C[C@]1(C(N)=O)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796581450 582412096 /nfs/dbraw/zinc/41/20/96/582412096.db2.gz QGSCYFFHHIPUPY-YPMHNXCESA-N 1 3 255.362 -0.360 20 0 CBADHO Cc1cc(N2CCC([NH2+]CCO)CC2)nc(N)n1 ZINC000811824076 582451416 /nfs/dbraw/zinc/45/14/16/582451416.db2.gz GSXQNAGPGWRTHD-UHFFFAOYSA-N 1 3 251.334 -0.082 20 0 CBADHO CCNCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000818586128 582512247 /nfs/dbraw/zinc/51/22/47/582512247.db2.gz SAEMLZAWAGPUGY-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000830392158 582932053 /nfs/dbraw/zinc/93/20/53/582932053.db2.gz YYBOLGCQHWEDRC-IUCAKERBSA-N 1 3 261.347 -0.607 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000831971115 583008847 /nfs/dbraw/zinc/00/88/47/583008847.db2.gz SGKJTUNEQHSMIB-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971332 583009376 /nfs/dbraw/zinc/00/93/76/583009376.db2.gz VJMODBRMISEUCI-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971332 583009379 /nfs/dbraw/zinc/00/93/79/583009379.db2.gz VJMODBRMISEUCI-GHMZBOCLSA-N 1 3 271.361 -0.133 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841850192 583175291 /nfs/dbraw/zinc/17/52/91/583175291.db2.gz CWYSUDOCYUMNSG-QJPTWQEYSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(N[C@H]1CNCCC1(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000841852269 583175393 /nfs/dbraw/zinc/17/53/93/583175393.db2.gz ISOJHXGVASZJFG-IONNQARKSA-N 1 3 251.252 -0.199 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842014291 583177708 /nfs/dbraw/zinc/17/77/08/583177708.db2.gz BTARHBCISALHNN-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000842014923 583177762 /nfs/dbraw/zinc/17/77/62/583177762.db2.gz GOIXFLDIEPQVHG-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CON(C)C(=O)CC[NH2+]C[C@H](O)CN1CCCCC1 ZINC000843061810 583199247 /nfs/dbraw/zinc/19/92/47/583199247.db2.gz IKVJSTGNTKSPIA-LBPRGKRZSA-N 1 3 273.377 -0.167 20 0 CBADHO CON(C)C(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000843062014 583199257 /nfs/dbraw/zinc/19/92/57/583199257.db2.gz KNHPRBZKALUXKO-LLVKDONJSA-N 1 3 259.350 -0.557 20 0 CBADHO C[C@H](NC(=O)CN(C)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000843355416 583212162 /nfs/dbraw/zinc/21/21/62/583212162.db2.gz NXNRTJVTYKVGLJ-UNXYVOJBSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454176 583221118 /nfs/dbraw/zinc/22/11/18/583221118.db2.gz KEMCBCDRGMTOLD-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO CCNCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843453381 583221184 /nfs/dbraw/zinc/22/11/84/583221184.db2.gz NPQGIHAHHQMUBB-QWHCGFSZSA-N 1 3 296.415 -0.297 20 0 CBADHO COCCN(CCN(C)C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843489211 583227718 /nfs/dbraw/zinc/22/77/18/583227718.db2.gz IXWVZJKMXZMXBW-ZDUSSCGKSA-N 1 3 287.404 -0.208 20 0 CBADHO CN(C)CCOCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843494439 583229159 /nfs/dbraw/zinc/22/91/59/583229159.db2.gz DPDPOJCJQAQBAN-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000843504883 583231927 /nfs/dbraw/zinc/23/19/27/583231927.db2.gz CXVYXOXOAGBSLJ-SFYZADRCSA-N 1 3 251.334 -0.089 20 0 CBADHO CN1CCC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844174691 583256805 /nfs/dbraw/zinc/25/68/05/583256805.db2.gz AMTNIZCJSMDNGK-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181470 583258395 /nfs/dbraw/zinc/25/83/95/583258395.db2.gz RFFJPMUEUBNULD-ZIAGYGMSSA-N 1 3 299.415 -0.018 20 0 CBADHO COCCN(C)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844182605 583258800 /nfs/dbraw/zinc/25/88/00/583258800.db2.gz UGDLCASCYRUUJQ-LBPRGKRZSA-N 1 3 273.377 -0.551 20 0 CBADHO CN(C)CCN1CCN(C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000844377975 583269571 /nfs/dbraw/zinc/26/95/71/583269571.db2.gz IZFBULWXNAOURM-CQSZACIVSA-N 1 3 298.431 -0.851 20 0 CBADHO CN1C[C@@H]([N@H+](C)C[C@@H](O)CN2CCCC2)CCC1=O ZINC000846920706 583392760 /nfs/dbraw/zinc/39/27/60/583392760.db2.gz JKWRAXJTXNDBPW-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1C[C@@H]([N@@H+](C)C[C@@H](O)CN2CCCC2)CCC1=O ZINC000846920706 583392761 /nfs/dbraw/zinc/39/27/61/583392761.db2.gz JKWRAXJTXNDBPW-QWHCGFSZSA-N 1 3 269.389 -0.004 20 0 CBADHO CN[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000848422991 583445774 /nfs/dbraw/zinc/44/57/74/583445774.db2.gz WESJBQDYZOKNAS-VIFPVBQESA-N 1 3 264.329 -0.079 20 0 CBADHO CN1CCN(CCCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000848989558 583464468 /nfs/dbraw/zinc/46/44/68/583464468.db2.gz WTRVKYZZYCYWII-UHFFFAOYSA-N 1 3 283.420 -0.129 20 0 CBADHO COCCNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987900 583464712 /nfs/dbraw/zinc/46/47/12/583464712.db2.gz NFGJAVJFVINVIH-UHFFFAOYSA-N 1 3 258.366 -0.406 20 0 CBADHO C[C@H]1CN(C(=[NH2+])NCCN2CCCN(C)CC2)CCO1 ZINC000848994163 583465584 /nfs/dbraw/zinc/46/55/84/583465584.db2.gz ZSWMLCGRAFBEBB-ZDUSSCGKSA-N 1 3 283.420 -0.131 20 0 CBADHO C[C@@H]1C[NH+]=C(NCC2(N3CCOCC3)CCN(C)CC2)N1 ZINC000849041244 583471171 /nfs/dbraw/zinc/47/11/71/583471171.db2.gz OERBNIJQEZYKCX-CYBMUJFWSA-N 1 3 295.431 -0.280 20 0 CBADHO CCNC(=[NH2+])NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849041650 583471569 /nfs/dbraw/zinc/47/15/69/583471569.db2.gz URCCVZMSNYLLFL-UHFFFAOYSA-N 1 3 283.420 -0.083 20 0 CBADHO [NH3+]CCCCCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851668023 583519352 /nfs/dbraw/zinc/51/93/52/583519352.db2.gz BZAFSNHFNZWZKG-UHFFFAOYSA-N 1 3 296.375 -0.041 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])N1CCCCC1 ZINC000851687584 583521766 /nfs/dbraw/zinc/52/17/66/583521766.db2.gz VVEYWWSQEGAHOV-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO NC[C@@H]1CC(C(=O)N(C2CC2)C2CC[NH2+]CC2)=NO1 ZINC000852792948 583552694 /nfs/dbraw/zinc/55/26/94/583552694.db2.gz JLRQIHRFKHXYHH-NSHDSACASA-N 1 3 266.345 -0.167 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852798968 583553280 /nfs/dbraw/zinc/55/32/80/583553280.db2.gz PNKMXYXTXUOHEW-LPEHRKFASA-N 1 3 254.334 -0.324 20 0 CBADHO [NH3+]C[C@H]1CC(C(=O)NCCN2CCCCC2)=NO1 ZINC000852857545 583561899 /nfs/dbraw/zinc/56/18/99/583561899.db2.gz WWFPXKHFPCRTSU-SNVBAGLBSA-N 1 3 254.334 -0.308 20 0 CBADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852864140 583563585 /nfs/dbraw/zinc/56/35/85/583563585.db2.gz XHBQVCFUPJGIET-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO C[N@H+]1CCC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852864140 583563587 /nfs/dbraw/zinc/56/35/87/583563587.db2.gz XHBQVCFUPJGIET-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852869588 583564767 /nfs/dbraw/zinc/56/47/67/583564767.db2.gz IFSASBHXMPHVLS-JTQLQIEISA-N 1 3 256.350 -0.062 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852869588 583564769 /nfs/dbraw/zinc/56/47/69/583564769.db2.gz IFSASBHXMPHVLS-JTQLQIEISA-N 1 3 256.350 -0.062 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870542 583564861 /nfs/dbraw/zinc/56/48/61/583564861.db2.gz VQSKBMJETDQGPO-MNOVXSKESA-N 1 3 268.361 -0.110 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852870542 583564863 /nfs/dbraw/zinc/56/48/63/583564863.db2.gz VQSKBMJETDQGPO-MNOVXSKESA-N 1 3 268.361 -0.110 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852872241 583565028 /nfs/dbraw/zinc/56/50/28/583565028.db2.gz JPNHLMQVCPYKNE-WDEREUQCSA-N 1 3 286.376 -0.437 20 0 CBADHO C[C@@]1(CNC(=O)C2=NO[C@@H](CN)C2)CCC[NH2+]C1 ZINC000852875622 583565822 /nfs/dbraw/zinc/56/58/22/583565822.db2.gz LPUGNCOYTGCYDU-BXKDBHETSA-N 1 3 254.334 -0.404 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878850 583566383 /nfs/dbraw/zinc/56/63/83/583566383.db2.gz ADFGQLNKKRWRQC-MFKMUULPSA-N 1 3 266.345 -0.308 20 0 CBADHO CC[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CC[C@@H]1[NH3+] ZINC000852879211 583566386 /nfs/dbraw/zinc/56/63/86/583566386.db2.gz RUAKIDOWIPKAGM-UTLUCORTSA-N 1 3 254.334 -0.324 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878847 583566413 /nfs/dbraw/zinc/56/64/13/583566413.db2.gz ADFGQLNKKRWRQC-GXFFZTMASA-N 1 3 266.345 -0.308 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H](CC[NH3+])C2)=NO1 ZINC000852879800 583566882 /nfs/dbraw/zinc/56/68/82/583566882.db2.gz ZMWVDNKHNWMBCY-ZJUUUORDSA-N 1 3 254.334 -0.323 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H](CC[NH3+])C(F)F)=NO1 ZINC000852882017 583567058 /nfs/dbraw/zinc/56/70/58/583567058.db2.gz VRWMIJACRLZGFD-WDSKDSINSA-N 1 3 250.249 -0.811 20 0 CBADHO NC[C@@H]1CC(C(=O)NCCC[C@H]2CCC[NH2+]2)=NO1 ZINC000852882618 583567382 /nfs/dbraw/zinc/56/73/82/583567382.db2.gz MXCXRZGFNZRVPF-ZJUUUORDSA-N 1 3 254.334 -0.262 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)=NO1 ZINC000852882644 583567524 /nfs/dbraw/zinc/56/75/24/583567524.db2.gz NRPIFXJMUYTREE-SRVKXCTJSA-N 1 3 280.372 -0.062 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852884911 583568469 /nfs/dbraw/zinc/56/84/69/583568469.db2.gz PTJLBMKANLVDQB-SCVCMEIPSA-N 1 3 268.361 -0.111 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852884911 583568471 /nfs/dbraw/zinc/56/84/71/583568471.db2.gz PTJLBMKANLVDQB-SCVCMEIPSA-N 1 3 268.361 -0.111 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)=NO1 ZINC000852892321 583570455 /nfs/dbraw/zinc/57/04/55/583570455.db2.gz DKRFBTXVDOKPEH-ZJUUUORDSA-N 1 3 266.345 -0.119 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COC(=O)N1 ZINC000855347088 583636439 /nfs/dbraw/zinc/63/64/39/583636439.db2.gz SNINPTSKNKSLLG-QWRGUYRKSA-N 1 3 286.376 -0.517 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COC(=O)N1 ZINC000855347088 583636442 /nfs/dbraw/zinc/63/64/42/583636442.db2.gz SNINPTSKNKSLLG-QWRGUYRKSA-N 1 3 286.376 -0.517 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(C)n1 ZINC000855346918 583636453 /nfs/dbraw/zinc/63/64/53/583636453.db2.gz OJOMOGYYYGBUMI-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(C)n1 ZINC000855346918 583636456 /nfs/dbraw/zinc/63/64/56/583636456.db2.gz OJOMOGYYYGBUMI-NSHDSACASA-N 1 3 282.392 -0.183 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000857102656 583664428 /nfs/dbraw/zinc/66/44/28/583664428.db2.gz JFVQATJRRXTJLI-QWRGUYRKSA-N 1 3 258.366 -0.256 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000857109515 583665190 /nfs/dbraw/zinc/66/51/90/583665190.db2.gz MOZSVORDASHXSF-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000861592582 583771904 /nfs/dbraw/zinc/77/19/04/583771904.db2.gz NRUBCQVILHDEJF-STQMWFEESA-N 1 3 285.436 -0.142 20 0 CBADHO [NH3+]CCCOCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000861646608 583775195 /nfs/dbraw/zinc/77/51/95/583775195.db2.gz SMXZBPVYRWUURR-SECBINFHSA-N 1 3 280.319 -0.352 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000861712827 583780605 /nfs/dbraw/zinc/78/06/05/583780605.db2.gz URBYTIKIQCAKSB-AVGNSLFASA-N 1 3 267.373 -0.394 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000861712827 583780606 /nfs/dbraw/zinc/78/06/06/583780606.db2.gz URBYTIKIQCAKSB-AVGNSLFASA-N 1 3 267.373 -0.394 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000861756646 583784573 /nfs/dbraw/zinc/78/45/73/583784573.db2.gz FMEQHWTYRSFWHZ-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N(C)C1CC1 ZINC000861763221 583785040 /nfs/dbraw/zinc/78/50/40/583785040.db2.gz MGEKIAYFUYGOKH-VHSXEESVSA-N 1 3 270.377 -0.609 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000861784271 583786303 /nfs/dbraw/zinc/78/63/03/583786303.db2.gz WAIZPJNOLRMBCM-AVGNSLFASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000863755420 583853219 /nfs/dbraw/zinc/85/32/19/583853219.db2.gz PFRGSBBOJLHOLP-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863769081 583855558 /nfs/dbraw/zinc/85/55/58/583855558.db2.gz JBVMOYFVDVWIQH-RYUDHWBXSA-N 1 3 284.404 -0.267 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000863769477 583855749 /nfs/dbraw/zinc/85/57/49/583855749.db2.gz YNBCSALLJWLYPM-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000863769478 583855760 /nfs/dbraw/zinc/85/57/60/583855760.db2.gz YNBCSALLJWLYPM-LBPRGKRZSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)n1C ZINC000865178160 583899540 /nfs/dbraw/zinc/89/95/40/583899540.db2.gz RQFNNUPEPBNLCC-UHFFFAOYSA-N 1 3 283.376 -0.309 20 0 CBADHO Cn1nnnc1CCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000866665915 583926480 /nfs/dbraw/zinc/92/64/80/583926480.db2.gz KTMQVUQGYYAPKX-YPMHNXCESA-N 1 3 280.376 -0.419 20 0 CBADHO Cn1nnnc1CCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866665984 583926632 /nfs/dbraw/zinc/92/66/32/583926632.db2.gz JVSKXQYCCWTVCW-JSGCOSHPSA-N 1 3 294.403 -0.029 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867323964 583948294 /nfs/dbraw/zinc/94/82/94/583948294.db2.gz OGDNFVNUUVCVSI-OLZOCXBDSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867323964 583948295 /nfs/dbraw/zinc/94/82/95/583948295.db2.gz OGDNFVNUUVCVSI-OLZOCXBDSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867323965 583948392 /nfs/dbraw/zinc/94/83/92/583948392.db2.gz OGDNFVNUUVCVSI-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867323965 583948394 /nfs/dbraw/zinc/94/83/94/583948394.db2.gz OGDNFVNUUVCVSI-QWHCGFSZSA-N 1 3 296.415 -0.441 20 0 CBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC1(C)C ZINC000868407607 583978151 /nfs/dbraw/zinc/97/81/51/583978151.db2.gz YRUVPIHFSYRASN-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868407584 583978265 /nfs/dbraw/zinc/97/82/65/583978265.db2.gz YCLQGJHTLFKBIP-LLVKDONJSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@H](NC(=O)C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000870986082 584024440 /nfs/dbraw/zinc/02/44/40/584024440.db2.gz DWHFBDFEWSDMMA-JQWIXIFHSA-N 1 3 255.362 -0.131 20 0 CBADHO COCCN(C)C(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000871603958 584043427 /nfs/dbraw/zinc/04/34/27/584043427.db2.gz NYGPRAREGWMONK-VXGBXAGGSA-N 1 3 270.377 -0.048 20 0 CBADHO COC(=O)[C@@H]1OCC[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000872229802 584051729 /nfs/dbraw/zinc/05/17/29/584051729.db2.gz SQXQGPDBZYWFAP-RAIGVLPGSA-N 1 3 286.372 -0.391 20 0 CBADHO COC(=O)[C@@H]1OCC[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000872229802 584051731 /nfs/dbraw/zinc/05/17/31/584051731.db2.gz SQXQGPDBZYWFAP-RAIGVLPGSA-N 1 3 286.372 -0.391 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000872276718 584053095 /nfs/dbraw/zinc/05/30/95/584053095.db2.gz QREOKTJQOGDWCX-UWVGGRQHSA-N 1 3 268.361 -0.016 20 0 CBADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000872299488 584054826 /nfs/dbraw/zinc/05/48/26/584054826.db2.gz LGNQOVKNMWJCRC-SDDRHHMPSA-N 1 3 255.362 -0.001 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000873266323 584069593 /nfs/dbraw/zinc/06/95/93/584069593.db2.gz MOPMHXURJONETF-BZPMIXESSA-N 1 3 283.372 -0.526 20 0 CBADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000873267534 584069818 /nfs/dbraw/zinc/06/98/18/584069818.db2.gz ZQFLRXYOWGPLDI-OUCADQQQSA-N 1 3 283.372 -0.669 20 0 CBADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267534 584069821 /nfs/dbraw/zinc/06/98/21/584069821.db2.gz ZQFLRXYOWGPLDI-OUCADQQQSA-N 1 3 283.372 -0.669 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000873267229 584069893 /nfs/dbraw/zinc/06/98/93/584069893.db2.gz 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/nfs/dbraw/zinc/14/15/95/584141595.db2.gz UMFLQSPVQALBPQ-STQMWFEESA-N 1 3 268.405 -0.038 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876745068 584141955 /nfs/dbraw/zinc/14/19/55/584141955.db2.gz YPZOFERSIFZYSP-FDYHWXHSSA-N 1 3 285.363 -0.087 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876744939 584142181 /nfs/dbraw/zinc/14/21/81/584142181.db2.gz HTTKOUSIDYXMKW-QWRGUYRKSA-N 1 3 261.341 -0.372 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876751444 584142293 /nfs/dbraw/zinc/14/22/93/584142293.db2.gz QCUREZFVNSKSKX-LBPRGKRZSA-N 1 3 295.387 -0.281 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876756830 584142908 /nfs/dbraw/zinc/14/29/08/584142908.db2.gz ZNNCDBSTBABCSN-UTLUCORTSA-N 1 3 277.315 -0.337 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000876772699 584143512 /nfs/dbraw/zinc/14/35/12/584143512.db2.gz RAOXUJABDSDGCN-TUAOUCFPSA-N 1 3 256.394 -0.184 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000876772699 584143513 /nfs/dbraw/zinc/14/35/13/584143513.db2.gz RAOXUJABDSDGCN-TUAOUCFPSA-N 1 3 256.394 -0.184 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876782252 584144156 /nfs/dbraw/zinc/14/41/56/584144156.db2.gz VBBXGIZDWIGVAQ-STQMWFEESA-N 1 3 286.395 -0.312 20 0 CBADHO COCCNCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876792770 584144870 /nfs/dbraw/zinc/14/48/70/584144870.db2.gz YYJDCAKHMSVJDZ-RXNFCKPNSA-N 1 3 255.362 -0.106 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841031 584148479 /nfs/dbraw/zinc/14/84/79/584148479.db2.gz IWPTZOZZJTTWMQ-AAEUAGOBSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@@]1(C(=O)N[C@@H]2CNCCC2(F)F)CCCOC1 ZINC000876866342 584151002 /nfs/dbraw/zinc/15/10/02/584151002.db2.gz RSXTWMDKYYVDAU-KOLCDFICSA-N 1 3 277.315 -0.145 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876884675 584153150 /nfs/dbraw/zinc/15/31/50/584153150.db2.gz RONNFFCTRZKIAH-GRYCIOLGSA-N 1 3 256.394 -0.326 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876884675 584153151 /nfs/dbraw/zinc/15/31/51/584153151.db2.gz RONNFFCTRZKIAH-GRYCIOLGSA-N 1 3 256.394 -0.326 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000876913878 584154957 /nfs/dbraw/zinc/15/49/57/584154957.db2.gz VKVCJSGOZRIUTK-FRRDWIJNSA-N 1 3 268.405 -0.134 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924992 584156031 /nfs/dbraw/zinc/15/60/31/584156031.db2.gz YWGZLJAANWJPOA-ZDUSSCGKSA-N 1 3 252.362 -0.754 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876934843 584156798 /nfs/dbraw/zinc/15/67/98/584156798.db2.gz JZGUZSURJFHWAN-QWRGUYRKSA-N 1 3 254.378 -0.334 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)c1c(CN)cnn1C ZINC000876977608 584159357 /nfs/dbraw/zinc/15/93/57/584159357.db2.gz ZLHYJFGBWYMAHA-SNVBAGLBSA-N 1 3 253.350 -0.018 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000876985242 584159798 /nfs/dbraw/zinc/15/97/98/584159798.db2.gz ORQPZSYTHBWDKH-GXFFZTMASA-N 1 3 263.345 -0.168 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000876985244 584159922 /nfs/dbraw/zinc/15/99/22/584159922.db2.gz ORQPZSYTHBWDKH-ZWNOBZJWSA-N 1 3 263.345 -0.168 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010020 584161724 /nfs/dbraw/zinc/16/17/24/584161724.db2.gz ILUCFGOAGUFYOL-MELADBBJSA-N 1 3 276.384 -0.253 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000877102757 584166089 /nfs/dbraw/zinc/16/60/89/584166089.db2.gz DBQZZBCVRVLNPY-GHMZBOCLSA-N 1 3 270.377 -0.798 20 0 CBADHO CC1(C)CC[C@H](CNC(=O)CN2CCNCC2)[NH2+]C1 ZINC000877150884 584168206 /nfs/dbraw/zinc/16/82/06/584168206.db2.gz DVXLLPPXMJSLJS-GFCCVEGCSA-N 1 3 268.405 -0.214 20 0 CBADHO C[NH2+][C@@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206666 584170590 /nfs/dbraw/zinc/17/05/90/584170590.db2.gz LEFGDDWHDTWNGJ-JTQLQIEISA-N 1 3 288.355 -0.050 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250625 584172647 /nfs/dbraw/zinc/17/26/47/584172647.db2.gz QYSOXRZCVICPAW-BZPMIXESSA-N 1 3 296.415 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250625 584172650 /nfs/dbraw/zinc/17/26/50/584172650.db2.gz QYSOXRZCVICPAW-BZPMIXESSA-N 1 3 296.415 -0.362 20 0 CBADHO COCCC1(NC(=O)CN2CCNCC2)CC[NH2+]CC1 ZINC000877268371 584174120 /nfs/dbraw/zinc/17/41/20/584174120.db2.gz CEZUCZQYUIIXMU-UHFFFAOYSA-N 1 3 284.404 -0.834 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289922 584176064 /nfs/dbraw/zinc/17/60/64/584176064.db2.gz WUKDKJIPCBVWHV-WOPDTQHZSA-N 1 3 253.346 -0.282 20 0 CBADHO CCNCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336534 584179080 /nfs/dbraw/zinc/17/90/80/584179080.db2.gz KIAFJHCYRMMFNM-LLVKDONJSA-N 1 3 255.362 -0.129 20 0 CBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@]1(F)CCNC1 ZINC000877335663 584179171 /nfs/dbraw/zinc/17/91/71/584179171.db2.gz DDPRPHBOGSAEBJ-SMDDNHRTSA-N 1 3 285.363 -0.037 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374046 584180023 /nfs/dbraw/zinc/18/00/23/584180023.db2.gz VUIUAUZFTPBULF-VHRBIJSZSA-N 1 3 282.388 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391070 584180618 /nfs/dbraw/zinc/18/06/18/584180618.db2.gz MJIRICIOTQVQOP-SCDSUCTJSA-N 1 3 282.388 -0.513 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000877451532 584182207 /nfs/dbraw/zinc/18/22/07/584182207.db2.gz QJRXJUWDGZOOSH-OBJOEFQTSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000877451532 584182208 /nfs/dbraw/zinc/18/22/08/584182208.db2.gz QJRXJUWDGZOOSH-OBJOEFQTSA-N 1 3 296.415 -0.219 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877450820 584182334 /nfs/dbraw/zinc/18/23/34/584182334.db2.gz GDUALWWLFOFSFZ-ABHRYQDASA-N 1 3 279.384 -0.083 20 0 CBADHO CN1CCCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877936376 584188291 /nfs/dbraw/zinc/18/82/91/584188291.db2.gz YENYHOQULNODSF-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)CCn1cnnn1 ZINC000878311581 584199150 /nfs/dbraw/zinc/19/91/50/584199150.db2.gz QIMAKLCAEBJQTM-UHFFFAOYSA-N 1 3 281.408 -0.369 20 0 CBADHO C[NH+]1CCC(NC(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000878543557 584207682 /nfs/dbraw/zinc/20/76/82/584207682.db2.gz GALTXAPYOYIFKD-AWEZNQCLSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnn(C)n1 ZINC000880663950 584285609 /nfs/dbraw/zinc/28/56/09/584285609.db2.gz JCRYUGHBWLMOIK-JTQLQIEISA-N 1 3 283.380 -0.788 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnn(C)n1 ZINC000880663950 584285611 /nfs/dbraw/zinc/28/56/11/584285611.db2.gz JCRYUGHBWLMOIK-JTQLQIEISA-N 1 3 283.380 -0.788 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)CCN1C ZINC000883349570 584340159 /nfs/dbraw/zinc/34/01/59/584340159.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@@H]1C[C@@H](NCCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349570 584340161 /nfs/dbraw/zinc/34/01/61/584340161.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@@H]1C[C@@H](NCCN(C)CCOCCO)CC[N@H+]1C ZINC000883349570 584340162 /nfs/dbraw/zinc/34/01/62/584340162.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)CCN1C ZINC000883349569 584340208 /nfs/dbraw/zinc/34/02/08/584340208.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@H]1C[C@@H](NCCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349569 584340210 /nfs/dbraw/zinc/34/02/10/584340210.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 1 3 273.421 -0.001 20 0 CBADHO C[C@H]1C[C@@H](NCCN(C)CCOCCO)CC[N@H+]1C ZINC000883349569 584340211 /nfs/dbraw/zinc/34/02/11/584340211.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 1 3 273.421 -0.001 20 0 CBADHO c1nnnn1CCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000883428133 584341802 /nfs/dbraw/zinc/34/18/02/584341802.db2.gz MNEXXLKEMSBPRH-GFCCVEGCSA-N 1 3 250.350 -0.005 20 0 CBADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCn3cnnn3)CC2)C1 ZINC000883432887 584342223 /nfs/dbraw/zinc/34/22/23/584342223.db2.gz CNPSLWDQKWROOZ-QWHCGFSZSA-N 1 3 280.376 -0.109 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000884236094 584369170 /nfs/dbraw/zinc/36/91/70/584369170.db2.gz MJCVZEWXDGSMRX-OLZOCXBDSA-N 1 3 284.404 -0.802 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000884236094 584369171 /nfs/dbraw/zinc/36/91/71/584369171.db2.gz MJCVZEWXDGSMRX-OLZOCXBDSA-N 1 3 284.404 -0.802 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884238123 584369451 /nfs/dbraw/zinc/36/94/51/584369451.db2.gz UMNMNAKGQHSPMZ-NSHDSACASA-N 1 3 277.372 -0.184 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000884336372 584375095 /nfs/dbraw/zinc/37/50/95/584375095.db2.gz OQJCLVCRANGJHO-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CCOC)C[C@H]1C[NH3+] ZINC000884385965 584377844 /nfs/dbraw/zinc/37/78/44/584377844.db2.gz ALYKPGLKJGAJMY-OUAUKWLOSA-N 1 3 259.350 -0.828 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000884420551 584380758 /nfs/dbraw/zinc/38/07/58/584380758.db2.gz WODZHIUGXDDIPH-RYUDHWBXSA-N 1 3 273.377 -0.471 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000884491123 584384744 /nfs/dbraw/zinc/38/47/44/584384744.db2.gz OAQVQAZRJZXJQB-FRRDWIJNSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000884528937 584386505 /nfs/dbraw/zinc/38/65/05/584386505.db2.gz BBPLSGMZUBMJQS-GHMZBOCLSA-N 1 3 282.388 -0.465 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 ZINC000884529047 584386666 /nfs/dbraw/zinc/38/66/66/584386666.db2.gz DYWNZMQFAZKIRQ-QWRGUYRKSA-N 1 3 280.372 -0.840 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884617654 584391237 /nfs/dbraw/zinc/39/12/37/584391237.db2.gz PRBLHQWRLBHBAB-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884617652 584391251 /nfs/dbraw/zinc/39/12/51/584391251.db2.gz PRBLHQWRLBHBAB-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1=CCN(C)CC1 ZINC000884624096 584391710 /nfs/dbraw/zinc/39/17/10/584391710.db2.gz YAPWVFVOLBUPJI-DRZSPHRISA-N 1 3 292.383 -0.674 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884650412 584392508 /nfs/dbraw/zinc/39/25/08/584392508.db2.gz ISZAEPCMMNASAA-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884650413 584392532 /nfs/dbraw/zinc/39/25/32/584392532.db2.gz ISZAEPCMMNASAA-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884650840 584392678 /nfs/dbraw/zinc/39/26/78/584392678.db2.gz XKLHJOVYVDXVIE-UHFFFAOYSA-N 1 3 272.393 -0.312 20 0 CBADHO CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCC1(C)C ZINC000884679150 584395540 /nfs/dbraw/zinc/39/55/40/584395540.db2.gz XTHXPBIXZYHRBB-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884684822 584395937 /nfs/dbraw/zinc/39/59/37/584395937.db2.gz PXJFTLGBNUHQHT-SNVBAGLBSA-N 1 3 270.377 -0.608 20 0 CBADHO CN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CCC1(C)C ZINC000884690027 584397299 /nfs/dbraw/zinc/39/72/99/584397299.db2.gz IAVOQBHODMTURF-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC1CNC1 ZINC000884692918 584397973 /nfs/dbraw/zinc/39/79/73/584397973.db2.gz DVIVFGOHBMBFNF-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884704399 584398851 /nfs/dbraw/zinc/39/88/51/584398851.db2.gz FSRVHYDYVGTADY-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705448 584399602 /nfs/dbraw/zinc/39/96/02/584399602.db2.gz UZCMNRBZBWMBNT-IFQILLTASA-N 1 3 284.404 -0.171 20 0 CBADHO CN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CCC1(C)C ZINC000884708200 584399828 /nfs/dbraw/zinc/39/98/28/584399828.db2.gz QLHJVLXOSZKKRK-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](C(N)=O)N(C)[C@H]1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000886389506 584438697 /nfs/dbraw/zinc/43/86/97/584438697.db2.gz LZDSWGDDYHTXSK-DDHJBXDOSA-N 1 3 284.404 -0.091 20 0 CBADHO C[C@H](C(N)=O)N(C)[C@H]1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC000886389506 584438700 /nfs/dbraw/zinc/43/87/00/584438700.db2.gz LZDSWGDDYHTXSK-DDHJBXDOSA-N 1 3 284.404 -0.091 20 0 CBADHO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCCN(C)C ZINC000886893330 584451212 /nfs/dbraw/zinc/45/12/12/584451212.db2.gz POLSDBJXYYHXDT-LLVKDONJSA-N 1 3 263.407 -0.048 20 0 CBADHO CCN(C(=O)C(=O)N(C)CCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000887066319 584460945 /nfs/dbraw/zinc/46/09/45/584460945.db2.gz JLHPTPGWXGRITM-LLVKDONJSA-N 1 3 270.377 -0.783 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891493560 584582630 /nfs/dbraw/zinc/58/26/30/584582630.db2.gz UZKXSLWCLYYTGP-QWRGUYRKSA-N 1 3 256.350 -0.680 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513950 584583490 /nfs/dbraw/zinc/58/34/90/584583490.db2.gz KHPDEANIMLUKMJ-YVECIDJPSA-N 1 3 282.388 -0.114 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514440 584583521 /nfs/dbraw/zinc/58/35/21/584583521.db2.gz RPIGAMCKRASOHN-RFQIPJPRSA-N 1 3 294.399 -0.005 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891514661 584583606 /nfs/dbraw/zinc/58/36/06/584583606.db2.gz WHBHULFDAZLOSX-QNWHQSFQSA-N 1 3 280.372 -0.395 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892056818 584602261 /nfs/dbraw/zinc/60/22/61/584602261.db2.gz VISYZHQPGXUGCU-QWRGUYRKSA-N 1 3 272.393 -0.132 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892097847 584604514 /nfs/dbraw/zinc/60/45/14/584604514.db2.gz SHCLFZWVIUNEOS-ZJUUUORDSA-N 1 3 258.366 -0.522 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892140979 584605809 /nfs/dbraw/zinc/60/58/09/584605809.db2.gz GIEOHUNKTKKGPZ-MXWKQRLJSA-N 1 3 272.393 -0.134 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892147088 584605996 /nfs/dbraw/zinc/60/59/96/584605996.db2.gz RVIAHPJCCHOYCK-QWRGUYRKSA-N 1 3 272.393 -0.132 20 0 CBADHO O=C(N[C@@H]1CNCCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892157153 584606306 /nfs/dbraw/zinc/60/63/06/584606306.db2.gz PJYNUYIDBLBXLU-XHNCKOQMSA-N 1 3 260.288 -0.261 20 0 CBADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CNCCO1 ZINC000892183852 584608084 /nfs/dbraw/zinc/60/80/84/584608084.db2.gz LRKLMJVQWPKVQS-YVECIDJPSA-N 1 3 282.388 -0.195 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892183874 584608430 /nfs/dbraw/zinc/60/84/30/584608430.db2.gz MDBCLWUDWNDDRB-GVXVVHGQSA-N 1 3 268.361 -0.441 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000892189983 584608789 /nfs/dbraw/zinc/60/87/89/584608789.db2.gz QTFZSKCOIOBYKB-VWYCJHECSA-N 1 3 256.350 -0.456 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892307239 584614407 /nfs/dbraw/zinc/61/44/07/584614407.db2.gz WEYOERHHGWRNBG-SDDRHHMPSA-N 1 3 284.404 -0.119 20 0 CBADHO CCN(CCO)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892556322 584618592 /nfs/dbraw/zinc/61/85/92/584618592.db2.gz XXNJRLMOWBHMGC-PHIMTYICSA-N 1 3 258.366 -0.663 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](CN)C1 ZINC000892568547 584619304 /nfs/dbraw/zinc/61/93/04/584619304.db2.gz WHMOZHWTAJZKDB-DCAQKATOSA-N 1 3 255.366 -0.992 20 0 CBADHO CCC1([NH3+])CCN(C(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000892926829 584630044 /nfs/dbraw/zinc/63/00/44/584630044.db2.gz YJHSENGMXUTEFT-CQSZACIVSA-N 1 3 284.404 -0.034 20 0 CBADHO C[NH+]1CCC(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000894801225 584664659 /nfs/dbraw/zinc/66/46/59/584664659.db2.gz WVTTWILBMSEJPY-STQMWFEESA-N 1 3 267.373 -0.083 20 0 CBADHO CC(C)(O)C[NH+]1CCC(NCCN2CCNC2=O)CC1 ZINC000895814940 584687469 /nfs/dbraw/zinc/68/74/69/584687469.db2.gz UWQVJLMXLGIWSO-UHFFFAOYSA-N 1 3 284.404 -0.164 20 0 CBADHO C[C@H]1CCN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000897441581 584716568 /nfs/dbraw/zinc/71/65/68/584716568.db2.gz HCQZPWPZSOUAHF-JSGCOSHPSA-N 1 3 286.420 -0.060 20 0 CBADHO CN1CCC[C@@](O)(CC(=O)NCCC[NH+](C)C)C1 ZINC000899919785 584784997 /nfs/dbraw/zinc/78/49/97/584784997.db2.gz FVQTZCYBVWMERC-CYBMUJFWSA-N 1 3 257.378 -0.099 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900625635 584817138 /nfs/dbraw/zinc/81/71/38/584817138.db2.gz XTKAKGIOZODCKZ-ZFWWWQNUSA-N 1 3 299.415 -0.330 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900625635 584817139 /nfs/dbraw/zinc/81/71/39/584817139.db2.gz XTKAKGIOZODCKZ-ZFWWWQNUSA-N 1 3 299.415 -0.330 20 0 CBADHO CN(C)CCn1nccc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000901185635 584853934 /nfs/dbraw/zinc/85/39/34/584853934.db2.gz FIOIEUDACQPXHM-CQSZACIVSA-N 1 3 297.403 -0.513 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000903421415 584890152 /nfs/dbraw/zinc/89/01/52/584890152.db2.gz OKTNAKRWFSSHKF-ILXRZTDVSA-N 1 3 294.443 -0.014 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NC1CC1)C2 ZINC000903490643 584891729 /nfs/dbraw/zinc/89/17/29/584891729.db2.gz BNLIHNFTMJBZTM-RBZYPMLTSA-N 1 3 281.356 -0.523 20 0 CBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H]1CCOC1=O)C2 ZINC000903492309 584891732 /nfs/dbraw/zinc/89/17/32/584891732.db2.gz AQGNJJDIJYHZKO-WJZNIJOASA-N 1 3 268.313 -0.486 20 0 CBADHO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000903492501 584891742 /nfs/dbraw/zinc/89/17/42/584891742.db2.gz GOKDDFJWFGWFAQ-SNVBAGLBSA-N 1 3 264.395 -0.901 20 0 CBADHO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCNC1 ZINC000903562906 584893349 /nfs/dbraw/zinc/89/33/49/584893349.db2.gz LDKSGNQLYPFVBJ-VPOLOUISSA-N 1 3 259.375 -0.449 20 0 CBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@H]1CCCNC1)C2 ZINC000903576482 584893851 /nfs/dbraw/zinc/89/38/51/584893851.db2.gz LMKLYYPHOWTMKH-BJDJZHNGSA-N 1 3 273.402 -0.120 20 0 CBADHO O=S(=O)([C@@H]1CCCNC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591597 584894183 /nfs/dbraw/zinc/89/41/83/584894183.db2.gz GPLNFGDGANJMKU-NEPJUHHUSA-N 1 3 273.402 -0.104 20 0 CBADHO Cn1ccnc1[C@H]1CNCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903747009 584896984 /nfs/dbraw/zinc/89/69/84/584896984.db2.gz NKPOKMPNHAHQJV-UONOGXRCSA-N 1 3 293.415 -0.177 20 0 CBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1 ZINC000903769146 584898007 /nfs/dbraw/zinc/89/80/07/584898007.db2.gz YRCDLDJUKWCDCM-XGUBFFRZSA-N 1 3 281.400 -0.494 20 0 CBADHO C[C@@H]1CN(CCN2CCCS2(=O)=O)CC[C@@H]1C[NH3+] ZINC000903788162 584899711 /nfs/dbraw/zinc/89/97/11/584899711.db2.gz CZCPNLGTPUJFST-VXGBXAGGSA-N 1 3 275.418 -0.061 20 0 CBADHO C[C@H]1CN(CCN2CCCS2(=O)=O)CC[C@@H]1C[NH3+] ZINC000903788160 584899752 /nfs/dbraw/zinc/89/97/52/584899752.db2.gz CZCPNLGTPUJFST-NWDGAFQWSA-N 1 3 275.418 -0.061 20 0 CBADHO CC[N@H+](CCC(=O)NC)C[C@H]1CCC2(CNC2)O1 ZINC000903825972 584901032 /nfs/dbraw/zinc/90/10/32/584901032.db2.gz GRFPKJGILASJNS-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[N@@H+](CCC(=O)NC)C[C@H]1CCC2(CNC2)O1 ZINC000903825972 584901033 /nfs/dbraw/zinc/90/10/33/584901033.db2.gz GRFPKJGILASJNS-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@](Cn1cccn1)(NC[C@@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000903829413 584901228 /nfs/dbraw/zinc/90/12/28/584901228.db2.gz GGXDIRBOPYWSLT-MDZLAQPJSA-N 1 3 265.361 -0.156 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903870612 584902727 /nfs/dbraw/zinc/90/27/27/584902727.db2.gz ODBLBPIQHSUAIZ-ZIAGYGMSSA-N 1 3 271.405 -0.247 20 0 CBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]([NH3+])CC(F)F ZINC000903915892 584904586 /nfs/dbraw/zinc/90/45/86/584904586.db2.gz DFCVKLXZLMZDGI-BDAKNGLRSA-N 1 3 265.304 -0.194 20 0 CBADHO CC1(C)CN(C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1[NH3+] ZINC000903986688 584905477 /nfs/dbraw/zinc/90/54/77/584905477.db2.gz PLTDWWGQWRBYOM-NWDGAFQWSA-N 1 3 268.405 -0.147 20 0 CBADHO CC1(C)CN(C[C@H]2CCCN(C(=O)CN)C2)C[C@@H]1[NH3+] ZINC000903986687 584905498 /nfs/dbraw/zinc/90/54/98/584905498.db2.gz PLTDWWGQWRBYOM-NEPJUHHUSA-N 1 3 268.405 -0.147 20 0 CBADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+](C)C ZINC000969846510 614189311 /nfs/dbraw/zinc/18/93/11/614189311.db2.gz XBDVFRLONCOPFP-ZYHUDNBSSA-N 1 3 270.377 -0.752 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC000969985864 615374388 /nfs/dbraw/zinc/37/43/88/615374388.db2.gz NCVNEOCIKBBMTI-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC000969985201 615374464 /nfs/dbraw/zinc/37/44/64/615374464.db2.gz FANLVGJIIJWUMC-UPJWGTAASA-N 1 3 296.415 -0.252 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC000969985670 615822380 /nfs/dbraw/zinc/82/23/80/615822380.db2.gz LVSQURNTYUWZGA-WOPDTQHZSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC000969595032 615822732 /nfs/dbraw/zinc/82/27/32/615822732.db2.gz LIGJZSKVLHHIQZ-GRYCIOLGSA-N 1 3 282.388 -0.465 20 0 CBADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963955612 615827299 /nfs/dbraw/zinc/82/72/99/615827299.db2.gz PKPHAZGXWACQSQ-UHFFFAOYSA-N 1 3 293.371 -0.203 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC000968924810 616045031 /nfs/dbraw/zinc/04/50/31/616045031.db2.gz YERRLNHFZBWINJ-DGCLKSJQSA-N 1 3 294.399 -0.450 20 0 CBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC000970178504 616167893 /nfs/dbraw/zinc/16/78/93/616167893.db2.gz UJMFUKSRKFBVOG-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968967502 616213375 /nfs/dbraw/zinc/21/33/75/616213375.db2.gz RSXCSZRDSSAXSB-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968967502 616213376 /nfs/dbraw/zinc/21/33/76/616213376.db2.gz RSXCSZRDSSAXSB-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO COCCN1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590956 616441578 /nfs/dbraw/zinc/44/15/78/616441578.db2.gz DCXVTVAKLHQFGL-QWHCGFSZSA-N 1 3 297.399 -0.863 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000923665644 658388147 /nfs/dbraw/zinc/38/81/47/658388147.db2.gz GABJLEDRGDTIFJ-MWLCHTKSSA-N 1 3 259.375 -0.686 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]21 ZINC000923665644 658388164 /nfs/dbraw/zinc/38/81/64/658388164.db2.gz GABJLEDRGDTIFJ-MWLCHTKSSA-N 1 3 259.375 -0.686 20 0 CBADHO COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923487220 658304715 /nfs/dbraw/zinc/30/47/15/658304715.db2.gz BCYDHZMWPPVDIR-GHMZBOCLSA-N 1 3 286.376 -0.482 20 0 CBADHO C[C@H]1CN(CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000923488406 658304759 /nfs/dbraw/zinc/30/47/59/658304759.db2.gz FLMRTBXMZROAJU-WDEREUQCSA-N 1 3 263.407 -0.206 20 0 CBADHO [NH3+][C@@H](CNS(=O)(=O)N1CCNCC1)c1ccccc1 ZINC000923570027 658334626 /nfs/dbraw/zinc/33/46/26/658334626.db2.gz PCBRZFANLLBORT-LBPRGKRZSA-N 1 3 284.385 -0.574 20 0 CBADHO C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923618204 658353950 /nfs/dbraw/zinc/35/39/50/658353950.db2.gz KINRBIOOLXKRQU-RYUDHWBXSA-N 1 3 290.433 -0.592 20 0 CBADHO C[C@H](NS(=O)(=O)C1CNC1)C(C)(C)C[NH+](C)C ZINC000923624503 658356734 /nfs/dbraw/zinc/35/67/34/658356734.db2.gz IXXYUGOSVKGXMF-VIFPVBQESA-N 1 3 263.407 -0.146 20 0 CBADHO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623202 658357968 /nfs/dbraw/zinc/35/79/68/658357968.db2.gz YCFUWRCREGPNRV-JTQLQIEISA-N 1 3 261.391 -0.438 20 0 CBADHO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923623202 658357977 /nfs/dbraw/zinc/35/79/77/658357977.db2.gz YCFUWRCREGPNRV-JTQLQIEISA-N 1 3 261.391 -0.438 20 0 CBADHO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923622237 658358294 /nfs/dbraw/zinc/35/82/94/658358294.db2.gz WDTHBTPGMLOQJO-LLVKDONJSA-N 1 3 275.418 -0.048 20 0 CBADHO CC[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000923636740 658368123 /nfs/dbraw/zinc/36/81/23/658368123.db2.gz NHGPNGUGHGUCCH-WDEREUQCSA-N 1 3 276.406 -0.804 20 0 CBADHO O=S(=O)(NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCC[NH2+]C1 ZINC000923644110 658370152 /nfs/dbraw/zinc/37/01/52/658370152.db2.gz HPQSFBTXZKKZEC-LPEHRKFASA-N 1 3 265.354 -0.642 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923655602 658380586 /nfs/dbraw/zinc/38/05/86/658380586.db2.gz PPRVNKDCXKQPAH-GFCCVEGCSA-N 1 3 287.429 0.000 20 0 CBADHO CC1(C)CC[C@@H](CNS(=O)(=O)N2CCNCC2)[NH2+]C1 ZINC000923664528 658386986 /nfs/dbraw/zinc/38/69/86/658386986.db2.gz BVHQYHXCWKEGTA-NSHDSACASA-N 1 3 290.433 -0.496 20 0 CBADHO [NH3+][C@@H](CCNS(=O)(=O)C1CNC1)Cc1ccccc1 ZINC000923665714 658387206 /nfs/dbraw/zinc/38/72/06/658387206.db2.gz JWQSJOGAFXDAEQ-LBPRGKRZSA-N 1 3 283.397 -0.162 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@H]21 ZINC000923665121 658387930 /nfs/dbraw/zinc/38/79/30/658387930.db2.gz BUOKGLLELMQOSY-NWDGAFQWSA-N 1 3 288.417 -0.838 20 0 CBADHO C[N@H+]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@H]21 ZINC000923665121 658387941 /nfs/dbraw/zinc/38/79/41/658387941.db2.gz BUOKGLLELMQOSY-NWDGAFQWSA-N 1 3 288.417 -0.838 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(CCOCC[NH+](C)C)C1=O ZINC000924730053 658633491 /nfs/dbraw/zinc/63/34/91/658633491.db2.gz OCDLTNWYUYWVCE-JTQLQIEISA-N 1 3 272.349 -0.953 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)CCO ZINC000925007505 658736627 /nfs/dbraw/zinc/73/66/27/658736627.db2.gz QEOMYEMFNZFURC-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CNOC2)CC[NH2+]CC1 ZINC000925861270 658875008 /nfs/dbraw/zinc/87/50/08/658875008.db2.gz ZUGLQZNOQLLQTB-GHMZBOCLSA-N 1 3 271.361 -0.199 20 0 CBADHO COC(=O)[C@@](C)(O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436020 659460956 /nfs/dbraw/zinc/46/09/56/659460956.db2.gz JWIBIJXGVOSTCP-LOWVWBTDSA-N 1 3 256.346 -0.206 20 0 CBADHO COC(=O)[C@@](C)(O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436020 659460972 /nfs/dbraw/zinc/46/09/72/659460972.db2.gz JWIBIJXGVOSTCP-LOWVWBTDSA-N 1 3 256.346 -0.206 20 0 CBADHO Cn1nnnc1CCN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931442069 659465644 /nfs/dbraw/zinc/46/56/44/659465644.db2.gz TVXUMWLSOMNCJE-MNOVXSKESA-N 1 3 250.350 -0.364 20 0 CBADHO Cn1nnnc1CCN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931442069 659465660 /nfs/dbraw/zinc/46/56/60/659465660.db2.gz TVXUMWLSOMNCJE-MNOVXSKESA-N 1 3 250.350 -0.364 20 0 CBADHO CON(C)C(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931482093 659470914 /nfs/dbraw/zinc/47/09/14/659470914.db2.gz ORNIEFVYBZSKGJ-UHFFFAOYSA-N 1 3 273.377 -0.215 20 0 CBADHO CCOC(=O)[C@@](C)(O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481764 659472159 /nfs/dbraw/zinc/47/21/59/659472159.db2.gz LGAXKRMRJYGMSS-ZDUSSCGKSA-N 1 3 288.388 -0.311 20 0 CBADHO CC(=O)NCCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931483150 659472909 /nfs/dbraw/zinc/47/29/09/659472909.db2.gz WCVFGYIQKOXWFV-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN1CCC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044558099 656010580 /nfs/dbraw/zinc/01/05/80/656010580.db2.gz HRGRKXWFLSXUIL-VXGBXAGGSA-N 1 3 275.418 0.000 20 0 CBADHO COCCNC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000066246629 656036409 /nfs/dbraw/zinc/03/64/09/656036409.db2.gz JORNZZASDCAXFO-LBPRGKRZSA-N 1 3 299.419 -0.520 20 0 CBADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091667898 656059262 /nfs/dbraw/zinc/05/92/62/656059262.db2.gz OJVFDJVHCRVYOU-TZMCWYRMSA-N 1 3 297.399 -0.266 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC1=O ZINC000179085876 656089674 /nfs/dbraw/zinc/08/96/74/656089674.db2.gz KFEVLSVVUUJQHM-NEPJUHHUSA-N 1 3 282.388 -0.783 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250572378 656122026 /nfs/dbraw/zinc/12/20/26/656122026.db2.gz LHHYPMLCHVAIAG-DYEKYZERSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250572378 656122027 /nfs/dbraw/zinc/12/20/27/656122027.db2.gz LHHYPMLCHVAIAG-DYEKYZERSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[NH2+]CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252554298 656122899 /nfs/dbraw/zinc/12/28/99/656122899.db2.gz ROVZDHFQGUTCGL-RYUDHWBXSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262135223 656129418 /nfs/dbraw/zinc/12/94/18/656129418.db2.gz OGDKCVVEEKTNBN-WZRBSPASSA-N 1 3 284.404 -0.186 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)c1c(CN)cnn1C ZINC000719256310 656234573 /nfs/dbraw/zinc/23/45/73/656234573.db2.gz LKMALLPFWOVBIZ-SECBINFHSA-N 1 3 253.350 -0.051 20 0 CBADHO [NH3+]CC12CCC(CC1)N2C(=O)C[C@@H]1CNCCO1 ZINC000877192942 656245629 /nfs/dbraw/zinc/24/56/29/656245629.db2.gz VCTFIAUENQWJTL-QWKFWESOSA-N 1 3 253.346 -0.153 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CNC[C@@H]1CCCO1)C2 ZINC000877380058 656246065 /nfs/dbraw/zinc/24/60/65/656246065.db2.gz QCNPLZOEXFFIDP-SGMGOOAPSA-N 1 3 267.373 -0.177 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009657 656258835 /nfs/dbraw/zinc/25/88/35/656258835.db2.gz AYMRTTQKOFHJKU-CLLJXQQHSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[NH+]1CCC(NC[C@H](O)C2(O)CCOCC2)CC1 ZINC000905025533 656335152 /nfs/dbraw/zinc/33/51/52/656335152.db2.gz LGTZIRMZYOSFEC-ZDUSSCGKSA-N 1 3 272.389 -0.037 20 0 CBADHO CN1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1(C)C ZINC000905245023 656346100 /nfs/dbraw/zinc/34/61/00/656346100.db2.gz BHIAKEKMPBJJMD-CYBMUJFWSA-N 1 3 285.432 -0.122 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCC1)C1(O)CCC1 ZINC000905344594 656351438 /nfs/dbraw/zinc/35/14/38/656351438.db2.gz KHDGRHYWYJRUGL-NWDGAFQWSA-N 1 3 258.362 -0.691 20 0 CBADHO N[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1F ZINC000905361693 656353567 /nfs/dbraw/zinc/35/35/67/656353567.db2.gz KRPGTVINQYKNGF-GHMZBOCLSA-N 1 3 279.381 -0.313 20 0 CBADHO O=c1ccn(CCCNC[C@H](O)C[NH+]2CCCC2)c(=O)[nH]1 ZINC000905702929 656366746 /nfs/dbraw/zinc/36/67/46/656366746.db2.gz RRIBVYGOYHHEMJ-LBPRGKRZSA-N 1 3 296.371 -0.615 20 0 CBADHO CC(C)[C@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+](C)C ZINC000996250784 656405187 /nfs/dbraw/zinc/40/51/87/656405187.db2.gz XVHQGEWXAGZKOP-WCQYABFASA-N 1 3 298.431 -0.116 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997007888 656463244 /nfs/dbraw/zinc/46/32/44/656463244.db2.gz RGIMMFSCFWZVLJ-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000997037042 656464354 /nfs/dbraw/zinc/46/43/54/656464354.db2.gz RHKGEOAJTJBORE-VIFPVBQESA-N 1 3 279.344 -0.593 20 0 CBADHO O=C(CN1CCCC1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997307471 656472503 /nfs/dbraw/zinc/47/25/03/656472503.db2.gz RTGBHBZFDNHJNM-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998550677 656546567 /nfs/dbraw/zinc/54/65/67/656546567.db2.gz OJEGEANOZGXDLC-ILDUYXDCSA-N 1 3 268.361 -0.855 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372828 656625147 /nfs/dbraw/zinc/62/51/47/656625147.db2.gz PEHVALVXGDLJEN-WCQYABFASA-N 1 3 282.388 -0.608 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC000999372835 656625762 /nfs/dbraw/zinc/62/57/62/656625762.db2.gz PEHVALVXGDLJEN-YPMHNXCESA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH+]1CCC(O[N-]C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000908029506 656627677 /nfs/dbraw/zinc/62/76/77/656627677.db2.gz LWGFVAUWMXPQJS-CQSZACIVSA-N 1 3 285.388 -0.025 20 0 CBADHO C[NH+]1CCC(O[N-]C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000908029506 656627684 /nfs/dbraw/zinc/62/76/84/656627684.db2.gz LWGFVAUWMXPQJS-CQSZACIVSA-N 1 3 285.388 -0.025 20 0 CBADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(N)=O ZINC000999832312 656656518 /nfs/dbraw/zinc/65/65/18/656656518.db2.gz DIFMCEJRCDHODE-VOMCLLRMSA-N 1 3 282.388 -0.465 20 0 CBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000908205559 656670523 /nfs/dbraw/zinc/67/05/23/656670523.db2.gz NLMJLKQMVJKQAL-ZFWWWQNUSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000908205559 656670533 /nfs/dbraw/zinc/67/05/33/656670533.db2.gz NLMJLKQMVJKQAL-ZFWWWQNUSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@@H](N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001000080419 656687823 /nfs/dbraw/zinc/68/78/23/656687823.db2.gz FHKWHHVXBKFSHT-YPMHNXCESA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000314954 656711051 /nfs/dbraw/zinc/71/10/51/656711051.db2.gz AMEPWBOLFAEITD-JTQLQIEISA-N 1 3 252.318 -0.475 20 0 CBADHO C[C@H](N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703009 656759932 /nfs/dbraw/zinc/75/99/32/656759932.db2.gz SVAGAEUNBZCGQF-RYUDHWBXSA-N 1 3 294.399 -0.463 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315554 656806163 /nfs/dbraw/zinc/80/61/63/656806163.db2.gz RMBHDRQCUBKCGP-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315554 656806165 /nfs/dbraw/zinc/80/61/65/656806165.db2.gz RMBHDRQCUBKCGP-CYBMUJFWSA-N 1 3 296.415 -0.344 20 0 CBADHO O=C(NC1CCN(CCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002828631 656841947 /nfs/dbraw/zinc/84/19/47/656841947.db2.gz KKZAQCLTYWZEQD-CQSZACIVSA-N 1 3 281.400 -0.099 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911211263 656987469 /nfs/dbraw/zinc/98/74/69/656987469.db2.gz UHCGRWIIIJWTOD-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911259212 657001195 /nfs/dbraw/zinc/00/11/95/657001195.db2.gz WAQYEPUKXVSDHG-NSHDSACASA-N 1 3 296.415 -0.170 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911337803 657022423 /nfs/dbraw/zinc/02/24/23/657022423.db2.gz WVLKSEJFWXIIFY-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911338113 657022918 /nfs/dbraw/zinc/02/29/18/657022918.db2.gz XXFLAMIDRATPJY-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911337085 657023334 /nfs/dbraw/zinc/02/33/34/657023334.db2.gz PVJVCYXILLFBGI-SNVBAGLBSA-N 1 3 268.361 -0.806 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486281 657054828 /nfs/dbraw/zinc/05/48/28/657054828.db2.gz ADCAEVOVRBDHSP-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503962 657057211 /nfs/dbraw/zinc/05/72/11/657057211.db2.gz RPBHSLPTYZSGSS-NSHDSACASA-N 1 3 282.388 -0.465 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000911504523 657058582 /nfs/dbraw/zinc/05/85/82/657058582.db2.gz ZXXBBYNBFVWYQQ-GFCCVEGCSA-N 1 3 294.399 -0.319 20 0 CBADHO CN1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CCC1(C)C ZINC000911507117 657061336 /nfs/dbraw/zinc/06/13/36/657061336.db2.gz WIIUDKVJSJEOJO-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911531988 657069386 /nfs/dbraw/zinc/06/93/86/657069386.db2.gz IFUMAPWVMICVJQ-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911534777 657069970 /nfs/dbraw/zinc/06/99/70/657069970.db2.gz XFRZVTATDRQXFK-UHFFFAOYSA-N 1 3 284.404 -0.358 20 0 CBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000911534621 657069705 /nfs/dbraw/zinc/06/97/05/657069705.db2.gz VPNHPXBXPNVRGX-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551440 657075817 /nfs/dbraw/zinc/07/58/17/657075817.db2.gz LRRJHPOSZUWBKZ-FVCCEPFGSA-N 1 3 294.399 -0.452 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911556751 657077188 /nfs/dbraw/zinc/07/71/88/657077188.db2.gz LRMWNRVAZPQBPT-AVGNSLFASA-N 1 3 296.415 -0.219 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911562019 657079421 /nfs/dbraw/zinc/07/94/21/657079421.db2.gz JHGGXJHNEWRRFD-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911564181 657080461 /nfs/dbraw/zinc/08/04/61/657080461.db2.gz XKNIAJJUGIBXIS-JOCQHMNTSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911828818 657142080 /nfs/dbraw/zinc/14/20/80/657142080.db2.gz DGTWHNCDDVJZBY-AAEUAGOBSA-N 1 3 256.394 -0.230 20 0 CBADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911877708 657152609 /nfs/dbraw/zinc/15/26/09/657152609.db2.gz CLRXRZOGVCOEQQ-SDDRHHMPSA-N 1 3 256.394 -0.149 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911880028 657154190 /nfs/dbraw/zinc/15/41/90/657154190.db2.gz JULJATJYIOAYPL-OPRDCNLKSA-N 1 3 261.391 -0.359 20 0 CBADHO COC(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000912303596 657228348 /nfs/dbraw/zinc/22/83/48/657228348.db2.gz LOWVCSJHLWWEMN-NSHDSACASA-N 1 3 273.377 -0.062 20 0 CBADHO COC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000912303596 657228358 /nfs/dbraw/zinc/22/83/58/657228358.db2.gz LOWVCSJHLWWEMN-NSHDSACASA-N 1 3 273.377 -0.062 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)C(C)(C)O ZINC000912302377 657228739 /nfs/dbraw/zinc/22/87/39/657228739.db2.gz BUPLWPYCLNKMDI-RYUDHWBXSA-N 1 3 289.420 -0.494 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)C(C)(C)O ZINC000912302377 657228750 /nfs/dbraw/zinc/22/87/50/657228750.db2.gz BUPLWPYCLNKMDI-RYUDHWBXSA-N 1 3 289.420 -0.494 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCCO)C2)CC1 ZINC001015654635 657504782 /nfs/dbraw/zinc/50/47/82/657504782.db2.gz BSUPXJIAQLOQHH-ZDUSSCGKSA-N 1 3 269.389 -0.099 20 0 CBADHO O=C(N[C@H]1CCN(CCCO)C1)C12CC[NH+](CC1)C2 ZINC001016003872 657630120 /nfs/dbraw/zinc/63/01/20/657630120.db2.gz QNIYKLZJYCAAMP-LBPRGKRZSA-N 1 3 267.373 -0.345 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000916332809 657770873 /nfs/dbraw/zinc/77/08/73/657770873.db2.gz ZKIGGXVOFBWXDG-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000916332809 657770878 /nfs/dbraw/zinc/77/08/78/657770878.db2.gz ZKIGGXVOFBWXDG-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO CN(C)CCCS(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916920659 657794415 /nfs/dbraw/zinc/79/44/15/657794415.db2.gz SRXYUCOBHJVUMI-UHFFFAOYSA-N 1 3 263.407 -0.050 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001018866120 657851231 /nfs/dbraw/zinc/85/12/31/657851231.db2.gz STKYATBMYVVNMG-OUAUKWLOSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001018866120 657851233 /nfs/dbraw/zinc/85/12/33/657851233.db2.gz STKYATBMYVVNMG-OUAUKWLOSA-N 1 3 268.361 -0.998 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)N(C)C ZINC001018999284 657858110 /nfs/dbraw/zinc/85/81/10/657858110.db2.gz MPALVSQHUSUERW-RYUDHWBXSA-N 1 3 257.378 -0.245 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189680 657869459 /nfs/dbraw/zinc/86/94/59/657869459.db2.gz YERQOJJCHWMYSG-GXTWGEPZSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001019241687 657875409 /nfs/dbraw/zinc/87/54/09/657875409.db2.gz UTRPUPJJVYBZKO-OUAUKWLOSA-N 1 3 268.361 -0.855 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019241577 657875823 /nfs/dbraw/zinc/87/58/23/657875823.db2.gz KVAPRZWVTHZNEK-QJPTWQEYSA-N 1 3 280.372 -0.840 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019261056 657876894 /nfs/dbraw/zinc/87/68/94/657876894.db2.gz GRWWAVIIZKDJGD-XQQFMLRXSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019381485 657891188 /nfs/dbraw/zinc/89/11/88/657891188.db2.gz KAPOTSCCTSQRFI-NEPJUHHUSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019382412 657891315 /nfs/dbraw/zinc/89/13/15/657891315.db2.gz ANMTZCPELHPEKJ-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019382412 657891319 /nfs/dbraw/zinc/89/13/19/657891319.db2.gz ANMTZCPELHPEKJ-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019381487 657891737 /nfs/dbraw/zinc/89/17/37/657891737.db2.gz KAPOTSCCTSQRFI-RYUDHWBXSA-N 1 3 255.362 -0.347 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001019397120 657893369 /nfs/dbraw/zinc/89/33/69/657893369.db2.gz JSSDKTBMGZOCKM-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1)N(C)C ZINC001019395015 657893600 /nfs/dbraw/zinc/89/36/00/657893600.db2.gz WNZGOMIFFLKNMF-WOPDTQHZSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001019593114 657919165 /nfs/dbraw/zinc/91/91/65/657919165.db2.gz JPCRBOJRFSQZFN-ZDUSSCGKSA-N 1 3 296.415 -0.217 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019774632 657938643 /nfs/dbraw/zinc/93/86/43/657938643.db2.gz BMQBVXGUWXCREH-ZDUSSCGKSA-N 1 3 292.387 -0.436 20 0 CBADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001020589071 658075906 /nfs/dbraw/zinc/07/59/06/658075906.db2.gz WFBQWJIXQBHJQS-BJDJZHNGSA-N 1 3 282.388 -0.561 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)C(N)=O ZINC001020587855 658076002 /nfs/dbraw/zinc/07/60/02/658076002.db2.gz XIXZKVLBCXZPQZ-CYDGBPFRSA-N 1 3 296.415 -0.029 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)C(N)=O ZINC001020587857 658076822 /nfs/dbraw/zinc/07/68/22/658076822.db2.gz XIXZKVLBCXZPQZ-LPWJVIDDSA-N 1 3 296.415 -0.029 20 0 CBADHO C[NH+](C)C1(CNC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000922982319 658117718 /nfs/dbraw/zinc/11/77/18/658117718.db2.gz AGBFORZCMUQXOG-NSHDSACASA-N 1 3 270.377 -0.554 20 0 CBADHO CCOCCOCCN(C)CCN1CC[NH2+]CC1 ZINC000923286598 658193888 /nfs/dbraw/zinc/19/38/88/658193888.db2.gz PFFAYEXZMZSDSE-UHFFFAOYSA-N 1 3 259.394 -0.124 20 0 CBADHO CC(C)CN(CC(N)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305685 658204827 /nfs/dbraw/zinc/20/48/27/658204827.db2.gz MQASVHBGQCWGLV-NSHDSACASA-N 1 3 255.362 -0.192 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000923321316 658209635 /nfs/dbraw/zinc/20/96/35/658209635.db2.gz FESUFZBDQAHSOI-CYDGBPFRSA-N 1 3 265.361 -0.159 20 0 CBADHO CCOC[C@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923347192 658223095 /nfs/dbraw/zinc/22/30/95/658223095.db2.gz ZORDHYROHYQCIK-QWHCGFSZSA-N 1 3 287.404 -0.297 20 0 CBADHO COC(=O)c1ccc(OC)c(CNC(CN)C[NH3+])c1 ZINC000923357225 658229241 /nfs/dbraw/zinc/22/92/41/658229241.db2.gz UWZKLADNJHKVBL-UHFFFAOYSA-N 1 3 267.329 -0.143 20 0 CBADHO CN(CCN1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370875 658239481 /nfs/dbraw/zinc/23/94/81/658239481.db2.gz YXBWVDNHISPOHM-CYBMUJFWSA-N 1 3 269.389 -0.371 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000923396173 658252671 /nfs/dbraw/zinc/25/26/71/658252671.db2.gz VSCCWHRVVNAGJN-VOAKCMCISA-N 1 3 267.373 -0.219 20 0 CBADHO CN1CC(=O)N(CC[NH2+][C@H]2C[C@H](N)C2(C)C)C1=O ZINC000923423048 658272996 /nfs/dbraw/zinc/27/29/96/658272996.db2.gz UVICJEKGIFXQBQ-IUCAKERBSA-N 1 3 254.334 -0.404 20 0 CBADHO NC[C@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923426438 658274173 /nfs/dbraw/zinc/27/41/73/658274173.db2.gz DRVRNLICTDMSKX-UPJWGTAASA-N 1 3 258.362 -0.034 20 0 CBADHO NC[C@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923426438 658274184 /nfs/dbraw/zinc/27/41/84/658274184.db2.gz DRVRNLICTDMSKX-UPJWGTAASA-N 1 3 258.362 -0.034 20 0 CBADHO COC[C@H](C)OC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515832 658309422 /nfs/dbraw/zinc/30/94/22/658309422.db2.gz NZXJDVSKTGEGLA-IGQOVBAYSA-N 1 3 272.389 -0.060 20 0 CBADHO O[C@@H]1C[NH2+]C[C@H]1N(Cc1ccccc1)C[C@@H]1CNCCO1 ZINC000923559717 658324129 /nfs/dbraw/zinc/32/41/29/658324129.db2.gz JTLBCJNOVQDPCY-ARFHVFGLSA-N 1 3 291.395 -0.190 20 0 CBADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)C1CNC1 ZINC000923577551 658336014 /nfs/dbraw/zinc/33/60/14/658336014.db2.gz SJBYKEQGBCKUPO-PBINXNQUSA-N 1 3 259.375 -0.368 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000923574664 658336538 /nfs/dbraw/zinc/33/65/38/658336538.db2.gz WIBLPUNXIHVFKA-UHFFFAOYSA-N 1 3 273.402 -0.248 20 0 CBADHO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923573637 658337483 /nfs/dbraw/zinc/33/74/83/658337483.db2.gz OYHQNVSASQDRBN-NSHDSACASA-N 1 3 298.412 -0.054 20 0 CBADHO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610713 658349933 /nfs/dbraw/zinc/34/99/33/658349933.db2.gz WAXRGBJHAAGKMS-VXGBXAGGSA-N 1 3 273.402 -0.153 20 0 CBADHO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923610713 658349942 /nfs/dbraw/zinc/34/99/42/658349942.db2.gz WAXRGBJHAAGKMS-VXGBXAGGSA-N 1 3 273.402 -0.153 20 0 CBADHO [NH3+][C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1c1cccc(F)c1 ZINC000923645313 658374095 /nfs/dbraw/zinc/37/40/95/658374095.db2.gz FVRAAEIAWNNXNV-QWHCGFSZSA-N 1 3 299.371 -0.146 20 0 CBADHO [NH3+]CCC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923651566 658375976 /nfs/dbraw/zinc/37/59/76/658375976.db2.gz HLXNCHDQROWKJM-UHFFFAOYSA-N 1 3 276.406 -0.803 20 0 CBADHO C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@H]1CC[NH3+] ZINC000923651088 658376471 /nfs/dbraw/zinc/37/64/71/658376471.db2.gz CWPOWZOAQFKXBN-RYUDHWBXSA-N 1 3 290.433 -0.414 20 0 CBADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1C[NH3+] ZINC000923704364 658408494 /nfs/dbraw/zinc/40/84/94/658408494.db2.gz RXGRQXODFXOJEF-MNOVXSKESA-N 1 3 276.406 -0.947 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000924439585 658598384 /nfs/dbraw/zinc/59/83/84/658598384.db2.gz OQZQASVAXCKMQL-SNVBAGLBSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485683 658606935 /nfs/dbraw/zinc/60/69/35/658606935.db2.gz MIPWFKBODKXKSM-ZYHUDNBSSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485683 658606939 /nfs/dbraw/zinc/60/69/39/658606939.db2.gz MIPWFKBODKXKSM-ZYHUDNBSSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924485681 658607342 /nfs/dbraw/zinc/60/73/42/658607342.db2.gz MIPWFKBODKXKSM-PWSUYJOCSA-N 1 3 280.372 -0.047 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924485681 658607362 /nfs/dbraw/zinc/60/73/62/658607362.db2.gz MIPWFKBODKXKSM-PWSUYJOCSA-N 1 3 280.372 -0.047 20 0 CBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000924990488 658702540 /nfs/dbraw/zinc/70/25/40/658702540.db2.gz GVTKARSVFGUOBK-BZPMIXESSA-N 1 3 285.388 -0.986 20 0 CBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000924990488 658702560 /nfs/dbraw/zinc/70/25/60/658702560.db2.gz GVTKARSVFGUOBK-BZPMIXESSA-N 1 3 285.388 -0.986 20 0 CBADHO CN1CCC(O)(C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000925117380 658806523 /nfs/dbraw/zinc/80/65/23/658806523.db2.gz OGXUQMOFTDCATP-SNVBAGLBSA-N 1 3 255.362 -0.443 20 0 CBADHO CCO[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)C[NH+](C)C ZINC000925235618 658812645 /nfs/dbraw/zinc/81/26/45/658812645.db2.gz MTAQHEVJRLXLJX-GHMZBOCLSA-N 1 3 286.376 -0.565 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@@H](O)CN2C)CC[N@@H+]1C ZINC000925357666 658835587 /nfs/dbraw/zinc/83/55/87/658835587.db2.gz WYNRNWIAUNISPY-WRWGMCAJSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[C@@H](O)CN2C)CC[N@H+]1C ZINC000925357666 658835589 /nfs/dbraw/zinc/83/55/89/658835589.db2.gz WYNRNWIAUNISPY-WRWGMCAJSA-N 1 3 270.377 -0.557 20 0 CBADHO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000925411534 658839721 /nfs/dbraw/zinc/83/97/21/658839721.db2.gz ZKWVRWNRTCPCKZ-GFCCVEGCSA-N 1 3 284.404 -0.211 20 0 CBADHO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000925411534 658839727 /nfs/dbraw/zinc/83/97/27/658839727.db2.gz ZKWVRWNRTCPCKZ-GFCCVEGCSA-N 1 3 284.404 -0.211 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000925425208 658847744 /nfs/dbraw/zinc/84/77/44/658847744.db2.gz NEQALLRGFIFAFE-RWMBFGLXSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000925425208 658847745 /nfs/dbraw/zinc/84/77/45/658847745.db2.gz NEQALLRGFIFAFE-RWMBFGLXSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H](CN[C@@H]1C[NH2+]CCOC1)N1CCN(C)CC1 ZINC000925496363 658856349 /nfs/dbraw/zinc/85/63/49/658856349.db2.gz QSBJAWDWVXICTJ-QWHCGFSZSA-N 1 3 256.394 -0.800 20 0 CBADHO CNC(=O)CN1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925537558 658858580 /nfs/dbraw/zinc/85/85/80/658858580.db2.gz LSYKMXQRTUQIDL-LBPRGKRZSA-N 1 3 268.405 -0.073 20 0 CBADHO CCOC(=O)[C@@H]1NCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817429 658873054 /nfs/dbraw/zinc/87/30/54/658873054.db2.gz SDMGHVZGCUCRSX-CHWSQXEVSA-N 1 3 284.404 -0.707 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926292809 658890231 /nfs/dbraw/zinc/89/02/31/658890231.db2.gz GWENSYIQKAYHKF-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000969564575 659003485 /nfs/dbraw/zinc/00/34/85/659003485.db2.gz WOIAGJDDODPAON-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC000969588814 659005791 /nfs/dbraw/zinc/00/57/91/659005791.db2.gz UTRPUPJJVYBZKO-GMTAPVOTSA-N 1 3 268.361 -0.855 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)C(N)=O 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CBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355476 659502683 /nfs/dbraw/zinc/50/26/83/659502683.db2.gz GPAHVJAZDKBYKG-WDEREUQCSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCCC1 ZINC000987525980 659510027 /nfs/dbraw/zinc/51/00/27/659510027.db2.gz PTKVLMXVDUPBPH-GHMZBOCLSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987570095 659511759 /nfs/dbraw/zinc/51/17/59/659511759.db2.gz KHWSJEIOBIPIOS-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829706 659616326 /nfs/dbraw/zinc/61/63/26/659616326.db2.gz VGSWWFXJDQEHCO-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000990275944 659710903 /nfs/dbraw/zinc/71/09/03/659710903.db2.gz FNYUMRKERIDVJK-OLZOCXBDSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1C[C@@H]2C[N@H+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000933733343 659735598 /nfs/dbraw/zinc/73/55/98/659735598.db2.gz 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-0.086 20 0 CBADHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCO)C1 ZINC001046777047 801793362 /nfs/dbraw/zinc/79/33/62/801793362.db2.gz PLUJGMMRMKWJAP-CYBMUJFWSA-N 1 3 267.373 -0.345 20 0 CBADHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCO)C1 ZINC001046777048 801793547 /nfs/dbraw/zinc/79/35/47/801793547.db2.gz PLUJGMMRMKWJAP-ZDUSSCGKSA-N 1 3 267.373 -0.345 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047383751 801857786 /nfs/dbraw/zinc/85/77/86/801857786.db2.gz ORPZMHDABRUMRM-RDBSUJKOSA-N 1 3 281.400 -0.148 20 0 CBADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047629157 801914066 /nfs/dbraw/zinc/91/40/66/801914066.db2.gz RZFSNMCABFFTGS-AVGNSLFASA-N 1 3 269.389 -0.150 20 0 CBADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047629157 801914067 /nfs/dbraw/zinc/91/40/67/801914067.db2.gz RZFSNMCABFFTGS-AVGNSLFASA-N 1 3 269.389 -0.150 20 0 CBADHO COCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082177 801998823 /nfs/dbraw/zinc/99/88/23/801998823.db2.gz FLYHAQMAFWGZEP-TXEJJXNPSA-N 1 3 278.356 -0.011 20 0 CBADHO COCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082177 801998824 /nfs/dbraw/zinc/99/88/24/801998824.db2.gz FLYHAQMAFWGZEP-TXEJJXNPSA-N 1 3 278.356 -0.011 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001054296981 802333522 /nfs/dbraw/zinc/33/35/22/802333522.db2.gz ZVMHWDAPSPBQDS-JHJVBQTASA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001054968566 802382440 /nfs/dbraw/zinc/38/24/40/802382440.db2.gz KCZDILWIFHEBSW-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148210739 814934536 /nfs/dbraw/zinc/93/45/36/814934536.db2.gz UGNVJDLOZWAVPU-UHFFFAOYSA-N 1 3 299.415 -0.519 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC001117978263 812461282 /nfs/dbraw/zinc/46/12/82/812461282.db2.gz HQGNMFULYMAOCY-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO COCC[NH2+]CCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001121930822 813091981 /nfs/dbraw/zinc/09/19/81/813091981.db2.gz UVYLZJCVJWPBSW-JTQLQIEISA-N 1 3 281.360 -0.358 20 0 CBADHO C[C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)[C@@H]1CC[NH3+] ZINC001122126607 813121612 /nfs/dbraw/zinc/12/16/12/813121612.db2.gz JEUGHKZRKLRRPI-JHJVBQTASA-N 1 3 268.405 -0.134 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294722 814237030 /nfs/dbraw/zinc/23/70/30/814237030.db2.gz QOVMZNQRISCQBC-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001133291012 814237527 /nfs/dbraw/zinc/23/75/27/814237527.db2.gz HSQVTYHJKPGWBV-JTQLQIEISA-N 1 3 258.366 -0.879 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001133294390 814238229 /nfs/dbraw/zinc/23/82/29/814238229.db2.gz HBVVTCUJCRJFDG-UHFFFAOYSA-N 1 3 270.377 -0.830 20 0 CBADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294275 814238525 /nfs/dbraw/zinc/23/85/25/814238525.db2.gz AMLHNXCIZUKFDD-NWDGAFQWSA-N 1 3 286.420 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001133345369 814246075 /nfs/dbraw/zinc/24/60/75/814246075.db2.gz BFMAEMXEOUSFCU-STQMWFEESA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001133345368 814246172 /nfs/dbraw/zinc/24/61/72/814246172.db2.gz BFMAEMXEOUSFCU-QWHCGFSZSA-N 1 3 298.431 -0.114 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415704 814250561 /nfs/dbraw/zinc/25/05/61/814250561.db2.gz KWNNVCPYJWEQRH-CYBMUJFWSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001133983046 814332600 /nfs/dbraw/zinc/33/26/00/814332600.db2.gz WMADJUSAAKSSMS-ZDUSSCGKSA-N 1 3 294.399 -0.069 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360466 814939784 /nfs/dbraw/zinc/93/97/84/814939784.db2.gz VONOZOZPKVVPSY-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360519 814940079 /nfs/dbraw/zinc/94/00/79/814940079.db2.gz WKBOEPSUAMSAGT-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148352104 814940208 /nfs/dbraw/zinc/94/02/08/814940208.db2.gz AOSMEWKANDQCLW-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CC[C@H](NCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148365205 814940915 /nfs/dbraw/zinc/94/09/15/814940915.db2.gz LBAQVBIWTNGFAA-NSHDSACASA-N 1 3 272.393 -0.312 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC1CC1 ZINC001148570787 814950489 /nfs/dbraw/zinc/95/04/89/814950489.db2.gz LZEDGRZXLIPRNQ-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC1CC1 ZINC001148570787 814950491 /nfs/dbraw/zinc/95/04/91/814950491.db2.gz LZEDGRZXLIPRNQ-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCC ZINC001148570372 814950873 /nfs/dbraw/zinc/95/08/73/814950873.db2.gz BVDSOCAQOGWDPM-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC ZINC001148570372 814950879 /nfs/dbraw/zinc/95/08/79/814950879.db2.gz BVDSOCAQOGWDPM-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321740315 803808989 /nfs/dbraw/zinc/80/89/89/803808989.db2.gz VZYOVSYPXAZQTQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321740315 803808998 /nfs/dbraw/zinc/80/89/98/803808998.db2.gz VZYOVSYPXAZQTQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001322698763 803929451 /nfs/dbraw/zinc/92/94/51/803929451.db2.gz BPTCEWPKHOGODU-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150241152 815022272 /nfs/dbraw/zinc/02/22/72/815022272.db2.gz MMIJUOJONDZGAY-GFCCVEGCSA-N 1 3 273.377 -0.863 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150547554 815034919 /nfs/dbraw/zinc/03/49/19/815034919.db2.gz VUNVNPTYXVZWFY-ZDUSSCGKSA-N 1 3 287.404 -0.472 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150547554 815034926 /nfs/dbraw/zinc/03/49/26/815034926.db2.gz VUNVNPTYXVZWFY-ZDUSSCGKSA-N 1 3 287.404 -0.472 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001151043648 815051536 /nfs/dbraw/zinc/05/15/36/815051536.db2.gz INHUJOXVAOSKQX-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001151043648 815051542 /nfs/dbraw/zinc/05/15/42/815051542.db2.gz INHUJOXVAOSKQX-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048581 815051594 /nfs/dbraw/zinc/05/15/94/815051594.db2.gz CBZQQIIIUOCYMD-LLVKDONJSA-N 1 3 270.377 -0.832 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048581 815051601 /nfs/dbraw/zinc/05/16/01/815051601.db2.gz CBZQQIIIUOCYMD-LLVKDONJSA-N 1 3 270.377 -0.832 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001151043647 815052777 /nfs/dbraw/zinc/05/27/77/815052777.db2.gz INHUJOXVAOSKQX-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)C1 ZINC001151043647 815052781 /nfs/dbraw/zinc/05/27/81/815052781.db2.gz INHUJOXVAOSKQX-LLVKDONJSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049199 815053468 /nfs/dbraw/zinc/05/34/68/815053468.db2.gz JYMLRKZKTHSJOV-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049199 815053474 /nfs/dbraw/zinc/05/34/74/815053474.db2.gz JYMLRKZKTHSJOV-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064649 815053860 /nfs/dbraw/zinc/05/38/60/815053860.db2.gz CNYZYWSBIWBBSZ-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064649 815053868 /nfs/dbraw/zinc/05/38/68/815053868.db2.gz CNYZYWSBIWBBSZ-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001151049593 815054864 /nfs/dbraw/zinc/05/48/64/815054864.db2.gz SVZCOBLNMBABTO-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001151049593 815054870 /nfs/dbraw/zinc/05/48/70/815054870.db2.gz SVZCOBLNMBABTO-LBPRGKRZSA-N 1 3 296.415 -0.297 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151066155 815057248 /nfs/dbraw/zinc/05/72/48/815057248.db2.gz RBQQVDHDBHKDIP-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151066155 815057255 /nfs/dbraw/zinc/05/72/55/815057255.db2.gz RBQQVDHDBHKDIP-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073018415 805356147 /nfs/dbraw/zinc/35/61/47/805356147.db2.gz ALRXEYVDNUTLKR-NSHDSACASA-N 1 3 278.356 -0.133 20 0 CBADHO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073018415 805356157 /nfs/dbraw/zinc/35/61/57/805356157.db2.gz ALRXEYVDNUTLKR-NSHDSACASA-N 1 3 278.356 -0.133 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074648828 805464006 /nfs/dbraw/zinc/46/40/06/805464006.db2.gz JKYPTPQKMBUTFH-AVGNSLFASA-N 1 3 296.415 -0.077 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074648828 805464009 /nfs/dbraw/zinc/46/40/09/805464009.db2.gz JKYPTPQKMBUTFH-AVGNSLFASA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074655025 805464249 /nfs/dbraw/zinc/46/42/49/805464249.db2.gz RUQWJHNXORVZOZ-UHTWSYAYSA-N 1 3 294.399 -0.608 20 0 CBADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(N)=O ZINC001074803949 805473376 /nfs/dbraw/zinc/47/33/76/805473376.db2.gz WXPHQLXXRWWOFS-ZDEQEGDKSA-N 1 3 296.415 -0.077 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074877503 805476047 /nfs/dbraw/zinc/47/60/47/805476047.db2.gz CDPRDGGMUKKALH-WOPDTQHZSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074877503 805476051 /nfs/dbraw/zinc/47/60/51/805476051.db2.gz CDPRDGGMUKKALH-WOPDTQHZSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074877503 805476054 /nfs/dbraw/zinc/47/60/54/805476054.db2.gz CDPRDGGMUKKALH-WOPDTQHZSA-N 1 3 282.388 -0.465 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2nncn2c1 ZINC001151675636 815085893 /nfs/dbraw/zinc/08/58/93/815085893.db2.gz LFDARGGUPWBJDI-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1[nH]nc2c1COCC2 ZINC001152011720 815100398 /nfs/dbraw/zinc/10/03/98/815100398.db2.gz KXRPGPIIQLYPAR-UHFFFAOYSA-N 1 3 280.332 -0.443 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001152445566 815122765 /nfs/dbraw/zinc/12/27/65/815122765.db2.gz JHQREJSVJCFCTJ-ZDUSSCGKSA-N 1 3 297.403 -0.710 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152452098 815123189 /nfs/dbraw/zinc/12/31/89/815123189.db2.gz SDTIMZWZVIUPSP-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001152458019 815124366 /nfs/dbraw/zinc/12/43/66/815124366.db2.gz KTYIVQPKKDLNTB-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152458169 815124698 /nfs/dbraw/zinc/12/46/98/815124698.db2.gz MBQZGDMAJKKKTE-CYBMUJFWSA-N 1 3 294.403 -0.142 20 0 CBADHO C[NH+](C)C[C@@H]1COCCN1c1cc2c(nn1)CCNC2 ZINC001154976645 815255041 /nfs/dbraw/zinc/25/50/41/815255041.db2.gz JNXQVTGWSFDNJE-GFCCVEGCSA-N 1 3 277.372 -0.111 20 0 CBADHO COC(=O)[C@@H](Nc1cc2c(nn1)CCNC2)C(C)(C)[NH3+] ZINC001155369615 815279214 /nfs/dbraw/zinc/27/92/14/815279214.db2.gz YTGJXAJVGLABDK-LLVKDONJSA-N 1 3 279.344 -0.187 20 0 CBADHO NCc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncn1 ZINC001155522983 815290358 /nfs/dbraw/zinc/29/03/58/815290358.db2.gz LSNBEQHSSSZREZ-YUSALJHKSA-N 1 3 263.345 -0.028 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791552 815312601 /nfs/dbraw/zinc/31/26/01/815312601.db2.gz WNOPZONICGXSOF-GFCCVEGCSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558889 810280216 /nfs/dbraw/zinc/28/02/16/810280216.db2.gz ZDHLEDKXORRMJG-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001087261904 810291533 /nfs/dbraw/zinc/29/15/33/810291533.db2.gz GDLGGFRXELLFKX-JTQLQIEISA-N 1 3 293.371 -0.140 20 0 CBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001087261904 810291536 /nfs/dbraw/zinc/29/15/36/810291536.db2.gz GDLGGFRXELLFKX-JTQLQIEISA-N 1 3 293.371 -0.140 20 0 CBADHO COCCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536532 810518125 /nfs/dbraw/zinc/51/81/25/810518125.db2.gz FVRPQQCQOFIKMR-UONOGXRCSA-N 1 3 299.415 -0.474 20 0 CBADHO O=C(N[C@@H]1CCN(CCCF)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090729918 810559822 /nfs/dbraw/zinc/55/98/22/810559822.db2.gz CFRIIQJDTDORSA-OLZOCXBDSA-N 1 3 299.390 -0.007 20 0 CBADHO [NH3+]CCc1nnn(-c2cc(Cl)nc3c2CCNC3)n1 ZINC001156989470 815396658 /nfs/dbraw/zinc/39/66/58/815396658.db2.gz YALQTJCTDLTIII-UHFFFAOYSA-N 1 3 279.735 -0.142 20 0 CBADHO COC(=O)c1ccc(NC(=N)NCCCC[NH3+])nn1 ZINC001157093862 815404338 /nfs/dbraw/zinc/40/43/38/815404338.db2.gz GELTUAYZCDDAJH-UHFFFAOYSA-N 1 3 266.305 -0.062 20 0 CBADHO CNC(=O)c1ccc(NC(=N)NCCCC[NH3+])nn1 ZINC001157099986 815405182 /nfs/dbraw/zinc/40/51/82/815405182.db2.gz VKPATQNVVMFSMC-UHFFFAOYSA-N 1 3 265.321 -0.489 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874187 810959276 /nfs/dbraw/zinc/95/92/76/810959276.db2.gz HIJMWXJTNWCECQ-STQMWFEESA-N 1 3 299.415 -0.596 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001099874187 810959283 /nfs/dbraw/zinc/95/92/83/810959283.db2.gz HIJMWXJTNWCECQ-STQMWFEESA-N 1 3 299.415 -0.596 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001099898425 810961652 /nfs/dbraw/zinc/96/16/52/810961652.db2.gz BGNJIANNVCMGFU-NEPJUHHUSA-N 1 3 287.404 -0.740 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001099898425 810961655 /nfs/dbraw/zinc/96/16/55/810961655.db2.gz BGNJIANNVCMGFU-NEPJUHHUSA-N 1 3 287.404 -0.740 20 0 CBADHO CCOCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988247 810985981 /nfs/dbraw/zinc/98/59/81/810985981.db2.gz FTHDRPVOIAXHII-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076525 811014720 /nfs/dbraw/zinc/01/47/20/811014720.db2.gz MQDZTXUPVRSLRD-NEPJUHHUSA-N 1 3 273.377 -0.864 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC)C[C@@H]1O ZINC001100082432 811018122 /nfs/dbraw/zinc/01/81/22/811018122.db2.gz BQPXPGREPCRVAY-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001100082432 811018127 /nfs/dbraw/zinc/01/81/27/811018127.db2.gz BQPXPGREPCRVAY-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100080959 811019116 /nfs/dbraw/zinc/01/91/16/811019116.db2.gz OEQZRSULCYZNJU-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100080959 811019129 /nfs/dbraw/zinc/01/91/29/811019129.db2.gz OEQZRSULCYZNJU-STQMWFEESA-N 1 3 287.404 -0.738 20 0 CBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001100442851 811057605 /nfs/dbraw/zinc/05/76/05/811057605.db2.gz ZIPXCGBXTMSNDK-VQXHTEKXSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001100678768 811071528 /nfs/dbraw/zinc/07/15/28/811071528.db2.gz WBIZXHLRGAQSLO-UNXYVOJBSA-N 1 3 282.388 -0.702 20 0 CBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001100683871 811072637 /nfs/dbraw/zinc/07/26/37/811072637.db2.gz WDAPDYAVGCFWAD-BPCQOVAHSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100769323 811077454 /nfs/dbraw/zinc/07/74/54/811077454.db2.gz DMFAUNBBCAYPTG-WXRRBKDZSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100901959 811084537 /nfs/dbraw/zinc/08/45/37/811084537.db2.gz XNLUCVPOWUWNEY-UHFFFAOYSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100901855 811084579 /nfs/dbraw/zinc/08/45/79/811084579.db2.gz RGVAGALFESKNQQ-UNXYVOJBSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001101035889 811090621 /nfs/dbraw/zinc/09/06/21/811090621.db2.gz DBBLJZPRCPTCLX-VOMCLLRMSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001101035888 811090819 /nfs/dbraw/zinc/09/08/19/811090819.db2.gz DBBLJZPRCPTCLX-UNXYVOJBSA-N 1 3 284.404 -0.315 20 0 CBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNC[C@@H](F)C1 ZINC001157322965 815423630 /nfs/dbraw/zinc/42/36/30/815423630.db2.gz GMURXKPFPUVNFS-VWYCJHECSA-N 1 3 288.367 -0.706 20 0 CBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318600 811152357 /nfs/dbraw/zinc/15/23/57/811152357.db2.gz AKMJCQBWGAPUEM-CHWSQXEVSA-N 1 3 298.431 -0.290 20 0 CBADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320483 811153433 /nfs/dbraw/zinc/15/34/33/811153433.db2.gz DXPDUMBOJFUZSF-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)N(C)C ZINC001103140355 811176254 /nfs/dbraw/zinc/17/62/54/811176254.db2.gz ZZGSFFLBOQJOSR-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N(C)C ZINC001103140355 811176264 /nfs/dbraw/zinc/17/62/64/811176264.db2.gz ZZGSFFLBOQJOSR-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001157425049 815432828 /nfs/dbraw/zinc/43/28/28/815432828.db2.gz YVYMIWMUBMVILW-ZMLRMANQSA-N 1 3 255.362 -0.003 20 0 CBADHO Cc1cc(N(C(=N)N)C(=O)[C@@H](N)C2CC[NH2+]CC2)n[nH]1 ZINC001157439698 815434262 /nfs/dbraw/zinc/43/42/62/815434262.db2.gz MIYOOOYFIMKEMD-JTQLQIEISA-N 1 3 279.348 -0.729 20 0 CBADHO COCC1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157520968 815441032 /nfs/dbraw/zinc/44/10/32/815441032.db2.gz BVTZHBMHMYVZGC-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO COCC1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157520968 815441037 /nfs/dbraw/zinc/44/10/37/815441037.db2.gz BVTZHBMHMYVZGC-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(N2CC(F)C2)C1 ZINC001157529095 815442037 /nfs/dbraw/zinc/44/20/37/815442037.db2.gz XFJDYZZENALKQF-CYBMUJFWSA-N 1 3 296.390 -0.275 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(N2CC(F)C2)C1 ZINC001157529095 815442040 /nfs/dbraw/zinc/44/20/40/815442040.db2.gz XFJDYZZENALKQF-CYBMUJFWSA-N 1 3 296.390 -0.275 20 0 CBADHO N[C@H]1CN(C(=O)C[C@@H]([NH3+])Cc2ccncc2)C[C@H]1F ZINC001157529945 815442468 /nfs/dbraw/zinc/44/24/68/815442468.db2.gz BXSUQKIHNXDSFY-TUAOUCFPSA-N 1 3 266.320 -0.151 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1F ZINC001157536268 815442910 /nfs/dbraw/zinc/44/29/10/815442910.db2.gz KEDXCKAMCKTIDO-RNJXMRFFSA-N 1 3 251.252 -0.261 20 0 CBADHO CO[C@H]([C@@H](C)C(=O)N1C[C@@H](F)[C@@H](N)C1)[C@@H]1CCC[NH2+]1 ZINC001157537626 815443858 /nfs/dbraw/zinc/44/38/58/815443858.db2.gz CJIGUTKJOWOSTN-LDMBFOFVSA-N 1 3 273.352 -0.103 20 0 CBADHO N[C@H]1CN(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC001157547666 815445134 /nfs/dbraw/zinc/44/51/34/815445134.db2.gz AAMCBUHGMBRCCM-JLLWLGSASA-N 1 3 294.330 -0.057 20 0 CBADHO N[C@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C[C@H]1F ZINC001157548419 815445184 /nfs/dbraw/zinc/44/51/84/815445184.db2.gz PDUXBNVVGIODOU-BDAKNGLRSA-N 1 3 299.375 -0.326 20 0 CBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC(C)([NH3+])C1 ZINC001157652194 815450719 /nfs/dbraw/zinc/45/07/19/815450719.db2.gz ZQZSMWFTWNMRBT-JTQLQIEISA-N 1 3 256.350 -0.820 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCCO1 ZINC001157702893 815454182 /nfs/dbraw/zinc/45/41/82/815454182.db2.gz FUHFRIMGPSYCCN-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCCO1 ZINC001157702894 815454656 /nfs/dbraw/zinc/45/46/56/815454656.db2.gz FUHFRIMGPSYCCN-ZYHUDNBSSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001157715885 815455612 /nfs/dbraw/zinc/45/56/12/815455612.db2.gz KMTKHMKHWDKONF-GZMMTYOYSA-N 1 3 261.297 -0.834 20 0 CBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981406 811535421 /nfs/dbraw/zinc/53/54/21/811535421.db2.gz ONNRMSFXUCEJON-SYQHCUMBSA-N 1 3 299.415 -0.333 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@@H]2CNCCO2)C1 ZINC001157716677 815455657 /nfs/dbraw/zinc/45/56/57/815455657.db2.gz QNIAYXNNILVNPL-WOPDTQHZSA-N 1 3 255.362 -0.179 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2cncnc2C1 ZINC001157708019 815455715 /nfs/dbraw/zinc/45/57/15/815455715.db2.gz FUMKDVJFWNUSPI-JTQLQIEISA-N 1 3 259.313 -0.872 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157720254 815456500 /nfs/dbraw/zinc/45/65/00/815456500.db2.gz DPDAIGOVZPPLDU-OLZOCXBDSA-N 1 3 298.431 -0.495 20 0 CBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1 ZINC001157720254 815456503 /nfs/dbraw/zinc/45/65/03/815456503.db2.gz DPDAIGOVZPPLDU-OLZOCXBDSA-N 1 3 298.431 -0.495 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001157717010 815456848 /nfs/dbraw/zinc/45/68/48/815456848.db2.gz WCMKOTWKBZEPMI-ZWNOBZJWSA-N 1 3 287.335 -0.573 20 0 CBADHO O=C(N1CCC[C@@H](F)C(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157730021 815458653 /nfs/dbraw/zinc/45/86/53/815458653.db2.gz GVCKSWKABBKICD-JTNHKYCSSA-N 1 3 283.347 -0.285 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157730816 815459008 /nfs/dbraw/zinc/45/90/08/815459008.db2.gz PLCHXSABUUALTN-YPMHNXCESA-N 1 3 283.351 -0.041 20 0 CBADHO N[C@H](C(=O)N1C[C@H](F)C[C@@H](CO)C1)C1CC[NH2+]CC1 ZINC001157730940 815459412 /nfs/dbraw/zinc/45/94/12/815459412.db2.gz PWEIEUJTLCOBPS-JLLWLGSASA-N 1 3 273.352 -0.508 20 0 CBADHO [NH3+]C[C@]1(F)CCN(c2cc3c(nn2)CCNC3)C1 ZINC001157816791 815469523 /nfs/dbraw/zinc/46/95/23/815469523.db2.gz GWEVLWLCAQHCMN-GFCCVEGCSA-N 1 3 251.309 -0.001 20 0 CBADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157844303 815471230 /nfs/dbraw/zinc/47/12/30/815471230.db2.gz VWXOMMRBBJAHRM-NHCYSSNCSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157844303 815471233 /nfs/dbraw/zinc/47/12/33/815471233.db2.gz VWXOMMRBBJAHRM-NHCYSSNCSA-N 1 3 265.361 -0.135 20 0 CBADHO C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001157853598 815471650 /nfs/dbraw/zinc/47/16/50/815471650.db2.gz HRFHDOAFKLCNGX-DCAQKATOSA-N 1 3 253.346 -0.975 20 0 CBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CCC1 ZINC001114414429 811747432 /nfs/dbraw/zinc/74/74/32/811747432.db2.gz TXUMHKHBBOGMCD-NHAGDIPZSA-N 1 3 281.400 -0.101 20 0 CBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CCC1 ZINC001114414429 811747435 /nfs/dbraw/zinc/74/74/35/811747435.db2.gz TXUMHKHBBOGMCD-NHAGDIPZSA-N 1 3 281.400 -0.101 20 0 CBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CCC1 ZINC001114414175 811747659 /nfs/dbraw/zinc/74/76/59/811747659.db2.gz NXHVLBJDDWGTHM-IMRBUKKESA-N 1 3 267.373 -0.491 20 0 CBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CCC1 ZINC001114414175 811747666 /nfs/dbraw/zinc/74/76/66/811747666.db2.gz NXHVLBJDDWGTHM-IMRBUKKESA-N 1 3 267.373 -0.491 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114422372 811748085 /nfs/dbraw/zinc/74/80/85/811748085.db2.gz ADOVFYCWXBPSCD-RMRHIDDWSA-N 1 3 281.400 -0.101 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114422372 811748090 /nfs/dbraw/zinc/74/80/90/811748090.db2.gz ADOVFYCWXBPSCD-RMRHIDDWSA-N 1 3 281.400 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001114463563 811750108 /nfs/dbraw/zinc/75/01/08/811750108.db2.gz JUVFAJCFWBFBLH-ODXJTPSBSA-N 1 3 299.415 -0.620 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001114463563 811750114 /nfs/dbraw/zinc/75/01/14/811750114.db2.gz JUVFAJCFWBFBLH-ODXJTPSBSA-N 1 3 299.415 -0.620 20 0 CBADHO N[C@@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)C1CC[NH2+]CC1 ZINC001157855628 815473123 /nfs/dbraw/zinc/47/31/23/815473123.db2.gz OLBHRDCAFYIWFZ-GMTAPVOTSA-N 1 3 259.325 -0.755 20 0 CBADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157854471 815473230 /nfs/dbraw/zinc/47/32/30/815473230.db2.gz FCRRPJPBWFXVAD-WOPDTQHZSA-N 1 3 267.373 -0.585 20 0 CBADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157856966 815474647 /nfs/dbraw/zinc/47/46/47/815474647.db2.gz YEJWMNJNSXPETI-VWYCJHECSA-N 1 3 275.418 -0.375 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157878291 815476859 /nfs/dbraw/zinc/47/68/59/815476859.db2.gz YUCFKRRLGKBRMN-HRDYMLBCSA-N 1 3 283.294 -0.318 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@](C)(CO)C1 ZINC001157925596 815483193 /nfs/dbraw/zinc/48/31/93/815483193.db2.gz MQBHYDPNLNUZHV-RISCZKNCSA-N 1 3 281.400 -0.195 20 0 CBADHO C[C@@]1(CO)CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]1O ZINC001157947130 815491148 /nfs/dbraw/zinc/49/11/48/815491148.db2.gz QRJJHENGMLVWLL-LOWVWBTDSA-N 1 3 273.377 -0.966 20 0 CBADHO [NH3+][C@@H]1CN[C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)C1 ZINC001157969112 815493021 /nfs/dbraw/zinc/49/30/21/815493021.db2.gz LTEGSSFEPHAMNQ-MELADBBJSA-N 1 3 274.368 -0.151 20 0 CBADHO N[C@@H]1C[NH2+][C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)C1 ZINC001157969112 815493026 /nfs/dbraw/zinc/49/30/26/815493026.db2.gz LTEGSSFEPHAMNQ-MELADBBJSA-N 1 3 274.368 -0.151 20 0 CBADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1O ZINC001157946481 815490823 /nfs/dbraw/zinc/49/08/23/815490823.db2.gz NNLYVDNRVBIWAI-GMXVVIOVSA-N 1 3 273.377 -0.966 20 0 CBADHO Cc1nc(CCN(C)C(=O)[C@H](N)C2CC[NH2+]CC2)no1 ZINC001157984377 815494717 /nfs/dbraw/zinc/49/47/17/815494717.db2.gz ZYXSMQMEWPQZKO-GFCCVEGCSA-N 1 3 281.360 -0.294 20 0 CBADHO C[C@]1(O)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157997454 815496183 /nfs/dbraw/zinc/49/61/83/815496183.db2.gz OLERDBUAUUOCDT-YPMHNXCESA-N 1 3 267.373 -0.156 20 0 CBADHO C[C@]1(O)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157997454 815496185 /nfs/dbraw/zinc/49/61/85/815496185.db2.gz OLERDBUAUUOCDT-YPMHNXCESA-N 1 3 267.373 -0.156 20 0 CBADHO NC(C(=O)N1CCOC2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001158076601 815501317 /nfs/dbraw/zinc/50/13/17/815501317.db2.gz LHKHXTUAHKFOME-QMMMGPOBSA-N 1 3 281.278 -0.143 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111667 815504938 /nfs/dbraw/zinc/50/49/38/815504938.db2.gz PZGXYXQOGGUODK-OLZOCXBDSA-N 1 3 293.411 -0.194 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1ncnc2c1CCNC2 ZINC001158129392 815505959 /nfs/dbraw/zinc/50/59/59/815505959.db2.gz UEXVLRQBYZZVMV-UHFFFAOYSA-N 1 3 259.317 -0.487 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199318 815512839 /nfs/dbraw/zinc/51/28/39/815512839.db2.gz TYFGBYQBESGNJX-LPEHRKFASA-N 1 3 255.318 -0.770 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115303724 812190668 /nfs/dbraw/zinc/19/06/68/812190668.db2.gz IRAQJQICNYOHDG-KZVDOYCCSA-N 1 3 294.399 -0.739 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115303724 812190675 /nfs/dbraw/zinc/19/06/75/812190675.db2.gz IRAQJQICNYOHDG-KZVDOYCCSA-N 1 3 294.399 -0.739 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185740 815510299 /nfs/dbraw/zinc/51/02/99/815510299.db2.gz BXNQNQUNSCBYAD-QDYJBQRPSA-N 1 3 263.345 -0.760 20 0 CBADHO C[C@@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262585 815517784 /nfs/dbraw/zinc/51/77/84/815517784.db2.gz TWWFFKCSNAGEDB-SECBINFHSA-N 1 3 264.333 -0.954 20 0 CBADHO C[C@@H]1C[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117084375 812363275 /nfs/dbraw/zinc/36/32/75/812363275.db2.gz MMLBUXACTKYUJU-OLZOCXBDSA-N 1 3 298.431 -0.290 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158414265 815526473 /nfs/dbraw/zinc/52/64/73/815526473.db2.gz FFIQJUOCQSIZSK-SDDRHHMPSA-N 1 3 263.345 -0.747 20 0 CBADHO N[C@@H](C(=O)N1CC[C@@H]2CCO[C@H]2C1)C1CC[NH2+]CC1 ZINC001158339371 815521639 /nfs/dbraw/zinc/52/16/39/815521639.db2.gz OWGKZLZFSCNTQY-KGYLQXTDSA-N 1 3 267.373 -0.049 20 0 CBADHO CCN(CCO)CCNC(=O)NCC[C@H](C)[NH2+]C ZINC001117966549 812460167 /nfs/dbraw/zinc/46/01/67/812460167.db2.gz KBNTUPVERCNPFY-NSHDSACASA-N 1 3 260.382 -0.402 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422094 815527883 /nfs/dbraw/zinc/52/78/83/815527883.db2.gz HUVMLLOZXYGBIF-IZJFKLNOSA-N 1 3 259.375 -0.955 20 0 CBADHO Cc1nccn1CCC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001118089025 812469280 /nfs/dbraw/zinc/46/92/80/812469280.db2.gz RNMWCHGOPNHAQJ-OAHLLOKOSA-N 1 3 295.431 -0.220 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424675 815528360 /nfs/dbraw/zinc/52/83/60/815528360.db2.gz UBZVJBUSTSUGCT-WGBDABJCSA-N 1 3 282.388 -0.561 20 0 CBADHO O[C@@H]1CCC[C@H]1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223231 812498798 /nfs/dbraw/zinc/49/87/98/812498798.db2.gz OWNOLKPPBBMXMB-HUUCEWRRSA-N 1 3 282.432 -0.577 20 0 CBADHO CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001118229139 812500169 /nfs/dbraw/zinc/50/01/69/812500169.db2.gz XQNLLUYQFHLAEM-GHMZBOCLSA-N 1 3 266.349 -0.362 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118268197 812513312 /nfs/dbraw/zinc/51/33/12/812513312.db2.gz LPAXEDMTEAGZNO-WFASDCNBSA-N 1 3 296.415 -0.406 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118507288 812563647 /nfs/dbraw/zinc/56/36/47/812563647.db2.gz VVJQNTCVVLJCCT-MRVPVSSYSA-N 1 3 253.306 -0.745 20 0 CBADHO C[C@@H]([NH2+]C1CC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118507263 812564041 /nfs/dbraw/zinc/56/40/41/812564041.db2.gz UOHLXPAHZAMWDT-SSDOTTSWSA-N 1 3 265.317 -0.602 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118571871 812580571 /nfs/dbraw/zinc/58/05/71/812580571.db2.gz KIVNCPQTSDEWCT-ZETCQYMHSA-N 1 3 253.306 -0.887 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546912 815538667 /nfs/dbraw/zinc/53/86/67/815538667.db2.gz NEBAZCOTNRGBLU-ORXSELOVSA-N 1 3 289.326 -0.052 20 0 CBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001158628856 815540723 /nfs/dbraw/zinc/54/07/23/815540723.db2.gz ANTYSBKHICUDDA-OUCADQQQSA-N 1 3 297.447 -0.712 20 0 CBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(CN)ncn1)CC2 ZINC001158640211 815542233 /nfs/dbraw/zinc/54/22/33/815542233.db2.gz XRVGBKJGICXSBJ-FZMZJTMJSA-N 1 3 291.355 -0.333 20 0 CBADHO COCC[C@H]([NH3+])Cc1cn(C[C@H]2CNCCO2)nn1 ZINC001118917864 812661583 /nfs/dbraw/zinc/66/15/83/812661583.db2.gz PLVMKEMQYIYNDH-CMPLNLGQSA-N 1 3 269.349 -0.827 20 0 CBADHO c1c(C2CC[NH2+]CC2)nnn1C[C@@H]1CNCCO1 ZINC001118979456 812682039 /nfs/dbraw/zinc/68/20/39/812682039.db2.gz UGNSOHQQPIDGSU-NSHDSACASA-N 1 3 251.334 -0.267 20 0 CBADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1(N)CC1)CC2 ZINC001158891369 815550138 /nfs/dbraw/zinc/55/01/38/815550138.db2.gz YAYQGGJJUFTLPB-UHFFFAOYSA-N 1 3 294.399 -0.319 20 0 CBADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1(N)CC1)CC2 ZINC001158891369 815550142 /nfs/dbraw/zinc/55/01/42/815550142.db2.gz YAYQGGJJUFTLPB-UHFFFAOYSA-N 1 3 294.399 -0.319 20 0 CBADHO Cn1ncc(CN)c1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001119238669 812728989 /nfs/dbraw/zinc/72/89/89/812728989.db2.gz BCQVCWPYMSHHOO-JGZJWPJOSA-N 1 3 265.361 -0.051 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)c2c(CN)cnn2C)C[NH2+]1 ZINC001119243412 812731552 /nfs/dbraw/zinc/73/15/52/812731552.db2.gz RHLHGABZHKXWDA-WPRPVWTQSA-N 1 3 251.334 -0.251 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC001119294989 812744494 /nfs/dbraw/zinc/74/44/94/812744494.db2.gz QFLJUQHKGIHAMW-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001119295861 812745362 /nfs/dbraw/zinc/74/53/62/812745362.db2.gz YVVWCNMFHKSSDY-XQQFMLRXSA-N 1 3 296.415 -0.027 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cnc2c(c1)CNCC2 ZINC001119295857 812745699 /nfs/dbraw/zinc/74/56/99/812745699.db2.gz HFNKWMXJPVRZSE-PWSUYJOCSA-N 1 3 262.313 -0.218 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001119296525 812745723 /nfs/dbraw/zinc/74/57/23/812745723.db2.gz VBFRVVFQYRIXGJ-QWHCGFSZSA-N 1 3 286.395 -0.312 20 0 CBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CC[NH2+]1)CC2 ZINC001158890199 815551089 /nfs/dbraw/zinc/55/10/89/815551089.db2.gz BJXPWEVUSDJCKP-LBPRGKRZSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCCCC1 ZINC001119342919 812761460 /nfs/dbraw/zinc/76/14/60/812761460.db2.gz ZDGACJNBXHTHQL-UPJWGTAASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119361230 812766658 /nfs/dbraw/zinc/76/66/58/812766658.db2.gz VCDMBYBCXUYLKP-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO CCN(C(=O)CNC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC001119381758 812773141 /nfs/dbraw/zinc/77/31/41/812773141.db2.gz YKEKJLZBELPMKE-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119417851 812779360 /nfs/dbraw/zinc/77/93/60/812779360.db2.gz VCDMBYBCXUYLKP-RWMBFGLXSA-N 1 3 296.415 -0.170 20 0 CBADHO O=S1(=O)CCNC[C@@H]1CC[NH2+]C1CCNCC1 ZINC001119544341 812804108 /nfs/dbraw/zinc/80/41/08/812804108.db2.gz MAHMUSIBYKHLPM-NSHDSACASA-N 1 3 261.391 -0.895 20 0 CBADHO COCc1[nH]nc2c1CN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001159091008 815558345 /nfs/dbraw/zinc/55/83/45/815558345.db2.gz KIXPWGPUWBPBQL-QMMMGPOBSA-N 1 3 253.306 -0.926 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001120432028 812964817 /nfs/dbraw/zinc/96/48/17/812964817.db2.gz CMBZKIQSJSUALD-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@H]1CNCCO1 ZINC001120632944 813002912 /nfs/dbraw/zinc/00/29/12/813002912.db2.gz HHGUJKKIHDXQKO-DMDPSCGWSA-N 1 3 268.361 -0.502 20 0 CBADHO N[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[C@H]1F ZINC001120667989 813008754 /nfs/dbraw/zinc/00/87/54/813008754.db2.gz DQDBGYYPBMEMOP-VPJKUYQRSA-N 1 3 256.325 -0.040 20 0 CBADHO O=C(NCCN1CCCC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001121981826 813099314 /nfs/dbraw/zinc/09/93/14/813099314.db2.gz NYUCRRBZJZOOHQ-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001122009526 813104242 /nfs/dbraw/zinc/10/42/42/813104242.db2.gz SAEBGAGZKNHGPS-BFHYXJOUSA-N 1 3 280.416 -0.119 20 0 CBADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1COC2(CNC2)C1 ZINC001122063497 813110761 /nfs/dbraw/zinc/11/07/61/813110761.db2.gz LCNNDUVKCAWJFK-QWRGUYRKSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1COC2(CNC2)C1 ZINC001122063498 813110774 /nfs/dbraw/zinc/11/07/74/813110774.db2.gz LCNNDUVKCAWJFK-WDEREUQCSA-N 1 3 253.346 -0.377 20 0 CBADHO C[NH2+]CCCCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001122064917 813112039 /nfs/dbraw/zinc/11/20/39/813112039.db2.gz CGJRBYVBYNAELM-UHFFFAOYSA-N 1 3 286.420 -0.146 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)N(C)C ZINC001122064136 813112048 /nfs/dbraw/zinc/11/20/48/813112048.db2.gz UJWOBICEGZDRRW-MNOVXSKESA-N 1 3 255.362 -0.180 20 0 CBADHO O=C(N1CCOC2(CNC2)C1)C12CCC(CC1)[NH2+]2 ZINC001122081439 813114560 /nfs/dbraw/zinc/11/45/60/813114560.db2.gz CZIWRLCOCRSPDY-UHFFFAOYSA-N 1 3 251.330 -0.528 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001122143140 813123806 /nfs/dbraw/zinc/12/38/06/813123806.db2.gz IDINZOFMLDTHJR-UWVGGRQHSA-N 1 3 253.346 -0.521 20 0 CBADHO C[C@@H](Nc1cc2c(nn1)CC[NH2+]C2)[C@@H]1CNCCO1 ZINC001159501683 815578539 /nfs/dbraw/zinc/57/85/39/815578539.db2.gz WYGSLNBEOPWDBS-SKDRFNHKSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@@H](Nc1cc2c(nn1)CCNC2)[C@@H]1C[NH2+]CCO1 ZINC001159501683 815578543 /nfs/dbraw/zinc/57/85/43/815578543.db2.gz WYGSLNBEOPWDBS-SKDRFNHKSA-N 1 3 263.345 -0.089 20 0 CBADHO [NH3+]CC[C@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC001122205268 813132977 /nfs/dbraw/zinc/13/29/77/813132977.db2.gz DTFCYKIQQUBMGR-VIFPVBQESA-N 1 3 263.345 -0.134 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CNCCN1C ZINC001122214931 813133792 /nfs/dbraw/zinc/13/37/92/813133792.db2.gz QVHSDFPRVYBSGQ-VXGBXAGGSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@H]1CNCCO1 ZINC001159502960 815579599 /nfs/dbraw/zinc/57/95/99/815579599.db2.gz RHFDWHJKSWMSSY-BXKDBHETSA-N 1 3 263.345 -0.048 20 0 CBADHO CC(C)([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001122442408 813165633 /nfs/dbraw/zinc/16/56/33/813165633.db2.gz OVPKVAOJWCUIJE-MNOVXSKESA-N 1 3 255.362 -0.219 20 0 CBADHO N[C@@H](CCC[NH3+])Nc1ncccc1C(=O)N1CCNCC1 ZINC001159786522 815596505 /nfs/dbraw/zinc/59/65/05/815596505.db2.gz CPYZKXAEWPYZPL-GFCCVEGCSA-N 1 3 292.387 -0.437 20 0 CBADHO CN(C)C1(C(=O)NCCC[NH2+]CCCO)CCC1 ZINC001159860936 815601553 /nfs/dbraw/zinc/60/15/53/815601553.db2.gz HEKSBHOXESVPMH-UHFFFAOYSA-N 1 3 257.378 -0.051 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC001124866514 813488830 /nfs/dbraw/zinc/48/88/30/813488830.db2.gz FBNZFDLPATZISJ-PWSUYJOCSA-N 1 3 282.388 -0.547 20 0 CBADHO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCN2C)C1=O ZINC001124867092 813489949 /nfs/dbraw/zinc/48/99/49/813489949.db2.gz RUGUWZLTCQPBSR-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001124866512 813490010 /nfs/dbraw/zinc/49/00/10/813490010.db2.gz FBNZFDLPATZISJ-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001124877055 813493737 /nfs/dbraw/zinc/49/37/37/813493737.db2.gz BBKHXRVFIDZGCS-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001127067501 813708876 /nfs/dbraw/zinc/70/88/76/813708876.db2.gz YKYAQOPOSRYFFF-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001127067501 813708883 /nfs/dbraw/zinc/70/88/83/813708883.db2.gz YKYAQOPOSRYFFF-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001127065897 813710507 /nfs/dbraw/zinc/71/05/07/813710507.db2.gz GVPJTLNDTBTBRW-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001127065897 813710511 /nfs/dbraw/zinc/71/05/11/813710511.db2.gz GVPJTLNDTBTBRW-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001127065613 813710554 /nfs/dbraw/zinc/71/05/54/813710554.db2.gz CBWBVROMCWDALT-ZDUSSCGKSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001127065613 813710557 /nfs/dbraw/zinc/71/05/57/813710557.db2.gz CBWBVROMCWDALT-ZDUSSCGKSA-N 1 3 296.415 -0.156 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255600 813722278 /nfs/dbraw/zinc/72/22/78/813722278.db2.gz KDJOUYKQWZTEAQ-QWRGUYRKSA-N 1 3 268.361 -0.948 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255600 813722281 /nfs/dbraw/zinc/72/22/81/813722281.db2.gz KDJOUYKQWZTEAQ-QWRGUYRKSA-N 1 3 268.361 -0.948 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475373 813731908 /nfs/dbraw/zinc/73/19/08/813731908.db2.gz USLYJYCDQFBBGD-LBPRGKRZSA-N 1 3 282.388 -0.878 20 0 CBADHO CN1CC[C@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480469 813733667 /nfs/dbraw/zinc/73/36/67/813733667.db2.gz KKVVVFAQVXTESW-OLZOCXBDSA-N 1 3 294.399 -0.735 20 0 CBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475593 813733933 /nfs/dbraw/zinc/73/39/33/813733933.db2.gz WIGMHMXPJJWSSS-CQSZACIVSA-N 1 3 291.399 -0.032 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127639054 813739046 /nfs/dbraw/zinc/73/90/46/813739046.db2.gz SPGBAPZWYCUEOQ-UTUOFQBUSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001127639054 813739048 /nfs/dbraw/zinc/73/90/48/813739048.db2.gz SPGBAPZWYCUEOQ-UTUOFQBUSA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643938 813739127 /nfs/dbraw/zinc/73/91/27/813739127.db2.gz RTBWGXKWOBRFGL-GMTAPVOTSA-N 1 3 270.377 -0.833 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643938 813739130 /nfs/dbraw/zinc/73/91/30/813739130.db2.gz RTBWGXKWOBRFGL-GMTAPVOTSA-N 1 3 270.377 -0.833 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001128533614 813780211 /nfs/dbraw/zinc/78/02/11/813780211.db2.gz PBWFMHZEZUTVTO-GHMZBOCLSA-N 1 3 290.383 -0.493 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)CCC1 ZINC001129356175 813836908 /nfs/dbraw/zinc/83/69/08/813836908.db2.gz DAFAPPBSLVEIJI-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129411243 813839307 /nfs/dbraw/zinc/83/93/07/813839307.db2.gz YCESJWIWFXWNOA-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129411243 813839317 /nfs/dbraw/zinc/83/93/17/813839317.db2.gz YCESJWIWFXWNOA-LBPRGKRZSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001129363564 813840307 /nfs/dbraw/zinc/84/03/07/813840307.db2.gz JUNBPQQOKAPGAF-LLVKDONJSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001129358590 813840712 /nfs/dbraw/zinc/84/07/12/813840712.db2.gz VCIHHXNMVOBSKW-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(N)=O ZINC001129415779 813840977 /nfs/dbraw/zinc/84/09/77/813840977.db2.gz CMEWTXMQVPPLFH-NSHDSACASA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(N)=O ZINC001129415779 813840987 /nfs/dbraw/zinc/84/09/87/813840987.db2.gz CMEWTXMQVPPLFH-NSHDSACASA-N 1 3 270.377 -0.560 20 0 CBADHO Cn1nccc1CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435657 813843883 /nfs/dbraw/zinc/84/38/83/813843883.db2.gz IINMHJLQTNPGKA-ZDUSSCGKSA-N 1 3 279.388 -0.034 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436718 813844167 /nfs/dbraw/zinc/84/41/67/813844167.db2.gz RUQKKJCBZVYMRR-SMDDNHRTSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001129443615 813845711 /nfs/dbraw/zinc/84/57/11/813845711.db2.gz LBQAEGYDWPXZNS-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCn1cncn1)C1CC1 ZINC001129444276 813846381 /nfs/dbraw/zinc/84/63/81/813846381.db2.gz PZXIZSWAVHEZLP-GFCCVEGCSA-N 1 3 280.376 -0.676 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839580 813869500 /nfs/dbraw/zinc/86/95/00/813869500.db2.gz BZSLGZOYXBLVCA-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839580 813869507 /nfs/dbraw/zinc/86/95/07/813869507.db2.gz BZSLGZOYXBLVCA-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129841021 813869986 /nfs/dbraw/zinc/86/99/86/813869986.db2.gz LLTHKXAPHFHRHB-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129841021 813869995 /nfs/dbraw/zinc/86/99/95/813869995.db2.gz LLTHKXAPHFHRHB-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839952 813870862 /nfs/dbraw/zinc/87/08/62/813870862.db2.gz CLEPXVCPQQIMAM-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129839952 813870875 /nfs/dbraw/zinc/87/08/75/813870875.db2.gz CLEPXVCPQQIMAM-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129842004 813871706 /nfs/dbraw/zinc/87/17/06/813871706.db2.gz RQMVWRRMWNOHMJ-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129842004 813871722 /nfs/dbraw/zinc/87/17/22/813871722.db2.gz RQMVWRRMWNOHMJ-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129839948 813871799 /nfs/dbraw/zinc/87/17/99/813871799.db2.gz CLEPXVCPQQIMAM-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129839948 813871810 /nfs/dbraw/zinc/87/18/10/813871810.db2.gz CLEPXVCPQQIMAM-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(N)=O ZINC001129856661 813872125 /nfs/dbraw/zinc/87/21/25/813872125.db2.gz VJAKMCWHSULPOY-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(N)=O ZINC001129856661 813872136 /nfs/dbraw/zinc/87/21/36/813872136.db2.gz VJAKMCWHSULPOY-JTQLQIEISA-N 1 3 256.350 -0.948 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949243 813881507 /nfs/dbraw/zinc/88/15/07/813881507.db2.gz ACSRQUDVUDLSJL-QWRGUYRKSA-N 1 3 272.393 -0.587 20 0 CBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCC1CC1)[NH+](C)C ZINC001129947117 813881949 /nfs/dbraw/zinc/88/19/49/813881949.db2.gz KRJSEMSUCMFPDZ-AWEZNQCLSA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001129947174 813882448 /nfs/dbraw/zinc/88/24/48/813882448.db2.gz MUZPQVQXHBMGNC-NEPJUHHUSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047784 813901195 /nfs/dbraw/zinc/90/11/95/813901195.db2.gz SZMMUDIHUAMASU-OLZOCXBDSA-N 1 3 294.403 -0.019 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001130107189 813908721 /nfs/dbraw/zinc/90/87/21/813908721.db2.gz IJVTVLQGDRJPTQ-OLZOCXBDSA-N 1 3 294.403 -0.019 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001130199998 813916192 /nfs/dbraw/zinc/91/61/92/813916192.db2.gz APIBMHNJGTVSLB-CHWSQXEVSA-N 1 3 297.403 -0.710 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001130203100 813918466 /nfs/dbraw/zinc/91/84/66/813918466.db2.gz DOVWJFSCOVZHAX-LLVKDONJSA-N 1 3 285.392 -0.942 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001130203171 813918656 /nfs/dbraw/zinc/91/86/56/813918656.db2.gz HRLNXBVEBAQGFK-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001130205798 813919006 /nfs/dbraw/zinc/91/90/06/813919006.db2.gz WXBXLSKZTHOPJN-NWDGAFQWSA-N 1 3 294.403 -0.189 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001130203414 813919111 /nfs/dbraw/zinc/91/91/11/813919111.db2.gz KQWPKKXJGJPOAX-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COC)N(C)C ZINC001130202997 813919383 /nfs/dbraw/zinc/91/93/83/813919383.db2.gz DLHISBZDVSOKTH-WDEREUQCSA-N 1 3 261.366 -0.960 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001130427931 813938317 /nfs/dbraw/zinc/93/83/17/813938317.db2.gz VRFLBUUCRILIDX-NSHDSACASA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001130427931 813938322 /nfs/dbraw/zinc/93/83/22/813938322.db2.gz VRFLBUUCRILIDX-NSHDSACASA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130425352 813939211 /nfs/dbraw/zinc/93/92/11/813939211.db2.gz VERPYGUQXOTRRI-SNVBAGLBSA-N 1 3 298.387 -0.772 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130425352 813939218 /nfs/dbraw/zinc/93/92/18/813939218.db2.gz VERPYGUQXOTRRI-SNVBAGLBSA-N 1 3 298.387 -0.772 20 0 CBADHO CNC(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130553861 813952797 /nfs/dbraw/zinc/95/27/97/813952797.db2.gz PMCPSLBXRXQCHY-UHFFFAOYSA-N 1 3 293.371 -0.640 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130709212 813969078 /nfs/dbraw/zinc/96/90/78/813969078.db2.gz XFYAMXSYHANVFI-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130709212 813969080 /nfs/dbraw/zinc/96/90/80/813969080.db2.gz XFYAMXSYHANVFI-NWDGAFQWSA-N 1 3 284.404 -0.314 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130713517 813970979 /nfs/dbraw/zinc/97/09/79/813970979.db2.gz RCPVKWAWTMCSPZ-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713517 813970983 /nfs/dbraw/zinc/97/09/83/813970983.db2.gz RCPVKWAWTMCSPZ-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521597 814036831 /nfs/dbraw/zinc/03/68/31/814036831.db2.gz CMSSBCLVVFGTAB-AKJDGMEZSA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CCN(CCO)C2)O1 ZINC001131682393 814053413 /nfs/dbraw/zinc/05/34/13/814053413.db2.gz OQKFBVSYQJDSIU-DZGCQCFKSA-N 1 3 299.415 -0.378 20 0 CBADHO C[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132283885 814120188 /nfs/dbraw/zinc/12/01/88/814120188.db2.gz NAOMOFDDTTWJKV-JTQLQIEISA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132286960 814122357 /nfs/dbraw/zinc/12/23/57/814122357.db2.gz PALKTVDXERHNCS-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)CN1CCO ZINC001132425611 814148240 /nfs/dbraw/zinc/14/82/40/814148240.db2.gz JTBNBUCGYSIRBQ-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)CN1CCO ZINC001132425609 814148572 /nfs/dbraw/zinc/14/85/72/814148572.db2.gz JTBNBUCGYSIRBQ-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC)C1 ZINC001132738392 814182460 /nfs/dbraw/zinc/18/24/60/814182460.db2.gz BJAAKNFEKYMQDX-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC)C1 ZINC001132738392 814182465 /nfs/dbraw/zinc/18/24/65/814182465.db2.gz BJAAKNFEKYMQDX-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCC)C1 ZINC001132736949 814182618 /nfs/dbraw/zinc/18/26/18/814182618.db2.gz GSIRPEPETNWGGM-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCC)C1 ZINC001132736949 814182622 /nfs/dbraw/zinc/18/26/22/814182622.db2.gz GSIRPEPETNWGGM-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001132995462 814206892 /nfs/dbraw/zinc/20/68/92/814206892.db2.gz UNVFSCGQGMVFGP-LLVKDONJSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@H](NCCNC(=O)CCC[NH+](C)C)C(N)=O ZINC001133051903 814211731 /nfs/dbraw/zinc/21/17/31/814211731.db2.gz UMQIRFYYILLQRA-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040176 814212119 /nfs/dbraw/zinc/21/21/19/814212119.db2.gz DYLGIVZOBJHDHE-UHFFFAOYSA-N 1 3 272.393 -0.440 20 0 CBADHO Cn1nccc1CNCCNC(=O)CCC[NH+](C)C ZINC001133040349 814212720 /nfs/dbraw/zinc/21/27/20/814212720.db2.gz MPODFFHYPOZQSP-UHFFFAOYSA-N 1 3 267.377 -0.032 20 0 CBADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(N)=O ZINC001133135657 814220080 /nfs/dbraw/zinc/22/00/80/814220080.db2.gz VFLSUWSABRSVIG-GHMZBOCLSA-N 1 3 293.371 -0.488 20 0 CBADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133135658 814220257 /nfs/dbraw/zinc/22/02/57/814220257.db2.gz VFLSUWSABRSVIG-MNOVXSKESA-N 1 3 293.371 -0.488 20 0 CBADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001133286105 814235085 /nfs/dbraw/zinc/23/50/85/814235085.db2.gz XJJPRIOSMOWASY-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287693 814235472 /nfs/dbraw/zinc/23/54/72/814235472.db2.gz MMEGHHQMNVCONH-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH+](C)CCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001133288271 814236411 /nfs/dbraw/zinc/23/64/11/814236411.db2.gz TZFNWPGVFMVUCB-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001133286058 814236450 /nfs/dbraw/zinc/23/64/50/814236450.db2.gz VMCSPUVDWYSUGZ-UHFFFAOYSA-N 1 3 282.388 -0.734 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133418589 814251505 /nfs/dbraw/zinc/25/15/05/814251505.db2.gz ACSRQUDVUDLSJL-GHMZBOCLSA-N 1 3 272.393 -0.587 20 0 CBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001133433684 814253725 /nfs/dbraw/zinc/25/37/25/814253725.db2.gz AFZSTXKBPMPBCH-CYBMUJFWSA-N 1 3 298.431 -0.195 20 0 CBADHO CC[C@H](C(=O)NCCN[C@@H]1CCNC1=O)[NH+](CC)CC ZINC001133684134 814288257 /nfs/dbraw/zinc/28/82/57/814288257.db2.gz DGUONANBXSPWGY-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819780 814299305 /nfs/dbraw/zinc/29/93/05/814299305.db2.gz NWZLNIGMTFRROG-VXGBXAGGSA-N 1 3 273.377 -0.816 20 0 CBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001133830747 814302577 /nfs/dbraw/zinc/30/25/77/814302577.db2.gz DFCFIHGCUASHNN-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001133830747 814302586 /nfs/dbraw/zinc/30/25/86/814302586.db2.gz DFCFIHGCUASHNN-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133845862 814307090 /nfs/dbraw/zinc/30/70/90/814307090.db2.gz OXFNZMQTNNIKBY-GFCCVEGCSA-N 1 3 297.403 -0.941 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133846395 814307345 /nfs/dbraw/zinc/30/73/45/814307345.db2.gz ZZIIOLLRSOZILJ-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849640 814308836 /nfs/dbraw/zinc/30/88/36/814308836.db2.gz BDEMDBSMUUICQZ-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001133849640 814308845 /nfs/dbraw/zinc/30/88/45/814308845.db2.gz BDEMDBSMUUICQZ-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO COC[C@@H](O)C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845954 814308953 /nfs/dbraw/zinc/30/89/53/814308953.db2.gz QMFKTSRWTIYAFE-NEPJUHHUSA-N 1 3 273.377 -0.959 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863325 814310334 /nfs/dbraw/zinc/31/03/34/814310334.db2.gz LDGIAOSRDHZXLG-QWHCGFSZSA-N 1 3 298.431 -0.338 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863325 814310340 /nfs/dbraw/zinc/31/03/40/814310340.db2.gz LDGIAOSRDHZXLG-QWHCGFSZSA-N 1 3 298.431 -0.338 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863924 814310539 /nfs/dbraw/zinc/31/05/39/814310539.db2.gz RHPDXNLTYQAEBI-NWDGAFQWSA-N 1 3 284.404 -0.584 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863924 814310545 /nfs/dbraw/zinc/31/05/45/814310545.db2.gz RHPDXNLTYQAEBI-NWDGAFQWSA-N 1 3 284.404 -0.584 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863925 814311352 /nfs/dbraw/zinc/31/13/52/814311352.db2.gz RHPDXNLTYQAEBI-RYUDHWBXSA-N 1 3 284.404 -0.584 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863925 814311357 /nfs/dbraw/zinc/31/13/57/814311357.db2.gz RHPDXNLTYQAEBI-RYUDHWBXSA-N 1 3 284.404 -0.584 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCc2cnn(C)c2)C1 ZINC001133853655 814311726 /nfs/dbraw/zinc/31/17/26/814311726.db2.gz NOLNSDLIKGACPC-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCc2cnn(C)c2)C1 ZINC001133853655 814311733 /nfs/dbraw/zinc/31/17/33/814311733.db2.gz NOLNSDLIKGACPC-GFCCVEGCSA-N 1 3 279.388 -0.032 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868151 814313312 /nfs/dbraw/zinc/31/33/12/814313312.db2.gz ZXRVVEYEVVUKCJ-NEPJUHHUSA-N 1 3 282.388 -0.878 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868151 814313323 /nfs/dbraw/zinc/31/33/23/814313323.db2.gz ZXRVVEYEVVUKCJ-NEPJUHHUSA-N 1 3 282.388 -0.878 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867606 814315772 /nfs/dbraw/zinc/31/57/72/814315772.db2.gz VZGZVINSEDRFEX-RYUDHWBXSA-N 1 3 284.404 -0.632 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867606 814315782 /nfs/dbraw/zinc/31/57/82/814315782.db2.gz VZGZVINSEDRFEX-RYUDHWBXSA-N 1 3 284.404 -0.632 20 0 CBADHO C[C@@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896864 814320942 /nfs/dbraw/zinc/32/09/42/814320942.db2.gz SLYBQHYMVSUMQC-LLVKDONJSA-N 1 3 257.378 -0.195 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]CCOCCO)N(C)C ZINC001133962680 814330888 /nfs/dbraw/zinc/33/08/88/814330888.db2.gz LHTPPMSFMLZPPD-NSHDSACASA-N 1 3 261.366 -0.959 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001133965825 814331923 /nfs/dbraw/zinc/33/19/23/814331923.db2.gz LJHMLWGSWSWXTB-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932367 815605638 /nfs/dbraw/zinc/60/56/38/815605638.db2.gz PTJJTUYRAVDVMU-ZYHUDNBSSA-N 1 3 257.378 -0.197 20 0 CBADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001159997018 815605790 /nfs/dbraw/zinc/60/57/90/815605790.db2.gz BFRKYHTYOKTPLE-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997489 815606796 /nfs/dbraw/zinc/60/67/96/815606796.db2.gz OSIXYDHVKJSPSZ-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001159997598 815607982 /nfs/dbraw/zinc/60/79/82/815607982.db2.gz SYXOEBSQVDTNKG-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CN(CC(=O)NCCC[NH2+]CC(N)=O)C1CCC1 ZINC001159997576 815608128 /nfs/dbraw/zinc/60/81/28/815608128.db2.gz SJPGMCOOQJROAQ-UHFFFAOYSA-N 1 3 256.350 -0.948 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001135512964 814481891 /nfs/dbraw/zinc/48/18/91/814481891.db2.gz CDYKUZIKSAQILN-UHFFFAOYSA-N 1 3 298.387 -0.817 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+]CCOCCO ZINC001135511394 814482144 /nfs/dbraw/zinc/48/21/44/814482144.db2.gz QCQACKPZUIYPKC-UHFFFAOYSA-N 1 3 261.366 -0.957 20 0 CBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135744212 814518215 /nfs/dbraw/zinc/51/82/15/814518215.db2.gz XVNQCIVLWDKIED-MNOVXSKESA-N 1 3 272.393 -0.314 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001142646445 814728690 /nfs/dbraw/zinc/72/86/90/814728690.db2.gz NJLOFOYYQXLFLB-URLYPYJESA-N 1 3 268.361 -0.057 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CNC(=O)C1 ZINC001143305221 814769293 /nfs/dbraw/zinc/76/92/93/814769293.db2.gz QBDPXAPTOHBTMW-VIFPVBQESA-N 1 3 269.349 -0.814 20 0 CBADHO COCCN(C(=O)CN(C)C(N)=[NH2+])C1CCN(C)CC1 ZINC001144132344 814773370 /nfs/dbraw/zinc/77/33/70/814773370.db2.gz NQNJSZIDRKNDFY-UHFFFAOYSA-N 1 3 285.392 -0.619 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711043 814843670 /nfs/dbraw/zinc/84/36/70/814843670.db2.gz NNDWANQAASALCL-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711043 814843674 /nfs/dbraw/zinc/84/36/74/814843674.db2.gz NNDWANQAASALCL-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO Cc1ncc(C(=O)N(CCCC[NH3+])C(=N)N)cn1 ZINC001146960768 814859563 /nfs/dbraw/zinc/85/95/63/814859563.db2.gz VPXBZOJAIFAVQT-UHFFFAOYSA-N 1 3 250.306 -0.140 20 0 CBADHO NC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333710 814889406 /nfs/dbraw/zinc/88/94/06/814889406.db2.gz VWNRCDCIDYHAAU-UHFFFAOYSA-N 1 3 282.388 -0.701 20 0 CBADHO Cc1cc(=O)c(C(=O)N(CCCC[NH3+])C(=N)N)c[nH]1 ZINC001147643937 814907266 /nfs/dbraw/zinc/90/72/66/814907266.db2.gz SHIMLYLFONZVNX-UHFFFAOYSA-N 1 3 265.317 -0.242 20 0 CBADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147892096 814923825 /nfs/dbraw/zinc/92/38/25/814923825.db2.gz HZGNUPPDQHWEGP-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147892096 814923830 /nfs/dbraw/zinc/92/38/30/814923830.db2.gz HZGNUPPDQHWEGP-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001159915003 815604158 /nfs/dbraw/zinc/60/41/58/815604158.db2.gz FUQGLFMSRHBKRJ-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915682 815604507 /nfs/dbraw/zinc/60/45/07/815604507.db2.gz LVIPUZNDLXWHSD-AWEZNQCLSA-N 1 3 298.431 -0.053 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159916740 815604808 /nfs/dbraw/zinc/60/48/08/815604808.db2.gz RTYNVKRZNCWUSE-OLZOCXBDSA-N 1 3 287.404 -0.570 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428861 815620705 /nfs/dbraw/zinc/62/07/05/815620705.db2.gz WXYJAUDYLPGUCZ-QEYWKRMJSA-N 1 3 261.366 -0.036 20 0 CBADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CC[S@](C)=O ZINC001160455020 815625002 /nfs/dbraw/zinc/62/50/02/815625002.db2.gz XEJLDBZDODQWJT-BUXKBTBVSA-N 1 3 289.445 -0.118 20 0 CBADHO C[NH2+]CC1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001160456112 815625532 /nfs/dbraw/zinc/62/55/32/815625532.db2.gz BQVRIQPFJBQHRZ-LLVKDONJSA-N 1 3 285.392 -0.780 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456331 815625616 /nfs/dbraw/zinc/62/56/16/815625616.db2.gz IARCGQPFMZNBJH-NSHDSACASA-N 1 3 285.392 -0.732 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160470884 815626900 /nfs/dbraw/zinc/62/69/00/815626900.db2.gz JQTMQQGGZGHHKS-LLVKDONJSA-N 1 3 256.350 -0.963 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2cccc2C1 ZINC001160477053 815628138 /nfs/dbraw/zinc/62/81/38/815628138.db2.gz SEOLEHAJCMCYRI-GFCCVEGCSA-N 1 3 260.341 -0.361 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC12COC2 ZINC001160542449 815635513 /nfs/dbraw/zinc/63/55/13/815635513.db2.gz XAFJAKYJOMAJOO-SNVBAGLBSA-N 1 3 251.330 -0.813 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160557965 815637515 /nfs/dbraw/zinc/63/75/15/815637515.db2.gz KPFVQVFXYXSBNV-LLVKDONJSA-N 1 3 275.356 -0.886 20 0 CBADHO Cn1ncc2c1CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160564136 815638645 /nfs/dbraw/zinc/63/86/45/815638645.db2.gz DMOTXFSTYTURGF-VIFPVBQESA-N 1 3 269.374 -0.719 20 0 CBADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H](N)CCC[NH3+] ZINC001160565532 815638748 /nfs/dbraw/zinc/63/87/48/815638748.db2.gz ZMZWGWQJJHWNBD-SNVBAGLBSA-N 1 3 277.328 -0.181 20 0 CBADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160583425 815641097 /nfs/dbraw/zinc/64/10/97/815641097.db2.gz XXUBGAAMNVECQT-NWDGAFQWSA-N 1 3 295.383 -0.260 20 0 CBADHO COC(=O)C[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160595508 815642455 /nfs/dbraw/zinc/64/24/55/815642455.db2.gz CPZVSUSMJFHLQH-QWRGUYRKSA-N 1 3 287.360 -0.767 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](n2cncn2)C1 ZINC001160635603 815646712 /nfs/dbraw/zinc/64/67/12/815646712.db2.gz BCCQQEWWRWXUKK-NEPJUHHUSA-N 1 3 290.371 -0.749 20 0 CBADHO N[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638691 815649390 /nfs/dbraw/zinc/64/93/90/815649390.db2.gz XYMOUBHTBQGRFF-OLZOCXBDSA-N 1 3 292.387 -0.232 20 0 CBADHO C[C@H]1CC(=O)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160643094 815650067 /nfs/dbraw/zinc/65/00/67/815650067.db2.gz XTHPBFJKCRULHX-MISXGVKJSA-N 1 3 265.357 -0.235 20 0 CBADHO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160654833 815653095 /nfs/dbraw/zinc/65/30/95/815653095.db2.gz CPUBBPPPHORVBS-GMTAPVOTSA-N 1 3 253.346 -0.833 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2NCCC[C@H]2C(F)(F)F)C[C@H]1O ZINC001160652347 815653409 /nfs/dbraw/zinc/65/34/09/815653409.db2.gz BFJRKIOPBZLWOK-KYXWUPHJSA-N 1 3 295.305 -0.163 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688734 815657015 /nfs/dbraw/zinc/65/70/15/815657015.db2.gz GBDHVFBNAYITOV-VXGBXAGGSA-N 1 3 289.383 -0.075 20 0 CBADHO C[N@H+]1C[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]2C1 ZINC001160704149 815660931 /nfs/dbraw/zinc/66/09/31/815660931.db2.gz HPIBDSJIRRMYDX-XQQFMLRXSA-N 1 3 294.399 -0.654 20 0 CBADHO C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]2C1 ZINC001160704149 815660935 /nfs/dbraw/zinc/66/09/35/815660935.db2.gz HPIBDSJIRRMYDX-XQQFMLRXSA-N 1 3 294.399 -0.654 20 0 CBADHO O=C(N1CCN2CCC1CC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160725520 815665284 /nfs/dbraw/zinc/66/52/84/815665284.db2.gz BUJHPSYYMVADAC-BXUZGUMPSA-N 1 3 264.373 -0.756 20 0 CBADHO C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H](N)CC(F)F ZINC001160837516 815676464 /nfs/dbraw/zinc/67/64/64/815676464.db2.gz AMYDUYWITNNDCS-IUCAKERBSA-N 1 3 265.304 -0.242 20 0 CBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]21 ZINC001160880544 815683865 /nfs/dbraw/zinc/68/38/65/815683865.db2.gz ZQIVLBFLLPUQQG-ZRUFSTJUSA-N 1 3 269.345 -0.680 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967018 815691238 /nfs/dbraw/zinc/69/12/38/815691238.db2.gz IJMCDPJEEFLYFT-VXNVDRBHSA-N 1 3 273.287 -0.526 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967228 815691513 /nfs/dbraw/zinc/69/15/13/815691513.db2.gz LNVXHRBSUHCCHJ-WPRPVWTQSA-N 1 3 287.314 -0.515 20 0 CBADHO CC(C)OC1CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161009291 815694844 /nfs/dbraw/zinc/69/48/44/815694844.db2.gz FGKOPDJPWWUJEY-JTQLQIEISA-N 1 3 261.391 -0.359 20 0 CBADHO CCC[C@H](N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000851 815695105 /nfs/dbraw/zinc/69/51/05/815695105.db2.gz VHDHDEFZSSVTGA-WDEREUQCSA-N 1 3 255.362 -0.171 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001161031396 815699795 /nfs/dbraw/zinc/69/97/95/815699795.db2.gz CYNIDPUELVQHLT-NSHDSACASA-N 1 3 284.429 -0.162 20 0 CBADHO NC(=S)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001161031066 815700342 /nfs/dbraw/zinc/70/03/42/815700342.db2.gz RGGRWMPRJDPCQZ-BXUZGUMPSA-N 1 3 296.440 -0.290 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O ZINC001161034495 815701494 /nfs/dbraw/zinc/70/14/94/815701494.db2.gz KPXFCNPVYVQGNX-RYUDHWBXSA-N 1 3 284.404 -0.042 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O ZINC001161034875 815702226 /nfs/dbraw/zinc/70/22/26/815702226.db2.gz OERCKVGLOSULPE-QWRGUYRKSA-N 1 3 270.377 -0.478 20 0 CBADHO Nc1ccc2c(c1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001161077183 815708922 /nfs/dbraw/zinc/70/89/22/815708922.db2.gz RKTPCGVOPAAHJN-CQSZACIVSA-N 1 3 286.379 -0.038 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@H]21 ZINC001161081350 815709567 /nfs/dbraw/zinc/70/95/67/815709567.db2.gz ITJSUPIDGDNUIN-KGYLQXTDSA-N 1 3 277.372 -0.168 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@H]21 ZINC001161081350 815709572 /nfs/dbraw/zinc/70/95/72/815709572.db2.gz ITJSUPIDGDNUIN-KGYLQXTDSA-N 1 3 277.372 -0.168 20 0 CBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084241 815711632 /nfs/dbraw/zinc/71/16/32/815711632.db2.gz DMDABXQKDVNBRK-AXFHLTTASA-N 1 3 279.340 -0.613 20 0 CBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084241 815711636 /nfs/dbraw/zinc/71/16/36/815711636.db2.gz DMDABXQKDVNBRK-AXFHLTTASA-N 1 3 279.340 -0.613 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001161082049 815711805 /nfs/dbraw/zinc/71/18/05/815711805.db2.gz NJWKLGLBOCUEQN-WYUUTHIRSA-N 1 3 253.346 -0.738 20 0 CBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161132326 815718523 /nfs/dbraw/zinc/71/85/23/815718523.db2.gz YELDNTSVEGYUER-CHWSQXEVSA-N 1 3 294.399 -0.735 20 0 CBADHO CO[C@H](C)C1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161146116 815721961 /nfs/dbraw/zinc/72/19/61/815721961.db2.gz MRYXKKYGSPYVKD-KOLCDFICSA-N 1 3 253.346 -0.711 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170602 815725251 /nfs/dbraw/zinc/72/52/51/815725251.db2.gz KNUHUXHDQXSDNA-RYUDHWBXSA-N 1 3 281.360 -0.958 20 0 CBADHO O=C(N1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161178426 815726130 /nfs/dbraw/zinc/72/61/30/815726130.db2.gz OOYXIGJKKVDLQD-ZWNOBZJWSA-N 1 3 253.346 -0.831 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161270339 815735504 /nfs/dbraw/zinc/73/55/04/815735504.db2.gz MXSUMKPGPDESQO-CHWSQXEVSA-N 1 3 282.388 -0.560 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161295549 815737223 /nfs/dbraw/zinc/73/72/23/815737223.db2.gz LIRFYEROUZIECQ-VXGBXAGGSA-N 1 3 293.371 -0.087 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297384 815738164 /nfs/dbraw/zinc/73/81/64/815738164.db2.gz WMDCQSQIEQDFQQ-NSHDSACASA-N 1 3 282.388 -0.286 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297576 815738590 /nfs/dbraw/zinc/73/85/90/815738590.db2.gz ZEXABMHXAOCCAG-JTQLQIEISA-N 1 3 268.361 -0.676 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412014 815751953 /nfs/dbraw/zinc/75/19/53/815751953.db2.gz FCMVHQFADSIXLG-SYEHKZFSSA-N 1 3 277.372 -0.514 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C[C@@H]1C ZINC001161459193 815757123 /nfs/dbraw/zinc/75/71/23/815757123.db2.gz ACHHOXPPEVIVTF-DLOVCJGASA-N 1 3 283.372 -0.419 20 0 CBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]21 ZINC001161481182 815759189 /nfs/dbraw/zinc/75/91/89/815759189.db2.gz CTQZLYZGZYZODZ-AGIUHOORSA-N 1 3 296.415 -0.088 20 0 CBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@@H]21 ZINC001161484279 815760095 /nfs/dbraw/zinc/76/00/95/815760095.db2.gz VCVSPUQPMCOONC-WOPDTQHZSA-N 1 3 282.388 -0.478 20 0 CBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CCC[NH3+])C2)C[C@H](C)O1 ZINC001161493376 815761119 /nfs/dbraw/zinc/76/11/19/815761119.db2.gz MOTLBPPPUJWPRX-LOWVWBTDSA-N 1 3 284.404 -0.627 20 0 CBADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001161489972 815761623 /nfs/dbraw/zinc/76/16/23/815761623.db2.gz SMZYQDBMRHYWFT-YPMHNXCESA-N 1 3 265.361 -0.133 20 0 CBADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H](F)CCN2)CC12COC2 ZINC001161509862 815765345 /nfs/dbraw/zinc/76/53/45/815765345.db2.gz LSILJHRATLYYSI-LPEHRKFASA-N 1 3 257.309 -0.737 20 0 CBADHO NC[C@H](N)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595769 815772719 /nfs/dbraw/zinc/77/27/19/815772719.db2.gz UXCDIXAXKGJYIB-ZDUSSCGKSA-N 1 3 274.368 -0.107 20 0 CBADHO COCCOC1CN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161572398 815773008 /nfs/dbraw/zinc/77/30/08/815773008.db2.gz MSZQHGJSDLZANH-NSHDSACASA-N 1 3 259.350 -0.684 20 0 CBADHO [NH3+]C1CCN(CCNc2ncnc3c2CCNC3)CC1 ZINC001161867429 815790894 /nfs/dbraw/zinc/79/08/94/815790894.db2.gz QOPLMIPOXUJBQB-UHFFFAOYSA-N 1 3 276.388 -0.043 20 0 CBADHO CS(=O)(=O)N(CC[NH3+])c1cnc2c(c1)CNCC2 ZINC001162128798 815805444 /nfs/dbraw/zinc/80/54/44/815805444.db2.gz KVIGWFDYIJKQSO-UHFFFAOYSA-N 1 3 270.358 -0.548 20 0 CBADHO O=C(NCCC[NH2+]CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162851324 815846010 /nfs/dbraw/zinc/84/60/10/815846010.db2.gz NZDWCYJXKZLJBN-JVWICGRDSA-N 1 3 297.399 -0.672 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)CNCC3)N1 ZINC001163235030 815865945 /nfs/dbraw/zinc/86/59/45/815865945.db2.gz AZGPGSCYIWJXHR-GWCFXTLKSA-N 1 3 274.328 -0.888 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc3c(n2)CNCC3)N1 ZINC001163235048 815866626 /nfs/dbraw/zinc/86/66/26/815866626.db2.gz AZGPGSCYIWJXHR-GXFFZTMASA-N 1 3 274.328 -0.888 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1)N(C)C ZINC001316625123 816872071 /nfs/dbraw/zinc/87/20/71/816872071.db2.gz RSDVBOHDEDXFDS-TUAOUCFPSA-N 1 3 257.378 -0.197 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)[C@H]2CCNC2=O)C1 ZINC001316851439 816892870 /nfs/dbraw/zinc/89/28/70/816892870.db2.gz WSEIBLQCLCJCEW-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@H]2CCNC2=O)C1 ZINC001316851439 816892878 /nfs/dbraw/zinc/89/28/78/816892878.db2.gz WSEIBLQCLCJCEW-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCCNC(=O)CC[NH+](C)C)[C@H]1CCNC1=O ZINC001316901335 816899814 /nfs/dbraw/zinc/89/98/14/816899814.db2.gz GSKRSZDNINVUML-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001316990605 816917406 /nfs/dbraw/zinc/91/74/06/816917406.db2.gz CHTQKWCQDKRSGE-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001316990605 816917408 /nfs/dbraw/zinc/91/74/08/816917408.db2.gz CHTQKWCQDKRSGE-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC001317112575 816933472 /nfs/dbraw/zinc/93/34/72/816933472.db2.gz BVVZTYFFEXKQFD-PHIMTYICSA-N 1 3 255.362 -0.300 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCO)C1 ZINC001317511453 816999739 /nfs/dbraw/zinc/99/97/39/816999739.db2.gz ASXKXQBYCJCJFN-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCO)C1 ZINC001317511453 816999744 /nfs/dbraw/zinc/99/97/44/816999744.db2.gz ASXKXQBYCJCJFN-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317630612 817035666 /nfs/dbraw/zinc/03/56/66/817035666.db2.gz HGZZFJDLQMJFFE-UHFFFAOYSA-N 1 3 270.377 -0.878 20 0 CBADHO C[N@H+](CCO)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317862410 817053447 /nfs/dbraw/zinc/05/34/47/817053447.db2.gz WKRPFNGCRIBXCD-CYBMUJFWSA-N 1 3 269.389 -0.145 20 0 CBADHO C[N@@H+](CCO)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317862410 817053455 /nfs/dbraw/zinc/05/34/55/817053455.db2.gz WKRPFNGCRIBXCD-CYBMUJFWSA-N 1 3 269.389 -0.145 20 0 CBADHO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNCCF)CC1 ZINC001320284177 817314395 /nfs/dbraw/zinc/31/43/95/817314395.db2.gz TXEBBNSCUZTOTM-LBPRGKRZSA-N 1 3 275.368 -0.246 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)NC)CC[N@@H+]1C ZINC001320738532 817385166 /nfs/dbraw/zinc/38/51/66/817385166.db2.gz YVAVEDWNZLXRRG-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)NC)CC[N@H+]1C ZINC001320738532 817385176 /nfs/dbraw/zinc/38/51/76/817385176.db2.gz YVAVEDWNZLXRRG-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320839991 817401210 /nfs/dbraw/zinc/40/12/10/817401210.db2.gz HEFDIMAIQATGJA-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320839991 817401217 /nfs/dbraw/zinc/40/12/17/817401217.db2.gz HEFDIMAIQATGJA-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO CCCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320922607 817411079 /nfs/dbraw/zinc/41/10/79/817411079.db2.gz VADURQUYWIJIHL-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320922607 817411085 /nfs/dbraw/zinc/41/10/85/817411085.db2.gz VADURQUYWIJIHL-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001320998070 817425983 /nfs/dbraw/zinc/42/59/83/817425983.db2.gz MRMJIJANQIIPID-PCAWENJQSA-N 1 3 255.362 -0.011 20 0 CBADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001321220710 817464055 /nfs/dbraw/zinc/46/40/55/817464055.db2.gz CCJFXVZYMXOVFB-ISALQUGTSA-N 1 3 270.377 -0.665 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220807208 825103906 /nfs/dbraw/zinc/10/39/06/825103906.db2.gz CXDJELURSNIKCQ-VIFPVBQESA-N 1 3 264.320 -0.490 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001163821797 819854036 /nfs/dbraw/zinc/85/40/36/819854036.db2.gz QFNCIBOJCDTVGF-LLVKDONJSA-N 1 3 282.388 -0.558 20 0 CBADHO [NH3+]CCN(CCO)c1ccc2c(c1)COC21CNC1 ZINC001163835710 819857501 /nfs/dbraw/zinc/85/75/01/819857501.db2.gz BFGMBDFSRIHXPN-UHFFFAOYSA-N 1 3 263.341 -0.227 20 0 CBADHO Cc1cc(CN)nn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001163977482 819878628 /nfs/dbraw/zinc/87/86/28/819878628.db2.gz CUXZLOOUIJQJGF-UHFFFAOYSA-N 1 3 273.344 -0.161 20 0 CBADHO c1c2c(nnc1N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CCNC2 ZINC001165291950 819949226 /nfs/dbraw/zinc/94/92/26/819949226.db2.gz HRLCDJPRMUTOOP-BXUZGUMPSA-N 1 3 289.383 -0.063 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004843 819987988 /nfs/dbraw/zinc/98/79/88/819987988.db2.gz ZZPZGIITIYGUGQ-CYBMUJFWSA-N 1 3 286.420 -0.195 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001166004317 819988023 /nfs/dbraw/zinc/98/80/23/819988023.db2.gz KRBYROFMQJJGEG-CYBMUJFWSA-N 1 3 286.420 -0.243 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001166626464 820009964 /nfs/dbraw/zinc/00/99/64/820009964.db2.gz GTVUJBJUUCRWRR-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001166634268 820010674 /nfs/dbraw/zinc/01/06/74/820010674.db2.gz RPGZESQLJPBDIT-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166677802 820013484 /nfs/dbraw/zinc/01/34/84/820013484.db2.gz NKESSIQMJYXAGQ-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001166676647 820013936 /nfs/dbraw/zinc/01/39/36/820013936.db2.gz AJUDTIDPJQPVPF-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678133 820014432 /nfs/dbraw/zinc/01/44/32/820014432.db2.gz SWAWYXZQWSGAAD-CHWSQXEVSA-N 1 3 287.404 -0.569 20 0 CBADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001166678511 820016740 /nfs/dbraw/zinc/01/67/40/820016740.db2.gz WAJOAFPCXOWWHH-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001166857981 820042198 /nfs/dbraw/zinc/04/21/98/820042198.db2.gz IZZNYSWRXONJKD-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)C)N(C)C ZINC001166857985 820042409 /nfs/dbraw/zinc/04/24/09/820042409.db2.gz JBLLACKFOPFNJL-LBPRGKRZSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001167258274 820077169 /nfs/dbraw/zinc/07/71/69/820077169.db2.gz WGWGMUIUCJQXGZ-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1-c1cc2c(nn1)CNC2 ZINC001167672118 820110620 /nfs/dbraw/zinc/11/06/20/820110620.db2.gz GFFVWCKXLOSWFE-UHFFFAOYSA-N 1 3 257.301 -0.488 20 0 CBADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167815036 820121541 /nfs/dbraw/zinc/12/15/41/820121541.db2.gz MOMGJJNJQBRHCV-UHFFFAOYSA-N 1 3 284.404 -0.310 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001168755240 820173634 /nfs/dbraw/zinc/17/36/34/820173634.db2.gz JRQHFKNYQKBACZ-UHFFFAOYSA-N 1 3 286.420 -0.051 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001168762667 820181112 /nfs/dbraw/zinc/18/11/12/820181112.db2.gz FZORCVSRVIFFOA-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO NCc1nnnn1-c1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001168918373 820190268 /nfs/dbraw/zinc/19/02/68/820190268.db2.gz XBWRWBAACOTKOV-UHFFFAOYSA-N 1 3 299.342 -0.141 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1cccnc1OC1CNC1 ZINC001168989681 820200212 /nfs/dbraw/zinc/20/02/12/820200212.db2.gz PTCWLVYMXUMPLI-UHFFFAOYSA-N 1 3 274.328 -0.177 20 0 CBADHO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c(n1)OCCNC2 ZINC001169071200 820203597 /nfs/dbraw/zinc/20/35/97/820203597.db2.gz HGNQKTAYDRYROC-LLVKDONJSA-N 1 3 289.339 -0.389 20 0 CBADHO CC[NH+]1CCC(NCCN2C(=O)C=CC2=O)CC1 ZINC001169225313 820214062 /nfs/dbraw/zinc/21/40/62/820214062.db2.gz SBTASTCONLQGDM-UHFFFAOYSA-N 1 3 251.330 -0.015 20 0 CBADHO COC(=O)[C@H](C[NH3+])CN[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512188 820296803 /nfs/dbraw/zinc/29/68/03/820296803.db2.gz IHZTVCDSMGJSHN-BBBLOLIVSA-N 1 3 258.318 -0.334 20 0 CBADHO C[C@@H](Nc1ccnc(N2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001170557942 820305319 /nfs/dbraw/zinc/30/53/19/820305319.db2.gz JEYJQPODCWIEKA-VXGBXAGGSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@H](Nc1nccnc1N1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001170558027 820305622 /nfs/dbraw/zinc/30/56/22/820305622.db2.gz KEGAOWNEGIZQIR-NWDGAFQWSA-N 1 3 292.387 -0.325 20 0 CBADHO C[C@@H](Nc1nccc(N2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001170557518 820305764 /nfs/dbraw/zinc/30/57/64/820305764.db2.gz CKBWQPWMNAQMSS-VXGBXAGGSA-N 1 3 292.387 -0.325 20 0 CBADHO COC(=O)c1coc(=O)c(N[C@@H](N)CCC[NH3+])c1 ZINC001170900025 820335025 /nfs/dbraw/zinc/33/50/25/820335025.db2.gz OJKPJACQMRNDCC-SECBINFHSA-N 1 3 255.274 -0.138 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CCOCCO ZINC001171762424 820368946 /nfs/dbraw/zinc/36/89/46/820368946.db2.gz DJLBYFJHSXSZBG-UHFFFAOYSA-N 1 3 275.393 -0.567 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001171757287 820371272 /nfs/dbraw/zinc/37/12/72/820371272.db2.gz HQSCNVGSPGOFSD-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO [NH3+]CCN1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172148577 820384248 /nfs/dbraw/zinc/38/42/48/820384248.db2.gz AVCJCQUOAFXLSR-QWHCGFSZSA-N 1 3 266.389 -0.284 20 0 CBADHO Cn1ccc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176072458 820438911 /nfs/dbraw/zinc/43/89/11/820438911.db2.gz UVTWBMMJBWUCLY-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1ccc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176072458 820438915 /nfs/dbraw/zinc/43/89/15/820438915.db2.gz UVTWBMMJBWUCLY-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001176975254 820485532 /nfs/dbraw/zinc/48/55/32/820485532.db2.gz NQNBDUNZUQIBIY-UHFFFAOYSA-N 1 3 282.392 -0.286 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176986452 820486999 /nfs/dbraw/zinc/48/69/99/820486999.db2.gz OTWZNONLQJDHDP-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431037 820626915 /nfs/dbraw/zinc/62/69/15/820626915.db2.gz MPEHURQYCXEQON-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(N)=O ZINC001179481138 820629866 /nfs/dbraw/zinc/62/98/66/820629866.db2.gz CJJFKRIOEFWSGF-VWYCJHECSA-N 1 3 270.377 -0.609 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482876 820630508 /nfs/dbraw/zinc/63/05/08/820630508.db2.gz ZHVJUUSWAIFBKY-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001179744193 820639336 /nfs/dbraw/zinc/63/93/36/820639336.db2.gz HFMGDZXYMYKVQB-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924933 820645975 /nfs/dbraw/zinc/64/59/75/820645975.db2.gz HLYOVVJFRGUPGI-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924933 820645982 /nfs/dbraw/zinc/64/59/82/820645982.db2.gz HLYOVVJFRGUPGI-AVGNSLFASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001180638124 820704997 /nfs/dbraw/zinc/70/49/97/820704997.db2.gz BROMPSVAIVEKBE-LLVKDONJSA-N 1 3 297.403 -0.081 20 0 CBADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652617 820806115 /nfs/dbraw/zinc/80/61/15/820806115.db2.gz NNKPFPQMKASWRT-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(=O)[nH]n1 ZINC001181714513 820817156 /nfs/dbraw/zinc/81/71/56/820817156.db2.gz JDXBYKXFJKAFQE-VIFPVBQESA-N 1 3 280.332 -0.033 20 0 CBADHO CN1CCC(O)(C(=O)N2CCOC[C@H]2C[NH+](C)C)CC1 ZINC001182035143 820858786 /nfs/dbraw/zinc/85/87/86/820858786.db2.gz ZTULENFCNOMZNM-GFCCVEGCSA-N 1 3 285.388 -0.768 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182615738 820931298 /nfs/dbraw/zinc/93/12/98/820931298.db2.gz NSCWIUTVMVCQRF-OLZOCXBDSA-N 1 3 294.399 -0.735 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183039899 820968710 /nfs/dbraw/zinc/96/87/10/820968710.db2.gz KRZFDEMKPBFKSV-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183039899 820968714 /nfs/dbraw/zinc/96/87/14/820968714.db2.gz KRZFDEMKPBFKSV-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)[NH+](C)C ZINC001183437194 820994346 /nfs/dbraw/zinc/99/43/46/820994346.db2.gz SYTQOMUNRXMOGR-OCCSQVGLSA-N 1 3 298.431 -0.149 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1)N(C)C ZINC001183582079 821008223 /nfs/dbraw/zinc/00/82/23/821008223.db2.gz RQGIZGPYLNETLX-IJLUTSLNSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183759199 821032670 /nfs/dbraw/zinc/03/26/70/821032670.db2.gz HCZQTQILWZYUKC-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183759199 821032682 /nfs/dbraw/zinc/03/26/82/821032682.db2.gz HCZQTQILWZYUKC-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC001185230436 821104171 /nfs/dbraw/zinc/10/41/71/821104171.db2.gz SCTSRQZHDVGEMD-SNVBAGLBSA-N 1 3 268.361 -0.996 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248455 821110296 /nfs/dbraw/zinc/11/02/96/821110296.db2.gz GJNBCVWAMXNSHH-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185249520 821112917 /nfs/dbraw/zinc/11/29/17/821112917.db2.gz ZFUFJSFVJHTGRP-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265998 821118772 /nfs/dbraw/zinc/11/87/72/821118772.db2.gz WPKALZWSCIMBJJ-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385266 821126730 /nfs/dbraw/zinc/12/67/30/821126730.db2.gz NQQGZROIZYNOBJ-GFCCVEGCSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185416460 821129253 /nfs/dbraw/zinc/12/92/53/821129253.db2.gz WCXYZCJORXMZSQ-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001185407961 821129546 /nfs/dbraw/zinc/12/95/46/821129546.db2.gz IFRMGIZUDZHHNC-GHMZBOCLSA-N 1 3 268.361 -0.983 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001185716193 821140458 /nfs/dbraw/zinc/14/04/58/821140458.db2.gz RQGIZGPYLNETLX-TUAOUCFPSA-N 1 3 284.404 -0.348 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186487216 821183707 /nfs/dbraw/zinc/18/37/07/821183707.db2.gz IHLLEKHPWLKUIF-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001186487588 821184276 /nfs/dbraw/zinc/18/42/76/821184276.db2.gz JMAHRSLAXBDSBU-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107032 821212654 /nfs/dbraw/zinc/21/26/54/821212654.db2.gz SQLQEJRFTTZUOP-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107032 821212663 /nfs/dbraw/zinc/21/26/63/821212663.db2.gz SQLQEJRFTTZUOP-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121126 821212914 /nfs/dbraw/zinc/21/29/14/821212914.db2.gz DPSGOEODQXKYPM-LLVKDONJSA-N 1 3 280.372 -0.981 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107031 821213296 /nfs/dbraw/zinc/21/32/96/821213296.db2.gz SQLQEJRFTTZUOP-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107031 821213304 /nfs/dbraw/zinc/21/33/04/821213304.db2.gz SQLQEJRFTTZUOP-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187221153 821218385 /nfs/dbraw/zinc/21/83/85/821218385.db2.gz TYKRYLMMERAUDH-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231510 821220401 /nfs/dbraw/zinc/22/04/01/821220401.db2.gz NDEQLVJOYAQGPZ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCCF)CC[N@@H+]1C ZINC001279717225 828334971 /nfs/dbraw/zinc/33/49/71/828334971.db2.gz KXCKAWLSHZLLJW-VXGBXAGGSA-N 1 3 275.368 -0.293 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCCF)CC[N@H+]1C ZINC001279717225 828334980 /nfs/dbraw/zinc/33/49/80/828334980.db2.gz KXCKAWLSHZLLJW-VXGBXAGGSA-N 1 3 275.368 -0.293 20 0 CBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001280595720 828364807 /nfs/dbraw/zinc/36/48/07/828364807.db2.gz OQHHQMBYFXWBAH-AWEZNQCLSA-N 1 3 299.415 -0.330 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001187284121 822262538 /nfs/dbraw/zinc/26/25/38/822262538.db2.gz GQDDRBWVIFPFNT-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001187284378 822263824 /nfs/dbraw/zinc/26/38/24/822263824.db2.gz SGIXKIGFYMDIAK-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818369 822297338 /nfs/dbraw/zinc/29/73/38/822297338.db2.gz NUPFXKQAWMORLG-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818369 822297349 /nfs/dbraw/zinc/29/73/49/822297349.db2.gz NUPFXKQAWMORLG-NWDGAFQWSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818370 822297773 /nfs/dbraw/zinc/29/77/73/822297773.db2.gz NUPFXKQAWMORLG-VXGBXAGGSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818370 822297779 /nfs/dbraw/zinc/29/77/79/822297779.db2.gz NUPFXKQAWMORLG-VXGBXAGGSA-N 1 3 282.388 -0.783 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843137 822300265 /nfs/dbraw/zinc/30/02/65/822300265.db2.gz VDBJNEBKVXCLIX-CHWSQXEVSA-N 1 3 285.388 -0.720 20 0 CBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187843225 822301472 /nfs/dbraw/zinc/30/14/72/822301472.db2.gz XYYFKCHIAIZCPT-CYBMUJFWSA-N 1 3 285.388 -0.718 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098787 822319598 /nfs/dbraw/zinc/31/95/98/822319598.db2.gz DXIKFKOLAXQVIB-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106365 822320891 /nfs/dbraw/zinc/32/08/91/822320891.db2.gz HYCVLIHNPLHBFG-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO Cc1nccc(C(=O)N(CCCC[NH3+])C(=N)N)n1 ZINC001188180571 822322497 /nfs/dbraw/zinc/32/24/97/822322497.db2.gz BRNYJJABCLJHCP-UHFFFAOYSA-N 1 3 250.306 -0.140 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001188158905 822323321 /nfs/dbraw/zinc/32/33/21/822323321.db2.gz ZNVNVIKSIBZTIP-WDEREUQCSA-N 1 3 270.377 -0.609 20 0 CBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCO ZINC001282230227 828439807 /nfs/dbraw/zinc/43/98/07/828439807.db2.gz VDKGIRNUJGYIHX-IUCAKERBSA-N 1 3 254.334 -0.264 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cncnc1N ZINC001189122488 823738406 /nfs/dbraw/zinc/73/84/06/823738406.db2.gz UNEPXXPZZAVPPZ-UHFFFAOYSA-N 1 3 279.348 -0.264 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC001283941368 828560957 /nfs/dbraw/zinc/56/09/57/828560957.db2.gz XEGFFZDZBABGIZ-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171106 823956254 /nfs/dbraw/zinc/95/62/54/823956254.db2.gz UDNPKOJVTNRPQJ-CYBMUJFWSA-N 1 3 294.403 -0.238 20 0 CBADHO CN(CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002304 824054571 /nfs/dbraw/zinc/05/45/71/824054571.db2.gz QZCUHCFRKQQOPJ-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO CN(CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002304 824054573 /nfs/dbraw/zinc/05/45/73/824054573.db2.gz QZCUHCFRKQQOPJ-KGLIPLIRSA-N 1 3 299.415 -0.520 20 0 CBADHO CN(CCOCCO)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002299 824054883 /nfs/dbraw/zinc/05/48/83/824054883.db2.gz QZCUHCFRKQQOPJ-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO CN(CCOCCO)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002299 824054889 /nfs/dbraw/zinc/05/48/89/824054889.db2.gz QZCUHCFRKQQOPJ-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1csc(CO)n1 ZINC001196383464 824159326 /nfs/dbraw/zinc/15/93/26/824159326.db2.gz DYGMTPYWDSDWFH-UHFFFAOYSA-N 1 3 271.346 -0.290 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001197492959 824192603 /nfs/dbraw/zinc/19/26/03/824192603.db2.gz BTAVCYJWSKFUQS-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001197492959 824192605 /nfs/dbraw/zinc/19/26/05/824192605.db2.gz BTAVCYJWSKFUQS-VXGBXAGGSA-N 1 3 257.378 -0.102 20 0 CBADHO COCCn1nc(C)cc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001198094721 824218227 /nfs/dbraw/zinc/21/82/27/824218227.db2.gz QGSXECCWLCAKBW-UHFFFAOYSA-N 1 3 296.375 -0.088 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787738 824287625 /nfs/dbraw/zinc/28/76/25/824287625.db2.gz DAGJCOSOJGTXRQ-UONOGXRCSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CC1 ZINC001200696170 824324646 /nfs/dbraw/zinc/32/46/46/824324646.db2.gz JIFGAQRZCYYKEO-KBPBESRZSA-N 1 3 299.415 -0.474 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201404319 824331918 /nfs/dbraw/zinc/33/19/18/824331918.db2.gz UMIXQRVCDSAKLD-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001201411505 824331984 /nfs/dbraw/zinc/33/19/84/824331984.db2.gz SDNGSJLBBCWVNA-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001201402086 824332210 /nfs/dbraw/zinc/33/22/10/824332210.db2.gz ANIXLXYIRZGBBM-KGLIPLIRSA-N 1 3 299.415 -0.472 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001203791238 824362925 /nfs/dbraw/zinc/36/29/25/824362925.db2.gz FOZVYBUUADLKTA-VXGBXAGGSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001203925900 824363818 /nfs/dbraw/zinc/36/38/18/824363818.db2.gz YKRIRQHPMGVJHH-ZDUSSCGKSA-N 1 3 296.415 -0.204 20 0 CBADHO Cn1cc(CN2CCC[C@H]([NH3+])CC2)c(=O)n(C)c1=O ZINC001205116788 824374571 /nfs/dbraw/zinc/37/45/71/824374571.db2.gz IFDLMOIOEGZMBJ-NSHDSACASA-N 1 3 266.345 -0.603 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC(N)=O)CC1)N(C)C ZINC001205490376 824379154 /nfs/dbraw/zinc/37/91/54/824379154.db2.gz CMYDGUHGUJKQFL-AWEZNQCLSA-N 1 3 298.431 -0.114 20 0 CBADHO [NH3+]C[C@@]1(O)CCCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205690690 824380776 /nfs/dbraw/zinc/38/07/76/824380776.db2.gz WUDIKFNUBFGTMG-LBPRGKRZSA-N 1 3 268.317 -0.437 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCO)CC1 ZINC001206411508 824397827 /nfs/dbraw/zinc/39/78/27/824397827.db2.gz SXFWAJKFPWOASX-UHFFFAOYSA-N 1 3 266.345 -0.227 20 0 CBADHO NC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929022 824413186 /nfs/dbraw/zinc/41/31/86/824413186.db2.gz RBUYHSYXZIFAAT-UHFFFAOYSA-N 1 3 282.388 -0.604 20 0 CBADHO c1ncnc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC001207441429 824427941 /nfs/dbraw/zinc/42/79/41/824427941.db2.gz BNZHNTOBACWOTL-UHFFFAOYSA-N 1 3 262.361 -0.007 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335672 824450280 /nfs/dbraw/zinc/45/02/80/824450280.db2.gz XYNLMJOXNMYGPB-GXTWGEPZSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328823 824450830 /nfs/dbraw/zinc/45/08/30/824450830.db2.gz INSHLAQJPBYQRR-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315541 824469055 /nfs/dbraw/zinc/46/90/55/824469055.db2.gz QVHLOFJEBRLFKD-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420037 824470550 /nfs/dbraw/zinc/47/05/50/824470550.db2.gz RFANDZIDGUEDTP-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001209454583 824471698 /nfs/dbraw/zinc/47/16/98/824471698.db2.gz MHKOOAWWOCFQDH-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209641335 824474227 /nfs/dbraw/zinc/47/42/27/824474227.db2.gz IPWRGQLMTDITFK-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209641338 824474360 /nfs/dbraw/zinc/47/43/60/824474360.db2.gz IPWRGQLMTDITFK-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855570 824536622 /nfs/dbraw/zinc/53/66/22/824536622.db2.gz GUJSSKANZMRCEZ-QKCSRTOESA-N 1 3 296.415 -0.491 20 0 CBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001215421937 824541566 /nfs/dbraw/zinc/54/15/66/824541566.db2.gz RHULZGWTHBVPLR-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460624 824542366 /nfs/dbraw/zinc/54/23/66/824542366.db2.gz BHTLOZPGLCBBRK-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001216001662 824544844 /nfs/dbraw/zinc/54/48/44/824544844.db2.gz HQIWXXSXWLHPEZ-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750148 824549512 /nfs/dbraw/zinc/54/95/12/824549512.db2.gz RCXFOZHOASJILZ-IJLUTSLNSA-N 1 3 282.388 -0.879 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750148 824549517 /nfs/dbraw/zinc/54/95/17/824549517.db2.gz RCXFOZHOASJILZ-IJLUTSLNSA-N 1 3 282.388 -0.879 20 0 CBADHO Cn1cnc(NC(=O)[C@@H](N)CCC[NH3+])c2ncnc1-2 ZINC001218495260 824568554 /nfs/dbraw/zinc/56/85/54/824568554.db2.gz MDNVNEAGCXXBFJ-ZETCQYMHSA-N 1 3 263.305 -0.680 20 0 CBADHO COc1nn(C)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218503482 824573752 /nfs/dbraw/zinc/57/37/52/824573752.db2.gz BIHCTASLYJTOFA-MRVPVSSYSA-N 1 3 265.317 -0.824 20 0 CBADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218512012 824577318 /nfs/dbraw/zinc/57/73/18/824577318.db2.gz FVOVDMXBOPELGZ-MRVPVSSYSA-N 1 3 283.332 -0.100 20 0 CBADHO N[C@H](C(=O)Nc1ncnc2n[nH]nc21)C1CC[NH2+]CC1 ZINC001218515210 824578563 /nfs/dbraw/zinc/57/85/63/824578563.db2.gz COYXSLNMQPLYNT-ZETCQYMHSA-N 1 3 276.304 -0.987 20 0 CBADHO Cc1cc(O)cnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218517909 824581219 /nfs/dbraw/zinc/58/12/19/824581219.db2.gz JNFPBJYCNIALCF-JTQLQIEISA-N 1 3 262.313 -0.157 20 0 CBADHO COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ncn1 ZINC001218536838 824587129 /nfs/dbraw/zinc/58/71/29/824587129.db2.gz YPQMHKZWYMSKBT-NOZJJQNGSA-N 1 3 277.328 -0.377 20 0 CBADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH3+])ncn1 ZINC001218536467 824587287 /nfs/dbraw/zinc/58/72/87/824587287.db2.gz VDPQJSVDUZENSB-QMMMGPOBSA-N 1 3 253.306 -0.120 20 0 CBADHO CCOC(=O)c1cc[nH]c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218541261 824587393 /nfs/dbraw/zinc/58/73/93/824587393.db2.gz PVUJPSXTUQNYMG-JTQLQIEISA-N 1 3 292.339 -0.061 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218549293 824588544 /nfs/dbraw/zinc/58/85/44/824588544.db2.gz GRESYQUKGNBLKD-MRVPVSSYSA-N 1 3 293.327 -0.666 20 0 CBADHO O=C(Nc1cccnc1F)[C@H]1C[NH2+]CC12CNC2 ZINC001218544189 824588756 /nfs/dbraw/zinc/58/87/56/824588756.db2.gz ISYBXOGEKSTJOP-MRVPVSSYSA-N 1 3 250.277 -0.032 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218554204 824590544 /nfs/dbraw/zinc/59/05/44/824590544.db2.gz IETABEGOIOSNSA-SNVBAGLBSA-N 1 3 295.343 -0.148 20 0 CBADHO Cn1ncc2c1ncnc2NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218557443 824590551 /nfs/dbraw/zinc/59/05/51/824590551.db2.gz SFMMXXDLLPWONF-JTQLQIEISA-N 1 3 289.343 -0.371 20 0 CBADHO O=C(Nc1ncnc2[nH]ccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218560405 824591052 /nfs/dbraw/zinc/59/10/52/824591052.db2.gz YCEVXOIZTGBVII-SECBINFHSA-N 1 3 272.312 -0.295 20 0 CBADHO Cc1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218573351 824595900 /nfs/dbraw/zinc/59/59/00/824595900.db2.gz KJYPMFBKISDGDD-ZWNOBZJWSA-N 1 3 261.329 -0.077 20 0 CBADHO COc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)no1 ZINC001218574717 824597006 /nfs/dbraw/zinc/59/70/06/824597006.db2.gz ZFOPDQGKUKBLLE-JTQLQIEISA-N 1 3 254.290 -0.051 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001218579798 824599296 /nfs/dbraw/zinc/59/92/96/824599296.db2.gz LJBAXQIFJAWCQM-LLVKDONJSA-N 1 3 293.327 -0.471 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218604827 824601568 /nfs/dbraw/zinc/60/15/68/824601568.db2.gz WLTUMBUOTTVHRW-JTQLQIEISA-N 1 3 267.308 -0.344 20 0 CBADHO N=c1ccc(F)c(N)n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218604919 824601655 /nfs/dbraw/zinc/60/16/55/824601655.db2.gz YEARFQIGJKQOIG-AMIZOPFISA-N 1 3 279.319 -0.472 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218622942 824605892 /nfs/dbraw/zinc/60/58/92/824605892.db2.gz ZEHWDZVFZKCSHC-JMCQJSRRSA-N 1 3 296.762 -0.563 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218622890 824606039 /nfs/dbraw/zinc/60/60/39/824606039.db2.gz YJFICIRIWHUFIA-QMMMGPOBSA-N 1 3 284.751 -0.435 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@H](N)CCC[NH3+] ZINC001218622929 824606245 /nfs/dbraw/zinc/60/62/45/824606245.db2.gz YXSHITUEYHAXIE-RXMQYKEDSA-N 1 3 258.713 -0.695 20 0 CBADHO Nc1cnc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001218623159 824606363 /nfs/dbraw/zinc/60/63/63/824606363.db2.gz AUJFKYJMOWMMTP-SNVBAGLBSA-N 1 3 250.306 -0.676 20 0 CBADHO COC(=O)c1scnc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218624533 824606956 /nfs/dbraw/zinc/60/69/56/824606956.db2.gz LDKGRGSXOKJBNX-ZCFIWIBFSA-N 1 3 272.330 -0.066 20 0 CBADHO Cc1ncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)nc1C ZINC001218623721 824607578 /nfs/dbraw/zinc/60/75/78/824607578.db2.gz BBLMBJCDNBDQCB-SNVBAGLBSA-N 1 3 261.329 -0.159 20 0 CBADHO COc1nc(Cl)ncc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218634769 824610172 /nfs/dbraw/zinc/61/01/72/824610172.db2.gz NGJZVUFCMRJPGB-SSDOTTSWSA-N 1 3 297.746 -0.114 20 0 CBADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCC[NH3+])cn1C ZINC001218632254 824610290 /nfs/dbraw/zinc/61/02/90/824610290.db2.gz QUZLZPFXXZXOHD-VIFPVBQESA-N 1 3 268.317 -0.184 20 0 CBADHO CCOC(=O)c1cc(NC(=O)[C@@H](N)CCCC[NH3+])n(C)n1 ZINC001218636825 824612129 /nfs/dbraw/zinc/61/21/29/824612129.db2.gz JLMKUAVSNJUULU-VIFPVBQESA-N 1 3 297.359 -0.008 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218640008 824613047 /nfs/dbraw/zinc/61/30/47/824613047.db2.gz KURCUDVCPCQXQZ-QMMMGPOBSA-N 1 3 293.327 -0.748 20 0 CBADHO O=C(Nc1noc2cnccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218646417 824613724 /nfs/dbraw/zinc/61/37/24/824613724.db2.gz PSGUXNBTQZNDHT-VIFPVBQESA-N 1 3 273.296 -0.030 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218651683 824615604 /nfs/dbraw/zinc/61/56/04/824615604.db2.gz CJANZXZAILWBTE-ZCFIWIBFSA-N 1 3 282.735 -0.540 20 0 CBADHO CC(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)ccn1 ZINC001218650811 824616212 /nfs/dbraw/zinc/61/62/12/824616212.db2.gz YNVPHFRNNTYHKF-LLVKDONJSA-N 1 3 289.339 -0.213 20 0 CBADHO CNc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218654140 824616648 /nfs/dbraw/zinc/61/66/48/824616648.db2.gz FCMIQERMABGJEL-JTQLQIEISA-N 1 3 261.329 -0.129 20 0 CBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218679166 824621015 /nfs/dbraw/zinc/62/10/15/824621015.db2.gz OYMKIGQZNLJAOW-AMIZOPFISA-N 1 3 277.328 -0.493 20 0 CBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218679524 824621450 /nfs/dbraw/zinc/62/14/50/824621450.db2.gz URPGIDRPKHYOQE-SSDOTTSWSA-N 1 3 263.301 -0.883 20 0 CBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218678161 824621483 /nfs/dbraw/zinc/62/14/83/824621483.db2.gz FWUZZRRIILUDEN-VIFPVBQESA-N 1 3 265.317 -0.365 20 0 CBADHO Cn1nncc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218699755 824623944 /nfs/dbraw/zinc/62/39/44/824623944.db2.gz FLUJDSSMXQWAFR-VIFPVBQESA-N 1 3 254.338 -0.187 20 0 CBADHO NC(=O)c1cnoc1[N-]C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218702797 824624676 /nfs/dbraw/zinc/62/46/76/824624676.db2.gz WSYGXGOJPJOXQQ-QMMMGPOBSA-N 1 3 267.289 -0.961 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1cncc(C[NH3+])c1 ZINC001218705590 824626384 /nfs/dbraw/zinc/62/63/84/824626384.db2.gz VMHHOCVZBBHJGM-ZANVPECISA-N 1 3 293.371 -0.032 20 0 CBADHO CCOC(=O)c1nc(NC(=O)[C@@H](N)CCC[NH3+])cn1C ZINC001218707968 824626445 /nfs/dbraw/zinc/62/64/45/824626445.db2.gz WGOIJJPIBVLABV-QMMMGPOBSA-N 1 3 283.332 -0.399 20 0 CBADHO O=C(CN1CC[NH2+]CC1)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710451 824627316 /nfs/dbraw/zinc/62/73/16/824627316.db2.gz FWHHALRZUQWTGQ-JTQLQIEISA-N 1 3 279.344 -0.057 20 0 CBADHO COC[C@@H](C)Oc1cc(NC(=O)[C@H](N)CCC[NH3+])[nH]n1 ZINC001218718007 824627596 /nfs/dbraw/zinc/62/75/96/824627596.db2.gz BKFIKMGTXHOTOF-RKDXNWHRSA-N 1 3 285.348 -0.172 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218713113 824627737 /nfs/dbraw/zinc/62/77/37/824627737.db2.gz QRHLHDVPGWIVKV-BFVZDQMLSA-N 1 3 291.355 -0.011 20 0 CBADHO COc1cnc(Cl)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218720395 824628707 /nfs/dbraw/zinc/62/87/07/824628707.db2.gz IBYGSIHZCJQZFK-ZETCQYMHSA-N 1 3 297.746 -0.114 20 0 CBADHO CCN(C)c1ncc(NC(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001218741469 824630752 /nfs/dbraw/zinc/63/07/52/824630752.db2.gz WBFNSTRUPNCSOG-JTQLQIEISA-N 1 3 266.349 -0.063 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218742379 824631720 /nfs/dbraw/zinc/63/17/20/824631720.db2.gz XLGGZOOHDVPZDJ-CYBMUJFWSA-N 1 3 277.372 -0.042 20 0 CBADHO O=C(Nc1cnc2nccn2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218784492 824637489 /nfs/dbraw/zinc/63/74/89/824637489.db2.gz LEXYLAQZCQTGAY-SNVBAGLBSA-N 1 3 272.312 -0.523 20 0 CBADHO O=C(Nc1ncccc1CCO)[C@@H]1C[NH2+]CC12CNC2 ZINC001218792020 824638908 /nfs/dbraw/zinc/63/89/08/824638908.db2.gz GXTHDCSCECRKGZ-NSHDSACASA-N 1 3 276.340 -0.636 20 0 CBADHO O=C(Nc1cnn2c1OCCC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218794671 824640689 /nfs/dbraw/zinc/64/06/89/824640689.db2.gz UAXDAMVHTAIYRO-VIFPVBQESA-N 1 3 277.328 -0.587 20 0 CBADHO Nc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(CCO)c1 ZINC001218917962 824647386 /nfs/dbraw/zinc/64/73/86/824647386.db2.gz DZVGIGRNICDDGT-LBPRGKRZSA-N 1 3 290.367 -0.449 20 0 CBADHO O=C(Nc1ccc(CO)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219051232 824653804 /nfs/dbraw/zinc/65/38/04/824653804.db2.gz WEDXNPDZHFAOGA-GFCCVEGCSA-N 1 3 261.325 -0.074 20 0 CBADHO [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219030030 824654487 /nfs/dbraw/zinc/65/44/87/824654487.db2.gz ZUUWLXYYTBOJOZ-JQWIXIFHSA-N 1 3 276.340 -0.204 20 0 CBADHO NC[C@H](N)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233378 824679363 /nfs/dbraw/zinc/67/93/63/824679363.db2.gz NBQOJVNQXKTBSY-MFKMUULPSA-N 1 3 277.372 -0.161 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593753 824738965 /nfs/dbraw/zinc/73/89/65/824738965.db2.gz HIBHUZNSGMWALP-RKDXNWHRSA-N 1 3 263.363 -0.879 20 0 CBADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001219555794 824728635 /nfs/dbraw/zinc/72/86/35/824728635.db2.gz SDHMWUSNHXYDDZ-DYZYQPBXSA-N 1 3 263.407 -0.460 20 0 CBADHO Cc1cccnc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219563700 824730078 /nfs/dbraw/zinc/73/00/78/824730078.db2.gz IMLRCLKYOQKCJX-LLVKDONJSA-N 1 3 260.341 -0.185 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCCN1CCCCC1=O ZINC001219569229 824732353 /nfs/dbraw/zinc/73/23/53/824732353.db2.gz HVXOQJLXBBZFOQ-NSHDSACASA-N 1 3 270.377 -0.429 20 0 CBADHO Cn1ccnc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219565746 824732365 /nfs/dbraw/zinc/73/23/65/824732365.db2.gz NQEGFPOYHOJAML-LLVKDONJSA-N 1 3 251.334 -0.637 20 0 CBADHO O=C(NCCn1ccnc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219564318 824733458 /nfs/dbraw/zinc/73/34/58/824733458.db2.gz XXSXIWFZAGKVGE-GFCCVEGCSA-N 1 3 277.372 -0.127 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586880 824736480 /nfs/dbraw/zinc/73/64/80/824736480.db2.gz HUYHDUKPNJVCLL-ZPFDUUQYSA-N 1 3 284.404 -0.267 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)C[NH2+]1 ZINC001219586882 824737858 /nfs/dbraw/zinc/73/78/58/824737858.db2.gz HVRSRZZSQNOXRC-JFEPYHJCSA-N 1 3 261.391 -0.661 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587017 824738223 /nfs/dbraw/zinc/73/82/23/824738223.db2.gz NNYWYMLYNGRSMO-BJDJZHNGSA-N 1 3 282.388 -0.419 20 0 CBADHO Cc1ccnc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001219600196 824740448 /nfs/dbraw/zinc/74/04/48/824740448.db2.gz KVQZDRKQMZWLFJ-LBPRGKRZSA-N 1 3 263.345 -0.272 20 0 CBADHO Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)no1 ZINC001219604512 824850185 /nfs/dbraw/zinc/85/01/85/824850185.db2.gz QGMOENZOTIAFJI-ZWNOBZJWSA-N 1 3 264.329 -0.202 20 0 CBADHO O=C(NC[C@@H](O)c1ccco1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219604483 824850231 /nfs/dbraw/zinc/85/02/31/824850231.db2.gz PUJFDIFRXWUEQD-JTNHKYCSSA-N 1 3 279.340 -0.372 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CNCc3ccnn3C2)C1 ZINC001219639122 824867698 /nfs/dbraw/zinc/86/76/98/824867698.db2.gz VLJIXSNGHCDMRK-AVGNSLFASA-N 1 3 291.399 -0.036 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCNC(N)=O)C1 ZINC001219641926 824870599 /nfs/dbraw/zinc/87/05/99/824870599.db2.gz MZJJBTTYQHWYNH-AXFHLTTASA-N 1 3 285.392 -0.876 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC3(CNC3)O2)C1 ZINC001219642787 824871408 /nfs/dbraw/zinc/87/14/08/824871408.db2.gz XTEAFEGDZMISEY-TUAOUCFPSA-N 1 3 267.373 -0.131 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2(O)CCN(C)CC2)C1 ZINC001219646392 824871981 /nfs/dbraw/zinc/87/19/81/824871981.db2.gz SJSQOIRNASRBKY-NWDGAFQWSA-N 1 3 269.389 -0.195 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649485 824873627 /nfs/dbraw/zinc/87/36/27/824873627.db2.gz JYBPKBCFYIPEKU-RVMXOQNASA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219649487 824873764 /nfs/dbraw/zinc/87/37/64/824873764.db2.gz JYBPKBCFYIPEKU-XQHKEYJVSA-N 1 3 296.415 -0.314 20 0 CBADHO Cc1cc(C)c(CNC(=O)[C@H]2C[NH2+]CC23CNC3)c(=O)[nH]1 ZINC001219688934 824879840 /nfs/dbraw/zinc/87/98/40/824879840.db2.gz ADZANPMAEAAKCP-GFCCVEGCSA-N 1 3 290.367 -0.171 20 0 CBADHO N[C@@H](Cc1cccc(O)c1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697734 824881307 /nfs/dbraw/zinc/88/13/07/824881307.db2.gz XJPNBHJUUSINHB-LBPRGKRZSA-N 1 3 279.340 -0.897 20 0 CBADHO CCOC(=O)CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219693044 824882210 /nfs/dbraw/zinc/88/22/10/824882210.db2.gz MMMSXZHHTSNEKI-LLVKDONJSA-N 1 3 257.334 -0.617 20 0 CBADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@@H](F)CCN1 ZINC001219737307 824887783 /nfs/dbraw/zinc/88/77/83/824887783.db2.gz SOXGVLGPHJMKEO-AXFHLTTASA-N 1 3 271.336 -0.429 20 0 CBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@@H](F)CCN1 ZINC001219737308 824887920 /nfs/dbraw/zinc/88/79/20/824887920.db2.gz SOXGVLGPHJMKEO-DCAQKATOSA-N 1 3 271.336 -0.429 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769151 824891848 /nfs/dbraw/zinc/89/18/48/824891848.db2.gz SZSPKNZKMJVJAJ-XUPINFNUSA-N 1 3 279.381 -0.710 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779697 824894413 /nfs/dbraw/zinc/89/44/13/824894413.db2.gz LHMSLILYCRHJLE-GFCCVEGCSA-N 1 3 266.389 -0.462 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801424 824895285 /nfs/dbraw/zinc/89/52/85/824895285.db2.gz ZJFZHMKZXZYJNO-BDAKNGLRSA-N 1 3 277.315 -0.146 20 0 CBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800937 824895608 /nfs/dbraw/zinc/89/56/08/824895608.db2.gz PDUXSADUYVEPDP-JQWIXIFHSA-N 1 3 293.371 -0.836 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219848584 824901913 /nfs/dbraw/zinc/90/19/13/824901913.db2.gz ZJGBDPAHRFPURR-LDMBFOFVSA-N 1 3 253.346 -0.251 20 0 CBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[C@@H](F)CCN1 ZINC001219850431 824902549 /nfs/dbraw/zinc/90/25/49/824902549.db2.gz SZBBMTWDBSQZOW-PJSNJIKXSA-N 1 3 285.363 -0.183 20 0 CBADHO [NH3+]CCNC(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001219876568 824906128 /nfs/dbraw/zinc/90/61/28/824906128.db2.gz XOUWZQDRLDINAH-CYBMUJFWSA-N 1 3 263.341 -0.058 20 0 CBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](C)O ZINC001219879889 824907052 /nfs/dbraw/zinc/90/70/52/824907052.db2.gz OTBBFZQVISLBLJ-VWYCJHECSA-N 1 3 289.376 -0.916 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219882667 824907776 /nfs/dbraw/zinc/90/77/76/824907776.db2.gz MCTZKGDVIULVLG-QMMMGPOBSA-N 1 3 258.322 -0.511 20 0 CBADHO CCOC(=O)CC(=N)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219883207 824909173 /nfs/dbraw/zinc/90/91/73/824909173.db2.gz RNAKBDISLAUUPN-LLVKDONJSA-N 1 3 270.333 -0.640 20 0 CBADHO CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219890666 824910919 /nfs/dbraw/zinc/91/09/19/824910919.db2.gz JMZVRHYNDRUZFK-NTZNESFSSA-N 1 3 268.361 -0.820 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890122 824911121 /nfs/dbraw/zinc/91/11/21/824911121.db2.gz FJMFNCWPSDCNNX-MNOVXSKESA-N 1 3 278.356 -0.173 20 0 CBADHO CN[C@@H](COCc1ccccc1)C(=O)NCC[NH2+]CCO ZINC001219918754 824915492 /nfs/dbraw/zinc/91/54/92/824915492.db2.gz QPTDEHLBAFDGEK-AWEZNQCLSA-N 1 3 295.383 -0.511 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219918905 824915588 /nfs/dbraw/zinc/91/55/88/824915588.db2.gz TXCBBMNNBUUHFT-JSGCOSHPSA-N 1 3 295.383 -0.001 20 0 CBADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1C[NH2+]CC12CNC2 ZINC001219924925 824915976 /nfs/dbraw/zinc/91/59/76/824915976.db2.gz CAUJXAGEKNEKRT-CHWSQXEVSA-N 1 3 287.363 -0.085 20 0 CBADHO Cc1c[nH]c(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001219952017 824920018 /nfs/dbraw/zinc/92/00/18/824920018.db2.gz LLVXWZTXWQRTGC-BXUZGUMPSA-N 1 3 277.372 -0.424 20 0 CBADHO Cc1nonc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219948548 824920777 /nfs/dbraw/zinc/92/07/77/824920777.db2.gz YCMVWAVAXCZXLT-BXKDBHETSA-N 1 3 265.317 -0.807 20 0 CBADHO O=C(NCc1ccc2nonc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001219965425 824924195 /nfs/dbraw/zinc/92/41/95/824924195.db2.gz NIGFNRSQZFALNM-SNVBAGLBSA-N 1 3 287.323 -0.352 20 0 CBADHO O=C(NC[C@@H]1CCCCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001219978931 824927667 /nfs/dbraw/zinc/92/76/67/824927667.db2.gz VNLHZDFBKJQBPQ-WDEREUQCSA-N 1 3 253.346 -0.519 20 0 CBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219978387 824927775 /nfs/dbraw/zinc/92/77/75/824927775.db2.gz LWLJPAZYLCWWAC-NWDGAFQWSA-N 1 3 299.419 -0.390 20 0 CBADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219978387 824927781 /nfs/dbraw/zinc/92/77/81/824927781.db2.gz LWLJPAZYLCWWAC-NWDGAFQWSA-N 1 3 299.419 -0.390 20 0 CBADHO COC(=O)C1(NC(=O)C(N)C(F)(F)F)CC[NH2+]CC1 ZINC001220001410 824931003 /nfs/dbraw/zinc/93/10/03/824931003.db2.gz QOFRXDUQMGVRFJ-LURJTMIESA-N 1 3 283.250 -0.713 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccncn1 ZINC001220005111 824932158 /nfs/dbraw/zinc/93/21/58/824932158.db2.gz QNINBXZWOHLSGR-VIFPVBQESA-N 1 3 255.347 -0.888 20 0 CBADHO CN1C[C@@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCC1=O ZINC001220006850 824932393 /nfs/dbraw/zinc/93/23/93/824932393.db2.gz DMOVGHHAZUNOOI-JQWIXIFHSA-N 1 3 268.361 -0.950 20 0 CBADHO O=C(NCc1cncnc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220007688 824933677 /nfs/dbraw/zinc/93/36/77/824933677.db2.gz UAKYIPRABMSKLP-LBPRGKRZSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NCc1cncnc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220007688 824933683 /nfs/dbraw/zinc/93/36/83/824933683.db2.gz UAKYIPRABMSKLP-LBPRGKRZSA-N 1 3 275.356 -0.033 20 0 CBADHO O=C(NC1(CO)CCOCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220018585 824934996 /nfs/dbraw/zinc/93/49/96/824934996.db2.gz JRDRQTCVIFOLOK-GFCCVEGCSA-N 1 3 297.399 -0.482 20 0 CBADHO O=C(NC1(CO)CCOCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220018585 824935001 /nfs/dbraw/zinc/93/50/01/824935001.db2.gz JRDRQTCVIFOLOK-GFCCVEGCSA-N 1 3 297.399 -0.482 20 0 CBADHO O=C(NCc1ccc2n[nH]cc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220024999 824938030 /nfs/dbraw/zinc/93/80/30/824938030.db2.gz GIQVCBRSOWOUDD-LBPRGKRZSA-N 1 3 285.351 -0.012 20 0 CBADHO COc1ncnc(OC)c1CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220045077 824942634 /nfs/dbraw/zinc/94/26/34/824942634.db2.gz LDACTTHITLOHTG-VIFPVBQESA-N 1 3 283.332 -0.824 20 0 CBADHO COCC1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCC1 ZINC001220064154 824948404 /nfs/dbraw/zinc/94/84/04/824948404.db2.gz SVRRXDWQIAEAHK-BXUZGUMPSA-N 1 3 267.373 -0.129 20 0 CBADHO COCC1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCC1 ZINC001220064291 824949504 /nfs/dbraw/zinc/94/95/04/824949504.db2.gz YZZHRMSFGCJRSC-JTQLQIEISA-N 1 3 253.346 -0.519 20 0 CBADHO C[NH2+]CCCCNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001220077320 824950531 /nfs/dbraw/zinc/95/05/31/824950531.db2.gz FPDTYCZRJTWUDH-RYUDHWBXSA-N 1 3 286.420 -0.020 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220071468 824951094 /nfs/dbraw/zinc/95/10/94/824951094.db2.gz DZTWOIVYNNBLHL-JTQLQIEISA-N 1 3 283.401 -0.392 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(CN)s1 ZINC001220103600 824954896 /nfs/dbraw/zinc/95/48/96/824954896.db2.gz YJTMFIPRRUIGHK-UHFFFAOYSA-N 1 3 270.362 -0.324 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113005 824957956 /nfs/dbraw/zinc/95/79/56/824957956.db2.gz HTECABZSKLZLLE-RYUDHWBXSA-N 1 3 267.329 -0.392 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CCC[NH3+])[C@H](C)OC1 ZINC001220136841 824963085 /nfs/dbraw/zinc/96/30/85/824963085.db2.gz IUFAITQHPHJRRS-WPRPVWTQSA-N 1 3 285.344 -0.595 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220140787 824965316 /nfs/dbraw/zinc/96/53/16/824965316.db2.gz AXKQTIZENZTIFX-FRRDWIJNSA-N 1 3 297.399 -0.219 20 0 CBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220140787 824965320 /nfs/dbraw/zinc/96/53/20/824965320.db2.gz AXKQTIZENZTIFX-FRRDWIJNSA-N 1 3 297.399 -0.219 20 0 CBADHO N[C@@H](C(=O)NCc1cc[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001220148312 824969048 /nfs/dbraw/zinc/96/90/48/824969048.db2.gz VUHNBTWDVGLBKH-GFCCVEGCSA-N 1 3 264.329 -0.270 20 0 CBADHO CN[C@H](C(=O)NC1(C[NH3+])COC1)[C@@H](C)OC(C)(C)C ZINC001220153836 824971313 /nfs/dbraw/zinc/97/13/13/824971313.db2.gz AETVWTIDNNKISV-ZJUUUORDSA-N 1 3 273.377 -0.378 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220157064 824973310 /nfs/dbraw/zinc/97/33/10/824973310.db2.gz WDBYCDDSQLRLDB-GMXVVIOVSA-N 1 3 252.362 -0.852 20 0 CBADHO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220157151 824973548 /nfs/dbraw/zinc/97/35/48/824973548.db2.gz YPBJWTRIDDIFIY-DCAQKATOSA-N 1 3 253.346 -0.500 20 0 CBADHO O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220157151 824973550 /nfs/dbraw/zinc/97/35/50/824973550.db2.gz YPBJWTRIDDIFIY-DCAQKATOSA-N 1 3 253.346 -0.500 20 0 CBADHO CC(C)N1CC(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220159688 824974270 /nfs/dbraw/zinc/97/42/70/824974270.db2.gz QWCPTCKCQSTGKG-JTQLQIEISA-N 1 3 260.407 -0.786 20 0 CBADHO CCC1(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)COC1 ZINC001220170816 824976154 /nfs/dbraw/zinc/97/61/54/824976154.db2.gz VNTDJAVKDYLWOH-BXUZGUMPSA-N 1 3 267.373 -0.272 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1(CCO)COC1 ZINC001220172750 824978191 /nfs/dbraw/zinc/97/81/91/824978191.db2.gz ASUARUBVLJOUSM-NSHDSACASA-N 1 3 273.377 -0.687 20 0 CBADHO N=C(NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ncc[nH]1 ZINC001220181553 824981680 /nfs/dbraw/zinc/98/16/80/824981680.db2.gz TVNPSRFZVPUUOP-QMMMGPOBSA-N 1 3 250.306 -0.822 20 0 CBADHO N=C(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ncc[nH]1 ZINC001220181464 824981787 /nfs/dbraw/zinc/98/17/87/824981787.db2.gz PNZKTWZXASWBPF-VIFPVBQESA-N 1 3 276.344 -0.275 20 0 CBADHO N=C(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ncc[nH]1 ZINC001220181464 824981791 /nfs/dbraw/zinc/98/17/91/824981791.db2.gz PNZKTWZXASWBPF-VIFPVBQESA-N 1 3 276.344 -0.275 20 0 CBADHO O=C(NC[C@H]1CCNCC1(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220185380 824983448 /nfs/dbraw/zinc/98/34/48/824983448.db2.gz GVBYALGYFOAUKR-ZJUUUORDSA-N 1 3 288.342 -0.844 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220203171 824986687 /nfs/dbraw/zinc/98/66/87/824986687.db2.gz YGWOZZRKGOLJQV-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)(C)[C@H](CO)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220217134 824987720 /nfs/dbraw/zinc/98/77/20/824987720.db2.gz MLOOCWDRFSPOGW-ZJUUUORDSA-N 1 3 255.362 -0.681 20 0 CBADHO CN1C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1=O ZINC001220245850 824994378 /nfs/dbraw/zinc/99/43/78/824994378.db2.gz WKWYVHKWKLYPJI-NEPJUHHUSA-N 1 3 294.399 -0.545 20 0 CBADHO CN1C[C@@H](CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1=O ZINC001220245850 824994383 /nfs/dbraw/zinc/99/43/83/824994383.db2.gz WKWYVHKWKLYPJI-NEPJUHHUSA-N 1 3 294.399 -0.545 20 0 CBADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220252388 824996090 /nfs/dbraw/zinc/99/60/90/824996090.db2.gz YXJVSHBLVXBNLU-LDLUMPKVSA-N 1 3 275.418 -0.317 20 0 CBADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220252388 824996094 /nfs/dbraw/zinc/99/60/94/824996094.db2.gz YXJVSHBLVXBNLU-LDLUMPKVSA-N 1 3 275.418 -0.317 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261093 824997518 /nfs/dbraw/zinc/99/75/18/824997518.db2.gz QLWUZANTIVOTQN-GFCCVEGCSA-N 1 3 274.328 -0.334 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261072 824998101 /nfs/dbraw/zinc/99/81/01/824998101.db2.gz PONPHPLUODZLEJ-ZDUSSCGKSA-N 1 3 288.355 -0.323 20 0 CBADHO COCCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268638 824999230 /nfs/dbraw/zinc/99/92/30/824999230.db2.gz DYBUUCIXCNUPCD-KGLIPLIRSA-N 1 3 299.415 -0.474 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447187 825041279 /nfs/dbraw/zinc/04/12/79/825041279.db2.gz DAUODPUBUXWZCV-BQBZGAKWSA-N 1 3 257.256 -0.518 20 0 CBADHO COCCn1cncc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220275419 825003203 /nfs/dbraw/zinc/00/32/03/825003203.db2.gz YGYBSAFPHYXFHM-ZDUSSCGKSA-N 1 3 295.387 -0.527 20 0 CBADHO O=C(NCc1ncn2c1CNCCC2)C1CC[NH2+]CC1 ZINC001220311402 825011721 /nfs/dbraw/zinc/01/17/21/825011721.db2.gz NLVXANVOYMUDJT-UHFFFAOYSA-N 1 3 277.372 -0.008 20 0 CBADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)n(N)c(=O)c1 ZINC001220323183 825015036 /nfs/dbraw/zinc/01/50/36/825015036.db2.gz CVARARDZRPXAEX-NSHDSACASA-N 1 3 295.387 -0.132 20 0 CBADHO O=C(N[C@@H]1CC12CCOCC2)[C@H]1C[NH2+]CC12CNC2 ZINC001220329400 825016796 /nfs/dbraw/zinc/01/67/96/825016796.db2.gz ONEIGRIMJGLPLK-GHMZBOCLSA-N 1 3 265.357 -0.519 20 0 CBADHO CN1CCOC[C@H]1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220382412 825025676 /nfs/dbraw/zinc/02/56/76/825025676.db2.gz WLIGPKBAEYQGOV-OLZOCXBDSA-N 1 3 286.420 -0.508 20 0 CBADHO NCc1ccc2c(n1)N(C(=O)[C@H]1[NH2+]CC[C@H]1O)CCC2 ZINC001220377457 825025817 /nfs/dbraw/zinc/02/58/17/825025817.db2.gz YSDCZYNRRIAQOS-NEPJUHHUSA-N 1 3 276.340 -0.458 20 0 CBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncccc1O ZINC001220390299 825027311 /nfs/dbraw/zinc/02/73/11/825027311.db2.gz XDZPYDAWEXUBIZ-LLVKDONJSA-N 1 3 293.371 -0.846 20 0 CBADHO NC(=O)NCCC[C@@H](N)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394452 825028614 /nfs/dbraw/zinc/02/86/14/825028614.db2.gz GYKNKVUGUKWWPU-LLVKDONJSA-N 1 3 297.403 -0.636 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403216 825029670 /nfs/dbraw/zinc/02/96/70/825029670.db2.gz KACBCLPXLQRBQL-QWHCGFSZSA-N 1 3 290.367 -0.070 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403220 825029915 /nfs/dbraw/zinc/02/99/15/825029915.db2.gz KACBCLPXLQRBQL-STQMWFEESA-N 1 3 290.367 -0.070 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403314 825031532 /nfs/dbraw/zinc/03/15/32/825031532.db2.gz NJZNTJQBJSMLLX-NWDGAFQWSA-N 1 3 276.340 -0.460 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001220406576 825033513 /nfs/dbraw/zinc/03/35/13/825033513.db2.gz TVQSJFZXKCIDTF-GMTAPVOTSA-N 1 3 281.356 -0.747 20 0 CBADHO O=C(CNC1CC[NH2+]CC1)NCc1ccc2[nH]nnc2c1 ZINC001220426154 825037430 /nfs/dbraw/zinc/03/74/30/825037430.db2.gz BSRBHQSELGYBBJ-UHFFFAOYSA-N 1 3 288.355 -0.084 20 0 CBADHO Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220492803 825049569 /nfs/dbraw/zinc/04/95/69/825049569.db2.gz RZZQXOKNWZDQOE-VIFPVBQESA-N 1 3 255.322 -0.851 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499723 825051884 /nfs/dbraw/zinc/05/18/84/825051884.db2.gz BTPXYHKRACSNRN-CRTZDJKQSA-N 1 3 283.397 -0.102 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)NCCOCCOCC[NH3+] ZINC001220519397 825053216 /nfs/dbraw/zinc/05/32/16/825053216.db2.gz MUDIUMJRVSHFGL-LBPRGKRZSA-N 1 3 273.377 -0.388 20 0 CBADHO COC(=O)C[C@@H](NC(=O)[C@H](N)CCC[NH3+])c1cccnc1 ZINC001220527205 825056891 /nfs/dbraw/zinc/05/68/91/825056891.db2.gz GHYIMMPFAWFWCK-VXGBXAGGSA-N 1 3 294.355 -0.132 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673637 825082290 /nfs/dbraw/zinc/08/22/90/825082290.db2.gz GUXXDMBMYBYWKZ-GFCCVEGCSA-N 1 3 288.355 -0.050 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680654 825085348 /nfs/dbraw/zinc/08/53/48/825085348.db2.gz LWLPEXGPFIEARG-ODAADZRKSA-N 1 3 287.429 -0.128 20 0 CBADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220709110 825088918 /nfs/dbraw/zinc/08/89/18/825088918.db2.gz RLXAIIVUGXBPNO-JTQLQIEISA-N 1 3 272.393 -0.136 20 0 CBADHO Nc1ncc(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)s1 ZINC001220704908 825089920 /nfs/dbraw/zinc/08/99/20/825089920.db2.gz XWMBCJGCMKTOTA-SNVBAGLBSA-N 1 3 283.401 -0.289 20 0 CBADHO COC(=O)CC1(NC(=O)[C@H](N)CCC[NH3+])CCOCC1 ZINC001220731285 825095014 /nfs/dbraw/zinc/09/50/14/825095014.db2.gz KCYSPTVQBULHSE-SNVBAGLBSA-N 1 3 287.360 -0.719 20 0 CBADHO O=C(NCCC1CCC(O)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220756690 825097542 /nfs/dbraw/zinc/09/75/42/825097542.db2.gz HTSAGZGFSCCSTO-BPCQOVAHSA-N 1 3 281.400 -0.147 20 0 CBADHO CC(=O)NCCCCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220758938 825097979 /nfs/dbraw/zinc/09/79/79/825097979.db2.gz NCWPVJOFRVKZQH-ZDUSSCGKSA-N 1 3 284.404 -0.264 20 0 CBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220765866 825098662 /nfs/dbraw/zinc/09/86/62/825098662.db2.gz GYGFABAHPNNWDL-KXUCPTDWSA-N 1 3 253.346 -0.929 20 0 CBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220766969 825099640 /nfs/dbraw/zinc/09/96/40/825099640.db2.gz ZAMAKPCTPJDPCW-GMTAPVOTSA-N 1 3 255.362 -0.411 20 0 CBADHO CCOC(=O)[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220848679 825110419 /nfs/dbraw/zinc/11/04/19/825110419.db2.gz FVVVMHJJKHKPNA-JTNHKYCSSA-N 1 3 283.372 -0.499 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859665 825113878 /nfs/dbraw/zinc/11/38/78/825113878.db2.gz ITWOKPIVSZCYLY-GSRNSYJJSA-N 1 3 263.407 -0.428 20 0 CBADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859666 825114247 /nfs/dbraw/zinc/11/42/47/825114247.db2.gz ITWOKPIVSZCYLY-IRWWLHRVSA-N 1 3 263.407 -0.428 20 0 CBADHO N[C@@]1(C(=O)NCCc2cnc3cc[nH]cc2-3)CC[NH2+]C1 ZINC001220865862 825114766 /nfs/dbraw/zinc/11/47/66/825114766.db2.gz NAAOIQWDPKZINU-AWEZNQCLSA-N 1 3 273.340 -0.088 20 0 CBADHO N[C@@]1(C(=O)NCCc2c[nH]c3ccncc23)CC[NH2+]C1 ZINC001220865862 825114769 /nfs/dbraw/zinc/11/47/69/825114769.db2.gz NAAOIQWDPKZINU-AWEZNQCLSA-N 1 3 273.340 -0.088 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001220866226 825114946 /nfs/dbraw/zinc/11/49/46/825114946.db2.gz UXUNNIAISPOXJF-JTQLQIEISA-N 1 3 262.313 -0.069 20 0 CBADHO [NH3+]C[C@@H](O)CC(=O)NCCc1c[nH]c2ccncc12 ZINC001220866226 825114952 /nfs/dbraw/zinc/11/49/52/825114952.db2.gz UXUNNIAISPOXJF-JTQLQIEISA-N 1 3 262.313 -0.069 20 0 CBADHO COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220881537 825118728 /nfs/dbraw/zinc/11/87/28/825118728.db2.gz MGUJRMDZIDSQAA-SRVKXCTJSA-N 1 3 285.388 -0.029 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220881442 825118779 /nfs/dbraw/zinc/11/87/79/825118779.db2.gz KMSCZJOTOHIZEW-BBBLOLIVSA-N 1 3 257.334 -0.632 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NC1(c2ncccn2)CC1 ZINC001220934620 825125785 /nfs/dbraw/zinc/12/57/85/825125785.db2.gz SGABPFINOAIARJ-VIFPVBQESA-N 1 3 281.385 -0.399 20 0 CBADHO O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H](F)CCN1 ZINC001220935908 825126060 /nfs/dbraw/zinc/12/60/60/825126060.db2.gz ANDMUHQWRUOITG-DCAQKATOSA-N 1 3 259.325 -0.429 20 0 CBADHO Cc1noc(C2(NC(=O)[C@H](N)C3CC[NH2+]CC3)CC2)n1 ZINC001220932595 825126085 /nfs/dbraw/zinc/12/60/85/825126085.db2.gz ONGQYIFBIHJJAO-SNVBAGLBSA-N 1 3 279.344 -0.190 20 0 CBADHO CC(C)OCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979290 825132275 /nfs/dbraw/zinc/13/22/75/825132275.db2.gz JKRFZSLYFIZPLA-KGLIPLIRSA-N 1 3 299.415 -0.332 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC1(c2cnccn2)CC1 ZINC001220992514 825132799 /nfs/dbraw/zinc/13/27/99/825132799.db2.gz OYOYKFVPUSOHCL-JTQLQIEISA-N 1 3 263.345 -0.309 20 0 CBADHO N[C@H](C(=O)NCC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001220992127 825132947 /nfs/dbraw/zinc/13/29/47/825132947.db2.gz FHBFSGBYQFBAQQ-ZDUSSCGKSA-N 1 3 289.383 -0.049 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001221007824 825134661 /nfs/dbraw/zinc/13/46/61/825134661.db2.gz DXOGHALTJFNUIB-GMTAPVOTSA-N 1 3 253.346 -0.521 20 0 CBADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@H](N)CCC[NH3+] ZINC001221015295 825136799 /nfs/dbraw/zinc/13/67/99/825136799.db2.gz CJHOMHZKUYGIDY-SNVBAGLBSA-N 1 3 282.344 -0.213 20 0 CBADHO N[C@@H](C(=O)NCCc1nncs1)C1CC[NH2+]CC1 ZINC001221012820 825136914 /nfs/dbraw/zinc/13/69/14/825136914.db2.gz CECICWFKEFANFN-SNVBAGLBSA-N 1 3 269.374 -0.476 20 0 CBADHO N[C@@H](C(=O)NC1(c2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001221081958 825141432 /nfs/dbraw/zinc/14/14/32/825141432.db2.gz AGSXPZFIYJIHSD-GFCCVEGCSA-N 1 3 275.356 -0.091 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccnn1CCF ZINC001221106428 825145640 /nfs/dbraw/zinc/14/56/40/825145640.db2.gz YWXZKGXACIHZJL-JTQLQIEISA-N 1 3 257.313 -0.465 20 0 CBADHO COCCC1([NH3+])CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC1 ZINC001221133994 825147200 /nfs/dbraw/zinc/14/72/00/825147200.db2.gz FWZNOVPCVUJMHD-GFCCVEGCSA-N 1 3 295.387 -0.364 20 0 CBADHO COCCC1([NH3+])CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC1 ZINC001221133994 825147205 /nfs/dbraw/zinc/14/72/05/825147205.db2.gz FWZNOVPCVUJMHD-GFCCVEGCSA-N 1 3 295.387 -0.364 20 0 CBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001221187571 825151034 /nfs/dbraw/zinc/15/10/34/825151034.db2.gz ABBWOLNKLYOZLU-GUBZILKMSA-N 1 3 275.324 -0.527 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CN(C2COC2)C1 ZINC001221245794 825160377 /nfs/dbraw/zinc/16/03/77/825160377.db2.gz DCMKRGSHMYBTNF-AWEZNQCLSA-N 1 3 298.431 -0.319 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@@H](N)CCC[NH3+])OCC ZINC001221262847 825164085 /nfs/dbraw/zinc/16/40/85/825164085.db2.gz REXKMTAXWUMVPN-CUQRQBARSA-N 1 3 273.333 -0.390 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221278421 825167186 /nfs/dbraw/zinc/16/71/86/825167186.db2.gz RTJUUDWSTURPFC-ZETCQYMHSA-N 1 3 284.282 -0.763 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309808 825169067 /nfs/dbraw/zinc/16/90/67/825169067.db2.gz WGRZKSUYHJDHLC-GUBZILKMSA-N 1 3 261.391 -0.717 20 0 CBADHO O=C(N[C@H]1CCC[C@H]1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221309366 825169715 /nfs/dbraw/zinc/16/97/15/825169715.db2.gz PWGJPMSHYSCDID-KZVDOYCCSA-N 1 3 267.373 -0.537 20 0 CBADHO [NH3+]CCCCNC(=O)[C@@H]1CNCc2ccnn2C1 ZINC001221342582 825175333 /nfs/dbraw/zinc/17/53/33/825175333.db2.gz CMLRFEBPWBTYPV-SNVBAGLBSA-N 1 3 251.334 -0.542 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221370040 825177860 /nfs/dbraw/zinc/17/78/60/825177860.db2.gz OTKBTORXQNYZPG-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221376638 825179216 /nfs/dbraw/zinc/17/92/16/825179216.db2.gz DVDHJCYCERTPQK-KBPBESRZSA-N 1 3 289.379 -0.312 20 0 CBADHO O=C(NC[C@H]1CNC(=O)O1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221371825 825179253 /nfs/dbraw/zinc/17/92/53/825179253.db2.gz ZCDYOJRTYRJIDG-VHSXEESVSA-N 1 3 282.344 -0.915 20 0 CBADHO O=C(NC[C@H]1CNC(=O)O1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221371825 825179259 /nfs/dbraw/zinc/17/92/59/825179259.db2.gz ZCDYOJRTYRJIDG-VHSXEESVSA-N 1 3 282.344 -0.915 20 0 CBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)NC1 ZINC001221390924 825180183 /nfs/dbraw/zinc/18/01/83/825180183.db2.gz JBQNFWKECFFGFC-TZMCWYRMSA-N 1 3 292.383 -0.723 20 0 CBADHO N[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC[NH2+]C1 ZINC001221399574 825182642 /nfs/dbraw/zinc/18/26/42/825182642.db2.gz RFILHHQGAVDDEU-HOCLYGCPSA-N 1 3 288.395 -0.102 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397909 825183374 /nfs/dbraw/zinc/18/33/74/825183374.db2.gz QGLWBVRWLLXOLU-QWHCGFSZSA-N 1 3 263.341 -0.473 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC001221407338 825184757 /nfs/dbraw/zinc/18/47/57/825184757.db2.gz XXNXLJAEDDTNHG-GFCCVEGCSA-N 1 3 255.362 -0.441 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411869 825187880 /nfs/dbraw/zinc/18/78/80/825187880.db2.gz YHLRHSLWWABMMY-OLZOCXBDSA-N 1 3 277.372 -0.216 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411869 825187886 /nfs/dbraw/zinc/18/78/86/825187886.db2.gz YHLRHSLWWABMMY-OLZOCXBDSA-N 1 3 277.372 -0.216 20 0 CBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001221789180 825193498 /nfs/dbraw/zinc/19/34/98/825193498.db2.gz JGAZIFBOIHZWDG-CHWSQXEVSA-N 1 3 269.389 -0.147 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001222414156 825209794 /nfs/dbraw/zinc/20/97/94/825209794.db2.gz JHPQFYJUBZXVOW-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCO)CC1)C1CC1 ZINC001227798440 825308592 /nfs/dbraw/zinc/30/85/92/825308592.db2.gz YERFVUTVACHKSW-ZDUSSCGKSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+](C)CCCC(=O)NC1CCN(CCO)CC1 ZINC001228904671 825324901 /nfs/dbraw/zinc/32/49/01/825324901.db2.gz SRYACBDATHVHBL-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO [NH3+][C@H](Cc1ccccc1)CN1CCNC(=O)C12CNC2 ZINC001235068485 825487355 /nfs/dbraw/zinc/48/73/55/825487355.db2.gz IBDKSIOCOAIEPH-CYBMUJFWSA-N 1 3 274.368 -0.670 20 0 CBADHO [NH3+]CCN1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001235516465 825499726 /nfs/dbraw/zinc/49/97/26/825499726.db2.gz JKZHEGWLQYFQFO-NEPJUHHUSA-N 1 3 263.345 -0.427 20 0 CBADHO NCC[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001235588915 825505464 /nfs/dbraw/zinc/50/54/64/825505464.db2.gz MKQXSQQZFKDROS-HIFRSBDPSA-N 1 3 297.399 -0.468 20 0 CBADHO NCC[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001235588915 825505477 /nfs/dbraw/zinc/50/54/77/825505477.db2.gz MKQXSQQZFKDROS-HIFRSBDPSA-N 1 3 297.399 -0.468 20 0 CBADHO CN(C)Cc1cc(=O)n2c(n1)CN(CC[NH3+])CCC2 ZINC001235596443 825505870 /nfs/dbraw/zinc/50/58/70/825505870.db2.gz JAUQACBXUFUYBN-UHFFFAOYSA-N 1 3 265.361 -0.531 20 0 CBADHO [O-]c1cnccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872074 825516940 /nfs/dbraw/zinc/51/69/40/825516940.db2.gz ZJXPVUGSNBKMRX-UHFFFAOYSA-N 1 3 279.388 -0.628 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CC1(F)CC[NH2+]CC1 ZINC001236053289 825520935 /nfs/dbraw/zinc/52/09/35/825520935.db2.gz UUFMTFLQBHWYLM-JTQLQIEISA-N 1 3 259.325 -0.475 20 0 CBADHO COC(=O)[C@H]1CN(Cc2nc3c(s2)CNCC3)C[C@@H]1[NH3+] ZINC001236349304 825529118 /nfs/dbraw/zinc/52/91/18/825529118.db2.gz GKHXJIMOUQRZNG-IUCAKERBSA-N 1 3 296.396 -0.279 20 0 CBADHO NCCS(=O)(=O)Nc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC001237837693 825544350 /nfs/dbraw/zinc/54/43/50/825544350.db2.gz NHEMVVZEXZQZPZ-SNVBAGLBSA-N 1 3 284.385 -0.076 20 0 CBADHO NCCS(=O)(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001238179876 825549398 /nfs/dbraw/zinc/54/93/98/825549398.db2.gz OENWBUWDYDLSPM-UHFFFAOYSA-N 1 3 269.370 -0.290 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-]C[C@@]1(F)CC[NH2+]C1 ZINC001238242846 825551017 /nfs/dbraw/zinc/55/10/17/825551017.db2.gz OYBXARIODXPEKE-LLVKDONJSA-N 1 3 279.381 -0.393 20 0 CBADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1c[nH]cn1 ZINC001238244257 825551208 /nfs/dbraw/zinc/55/12/08/825551208.db2.gz ZDOUPGQFHZJUET-SNVBAGLBSA-N 1 3 299.400 -0.438 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001238348662 825552016 /nfs/dbraw/zinc/55/20/16/825552016.db2.gz TWNOMQUCQWFFSE-WOPDTQHZSA-N 1 3 289.401 -0.965 20 0 CBADHO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001238626053 825558220 /nfs/dbraw/zinc/55/82/20/825558220.db2.gz QOBIYIKWBQGMNW-CMPLNLGQSA-N 1 3 291.417 -0.718 20 0 CBADHO C[NH+]1CCC(CCCNS(=O)(=O)CCN)CC1 ZINC001238798919 825562546 /nfs/dbraw/zinc/56/25/46/825562546.db2.gz QBVBYZOKMLBYOE-UHFFFAOYSA-N 1 3 263.407 -0.014 20 0 CBADHO N[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1F ZINC001238920367 825572295 /nfs/dbraw/zinc/57/22/95/825572295.db2.gz BIIINVKVXMSRHF-UWVGGRQHSA-N 1 3 265.354 -0.703 20 0 CBADHO CN(C[C@H]1CNCCO1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238938764 825574804 /nfs/dbraw/zinc/57/48/04/825574804.db2.gz PRUJIPXONYXQNJ-GFCCVEGCSA-N 1 3 291.417 -0.764 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001239073268 825585271 /nfs/dbraw/zinc/58/52/71/825585271.db2.gz LCCPJBBHMIXVMS-RYUDHWBXSA-N 1 3 275.418 -0.014 20 0 CBADHO NCCS(=O)(=O)N1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001239073429 825585296 /nfs/dbraw/zinc/58/52/96/825585296.db2.gz MZQLCLQMRSACHL-UWVGGRQHSA-N 1 3 265.354 -0.702 20 0 CBADHO O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[C@@H](C1)N2 ZINC001239074362 825585324 /nfs/dbraw/zinc/58/53/24/825585324.db2.gz SMBAXYWSWSKHEX-PHIMTYICSA-N 1 3 259.375 -0.638 20 0 CBADHO CCN(CC)CCN(CC)S(=O)(=O)CC[NH3+] ZINC001239084836 825586698 /nfs/dbraw/zinc/58/66/98/825586698.db2.gz WFKZUTYFNWRYPP-UHFFFAOYSA-N 1 3 251.396 -0.061 20 0 CBADHO NCCS(=O)(=O)N(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001239144541 825594508 /nfs/dbraw/zinc/59/45/08/825594508.db2.gz SLCPVIRJSAJLAI-LBPRGKRZSA-N 1 3 284.385 -0.466 20 0 CBADHO NCCS(=O)(=O)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001239175953 825596703 /nfs/dbraw/zinc/59/67/03/825596703.db2.gz YGZQVKBGTJYTJJ-NSHDSACASA-N 1 3 261.391 -0.119 20 0 CBADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)C(F)(F)F ZINC001245973889 825615905 /nfs/dbraw/zinc/61/59/05/825615905.db2.gz LITKXXHNSLRRJB-BIIVOSGPSA-N 1 3 260.231 -0.438 20 0 CBADHO CCOC(=O)C[C@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245990930 825618423 /nfs/dbraw/zinc/61/84/23/825618423.db2.gz TYEPQMSGTGOEAT-ZDUSSCGKSA-N 1 3 285.388 -0.674 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]CC1(O)CCOCC1 ZINC001246004320 825619488 /nfs/dbraw/zinc/61/94/88/825619488.db2.gz BOQMNBAQIHJEKW-JTQLQIEISA-N 1 3 259.350 -0.900 20 0 CBADHO CC(C)OC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246006063 825620541 /nfs/dbraw/zinc/62/05/41/825620541.db2.gz GULJWNWDQGYUAQ-QWRGUYRKSA-N 1 3 261.366 -0.655 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001246006159 825620862 /nfs/dbraw/zinc/62/08/62/825620862.db2.gz HJDQLBIITBNHAK-YPMHNXCESA-N 1 3 299.371 -0.270 20 0 CBADHO CCCOC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246017397 825621933 /nfs/dbraw/zinc/62/19/33/825621933.db2.gz ASRQSIVUSLYFOD-QWHCGFSZSA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246017397 825621934 /nfs/dbraw/zinc/62/19/34/825621934.db2.gz ASRQSIVUSLYFOD-QWHCGFSZSA-N 1 3 260.378 -0.050 20 0 CBADHO CCCOC[C@@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246017397 825621936 /nfs/dbraw/zinc/62/19/36/825621936.db2.gz ASRQSIVUSLYFOD-QWHCGFSZSA-N 1 3 260.378 -0.050 20 0 CBADHO NC[C@]1(O)CCCC[N@H+](CC2(O)CCOCC2)C1 ZINC001246025070 825626149 /nfs/dbraw/zinc/62/61/49/825626149.db2.gz SABZSSWDEXPRNA-CYBMUJFWSA-N 1 3 258.362 -0.296 20 0 CBADHO NC[C@]1(O)CCCC[N@@H+](CC2(O)CCOCC2)C1 ZINC001246025070 825626150 /nfs/dbraw/zinc/62/61/50/825626150.db2.gz SABZSSWDEXPRNA-CYBMUJFWSA-N 1 3 258.362 -0.296 20 0 CBADHO NC[C@@]1(O)CCCC[N@H+](CC2(O)CCOCC2)C1 ZINC001246025072 825626574 /nfs/dbraw/zinc/62/65/74/825626574.db2.gz SABZSSWDEXPRNA-ZDUSSCGKSA-N 1 3 258.362 -0.296 20 0 CBADHO NC[C@@]1(O)CCCC[N@@H+](CC2(O)CCOCC2)C1 ZINC001246025072 825626576 /nfs/dbraw/zinc/62/65/76/825626576.db2.gz SABZSSWDEXPRNA-ZDUSSCGKSA-N 1 3 258.362 -0.296 20 0 CBADHO C[C@@H](CC(=O)N1CCOCC1)NC1CC[NH2+]CC1 ZINC001246082167 825633995 /nfs/dbraw/zinc/63/39/95/825633995.db2.gz WLCMJBSBCQDCJW-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO O=C1CC[C@H]2C[C@H]([NH2+]C[C@]3(O)CCNC[C@@H]3F)CCN12 ZINC001246088045 825634535 /nfs/dbraw/zinc/63/45/35/825634535.db2.gz IDYMIDCXZOWMAM-OWTLIXCDSA-N 1 3 285.363 -0.208 20 0 CBADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086252 825635206 /nfs/dbraw/zinc/63/52/06/825635206.db2.gz ZMCGDDBZFURAFW-MPPDQPJWSA-N 1 3 274.336 -0.020 20 0 CBADHO C[C@H]1CC[C@H](NCCC(=O)N2CCNCC2)C[NH2+]1 ZINC001246107205 825636429 /nfs/dbraw/zinc/63/64/29/825636429.db2.gz GTLNXINTYJWILF-RYUDHWBXSA-N 1 3 254.378 -0.462 20 0 CBADHO O=S1(=O)CC[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001246125959 825637853 /nfs/dbraw/zinc/63/78/53/825637853.db2.gz KYPVGPAVLGTRDU-NEPJUHHUSA-N 1 3 287.429 -0.363 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246129403 825638104 /nfs/dbraw/zinc/63/81/04/825638104.db2.gz CRNGSJQDEIRVII-SRVKXCTJSA-N 1 3 283.372 -0.609 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145302 825641650 /nfs/dbraw/zinc/64/16/50/825641650.db2.gz MEDWIQIJWSWXFW-AVGNSLFASA-N 1 3 296.415 -0.646 20 0 CBADHO O=c1[nH][n-]cc1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246173246 825644684 /nfs/dbraw/zinc/64/46/84/825644684.db2.gz KRMUGLRAPMBNNA-GHMZBOCLSA-N 1 3 265.361 -0.818 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)C2)CN1 ZINC001246183981 825646977 /nfs/dbraw/zinc/64/69/77/825646977.db2.gz YDEZPKHIRCLZLA-SRVKXCTJSA-N 1 3 255.362 -0.179 20 0 CBADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(C)CC2)CC[NH2+]1 ZINC001246254452 825656861 /nfs/dbraw/zinc/65/68/61/825656861.db2.gz HNBRPWHRODUEHD-STQMWFEESA-N 1 3 268.405 -0.119 20 0 CBADHO OC[C@@H]1CNC[C@@H]1[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246302337 825662028 /nfs/dbraw/zinc/66/20/28/825662028.db2.gz DANOGJLWONNVQH-USZNOCQGSA-N 1 3 266.349 -0.673 20 0 CBADHO C[C@H]1C[C@H](NCCCN2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC001246335726 825665247 /nfs/dbraw/zinc/66/52/47/825665247.db2.gz LOIFWJYGPUOOSN-QWHCGFSZSA-N 1 3 289.445 -0.163 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)CCN1 ZINC001246335726 825665253 /nfs/dbraw/zinc/66/52/53/825665253.db2.gz LOIFWJYGPUOOSN-QWHCGFSZSA-N 1 3 289.445 -0.163 20 0 CBADHO CCOC(=O)C1=C(NC2C[C@@H]3COC[C@H](C2)N3)C[NH2+]C1 ZINC001246348938 825666492 /nfs/dbraw/zinc/66/64/92/825666492.db2.gz JENKRXJTGGOPMU-FGWVZKOKSA-N 1 3 281.356 -0.484 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246368478 825669376 /nfs/dbraw/zinc/66/93/76/825669376.db2.gz CKFNQOLEURCSGF-OBJOEFQTSA-N 1 3 296.415 -0.694 20 0 CBADHO CNC(=O)[C@H](CCCCN[C@H]1CCC[NH2+]C1)NC(C)=O ZINC001246412150 825671997 /nfs/dbraw/zinc/67/19/97/825671997.db2.gz XBJXEUPGSZJXFS-STQMWFEESA-N 1 3 284.404 -0.251 20 0 CBADHO CC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@](O)(CN)C2)C1 ZINC001246561685 825685782 /nfs/dbraw/zinc/68/57/82/825685782.db2.gz SBMZZRKOOPRETC-OLZOCXBDSA-N 1 3 255.362 -0.217 20 0 CBADHO CC(=O)N1CC[C@@H]([N@H+]2CCCC[C@](O)(CN)C2)C1 ZINC001246561685 825685789 /nfs/dbraw/zinc/68/57/89/825685789.db2.gz SBMZZRKOOPRETC-OLZOCXBDSA-N 1 3 255.362 -0.217 20 0 CBADHO [NH3+]C[C@H]1CN(C2CCN(C(=O)C(F)(F)F)CC2)C[C@@H]1O ZINC001246582491 825691097 /nfs/dbraw/zinc/69/10/97/825691097.db2.gz ZNCPQRVBCULMBB-WPRPVWTQSA-N 1 3 295.305 -0.209 20 0 CBADHO N[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCC1(F)F ZINC001246585934 825691562 /nfs/dbraw/zinc/69/15/62/825691562.db2.gz YTBNAHXCCUHKIH-NXEZZACHSA-N 1 3 260.332 -0.251 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@H]1CCCNC1)C2 ZINC001246642670 825701593 /nfs/dbraw/zinc/70/15/93/825701593.db2.gz MVDUKSFAHWEYMA-GVXVVHGQSA-N 1 3 254.330 -0.140 20 0 CBADHO COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCCNC1)C2 ZINC001246642670 825701600 /nfs/dbraw/zinc/70/16/00/825701600.db2.gz MVDUKSFAHWEYMA-GVXVVHGQSA-N 1 3 254.330 -0.140 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H](C3C[NH2+]C3)C2)CN1 ZINC001246680248 825706378 /nfs/dbraw/zinc/70/63/78/825706378.db2.gz SQLGFHXCZYPIIZ-DLOVCJGASA-N 1 3 253.346 -0.569 20 0 CBADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CCNCC2)O1 ZINC001246704505 825707552 /nfs/dbraw/zinc/70/75/52/825707552.db2.gz WDPCAKXXZGWUQR-MCIONIFRSA-N 1 3 297.399 -0.267 20 0 CBADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CCNCC2)O1 ZINC001246704505 825707556 /nfs/dbraw/zinc/70/75/56/825707556.db2.gz WDPCAKXXZGWUQR-MCIONIFRSA-N 1 3 297.399 -0.267 20 0 CBADHO COCc1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNC2 ZINC001246712151 825707583 /nfs/dbraw/zinc/70/75/83/825707583.db2.gz FEXZFKFTCDGMCB-SNVBAGLBSA-N 1 3 277.372 -0.101 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246856575 825722805 /nfs/dbraw/zinc/72/28/05/825722805.db2.gz CSOFLLFUNADAQM-QCNOEVLYSA-N 1 3 253.346 -0.569 20 0 CBADHO CC(=O)N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246860684 825724456 /nfs/dbraw/zinc/72/44/56/825724456.db2.gz WRCHCXLEHTZAGB-WCQYABFASA-N 1 3 266.389 -0.367 20 0 CBADHO c1ncc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246868253 825725170 /nfs/dbraw/zinc/72/51/70/825725170.db2.gz KZKYFJJKYCMARA-ZDUSSCGKSA-N 1 3 288.399 -0.307 20 0 CBADHO C[NH+](C)CCNC(=S)NCCN1CCC[C@H](O)C1 ZINC001249849654 825750977 /nfs/dbraw/zinc/75/09/77/825750977.db2.gz PFAIZQHOGKVLOB-NSHDSACASA-N 1 3 274.434 -0.531 20 0 CBADHO CN(CCO)CCC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713573 825928873 /nfs/dbraw/zinc/92/88/73/825928873.db2.gz FTMZGQFHHPJZDH-LLVKDONJSA-N 1 3 276.377 -0.407 20 0 CBADHO CC[NH+](CC)C[C@@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC001253180719 825903167 /nfs/dbraw/zinc/90/31/67/825903167.db2.gz HYEYDEFOTBZADF-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001253202914 825904639 /nfs/dbraw/zinc/90/46/39/825904639.db2.gz CCXIWJOJESFVFF-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCCC(=O)NC1 ZINC001253208234 825905578 /nfs/dbraw/zinc/90/55/78/825905578.db2.gz OTHPDRVFVAQVOB-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCN(C2COC2)C1 ZINC001253206933 825906037 /nfs/dbraw/zinc/90/60/37/825906037.db2.gz UHZIWBIUXRHTAB-JSGCOSHPSA-N 1 3 271.405 -0.248 20 0 CBADHO CC[NH+](CC)C[C@H](O)CNCCCCN1C(=O)C=CC1=O ZINC001253214398 825906898 /nfs/dbraw/zinc/90/68/98/825906898.db2.gz PZQAPLUEEFERKC-CYBMUJFWSA-N 1 3 297.399 -0.016 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001253216100 825907086 /nfs/dbraw/zinc/90/70/86/825907086.db2.gz HTPAZVGUSZGFDK-WUHRBBMRSA-N 1 3 260.378 -0.447 20 0 CBADHO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](CN)C(=O)OC)C1 ZINC001256017267 825997138 /nfs/dbraw/zinc/99/71/38/825997138.db2.gz OUMVUIIXJJUPHV-ZJUUUORDSA-N 1 3 273.333 -0.445 20 0 CBADHO C[C@@H](O)[C@@H](CO)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676305 826029296 /nfs/dbraw/zinc/02/92/96/826029296.db2.gz POGGMYPRBPPWHA-BLYZHGLHSA-N 1 3 272.389 -0.039 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001261379815 826508624 /nfs/dbraw/zinc/50/86/24/826508624.db2.gz NBPKZLZCZGWUOO-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001261379814 826508798 /nfs/dbraw/zinc/50/87/98/826508798.db2.gz NBPKZLZCZGWUOO-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN1CCC([NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001261435830 826513088 /nfs/dbraw/zinc/51/30/88/826513088.db2.gz HIQMVPYPGVBXSG-CQSZACIVSA-N 1 3 270.421 -0.722 20 0 CBADHO CSCC[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001261474709 826519839 /nfs/dbraw/zinc/51/98/39/826519839.db2.gz IQGGLBDLWDGWHH-UWVGGRQHSA-N 1 3 261.391 -0.357 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001262008118 826618297 /nfs/dbraw/zinc/61/82/97/826618297.db2.gz BCMMPPIGSQTOMO-VHSXEESVSA-N 1 3 251.334 -0.122 20 0 CBADHO CN1CCN(C2CC[NH+](CCOCCO)CC2)CC1 ZINC001262018201 826621692 /nfs/dbraw/zinc/62/16/92/826621692.db2.gz ZSDQIWPVJKUYNH-UHFFFAOYSA-N 1 3 271.405 -0.293 20 0 CBADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CCCCCC1 ZINC001263162826 826747420 /nfs/dbraw/zinc/74/74/20/826747420.db2.gz XUYYKCVTKAAYAP-TUAOUCFPSA-N 1 3 255.362 -0.300 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001263203042 826753223 /nfs/dbraw/zinc/75/32/23/826753223.db2.gz RQVRKWORDQOWAW-AEJSXWLSSA-N 1 3 257.334 -0.524 20 0 CBADHO CC(C)(CN1CCOCC1)C(=O)N1CCNCC[NH2+]CC1 ZINC001263210340 826753847 /nfs/dbraw/zinc/75/38/47/826753847.db2.gz IMNGMYMALBDNEX-UHFFFAOYSA-N 1 3 298.431 -0.634 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263274778 826761671 /nfs/dbraw/zinc/76/16/71/826761671.db2.gz LAHILPYXYZRFSR-ZBOXLXRLSA-N 1 3 255.362 -0.313 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(N)=O ZINC001265445101 826894033 /nfs/dbraw/zinc/89/40/33/826894033.db2.gz GEOXVOGNBDBABJ-UWVGGRQHSA-N 1 3 256.350 -0.998 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001265816562 826922859 /nfs/dbraw/zinc/92/28/59/826922859.db2.gz XWSHXGYBWZYTJN-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(N)=O ZINC001265851626 826929224 /nfs/dbraw/zinc/92/92/24/826929224.db2.gz QCHMKRIXBLNSLG-ZJUUUORDSA-N 1 3 268.361 -0.950 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001265852564 826930146 /nfs/dbraw/zinc/93/01/46/826930146.db2.gz FVYHGDLXTFBUIH-UWVGGRQHSA-N 1 3 258.366 -0.704 20 0 CBADHO NC(=O)C[N@@H+]1CCCC1CCCNC(=O)C1CCC(=O)N1 ZINC001266242061 826963775 /nfs/dbraw/zinc/96/37/75/826963775.db2.gz YLUOVUZHBDWCAY-QWRGUYRKSA-N 1 3 296.371 -0.889 20 0 CBADHO NC(=O)C[N@H+]1CCCC1CCCNC(=O)C1CCC(=O)N1 ZINC001266242061 826963778 /nfs/dbraw/zinc/96/37/78/826963778.db2.gz YLUOVUZHBDWCAY-QWRGUYRKSA-N 1 3 296.371 -0.889 20 0 CBADHO C[C@@H](O)C[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001266326681 826985225 /nfs/dbraw/zinc/98/52/25/826985225.db2.gz HGJURABSTFNHMI-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001266326681 826985230 /nfs/dbraw/zinc/98/52/30/826985230.db2.gz HGJURABSTFNHMI-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(N)=O ZINC001266561740 827021834 /nfs/dbraw/zinc/02/18/34/827021834.db2.gz DQEQQSCRQBZGQL-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCO)C1 ZINC001266810645 827071558 /nfs/dbraw/zinc/07/15/58/827071558.db2.gz CZXZXONDYHPXRV-NSHDSACASA-N 1 3 266.345 -0.227 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCNCC(=O)NC ZINC001266952543 827096894 /nfs/dbraw/zinc/09/68/94/827096894.db2.gz SCLZWPCRMNXWPK-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCNCC(=O)NC ZINC001266952543 827096900 /nfs/dbraw/zinc/09/69/00/827096900.db2.gz SCLZWPCRMNXWPK-UHFFFAOYSA-N 1 3 258.366 -0.878 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001267004622 827106683 /nfs/dbraw/zinc/10/66/83/827106683.db2.gz FZWXDHVILDZFBW-SNVBAGLBSA-N 1 3 258.366 -0.750 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072240 827112775 /nfs/dbraw/zinc/11/27/75/827112775.db2.gz WLTZFZWZOWTUJP-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072240 827112780 /nfs/dbraw/zinc/11/27/80/827112780.db2.gz WLTZFZWZOWTUJP-NSHDSACASA-N 1 3 270.377 -0.878 20 0 CBADHO CNC(=O)CNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267390002 827163469 /nfs/dbraw/zinc/16/34/69/827163469.db2.gz IUNRQKJBDBLPSO-UHFFFAOYSA-N 1 3 296.415 -0.344 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001267436654 827171270 /nfs/dbraw/zinc/17/12/70/827171270.db2.gz 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C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CN[C@H]2CCNC2=O)C1 ZINC001274367970 827985070 /nfs/dbraw/zinc/98/50/70/827985070.db2.gz IAGTZOJRXUQBDW-FAQRPARDSA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CN[C@@H]2CCNC2=O)C1 ZINC001274367972 827985594 /nfs/dbraw/zinc/98/55/94/827985594.db2.gz IAGTZOJRXUQBDW-LLGAQUFESA-N 1 3 294.399 -0.521 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CN[C@@H]2CCNC2=O)C1 ZINC001274367972 827985598 /nfs/dbraw/zinc/98/55/98/827985598.db2.gz IAGTZOJRXUQBDW-LLGAQUFESA-N 1 3 294.399 -0.521 20 0 CBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518448 827996541 /nfs/dbraw/zinc/99/65/41/827996541.db2.gz GVIPRERZVCGRSQ-YHQHFJRFSA-N 1 3 298.431 -0.031 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCOCCO ZINC001276002260 828129048 /nfs/dbraw/zinc/12/90/48/828129048.db2.gz JSINLDVKZHCKTK-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCOCCO ZINC001276002260 828129052 /nfs/dbraw/zinc/12/90/52/828129052.db2.gz JSINLDVKZHCKTK-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2CC1CC[NH2+]CC1 ZINC001276713712 828156885 /nfs/dbraw/zinc/15/68/85/828156885.db2.gz KNWJPOCYBDSPBW-OKILXGFUSA-N 1 3 280.416 -0.167 20 0 CBADHO C[NH+](C)CCN1CCC2(CN(C[C@H]3COCCO3)C2)C1 ZINC001277526625 828193271 /nfs/dbraw/zinc/19/32/71/828193271.db2.gz JCFAYCFCJKLQPH-AWEZNQCLSA-N 1 3 283.416 -0.029 20 0 CBADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278011512 828230625 /nfs/dbraw/zinc/23/06/25/828230625.db2.gz UDYOZZVAQBRSQT-BETUJISGSA-N 1 3 296.415 -0.536 20 0 CBADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278011512 828230632 /nfs/dbraw/zinc/23/06/32/828230632.db2.gz UDYOZZVAQBRSQT-BETUJISGSA-N 1 3 296.415 -0.536 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)CN1CCCC1 ZINC001278423194 828269668 /nfs/dbraw/zinc/26/96/68/828269668.db2.gz IHFPULJVUJPKHF-ZIAGYGMSSA-N 1 3 299.415 -0.330 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCO ZINC001278520904 828272687 /nfs/dbraw/zinc/27/26/87/828272687.db2.gz KDHURKOMLAVZHO-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001349317464 890792471 /nfs/dbraw/zinc/79/24/71/890792471.db2.gz CEDBIKIVEOKYIF-VHSXEESVSA-N 1 3 266.345 -0.747 20 0 CBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201678840 884746461 /nfs/dbraw/zinc/74/64/61/884746461.db2.gz QJMFAWKXNFCWIV-ZDUSSCGKSA-N 1 3 287.404 -0.472 20 0 CBADHO O[C@@H]1CCC[C@H]1N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC001328438523 885687311 /nfs/dbraw/zinc/68/73/11/885687311.db2.gz ZTUJOXHHXHTDGR-MGPQQGTHSA-N 1 3 269.389 -0.494 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CCC[NH2+]CC2)n1 ZINC001329568383 886123133 /nfs/dbraw/zinc/12/31/33/886123133.db2.gz FKOUCAVPQKAEHE-SECBINFHSA-N 1 3 251.334 -0.127 20 0 CBADHO CN1CCN(C2CCN(C(=O)CCC[NH3+])CC2)CC1 ZINC001330034122 886331005 /nfs/dbraw/zinc/33/10/05/886331005.db2.gz HSCQZLICGBPLKN-UHFFFAOYSA-N 1 3 268.405 -0.036 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330869774 886606965 /nfs/dbraw/zinc/60/69/65/886606965.db2.gz HEIGPNJNRGPUJM-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO [NH3+]C1(CN[C@@H](C2CC2)[C@@H]2CNCCO2)CCOCC1 ZINC001331852839 887014523 /nfs/dbraw/zinc/01/45/23/887014523.db2.gz YKQWRNXVWAGSCP-STQMWFEESA-N 1 3 269.389 -0.149 20 0 CBADHO [NH3+]C1(CN[C@H](C2CC2)[C@@H]2CNCCO2)CCOCC1 ZINC001331852834 887015275 /nfs/dbraw/zinc/01/52/75/887015275.db2.gz YKQWRNXVWAGSCP-QWHCGFSZSA-N 1 3 269.389 -0.149 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC001332500673 887321830 /nfs/dbraw/zinc/32/18/30/887321830.db2.gz WWOVCKQPJOMEKF-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCF)N(C)C ZINC001332574671 887360603 /nfs/dbraw/zinc/36/06/03/887360603.db2.gz GLYXVBUBOROOHF-QWRGUYRKSA-N 1 3 263.357 -0.295 20 0 CBADHO COCC[C@@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001333177135 887553367 /nfs/dbraw/zinc/55/33/67/887553367.db2.gz CUVYWSNUYSSAMX-SFYZADRCSA-N 1 3 251.277 -0.536 20 0 CBADHO CC(C)NC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001334774463 888320448 /nfs/dbraw/zinc/32/04/48/888320448.db2.gz IMWBDLDQPPBKMB-BETUJISGSA-N 1 3 268.405 -0.134 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCN1CCCCC1 ZINC001340789252 889487175 /nfs/dbraw/zinc/48/71/75/889487175.db2.gz ISXQVRLCQOSBJF-RYUDHWBXSA-N 1 3 257.378 -0.195 20 0 CBADHO N[C@@H](CC1CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056989 889536348 /nfs/dbraw/zinc/53/63/48/889536348.db2.gz RNCHYZGBBQFMNZ-LBPRGKRZSA-N 1 3 254.378 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC001341056642 889536681 /nfs/dbraw/zinc/53/66/81/889536681.db2.gz MQLIWQGRLJRHKD-UHFFFAOYSA-N 1 3 256.394 -0.134 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001341672954 889646888 /nfs/dbraw/zinc/64/68/88/889646888.db2.gz RHJKBJAPNCQWLQ-NHCYSSNCSA-N 1 3 255.362 -0.444 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC001342256555 889740395 /nfs/dbraw/zinc/74/03/95/889740395.db2.gz RWIPHNDRQHXIEL-OLZOCXBDSA-N 1 3 265.357 -0.405 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC001342567350 889791901 /nfs/dbraw/zinc/79/19/01/889791901.db2.gz ANTLHHSRMHKWFR-VWYCJHECSA-N 1 3 268.361 -0.937 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1=O ZINC001343697217 889951224 /nfs/dbraw/zinc/95/12/24/889951224.db2.gz HRKIQHQCPQNGKW-GMTAPVOTSA-N 1 3 268.361 -0.998 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001444429453 912448439 /nfs/dbraw/zinc/44/84/39/912448439.db2.gz CKUOPZFWTWDKNA-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444602115 912477413 /nfs/dbraw/zinc/47/74/13/912477413.db2.gz ZPYDSBPFUYDYQK-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444602115 912477422 /nfs/dbraw/zinc/47/74/22/912477422.db2.gz ZPYDSBPFUYDYQK-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444763074 912503974 /nfs/dbraw/zinc/50/39/74/912503974.db2.gz WHQRATQPUGRXEY-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444763074 912503983 /nfs/dbraw/zinc/50/39/83/912503983.db2.gz WHQRATQPUGRXEY-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445313885 912630014 /nfs/dbraw/zinc/63/00/14/912630014.db2.gz OKMNCBZZZHELDH-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445313885 912630020 /nfs/dbraw/zinc/63/00/20/912630020.db2.gz OKMNCBZZZHELDH-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001445480739 912675063 /nfs/dbraw/zinc/67/50/63/912675063.db2.gz JJGMZPZAEUJPOY-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+](C)C ZINC001445604551 912711272 /nfs/dbraw/zinc/71/12/72/912711272.db2.gz JTNKPADETBPPRZ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH+](C)CCCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001446231670 912845914 /nfs/dbraw/zinc/84/59/14/912845914.db2.gz YDHGAXLZHUUUIT-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001188158867 884720571 /nfs/dbraw/zinc/72/05/71/884720571.db2.gz XNQYRHKVJBTUNO-OLZOCXBDSA-N 1 3 296.415 -0.252 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001210041184 884759639 /nfs/dbraw/zinc/75/96/39/884759639.db2.gz QXMANCFLWRFVEB-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001210041184 884759650 /nfs/dbraw/zinc/75/96/50/884759650.db2.gz QXMANCFLWRFVEB-VXGBXAGGSA-N 1 3 257.378 -0.243 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001211353696 884773044 /nfs/dbraw/zinc/77/30/44/884773044.db2.gz HXAZHFKIOFGHHE-WDEREUQCSA-N 1 3 271.361 -0.452 20 0 CBADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@H](N)CCC[NH3+])cc1 ZINC001219386016 884791055 /nfs/dbraw/zinc/79/10/55/884791055.db2.gz BMMZMWTXCGQBAZ-SNVBAGLBSA-N 1 3 291.311 -0.208 20 0 CBADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001446445954 912885368 /nfs/dbraw/zinc/88/53/68/912885368.db2.gz QEAMGXOUFRXBIO-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001446455679 912888599 /nfs/dbraw/zinc/88/85/99/912888599.db2.gz MMKBOWOFMIGPPW-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001326936932 885197662 /nfs/dbraw/zinc/19/76/62/885197662.db2.gz JKUPMWHOMNBXTN-SCZZXKLOSA-N 1 3 252.322 -0.753 20 0 CBADHO COCCNCC(=O)NCc1ccccc1C[NH3+] ZINC001327074020 885243595 /nfs/dbraw/zinc/24/35/95/885243595.db2.gz TVFAFEBYZNDACI-UHFFFAOYSA-N 1 3 251.330 -0.003 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC001327230361 885293823 /nfs/dbraw/zinc/29/38/23/885293823.db2.gz HOWLOGPGTADDMR-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]([NH3+])C2CCC2)n1 ZINC001327578654 885414035 /nfs/dbraw/zinc/41/40/35/885414035.db2.gz JPUZXBQGWYPFRU-NSHDSACASA-N 1 3 265.317 -0.616 20 0 CBADHO [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001327682024 885451982 /nfs/dbraw/zinc/45/19/82/885451982.db2.gz ITGRXMHCYFJDRK-OLZOCXBDSA-N 1 3 296.415 -0.025 20 0 CBADHO C[C@H](CCCC[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327819223 885486637 /nfs/dbraw/zinc/48/66/37/885486637.db2.gz POOPGCHDCXFJPI-SECBINFHSA-N 1 3 296.375 -0.042 20 0 CBADHO C[C@H](Cn1cncn1)[NH2+]CC1(O)CCN(C)CC1 ZINC001328086396 885569067 /nfs/dbraw/zinc/56/90/67/885569067.db2.gz RRTPKWPCBHBURY-LLVKDONJSA-N 1 3 253.350 -0.287 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001446788182 912949663 /nfs/dbraw/zinc/94/96/63/912949663.db2.gz BCERVYVKUKUPNS-GXTWGEPZSA-N 1 3 287.404 -0.738 20 0 CBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001446788182 912949672 /nfs/dbraw/zinc/94/96/72/912949672.db2.gz BCERVYVKUKUPNS-GXTWGEPZSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@H](N)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001328180847 885591739 /nfs/dbraw/zinc/59/17/39/885591739.db2.gz BXYLOXJQYTVULG-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001328455023 885694000 /nfs/dbraw/zinc/69/40/00/885694000.db2.gz MVRAKQNSECWDJR-UONOGXRCSA-N 1 3 298.431 -0.506 20 0 CBADHO CN(C)CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328655969 885763766 /nfs/dbraw/zinc/76/37/66/885763766.db2.gz AIOYRKDNNFHCQY-UHFFFAOYSA-N 1 3 296.375 -0.939 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001328841325 885826245 /nfs/dbraw/zinc/82/62/45/885826245.db2.gz NRZXOZWKXROJKQ-AWEZNQCLSA-N 1 3 299.463 -0.591 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039227 913003506 /nfs/dbraw/zinc/00/35/06/913003506.db2.gz KFBIHJMAIIVDQI-UKRRQHHQSA-N 1 3 299.415 -0.736 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001447039227 913003521 /nfs/dbraw/zinc/00/35/21/913003521.db2.gz KFBIHJMAIIVDQI-UKRRQHHQSA-N 1 3 299.415 -0.736 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCCC[NH3+] ZINC001329729027 886187305 /nfs/dbraw/zinc/18/73/05/886187305.db2.gz ZHTIAYVWPJKTLP-UHFFFAOYSA-N 1 3 284.404 -0.214 20 0 CBADHO C[NH2+]CCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329822311 886227069 /nfs/dbraw/zinc/22/70/69/886227069.db2.gz AKYDUABBGRMFRF-UHFFFAOYSA-N 1 3 268.321 -0.998 20 0 CBADHO C[NH2+]CCC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330035279 886335016 /nfs/dbraw/zinc/33/50/16/886335016.db2.gz OCEJTOHULNEGCU-UHFFFAOYSA-N 1 3 268.405 -0.166 20 0 CBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC001331474824 886816572 /nfs/dbraw/zinc/81/65/72/886816572.db2.gz LCOWMEOQKJSUQR-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001447535431 913092880 /nfs/dbraw/zinc/09/28/80/913092880.db2.gz GLIBWFVSMVANQP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447534484 913094095 /nfs/dbraw/zinc/09/40/95/913094095.db2.gz BQZJPQREEXJVLK-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001331707713 886923838 /nfs/dbraw/zinc/92/38/38/886923838.db2.gz NVQKWTOFDLHDSB-MWLCHTKSSA-N 1 3 263.345 -0.297 20 0 CBADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001331707707 886924031 /nfs/dbraw/zinc/92/40/31/886924031.db2.gz NVQKWTOFDLHDSB-GXSJLCMTSA-N 1 3 263.345 -0.297 20 0 CBADHO COCCN[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331712913 886930153 /nfs/dbraw/zinc/93/01/53/886930153.db2.gz VVGNLDQUVUTDIT-QWHCGFSZSA-N 1 3 285.388 -0.959 20 0 CBADHO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001331713146 886931147 /nfs/dbraw/zinc/93/11/47/886931147.db2.gz VCMRYYZRINQPFL-NXEZZACHSA-N 1 3 257.309 -0.865 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC1)N(C)C ZINC001331737830 886946249 /nfs/dbraw/zinc/94/62/49/886946249.db2.gz DHANCVGUZCPLEG-NWDGAFQWSA-N 1 3 257.378 -0.197 20 0 CBADHO C[NH+](C)C[C@@]1(O)CCCN(C[C@H]2CNC(=O)C2)C1 ZINC001331791249 886985181 /nfs/dbraw/zinc/98/51/81/886985181.db2.gz MIUCLANEVZUIJN-YPMHNXCESA-N 1 3 255.362 -0.489 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331967768 887069360 /nfs/dbraw/zinc/06/93/60/887069360.db2.gz CCEZVRLFAITONJ-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO COCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001331967768 887069374 /nfs/dbraw/zinc/06/93/74/887069374.db2.gz CCEZVRLFAITONJ-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH]cn1 ZINC001332026355 887087636 /nfs/dbraw/zinc/08/76/36/887087636.db2.gz JZLUWUONHHRKRN-WCQYABFASA-N 1 3 296.371 -0.460 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC1 ZINC001332267648 887177637 /nfs/dbraw/zinc/17/76/37/887177637.db2.gz PVKNKAZWTBAIRD-QWHCGFSZSA-N 1 3 294.399 -0.450 20 0 CBADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC001332330412 887206075 /nfs/dbraw/zinc/20/60/75/887206075.db2.gz BOAHHXHKPNRGSH-TXEJJXNPSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)(N)c1noc(CN2CCNCC[NH2+]CC2)n1 ZINC001332364333 887229390 /nfs/dbraw/zinc/22/93/90/887229390.db2.gz MZJPAKAWTLASNF-UHFFFAOYSA-N 1 3 268.365 -0.742 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NCC[C@H]1CNCCS1(=O)=O ZINC001332403474 887264876 /nfs/dbraw/zinc/26/48/76/887264876.db2.gz WXCAIESKXNTWFF-DCAQKATOSA-N 1 3 263.407 -0.522 20 0 CBADHO [NH3+]CCOCCN1CCC(c2nnc3n2CCNC3)CC1 ZINC001332423853 887274262 /nfs/dbraw/zinc/27/42/62/887274262.db2.gz HFNCHFIQPSFZPB-UHFFFAOYSA-N 1 3 294.403 -0.464 20 0 CBADHO CN(C)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC001332550402 887351186 /nfs/dbraw/zinc/35/11/86/887351186.db2.gz ONFXDFKVSJRGSQ-UHFFFAOYSA-N 1 3 254.378 -0.748 20 0 CBADHO CN(C)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001332550402 887351203 /nfs/dbraw/zinc/35/12/03/887351203.db2.gz ONFXDFKVSJRGSQ-UHFFFAOYSA-N 1 3 254.378 -0.748 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1CCC[NH2+]C1CC1 ZINC001332815729 887438374 /nfs/dbraw/zinc/43/83/74/887438374.db2.gz KORYORXJQLPBPJ-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001333000128 887497838 /nfs/dbraw/zinc/49/78/38/887497838.db2.gz LUHIQZNJCRMAFU-MVWJERBFSA-N 1 3 266.345 -0.215 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001333178798 887554809 /nfs/dbraw/zinc/55/48/09/887554809.db2.gz OXKYMHRTIVBQBH-NWDGAFQWSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC001333321250 887596367 /nfs/dbraw/zinc/59/63/67/887596367.db2.gz YXRVZOFOCJAHIU-SNVBAGLBSA-N 1 3 251.334 -0.297 20 0 CBADHO C[C@@H]1CCN(C(=O)c2c(CN)cnn2C)C[C@H]1C[NH3+] ZINC001333338891 887601808 /nfs/dbraw/zinc/60/18/08/887601808.db2.gz TXBLNFMFPYMQLL-MWLCHTKSSA-N 1 3 265.361 -0.064 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531569 887676173 /nfs/dbraw/zinc/67/61/73/887676173.db2.gz BHYSDAMCZDTTJO-BQBZGAKWSA-N 1 3 268.321 -0.824 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333635654 887730188 /nfs/dbraw/zinc/73/01/88/887730188.db2.gz KBRNSTAIFUNMJC-VXNVDRBHSA-N 1 3 265.317 -0.745 20 0 CBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC001333682497 887742558 /nfs/dbraw/zinc/74/25/58/887742558.db2.gz FBYBXOKVDHZZFJ-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO NCC(C[NH3+])NC[C@H](O)COc1ccccc1F ZINC001334336933 887925264 /nfs/dbraw/zinc/92/52/64/887925264.db2.gz FTVSEAKIZSACMD-JTQLQIEISA-N 1 3 257.309 -0.559 20 0 CBADHO [NH3+]C[C@H]1CC2(CO1)CCN([C@@H]1CCNC1=O)CC2 ZINC001334336956 887925625 /nfs/dbraw/zinc/92/56/25/887925625.db2.gz FVSJBFUWCHMLLG-GHMZBOCLSA-N 1 3 253.346 -0.295 20 0 CBADHO CC(=O)NCC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001335190140 888438114 /nfs/dbraw/zinc/43/81/14/888438114.db2.gz HLTHQNATFRECTJ-AVGNSLFASA-N 1 3 255.362 -0.315 20 0 CBADHO O=C1C[C@@H](CCNC[C@@H](O)C[NH+]2CCCC2)CN1 ZINC001335318425 888498165 /nfs/dbraw/zinc/49/81/65/888498165.db2.gz HAQJDPMEDISJDW-VXGBXAGGSA-N 1 3 255.362 -0.441 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001335520253 888553410 /nfs/dbraw/zinc/55/34/10/888553410.db2.gz SIMOFTUJORFITM-OWCLPIDISA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC001335725515 888613757 /nfs/dbraw/zinc/61/37/57/888613757.db2.gz DXEVQZWHWFXRCA-LLVKDONJSA-N 1 3 258.366 -0.567 20 0 CBADHO C[C@@H]1CN(CCO)[C@@H](C)CN1c1nccnc1C[NH3+] ZINC001336659682 888835725 /nfs/dbraw/zinc/83/57/25/888835725.db2.gz CUEYUWSRLJRWLR-WDEREUQCSA-N 1 3 265.361 -0.173 20 0 CBADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CN(C)CCN1C ZINC001336779114 888878416 /nfs/dbraw/zinc/87/84/16/888878416.db2.gz GSVPRZISMCISTH-ZNMIVQPWSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CN(C)CCN1C ZINC001336779112 888878892 /nfs/dbraw/zinc/87/88/92/888878892.db2.gz GSVPRZISMCISTH-RRFJBIMHSA-N 1 3 284.448 -0.333 20 0 CBADHO CN1CCN(CCCCNC(=O)NCC2([NH3+])CC2)CC1 ZINC001336829996 888894691 /nfs/dbraw/zinc/89/46/91/888894691.db2.gz FSOKKGGBTWXGPS-UHFFFAOYSA-N 1 3 283.420 -0.196 20 0 CBADHO CC1(C)CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1[NH3+] ZINC001336923451 888923574 /nfs/dbraw/zinc/92/35/74/888923574.db2.gz PYAUPJJRHSFGEJ-VHSXEESVSA-N 1 3 256.350 -0.647 20 0 CBADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC001337399842 888998859 /nfs/dbraw/zinc/99/88/59/888998859.db2.gz AVURQWGEMQNOGT-UHFFFAOYSA-N 1 3 296.415 -0.073 20 0 CBADHO CCNC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001337834022 889086999 /nfs/dbraw/zinc/08/69/99/889086999.db2.gz KEGKNMQJUXPMBW-TXEJJXNPSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001340041468 889369411 /nfs/dbraw/zinc/36/94/11/889369411.db2.gz KCVXLHOZIBXFBO-MBNYWOFBSA-N 1 3 269.389 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448659204 913342526 /nfs/dbraw/zinc/34/25/26/913342526.db2.gz QTSVPRQFRVXCOU-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340248235 889413347 /nfs/dbraw/zinc/41/33/47/889413347.db2.gz HRRSPHNBUUQXNQ-ZFWWWQNUSA-N 1 3 298.431 -0.757 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340248234 889415562 /nfs/dbraw/zinc/41/55/62/889415562.db2.gz HRRSPHNBUUQXNQ-UKRRQHHQSA-N 1 3 298.431 -0.757 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340298714 889419200 /nfs/dbraw/zinc/41/92/00/889419200.db2.gz XAEBDXXMLJWTKQ-OCCSQVGLSA-N 1 3 266.389 -0.508 20 0 CBADHO C[C@@H]1CCN(C(=O)[C@@H]2CNCCN2C)C[C@@H]1C[NH3+] ZINC001340334897 889421800 /nfs/dbraw/zinc/42/18/00/889421800.db2.gz UWBIRJQXCOMVDN-WOPDTQHZSA-N 1 3 254.378 -0.667 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC[N@@H+]1C ZINC001340473359 889437072 /nfs/dbraw/zinc/43/70/72/889437072.db2.gz PSCWFZYVTKTDMA-SDDRHHMPSA-N 1 3 267.373 -0.036 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC[N@H+]1C ZINC001340473359 889437080 /nfs/dbraw/zinc/43/70/80/889437080.db2.gz PSCWFZYVTKTDMA-SDDRHHMPSA-N 1 3 267.373 -0.036 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001340652989 889459938 /nfs/dbraw/zinc/45/99/38/889459938.db2.gz QAIDMGSOXWPMAX-NWDGAFQWSA-N 1 3 266.389 -0.319 20 0 CBADHO O=C(C1=CCC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC001340676936 889464795 /nfs/dbraw/zinc/46/47/95/889464795.db2.gz NTJIETXFFFHMRO-UHFFFAOYSA-N 1 3 251.330 -0.503 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001340731541 889474410 /nfs/dbraw/zinc/47/44/10/889474410.db2.gz YXXBGUPHOPYDBI-FPMFFAJLSA-N 1 3 266.389 -0.652 20 0 CBADHO C[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@@H](O)C[NH2+]1 ZINC001340843660 889495875 /nfs/dbraw/zinc/49/58/75/889495875.db2.gz JULZGRUGOSUEJX-YRGRVCCFSA-N 1 3 267.373 -0.204 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001340942215 889520705 /nfs/dbraw/zinc/52/07/05/889520705.db2.gz BKKFVUJKRWPACY-RNFRBKRXSA-N 1 3 251.277 -0.802 20 0 CBADHO O=C([C@H]1Cc2ccccc2CN1)N1CCNCC[NH2+]CC1 ZINC001341107033 889544186 /nfs/dbraw/zinc/54/41/86/889544186.db2.gz BSFUMOZSTFQCFE-OAHLLOKOSA-N 1 3 288.395 -0.278 20 0 CBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001448721418 913358620 /nfs/dbraw/zinc/35/86/20/913358620.db2.gz RXBXDMOHOWVNPT-YPMHNXCESA-N 1 3 296.415 -0.347 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@H]1[NH2+]CC12CCCC2 ZINC001341294431 889571453 /nfs/dbraw/zinc/57/14/53/889571453.db2.gz YVCVIQANTTUBTK-GHMZBOCLSA-N 1 3 253.346 -0.377 20 0 CBADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNCCN2C)C1 ZINC001341672300 889645066 /nfs/dbraw/zinc/64/50/66/889645066.db2.gz CUYOETAQIMEBDM-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNCCN2C)C1 ZINC001341672300 889645071 /nfs/dbraw/zinc/64/50/71/889645071.db2.gz CUYOETAQIMEBDM-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)CON)CC2)CC1 ZINC001341677562 889645459 /nfs/dbraw/zinc/64/54/59/889645459.db2.gz OVRDFXXHAQEUFU-UHFFFAOYSA-N 1 3 270.377 -0.449 20 0 CBADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCCN2C)C1 ZINC001341672298 889646227 /nfs/dbraw/zinc/64/62/27/889646227.db2.gz CUYOETAQIMEBDM-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCCN2C)C1 ZINC001341672298 889646237 /nfs/dbraw/zinc/64/62/37/889646237.db2.gz CUYOETAQIMEBDM-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO C[C@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H](O)C[NH2+]1 ZINC001341695505 889649428 /nfs/dbraw/zinc/64/94/28/889649428.db2.gz GNLJTKJRGXCSAH-OUCADQQQSA-N 1 3 267.373 -0.300 20 0 CBADHO COCCNCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341708182 889651375 /nfs/dbraw/zinc/65/13/75/889651375.db2.gz HEKHLAQTGOGDJX-RKDXNWHRSA-N 1 3 283.294 -0.040 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001341777545 889660434 /nfs/dbraw/zinc/66/04/34/889660434.db2.gz JPEUBCZEJIQZDT-MXWKQRLJSA-N 1 3 269.345 -0.523 20 0 CBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CCN1 ZINC001341763739 889660733 /nfs/dbraw/zinc/66/07/33/889660733.db2.gz FXKLUPZNDMSMDW-NEPJUHHUSA-N 1 3 254.378 -0.654 20 0 CBADHO CCO[C@H](CNC(=O)[C@H](N)CCOC)C[NH+](C)C ZINC001341798378 889666766 /nfs/dbraw/zinc/66/67/66/889666766.db2.gz XJLZUTQRSNQVQW-GHMZBOCLSA-N 1 3 261.366 -0.567 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001341873584 889676543 /nfs/dbraw/zinc/67/65/43/889676543.db2.gz VCAVHPIDGDHAGR-VHSXEESVSA-N 1 3 257.334 -0.536 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341873582 889676745 /nfs/dbraw/zinc/67/67/45/889676745.db2.gz VCAVHPIDGDHAGR-NXEZZACHSA-N 1 3 257.334 -0.536 20 0 CBADHO C[NH2+]C1CC(C(=O)N2CCC3(CC2)CNCCO3)C1 ZINC001341951861 889689589 /nfs/dbraw/zinc/68/95/89/889689589.db2.gz UDSPBXFEOOIILW-UHFFFAOYSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N[C@H]1C[NH2+]CC12CC2 ZINC001342200455 889730573 /nfs/dbraw/zinc/73/05/73/889730573.db2.gz IGSPAFRFEWBHSR-QWRGUYRKSA-N 1 3 253.346 -0.377 20 0 CBADHO COC[C@@]1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCCN1 ZINC001342213194 889731611 /nfs/dbraw/zinc/73/16/11/889731611.db2.gz NNNBWFSMGCRTLN-NQBHXWOUSA-N 1 3 255.362 -0.001 20 0 CBADHO CN(C)Cc1cccc(C(=O)NC[C@H](O)C[NH3+])c1 ZINC001342235918 889735310 /nfs/dbraw/zinc/73/53/10/889735310.db2.gz ORHXFOBSPAUIKS-GFCCVEGCSA-N 1 3 251.330 -0.202 20 0 CBADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373713 889765379 /nfs/dbraw/zinc/76/53/79/889765379.db2.gz IMOSHXUIWRLVCZ-RYUDHWBXSA-N 1 3 268.405 -0.216 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001342373711 889765474 /nfs/dbraw/zinc/76/54/74/889765474.db2.gz IMOSHXUIWRLVCZ-NWDGAFQWSA-N 1 3 268.405 -0.216 20 0 CBADHO CC1(C)CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC001342507421 889787290 /nfs/dbraw/zinc/78/72/90/889787290.db2.gz YURXQBQOCUDOCP-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO CC[C@@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001342525682 889789535 /nfs/dbraw/zinc/78/95/35/889789535.db2.gz YJWWKIKDWCOHGI-WTBMIXGQSA-N 1 3 269.345 -0.537 20 0 CBADHO COCC[C@H](N)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342583131 889795449 /nfs/dbraw/zinc/79/54/49/889795449.db2.gz JIRIOLLMROHTRE-DMDPSCGWSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(C[NH2+]C1CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001342695839 889818245 /nfs/dbraw/zinc/81/82/45/889818245.db2.gz KYCQKSNHXLXLFW-STQMWFEESA-N 1 3 267.373 -0.204 20 0 CBADHO [NH3+]CCCn1ccc(C(=O)N2CCN3CC[C@H]2C3)n1 ZINC001342901140 889842571 /nfs/dbraw/zinc/84/25/71/889842571.db2.gz DIBAJOLHJGNKGR-NSHDSACASA-N 1 3 263.345 -0.238 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342940533 889848177 /nfs/dbraw/zinc/84/81/77/889848177.db2.gz FYRWXIVUNOFTSC-SGIHWFKDSA-N 1 3 255.318 -0.724 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001343451222 889912919 /nfs/dbraw/zinc/91/29/19/889912919.db2.gz BFQSCZKRJRQQNE-YNEHKIRRSA-N 1 3 268.405 -0.277 20 0 CBADHO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001343474676 889915388 /nfs/dbraw/zinc/91/53/88/889915388.db2.gz XLVFXGKPVHQWRV-QNWHQSFQSA-N 1 3 267.373 -0.219 20 0 CBADHO N[C@@H]1CCCn2nc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc21 ZINC001343505883 889926681 /nfs/dbraw/zinc/92/66/81/889926681.db2.gz BKQSXLVETZCNBX-SREGZZRCSA-N 1 3 261.329 -0.376 20 0 CBADHO CSCC[C@H]([NH3+])CC(=O)NC[C@H]1CNCCO1 ZINC001343672150 889947378 /nfs/dbraw/zinc/94/73/78/889947378.db2.gz IRQDHQQTRUMAEV-VHSXEESVSA-N 1 3 261.391 -0.439 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343713564 889952317 /nfs/dbraw/zinc/95/23/17/889952317.db2.gz GWKPLBPTGUKWNX-VXGBXAGGSA-N 1 3 254.378 -0.604 20 0 CBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001344012007 889989466 /nfs/dbraw/zinc/98/94/66/889989466.db2.gz SLSLYKSCFUECQJ-QIOFFNHISA-N 1 3 265.357 -0.355 20 0 CBADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001344373381 890018636 /nfs/dbraw/zinc/01/86/36/890018636.db2.gz FHNMCXTXBNSGOM-NEPJUHHUSA-N 1 3 255.362 -0.313 20 0 CBADHO N[C@H](CC(F)F)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001344375012 890019373 /nfs/dbraw/zinc/01/93/73/890019373.db2.gz QLQYXERSPPFUKX-DTWKUNHWSA-N 1 3 265.304 -0.458 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001344504668 890032465 /nfs/dbraw/zinc/03/24/65/890032465.db2.gz HUROBEAVRCJPCB-GBIKHYSHSA-N 1 3 269.345 -0.332 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N(CC[NH3+])CC(F)(F)F ZINC001344527141 890035191 /nfs/dbraw/zinc/03/51/91/890035191.db2.gz GFQATNOMLGWANM-MRVPVSSYSA-N 1 3 268.283 -0.760 20 0 CBADHO COCCNCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001345780211 890164258 /nfs/dbraw/zinc/16/42/58/890164258.db2.gz BHRADKOIDOXFAH-ZDUSSCGKSA-N 1 3 299.415 -0.161 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)N3CCNCC3)C[C@@H]21 ZINC001346018226 890195731 /nfs/dbraw/zinc/19/57/31/890195731.db2.gz SRBIAISMOCNPRT-FRRDWIJNSA-N 1 3 266.389 -0.523 20 0 CBADHO [NH3+]CCCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001346208748 890239726 /nfs/dbraw/zinc/23/97/26/890239726.db2.gz BECIXIIUCXPCER-NWDGAFQWSA-N 1 3 255.362 -0.217 20 0 CBADHO C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)CN1CCN(C)CC1 ZINC001346333140 890270815 /nfs/dbraw/zinc/27/08/15/890270815.db2.gz PGGIIHMNGUWGGE-UONOGXRCSA-N 1 3 299.463 -0.735 20 0 CBADHO CC[C@@]1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC001347182143 890428081 /nfs/dbraw/zinc/42/80/81/890428081.db2.gz YPJIQMISLYMECJ-GFCCVEGCSA-N 1 3 253.346 -0.423 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001349808645 890893881 /nfs/dbraw/zinc/89/38/81/890893881.db2.gz QGNCMMPIPGHATG-CMPLNLGQSA-N 1 3 282.388 -0.560 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001349808164 890894221 /nfs/dbraw/zinc/89/42/21/890894221.db2.gz LUOYCIJOGLCDPM-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CC[NH2+]1 ZINC001350405073 890979889 /nfs/dbraw/zinc/97/98/89/890979889.db2.gz JBMRLHUSWHNFGY-NWDGAFQWSA-N 1 3 253.346 -0.282 20 0 CBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001352849696 891307319 /nfs/dbraw/zinc/30/73/19/891307319.db2.gz NWAOWWIWDXTQJC-JGLYPNHGSA-N 1 3 265.357 -0.401 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CC[NH+](C)C ZINC001352862017 891312123 /nfs/dbraw/zinc/31/21/23/891312123.db2.gz LRCDQRIDPFUSIT-AVGNSLFASA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@@H](CC[NH2+]C[C@@H](O)C1(O)CCOCC1)N(C)C ZINC001353288457 891396005 /nfs/dbraw/zinc/39/60/05/891396005.db2.gz ZXQBQEVDCZPLQG-NWDGAFQWSA-N 1 3 260.378 -0.181 20 0 CBADHO C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C1=CCN(C)CC1 ZINC001353132687 891364984 /nfs/dbraw/zinc/36/49/84/891364984.db2.gz WDTKDOYTFFMKAN-NQBHXWOUSA-N 1 3 294.399 -0.394 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001353271451 891393256 /nfs/dbraw/zinc/39/32/56/891393256.db2.gz ANCZJEHZQWUZQA-CQSZACIVSA-N 1 3 281.404 -0.529 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC001353278987 891393777 /nfs/dbraw/zinc/39/37/77/891393777.db2.gz QPQQWKQTMVJVIS-HAQNSBGRSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001353292081 891394705 /nfs/dbraw/zinc/39/47/05/891394705.db2.gz ICQLPNAMJPYYCU-GVXVVHGQSA-N 1 3 294.399 -0.394 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(OCC(N)=O)CC1 ZINC001353937223 891491384 /nfs/dbraw/zinc/49/13/84/891491384.db2.gz ZSANWPNDTGEYQI-MNOVXSKESA-N 1 3 255.362 -0.192 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001354524327 891590777 /nfs/dbraw/zinc/59/07/77/891590777.db2.gz VMEZXYCAXIGHTI-YNEHKIRRSA-N 1 3 266.389 -0.557 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001354524327 891590785 /nfs/dbraw/zinc/59/07/85/891590785.db2.gz VMEZXYCAXIGHTI-YNEHKIRRSA-N 1 3 266.389 -0.557 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354780455 891615489 /nfs/dbraw/zinc/61/54/89/891615489.db2.gz CEJPIBHBPRGKQR-PRJMDXOYSA-N 1 3 269.267 -0.302 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001354894268 891627050 /nfs/dbraw/zinc/62/70/50/891627050.db2.gz UAHXJSZVAXXFBM-YFKTTZPYSA-N 1 3 255.362 -0.038 20 0 CBADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](N)C(C)(C)O)[C@H]2C1 ZINC001356402664 891753117 /nfs/dbraw/zinc/75/31/17/891753117.db2.gz SVPNAZHGEWDLGR-XWLWVQCSSA-N 1 3 255.362 -0.459 20 0 CBADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](N)C(C)(C)O)[C@H]2C1 ZINC001356402664 891753129 /nfs/dbraw/zinc/75/31/29/891753129.db2.gz SVPNAZHGEWDLGR-XWLWVQCSSA-N 1 3 255.362 -0.459 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001356412505 891756979 /nfs/dbraw/zinc/75/69/79/891756979.db2.gz KFTAQUJJSDEANZ-NOOOWODRSA-N 1 3 255.362 -0.193 20 0 CBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001356412505 891756985 /nfs/dbraw/zinc/75/69/85/891756985.db2.gz KFTAQUJJSDEANZ-NOOOWODRSA-N 1 3 255.362 -0.193 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001357397079 891886000 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CN(CCO)CCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363123325 893379780 /nfs/dbraw/zinc/37/97/80/893379780.db2.gz HOHOKGDBMKPVRJ-ZDUSSCGKSA-N 1 3 292.383 -0.052 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001365833531 895131615 /nfs/dbraw/zinc/13/16/15/895131615.db2.gz ITPHIHPJOXGWTJ-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365832253 895132001 /nfs/dbraw/zinc/13/20/01/895132001.db2.gz XHQMSXQBVTZUEC-XQQFMLRXSA-N 1 3 296.415 -0.301 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365840650 895132032 /nfs/dbraw/zinc/13/20/32/895132032.db2.gz FFZPKADGAQJQEQ-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366102964 895191036 /nfs/dbraw/zinc/19/10/36/895191036.db2.gz NUPFXKQAWMORLG-RYUDHWBXSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366102964 895191043 /nfs/dbraw/zinc/19/10/43/895191043.db2.gz NUPFXKQAWMORLG-RYUDHWBXSA-N 1 3 282.388 -0.783 20 0 CBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366100436 895191443 /nfs/dbraw/zinc/19/14/43/895191443.db2.gz WPKALZWSCIMBJJ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001366103532 895191719 /nfs/dbraw/zinc/19/17/19/895191719.db2.gz ISGQVJBKYGKZDB-STQMWFEESA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001366103624 895191779 /nfs/dbraw/zinc/19/17/79/895191779.db2.gz SBONFGBMVHZUER-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H]([NH2+][C@H](C)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001366281497 895257991 /nfs/dbraw/zinc/25/79/91/895257991.db2.gz AWLROGLCHABJNL-PWSUYJOCSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366308641 895268484 /nfs/dbraw/zinc/26/84/84/895268484.db2.gz ZXUJEVMBENSAEY-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001366320321 895277884 /nfs/dbraw/zinc/27/78/84/895277884.db2.gz ODLPPXCXBHHJSX-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001366320321 895277894 /nfs/dbraw/zinc/27/78/94/895277894.db2.gz ODLPPXCXBHHJSX-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366396815 895308776 /nfs/dbraw/zinc/30/87/76/895308776.db2.gz XMRCNYCWMRGZQW-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)COC ZINC001366639149 895419237 /nfs/dbraw/zinc/41/92/37/895419237.db2.gz FHJLGKHBMRGIKB-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)COC ZINC001366639149 895419247 /nfs/dbraw/zinc/41/92/47/895419247.db2.gz FHJLGKHBMRGIKB-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366774840 895457253 /nfs/dbraw/zinc/45/72/53/895457253.db2.gz XRTAVNXRMGIRKC-STQMWFEESA-N 1 3 294.399 -0.735 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001366777391 895460663 /nfs/dbraw/zinc/46/06/63/895460663.db2.gz RCXDJUVPKVAJKC-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CCC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001366780755 895461023 /nfs/dbraw/zinc/46/10/23/895461023.db2.gz WULVCHLZXIGEAB-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001366780755 895461028 /nfs/dbraw/zinc/46/10/28/895461028.db2.gz WULVCHLZXIGEAB-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832857 895469723 /nfs/dbraw/zinc/46/97/23/895469723.db2.gz HXJBNWHVAAANJY-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(N)=O ZINC001367115667 895566020 /nfs/dbraw/zinc/56/60/20/895566020.db2.gz PYGLLVYFNHGFPF-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO CC[C@H](CNC(=O)CC[N@H+](C)CC)N[C@H]1CCNC1=O ZINC001367145551 895573471 /nfs/dbraw/zinc/57/34/71/895573471.db2.gz VCAGCCXKEQYYDS-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](CNC(=O)CC[N@@H+](C)CC)N[C@H]1CCNC1=O ZINC001367145551 895573482 /nfs/dbraw/zinc/57/34/82/895573482.db2.gz VCAGCCXKEQYYDS-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](CNC(=O)CC[N@H+](C)CC)N[C@@H]1CCNC1=O ZINC001367145901 895577305 /nfs/dbraw/zinc/57/73/05/895577305.db2.gz VCAGCCXKEQYYDS-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@H](CNC(=O)CC[N@@H+](C)CC)N[C@@H]1CCNC1=O ZINC001367145901 895577316 /nfs/dbraw/zinc/57/73/16/895577316.db2.gz VCAGCCXKEQYYDS-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001367270923 895601088 /nfs/dbraw/zinc/60/10/88/895601088.db2.gz HAQDNGFHKOWWOK-YPMHNXCESA-N 1 3 296.419 -0.003 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367281775 895602285 /nfs/dbraw/zinc/60/22/85/895602285.db2.gz AMQIPHLXOGNACZ-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001367369315 895625830 /nfs/dbraw/zinc/62/58/30/895625830.db2.gz VQEGSYKKBRYYAO-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381684 895629197 /nfs/dbraw/zinc/62/91/97/895629197.db2.gz ZSWXTNITCDOSKR-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367406827 895631600 /nfs/dbraw/zinc/63/16/00/895631600.db2.gz QQLKTVLBASJIMM-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367406827 895631609 /nfs/dbraw/zinc/63/16/09/895631609.db2.gz QQLKTVLBASJIMM-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001367414214 895633265 /nfs/dbraw/zinc/63/32/65/895633265.db2.gz MOZYZGNMZAOEJV-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367678037 895741086 /nfs/dbraw/zinc/74/10/86/895741086.db2.gz XPXGLNOFUWKHIK-NEPJUHHUSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001367686529 895745473 /nfs/dbraw/zinc/74/54/73/895745473.db2.gz GVGXSLHIONZPHK-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001367690672 895749359 /nfs/dbraw/zinc/74/93/59/895749359.db2.gz OARSQYZLSLJALT-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367694655 895751659 /nfs/dbraw/zinc/75/16/59/895751659.db2.gz UXKUOXXLXGAYJW-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001367699078 895755214 /nfs/dbraw/zinc/75/52/14/895755214.db2.gz XTHYKYDYUGOXCW-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001367755311 895790013 /nfs/dbraw/zinc/79/00/13/895790013.db2.gz MPCCKIKIPWPVCK-SDDRHHMPSA-N 1 3 286.420 -0.069 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001367767592 895797903 /nfs/dbraw/zinc/79/79/03/895797903.db2.gz NBFCUQYMMGCGCI-CMPLNLGQSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001367919996 895854639 /nfs/dbraw/zinc/85/46/39/895854639.db2.gz KABHMEWYBGOBKF-TZMCWYRMSA-N 1 3 298.431 -0.197 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001368110689 895914154 /nfs/dbraw/zinc/91/41/54/895914154.db2.gz YLFYIOWORJRSSS-CHWSQXEVSA-N 1 3 296.371 -0.460 20 0 CBADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001368198582 895934146 /nfs/dbraw/zinc/93/41/46/895934146.db2.gz XFTKGUZBTFRDFY-BXUZGUMPSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368202010 895934911 /nfs/dbraw/zinc/93/49/11/895934911.db2.gz YNCWYZRAPFBAJD-QMTHXVAHSA-N 1 3 293.371 -0.346 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368255039 895944282 /nfs/dbraw/zinc/94/42/82/895944282.db2.gz ITPGTEZZLBWBTI-HIFRSBDPSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368255039 895944290 /nfs/dbraw/zinc/94/42/90/895944290.db2.gz ITPGTEZZLBWBTI-HIFRSBDPSA-N 1 3 299.415 -0.594 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001368606131 896044782 /nfs/dbraw/zinc/04/47/82/896044782.db2.gz FRUKKKRCINVGMT-AVGNSLFASA-N 1 3 298.431 -0.055 20 0 CBADHO C[NH+]1CCC(C(=O)NC2(CO)CCN(CCO)CC2)CC1 ZINC001368763021 896075915 /nfs/dbraw/zinc/07/59/15/896075915.db2.gz DECJGZWJGAPIHO-UHFFFAOYSA-N 1 3 299.415 -0.736 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001368825214 896091286 /nfs/dbraw/zinc/09/12/86/896091286.db2.gz KVSIGGJBEHOAAX-HIFPTAJRSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(N)=O ZINC001369253146 896182169 /nfs/dbraw/zinc/18/21/69/896182169.db2.gz SFIUJUISYQLEIW-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001369294958 896190461 /nfs/dbraw/zinc/19/04/61/896190461.db2.gz WCQGSBUULQMFQB-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299848 896190597 /nfs/dbraw/zinc/19/05/97/896190597.db2.gz CGZFTDUUBCHLCR-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001369299848 896190607 /nfs/dbraw/zinc/19/06/07/896190607.db2.gz CGZFTDUUBCHLCR-NWDGAFQWSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001369307557 896195387 /nfs/dbraw/zinc/19/53/87/896195387.db2.gz HTVYYJFRSQLLPU-OLZOCXBDSA-N 1 3 298.431 -0.006 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369309615 896197835 /nfs/dbraw/zinc/19/78/35/896197835.db2.gz VHYMILXPSMRXJW-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369309615 896197846 /nfs/dbraw/zinc/19/78/46/896197846.db2.gz VHYMILXPSMRXJW-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001369386264 896250517 /nfs/dbraw/zinc/25/05/17/896250517.db2.gz SHCAYRATGBYEQR-ZJUUUORDSA-N 1 3 297.321 -0.043 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001369386264 896250531 /nfs/dbraw/zinc/25/05/31/896250531.db2.gz SHCAYRATGBYEQR-ZJUUUORDSA-N 1 3 297.321 -0.043 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369403169 896260260 /nfs/dbraw/zinc/26/02/60/896260260.db2.gz OTRVKBXHHBQGCW-NEPJUHHUSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001369572373 896316703 /nfs/dbraw/zinc/31/67/03/896316703.db2.gz OZNKQTPTQULRJK-BPCQOVAHSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1)N(C)C ZINC001369576834 896322294 /nfs/dbraw/zinc/32/22/94/896322294.db2.gz AQIRPCBDZHNNIO-MCIGGMRASA-N 1 3 284.404 -0.348 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001370636103 896455017 /nfs/dbraw/zinc/45/50/17/896455017.db2.gz JWQRGDSNUCVZDB-TUAOUCFPSA-N 1 3 294.399 -0.404 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC ZINC001371412234 896606387 /nfs/dbraw/zinc/60/63/87/896606387.db2.gz WUWINNXGBSVVKR-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC ZINC001371412234 896606392 /nfs/dbraw/zinc/60/63/92/896606392.db2.gz WUWINNXGBSVVKR-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001371610761 896641151 /nfs/dbraw/zinc/64/11/51/896641151.db2.gz DEROBKBGQCOASI-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001371661507 896647323 /nfs/dbraw/zinc/64/73/23/896647323.db2.gz WONUTKZRMHGEQF-NWDGAFQWSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372267343 896758654 /nfs/dbraw/zinc/75/86/54/896758654.db2.gz NKXBAUPMDSTFQI-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001372301145 896768869 /nfs/dbraw/zinc/76/88/69/896768869.db2.gz IEROHRZJSLPRJF-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001372319397 896772530 /nfs/dbraw/zinc/77/25/30/896772530.db2.gz WHFIMSDQBAMDNS-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372651036 896831031 /nfs/dbraw/zinc/83/10/31/896831031.db2.gz NILDHDWBYXLZDX-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001372940699 896906831 /nfs/dbraw/zinc/90/68/31/896906831.db2.gz ZQRVNZGJLGAANH-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001372948632 896912497 /nfs/dbraw/zinc/91/24/97/896912497.db2.gz PORAWRIAYDNHBG-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(CCN[C@H]1CCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001372985416 896921465 /nfs/dbraw/zinc/92/14/65/896921465.db2.gz BCFBNINJOQYSGO-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001373453987 897019675 /nfs/dbraw/zinc/01/96/75/897019675.db2.gz GHLMQQKNGPVOKB-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001373453987 897019686 /nfs/dbraw/zinc/01/96/86/897019686.db2.gz GHLMQQKNGPVOKB-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373612804 897071430 /nfs/dbraw/zinc/07/14/30/897071430.db2.gz AAJHKJZVKCYBKU-AVGNSLFASA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373612804 897071447 /nfs/dbraw/zinc/07/14/47/897071447.db2.gz AAJHKJZVKCYBKU-AVGNSLFASA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373637211 897086795 /nfs/dbraw/zinc/08/67/95/897086795.db2.gz HTSUSVYHZDRIRR-OLZOCXBDSA-N 1 3 299.415 -0.474 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001373861988 897133495 /nfs/dbraw/zinc/13/34/95/897133495.db2.gz QKOAWKDXLXIXHA-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001373861988 897133502 /nfs/dbraw/zinc/13/35/02/897133502.db2.gz QKOAWKDXLXIXHA-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896742 897134532 /nfs/dbraw/zinc/13/45/32/897134532.db2.gz JOCYMSYIBLYSEV-NHYWBVRUSA-N 1 3 296.415 -0.312 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001373896742 897134549 /nfs/dbraw/zinc/13/45/49/897134549.db2.gz JOCYMSYIBLYSEV-NHYWBVRUSA-N 1 3 296.415 -0.312 20 0 CBADHO CN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373966872 897144944 /nfs/dbraw/zinc/14/49/44/897144944.db2.gz ZZLQKAJHXXGTFM-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN1CCCC1 ZINC001374323388 897212187 /nfs/dbraw/zinc/21/21/87/897212187.db2.gz BOSJHWCVBWLYCM-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001374333757 897217185 /nfs/dbraw/zinc/21/71/85/897217185.db2.gz ZMMUBOXDKHMFQK-NEPJUHHUSA-N 1 3 284.404 -0.348 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C(C)C)N(C)C ZINC001374446216 897228229 /nfs/dbraw/zinc/22/82/29/897228229.db2.gz ZUFCDNLBXWUQAK-RYUDHWBXSA-N 1 3 286.420 -0.197 20 0 CBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001374560707 897258938 /nfs/dbraw/zinc/25/89/38/897258938.db2.gz DYVNUJPAOSHUTL-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374752817 897373547 /nfs/dbraw/zinc/37/35/47/897373547.db2.gz MMLNQTIXYRQEQP-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374752817 897373566 /nfs/dbraw/zinc/37/35/66/897373566.db2.gz MMLNQTIXYRQEQP-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001374752611 897376502 /nfs/dbraw/zinc/37/65/02/897376502.db2.gz TVQSWRVPWZDJIS-UHFFFAOYSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001374772313 897383128 /nfs/dbraw/zinc/38/31/28/897383128.db2.gz QLSADQHGWJLBBB-PWSUYJOCSA-N 1 3 282.388 -0.547 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001374981388 897446034 /nfs/dbraw/zinc/44/60/34/897446034.db2.gz FJZYNCPGEVTHPT-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001375503824 897556567 /nfs/dbraw/zinc/55/65/67/897556567.db2.gz XXJDSVZFNOHGPO-YVECIDJPSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375558692 897565880 /nfs/dbraw/zinc/56/58/80/897565880.db2.gz HGDHAVFDEIGIOA-CYDGBPFRSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001375559450 897566170 /nfs/dbraw/zinc/56/61/70/897566170.db2.gz VUGFYXZALYENKP-HAQNSBGRSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](N(CCO)CCO)C2)C1 ZINC001375624103 897577493 /nfs/dbraw/zinc/57/74/93/897577493.db2.gz XGEQNNYWALHSBG-KGLIPLIRSA-N 1 3 299.415 -0.784 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](N(CCO)CCO)C2)C1 ZINC001375624103 897577500 /nfs/dbraw/zinc/57/75/00/897577500.db2.gz XGEQNNYWALHSBG-KGLIPLIRSA-N 1 3 299.415 -0.784 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001375769278 897607655 /nfs/dbraw/zinc/60/76/55/897607655.db2.gz XPRSKYWHJNPCKI-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001375769278 897607665 /nfs/dbraw/zinc/60/76/65/897607665.db2.gz XPRSKYWHJNPCKI-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1)N(C)C ZINC001376100118 897653268 /nfs/dbraw/zinc/65/32/68/897653268.db2.gz ZSPPETSDOXMCHJ-JSGCOSHPSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1)N(C)C ZINC001376100118 897653274 /nfs/dbraw/zinc/65/32/74/897653274.db2.gz ZSPPETSDOXMCHJ-JSGCOSHPSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001376315297 897710133 /nfs/dbraw/zinc/71/01/33/897710133.db2.gz RCONPDYZIAUKFI-DRZSPHRISA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC[N@H+]1C ZINC001376315297 897710142 /nfs/dbraw/zinc/71/01/42/897710142.db2.gz RCONPDYZIAUKFI-DRZSPHRISA-N 1 3 296.415 -0.314 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376331506 897712202 /nfs/dbraw/zinc/71/22/02/897712202.db2.gz OJWVAXVFYJOHAJ-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001376331506 897712214 /nfs/dbraw/zinc/71/22/14/897712214.db2.gz OJWVAXVFYJOHAJ-RYUDHWBXSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001376397488 897722446 /nfs/dbraw/zinc/72/24/46/897722446.db2.gz DGINCWAWZSBZQK-IJLUTSLNSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001376393134 897723110 /nfs/dbraw/zinc/72/31/10/897723110.db2.gz DSOKNHAILLANRG-BJDJZHNGSA-N 1 3 284.404 -0.302 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001376470838 897750144 /nfs/dbraw/zinc/75/01/44/897750144.db2.gz WGVXBNPPPVDGMG-SCRDCRAPSA-N 1 3 298.431 -0.102 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001376718628 897820086 /nfs/dbraw/zinc/82/00/86/897820086.db2.gz BCOJXCAETKZZRL-JQWIXIFHSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001376735345 897827738 /nfs/dbraw/zinc/82/77/38/897827738.db2.gz CKEGOVSIIYPWMT-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)[C@@H](C(=O)NCC1(NCC(N)=O)CCC1)[NH+](C)C ZINC001376746620 897832951 /nfs/dbraw/zinc/83/29/51/897832951.db2.gz OSLDDJRDANJJIS-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001376803971 897852091 /nfs/dbraw/zinc/85/20/91/897852091.db2.gz SYJKVWLMCYTLTO-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001376804529 897854083 /nfs/dbraw/zinc/85/40/83/897854083.db2.gz CPILZGJOQNKPRZ-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376922612 897890813 /nfs/dbraw/zinc/89/08/13/897890813.db2.gz SQLQEJRFTTZUOP-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376922612 897890820 /nfs/dbraw/zinc/89/08/20/897890820.db2.gz SQLQEJRFTTZUOP-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001377077308 897924863 /nfs/dbraw/zinc/92/48/63/897924863.db2.gz WSKNOUAJHPFUTR-WCQYABFASA-N 1 3 286.420 -0.197 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001377114398 897933160 /nfs/dbraw/zinc/93/31/60/897933160.db2.gz VTTSJCMWXWLERS-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC001377126759 897935133 /nfs/dbraw/zinc/93/51/33/897935133.db2.gz DTGIMTXETGQHOB-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC001377126759 897935139 /nfs/dbraw/zinc/93/51/39/897935139.db2.gz DTGIMTXETGQHOB-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O)N(C)C ZINC001377449951 898051411 /nfs/dbraw/zinc/05/14/11/898051411.db2.gz KXJDKRWBZJIZHN-SDDRHHMPSA-N 1 3 284.404 -0.301 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001377488722 898063556 /nfs/dbraw/zinc/06/35/56/898063556.db2.gz QPBJFGBAJZKPTE-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575748 898091183 /nfs/dbraw/zinc/09/11/83/898091183.db2.gz JWTWEJZFFGBOOV-OLZOCXBDSA-N 1 3 296.415 -0.360 20 0 CBADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001377590108 898097123 /nfs/dbraw/zinc/09/71/23/898097123.db2.gz DHFKXSKZZOXZNM-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001377597087 898103004 /nfs/dbraw/zinc/10/30/04/898103004.db2.gz JGBYHVFAXOYJSW-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001377597087 898103010 /nfs/dbraw/zinc/10/30/10/898103010.db2.gz JGBYHVFAXOYJSW-RYUDHWBXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)N(C)C ZINC001377610894 898105496 /nfs/dbraw/zinc/10/54/96/898105496.db2.gz WIELKAQKSQBCSC-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001377607437 898106913 /nfs/dbraw/zinc/10/69/13/898106913.db2.gz IKAJBXVDCNQXRU-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001377607437 898106919 /nfs/dbraw/zinc/10/69/19/898106919.db2.gz IKAJBXVDCNQXRU-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(N)=O)C1)N(C)C ZINC001377735091 898123786 /nfs/dbraw/zinc/12/37/86/898123786.db2.gz HNZJVTQMIWHCKZ-ILDUYXDCSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(N)=O ZINC001377829660 898142755 /nfs/dbraw/zinc/14/27/55/898142755.db2.gz SAWMIFCUASDLBX-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001378838196 898422986 /nfs/dbraw/zinc/42/29/86/898422986.db2.gz QNMNZJCZUVHYTE-GFCCVEGCSA-N 1 3 284.404 -0.360 20 0 CBADHO CCNC(=O)CN(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378904930 898431163 /nfs/dbraw/zinc/43/11/63/898431163.db2.gz NVXPZUKJUDAKNX-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)CC[N@@H+]1C ZINC001379128741 898470420 /nfs/dbraw/zinc/47/04/20/898470420.db2.gz GUUZAAHYOUYLSQ-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)CC[N@H+]1C ZINC001379128741 898470426 /nfs/dbraw/zinc/47/04/26/898470426.db2.gz GUUZAAHYOUYLSQ-GRYCIOLGSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001379136654 898474701 /nfs/dbraw/zinc/47/47/01/898474701.db2.gz ZQXLGCKMSAOGSV-YNEHKIRRSA-N 1 3 298.431 -0.149 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C ZINC001379136654 898474708 /nfs/dbraw/zinc/47/47/08/898474708.db2.gz ZQXLGCKMSAOGSV-YNEHKIRRSA-N 1 3 298.431 -0.149 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379278533 898536946 /nfs/dbraw/zinc/53/69/46/898536946.db2.gz QCSYEQRSWOZDAH-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379291584 898540482 /nfs/dbraw/zinc/54/04/82/898540482.db2.gz XVHQJYYZAYKDOM-WCQYABFASA-N 1 3 286.420 -0.245 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN1CCCC1 ZINC001379326034 898550441 /nfs/dbraw/zinc/55/04/41/898550441.db2.gz IDTPIKZJCMCKIR-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CN(C)C(C)C ZINC001379327805 898552108 /nfs/dbraw/zinc/55/21/08/898552108.db2.gz LRZHMAWDFBTZLN-LLVKDONJSA-N 1 3 272.393 -0.362 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001379371997 898586818 /nfs/dbraw/zinc/58/68/18/898586818.db2.gz MIRJODGGMWBGGT-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001379371997 898586829 /nfs/dbraw/zinc/58/68/29/898586829.db2.gz MIRJODGGMWBGGT-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001379384924 898591840 /nfs/dbraw/zinc/59/18/40/898591840.db2.gz YJRBRXCLGAINLB-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379421171 898606961 /nfs/dbraw/zinc/60/69/61/898606961.db2.gz SIPYDNAOWNCVGG-PWSUYJOCSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001379446893 898617985 /nfs/dbraw/zinc/61/79/85/898617985.db2.gz PPBDKRZABJPOHG-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001379561701 898669633 /nfs/dbraw/zinc/66/96/33/898669633.db2.gz ZXQZYIRPTRUQQY-DGCLKSJQSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379582951 898672390 /nfs/dbraw/zinc/67/23/90/898672390.db2.gz RDOZKUVWJKGJKG-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379582951 898672405 /nfs/dbraw/zinc/67/24/05/898672405.db2.gz RDOZKUVWJKGJKG-STQMWFEESA-N 1 3 298.431 -0.053 20 0 CBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)CC[NH+](C)C ZINC001379838220 898738573 /nfs/dbraw/zinc/73/85/73/898738573.db2.gz MARAJGDHVAEUEE-CYBMUJFWSA-N 1 3 297.403 -0.719 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001380087508 898803605 /nfs/dbraw/zinc/80/36/05/898803605.db2.gz CYNZJEWZJFGPAU-VXGBXAGGSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001380087508 898803623 /nfs/dbraw/zinc/80/36/23/898803623.db2.gz CYNZJEWZJFGPAU-VXGBXAGGSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001380287527 898850042 /nfs/dbraw/zinc/85/00/42/898850042.db2.gz AMDKIDZUQOYORF-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001380919234 898970640 /nfs/dbraw/zinc/97/06/40/898970640.db2.gz SOFQNZHOWOPXGP-YPMHNXCESA-N 1 3 296.371 -0.196 20 0 CBADHO CNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381102912 898999968 /nfs/dbraw/zinc/99/99/68/898999968.db2.gz LLWWUPAGMRGQAJ-NWDGAFQWSA-N 1 3 296.415 -0.489 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277477 899020508 /nfs/dbraw/zinc/02/05/08/899020508.db2.gz CSSICOTXQZSMNH-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381277477 899020524 /nfs/dbraw/zinc/02/05/24/899020524.db2.gz CSSICOTXQZSMNH-RYUDHWBXSA-N 1 3 282.388 -0.606 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001381425244 899045725 /nfs/dbraw/zinc/04/57/25/899045725.db2.gz YMFNUUBHJWMUKB-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001381975894 899140183 /nfs/dbraw/zinc/14/01/83/899140183.db2.gz ZYQMWZFISGIXBA-LPWJVIDDSA-N 1 3 298.431 -0.069 20 0 CBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCC1 ZINC001382051029 899147153 /nfs/dbraw/zinc/14/71/53/899147153.db2.gz NQYXRBULVJWLNF-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC)CC[N@@H+]1C ZINC001382063969 899149105 /nfs/dbraw/zinc/14/91/05/899149105.db2.gz CRZSPZAAAOXOFJ-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC)CC[N@H+]1C ZINC001382063969 899149110 /nfs/dbraw/zinc/14/91/10/899149110.db2.gz CRZSPZAAAOXOFJ-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110883 899157833 /nfs/dbraw/zinc/15/78/33/899157833.db2.gz GQDXABZKOOGVNY-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001455289656 914327073 /nfs/dbraw/zinc/32/70/73/914327073.db2.gz YSRVKRSAWYULKK-UHFFFAOYSA-N 1 3 286.420 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001385165232 899551078 /nfs/dbraw/zinc/55/10/78/899551078.db2.gz IQCGVYSTOBUFAM-CYBMUJFWSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001388697975 899902282 /nfs/dbraw/zinc/90/22/82/899902282.db2.gz KTVQUFVPKNRBDV-TUAOUCFPSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001389442215 900015675 /nfs/dbraw/zinc/01/56/75/900015675.db2.gz ZDRIHBNRZPPGLR-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001389442215 900015688 /nfs/dbraw/zinc/01/56/88/900015688.db2.gz ZDRIHBNRZPPGLR-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389598862 900046390 /nfs/dbraw/zinc/04/63/90/900046390.db2.gz AHMDPEXTJFZUDF-JLLWLGSASA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC[N@H+]1C ZINC001389598862 900046397 /nfs/dbraw/zinc/04/63/97/900046397.db2.gz AHMDPEXTJFZUDF-JLLWLGSASA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001389609921 900049044 /nfs/dbraw/zinc/04/90/44/900049044.db2.gz QPEFJANVTASXNH-GWCFXTLKSA-N 1 3 296.415 -0.171 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389618544 900050695 /nfs/dbraw/zinc/05/06/95/900050695.db2.gz WFOYEZAFXXFESZ-YNEHKIRRSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC[N@H+]1C ZINC001389618544 900050705 /nfs/dbraw/zinc/05/07/05/900050705.db2.gz WFOYEZAFXXFESZ-YNEHKIRRSA-N 1 3 296.415 -0.314 20 0 CBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001389693851 900057940 /nfs/dbraw/zinc/05/79/40/900057940.db2.gz QWLNADARUQPQKV-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001389728660 900063229 /nfs/dbraw/zinc/06/32/29/900063229.db2.gz ZKUZYKWVQIDTDX-LBPRGKRZSA-N 1 3 293.371 -0.379 20 0 CBADHO CC[C@@H](C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001389833127 900081270 /nfs/dbraw/zinc/08/12/70/900081270.db2.gz FRHIEXXPFSJNGO-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001389832897 900081406 /nfs/dbraw/zinc/08/14/06/900081406.db2.gz FRHIEXXPFSJNGO-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001389863988 900085612 /nfs/dbraw/zinc/08/56/12/900085612.db2.gz VBPHNNUVIIUWHG-GVXVVHGQSA-N 1 3 294.399 -0.404 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001389997938 900103563 /nfs/dbraw/zinc/10/35/63/900103563.db2.gz ISGHPUONYKMUOD-RWMBFGLXSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390421394 900156227 /nfs/dbraw/zinc/15/62/27/900156227.db2.gz XNTYITACLVMPFB-NWDGAFQWSA-N 1 3 299.419 -0.554 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390433876 900158206 /nfs/dbraw/zinc/15/82/06/900158206.db2.gz OAHMYPLCVREMCF-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390433876 900158211 /nfs/dbraw/zinc/15/82/11/900158211.db2.gz OAHMYPLCVREMCF-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NC)C1 ZINC001390458523 900167679 /nfs/dbraw/zinc/16/76/79/900167679.db2.gz NJCXEPDOCGYDBS-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NC)C1 ZINC001390458523 900167694 /nfs/dbraw/zinc/16/76/94/900167694.db2.gz NJCXEPDOCGYDBS-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001390538773 900183960 /nfs/dbraw/zinc/18/39/60/900183960.db2.gz PAFSCUSQJVVIAL-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390592127 900194519 /nfs/dbraw/zinc/19/45/19/900194519.db2.gz AXVLUXQSWDEZCL-LLVKDONJSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1cnnn1C ZINC001390647562 900203815 /nfs/dbraw/zinc/20/38/15/900203815.db2.gz QDIKXOFROYSHCV-YPMHNXCESA-N 1 3 294.403 -0.106 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001391206529 900334713 /nfs/dbraw/zinc/33/47/13/900334713.db2.gz INKDCPUXMHRSNQ-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001391201062 900335931 /nfs/dbraw/zinc/33/59/31/900335931.db2.gz LCCFSDWHMVVIJG-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001391201062 900335943 /nfs/dbraw/zinc/33/59/43/900335943.db2.gz LCCFSDWHMVVIJG-YNEHKIRRSA-N 1 3 296.415 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001391210569 900338054 /nfs/dbraw/zinc/33/80/54/900338054.db2.gz FJFKQHZYHINIJT-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001391222188 900343546 /nfs/dbraw/zinc/34/35/46/900343546.db2.gz FDGJUTKEYYCPAA-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+](C)C ZINC001391230225 900347443 /nfs/dbraw/zinc/34/74/43/900347443.db2.gz UDPGGKPSBYFIRI-STQMWFEESA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001391230214 900347535 /nfs/dbraw/zinc/34/75/35/900347535.db2.gz UDPGGKPSBYFIRI-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001391696142 900435521 /nfs/dbraw/zinc/43/55/21/900435521.db2.gz OSJJPOUEVUSVCB-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCNC1=O ZINC001391927267 900463812 /nfs/dbraw/zinc/46/38/12/900463812.db2.gz VRMLLRIGGQCOGG-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N(C)C ZINC001391909659 900464507 /nfs/dbraw/zinc/46/45/07/900464507.db2.gz BISKUKGSWDNTGJ-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC ZINC001392116230 900517517 /nfs/dbraw/zinc/51/75/17/900517517.db2.gz JJEKATSUPVNPGV-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC ZINC001392116230 900517522 /nfs/dbraw/zinc/51/75/22/900517522.db2.gz JJEKATSUPVNPGV-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001392127425 900520338 /nfs/dbraw/zinc/52/03/38/900520338.db2.gz VWPNKKGDMLRZQA-WDEREUQCSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392127419 900520518 /nfs/dbraw/zinc/52/05/18/900520518.db2.gz VWPNKKGDMLRZQA-GHMZBOCLSA-N 1 3 284.404 -0.362 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001456298679 914458328 /nfs/dbraw/zinc/45/83/28/914458328.db2.gz OXNQEKWVKTWJDE-WDEREUQCSA-N 1 3 253.346 -0.473 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001456298679 914458334 /nfs/dbraw/zinc/45/83/34/914458334.db2.gz OXNQEKWVKTWJDE-WDEREUQCSA-N 1 3 253.346 -0.473 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001392357291 900582005 /nfs/dbraw/zinc/58/20/05/900582005.db2.gz UNWTYFHRQNYWPA-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001392450110 900619593 /nfs/dbraw/zinc/61/95/93/900619593.db2.gz VKANGTCKJRCKIM-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392506056 900640240 /nfs/dbraw/zinc/64/02/40/900640240.db2.gz SHUCXVDYJVMQCD-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392512708 900643839 /nfs/dbraw/zinc/64/38/39/900643839.db2.gz OYKDLALXWKSBBV-DGCLKSJQSA-N 1 3 296.415 -0.299 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392525153 900649273 /nfs/dbraw/zinc/64/92/73/900649273.db2.gz MPKLJDOTFSOAAS-DGCLKSJQSA-N 1 3 286.420 -0.197 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392593717 900669723 /nfs/dbraw/zinc/66/97/23/900669723.db2.gz YVHFVVOHDXUAAQ-JTQLQIEISA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001392595801 900670186 /nfs/dbraw/zinc/67/01/86/900670186.db2.gz AVGCNYGRHIGHKX-NSHDSACASA-N 1 3 292.383 -0.059 20 0 CBADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001392598702 900670247 /nfs/dbraw/zinc/67/02/47/900670247.db2.gz XWAAEVPJCAMZKB-DCAQKATOSA-N 1 3 272.393 -0.315 20 0 CBADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001392760983 900717958 /nfs/dbraw/zinc/71/79/58/900717958.db2.gz ALDDAWDATIBAAU-GXFFZTMASA-N 1 3 296.415 -0.171 20 0 CBADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392814333 900731619 /nfs/dbraw/zinc/73/16/19/900731619.db2.gz UOCDXZUUDIJODD-QWHCGFSZSA-N 1 3 296.415 -0.489 20 0 CBADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392814333 900731621 /nfs/dbraw/zinc/73/16/21/900731621.db2.gz UOCDXZUUDIJODD-QWHCGFSZSA-N 1 3 296.415 -0.489 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(N)=O)CC1 ZINC001392905943 900758955 /nfs/dbraw/zinc/75/89/55/900758955.db2.gz GQYDVERDGZXQGW-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(N)=O)CC1 ZINC001392905943 900758964 /nfs/dbraw/zinc/75/89/64/900758964.db2.gz GQYDVERDGZXQGW-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH+](C)CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001392931267 900762346 /nfs/dbraw/zinc/76/23/46/900762346.db2.gz YJGOVTIHPMVRTP-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393039528 900784115 /nfs/dbraw/zinc/78/41/15/900784115.db2.gz CJSFAIOMULZXFC-QWHCGFSZSA-N 1 3 294.399 -0.606 20 0 CBADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393058405 900786933 /nfs/dbraw/zinc/78/69/33/900786933.db2.gz YMGWTAOSUHNYBL-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393058405 900786939 /nfs/dbraw/zinc/78/69/39/900786939.db2.gz YMGWTAOSUHNYBL-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001393165279 900800281 /nfs/dbraw/zinc/80/02/81/900800281.db2.gz PODCRVLOTVXHJJ-WFASDCNBSA-N 1 3 296.415 -0.358 20 0 CBADHO CNC(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001393544289 900871526 /nfs/dbraw/zinc/87/15/26/900871526.db2.gz KYJBYJKFZVASBZ-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(N)=O)C1 ZINC001393740682 900899102 /nfs/dbraw/zinc/89/91/02/900899102.db2.gz JACDGAHYYFMBRH-MNOVXSKESA-N 1 3 270.377 -0.752 20 0 CBADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(N)=O ZINC001393746411 900902238 /nfs/dbraw/zinc/90/22/38/900902238.db2.gz JAVYYHOHKKAMKN-QWRGUYRKSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394441086 901026375 /nfs/dbraw/zinc/02/63/75/901026375.db2.gz VMLXLHVZBCUXLN-LBPRGKRZSA-N 1 3 296.415 -0.360 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001394536830 901046795 /nfs/dbraw/zinc/04/67/95/901046795.db2.gz FMPJNOFHUAXSMU-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001394536830 901046804 /nfs/dbraw/zinc/04/68/04/901046804.db2.gz FMPJNOFHUAXSMU-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(N)=O ZINC001394533392 901047779 /nfs/dbraw/zinc/04/77/79/901047779.db2.gz HFPGWIWDHTUOMS-LLVKDONJSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCCC1 ZINC001394667291 901117293 /nfs/dbraw/zinc/11/72/93/901117293.db2.gz IJYAOPUIXCLPMF-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)N(C)C ZINC001394780013 901154752 /nfs/dbraw/zinc/15/47/52/901154752.db2.gz CPSBWTPTLGNJIW-RYUDHWBXSA-N 1 3 275.393 -0.930 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)N(C)C ZINC001394780013 901154759 /nfs/dbraw/zinc/15/47/59/901154759.db2.gz CPSBWTPTLGNJIW-RYUDHWBXSA-N 1 3 275.393 -0.930 20 0 CBADHO CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394761264 901142549 /nfs/dbraw/zinc/14/25/49/901142549.db2.gz ZFXFSSUJVHXXQE-JQWIXIFHSA-N 1 3 284.360 -0.604 20 0 CBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CCN1CCO ZINC001397024223 901357219 /nfs/dbraw/zinc/35/72/19/901357219.db2.gz BWGZQGOJQBSCID-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001397024223 901357227 /nfs/dbraw/zinc/35/72/27/901357227.db2.gz BWGZQGOJQBSCID-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001397024223 901357236 /nfs/dbraw/zinc/35/72/36/901357236.db2.gz BWGZQGOJQBSCID-KBPBESRZSA-N 1 3 299.415 -0.520 20 0 CBADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001397739594 901451401 /nfs/dbraw/zinc/45/14/01/901451401.db2.gz ZIGUPAKCMMYIAK-RWMBFGLXSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001397928730 901480548 /nfs/dbraw/zinc/48/05/48/901480548.db2.gz NQMRPLZMWKAYCY-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397928730 901480556 /nfs/dbraw/zinc/48/05/56/901480556.db2.gz NQMRPLZMWKAYCY-CYBMUJFWSA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CCNC(=O)CCC[NH+](C)C)C(=O)CN1CCCC1 ZINC001398023689 901492033 /nfs/dbraw/zinc/49/20/33/901492033.db2.gz WXJWAFVKLYCVPE-UHFFFAOYSA-N 1 3 298.431 -0.001 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001398432103 901538393 /nfs/dbraw/zinc/53/83/93/901538393.db2.gz FJQBTOKTWRCMOM-NWDGAFQWSA-N 1 3 282.388 -0.689 20 0 CBADHO C[NH+]1CCC(C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1 ZINC001398437361 901538447 /nfs/dbraw/zinc/53/84/47/901538447.db2.gz YKTZKAUDBLJKJG-LBPRGKRZSA-N 1 3 282.388 -0.702 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398613995 901576832 /nfs/dbraw/zinc/57/68/32/901576832.db2.gz AUEIXGUJUVAXQU-SDDRHHMPSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001398961988 901641533 /nfs/dbraw/zinc/64/15/33/901641533.db2.gz BQGOIWYQEGXXDQ-NWDGAFQWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001399121510 901669862 /nfs/dbraw/zinc/66/98/62/901669862.db2.gz ZQOMBWHTSUMQDH-GFCCVEGCSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001399255791 901688166 /nfs/dbraw/zinc/68/81/66/901688166.db2.gz XTTGYWRZWKAKLT-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001400040237 901858119 /nfs/dbraw/zinc/85/81/19/901858119.db2.gz MOJINOFWSNYIBP-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064819 901869318 /nfs/dbraw/zinc/86/93/18/901869318.db2.gz DOGSFOOXEBRMQP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001400064819 901869330 /nfs/dbraw/zinc/86/93/30/901869330.db2.gz DOGSFOOXEBRMQP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001400065921 901870058 /nfs/dbraw/zinc/87/00/58/901870058.db2.gz FQDNSXXVFQPWGF-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001400063051 901870171 /nfs/dbraw/zinc/87/01/71/901870171.db2.gz YEXFPYOLYJOFAM-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001400172224 901889137 /nfs/dbraw/zinc/88/91/37/901889137.db2.gz IKPWMFDSTAEWRB-ZDUSSCGKSA-N 1 3 298.431 -0.146 20 0 CBADHO C[C@@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401009179 902041173 /nfs/dbraw/zinc/04/11/73/902041173.db2.gz MICPTJJRPWVNFQ-ABAIWWIYSA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401117082 902057480 /nfs/dbraw/zinc/05/74/80/902057480.db2.gz OOBOGFRENFUNTA-YPMHNXCESA-N 1 3 286.420 -0.340 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001401117839 902057607 /nfs/dbraw/zinc/05/76/07/902057607.db2.gz WZTWQVLBPFSMLN-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401266419 902094858 /nfs/dbraw/zinc/09/48/58/902094858.db2.gz LZKBVOLKKZSXLB-LBPRGKRZSA-N 1 3 286.420 -0.149 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001401262285 902095586 /nfs/dbraw/zinc/09/55/86/902095586.db2.gz PSEDPLLPQIBUQJ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001401262285 902095591 /nfs/dbraw/zinc/09/55/91/902095591.db2.gz PSEDPLLPQIBUQJ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO Cc1ncccc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001401548021 902163715 /nfs/dbraw/zinc/16/37/15/902163715.db2.gz CWRGTZRIKRTQCU-AWEZNQCLSA-N 1 3 294.399 -0.092 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001401604502 902186078 /nfs/dbraw/zinc/18/60/78/902186078.db2.gz VLSKNUFIZSQNDT-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401686623 902230405 /nfs/dbraw/zinc/23/04/05/902230405.db2.gz VDRLNZPDCOEMID-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401686623 902230415 /nfs/dbraw/zinc/23/04/15/902230415.db2.gz VDRLNZPDCOEMID-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401705339 902239409 /nfs/dbraw/zinc/23/94/09/902239409.db2.gz UOZSKJTYTAVAEX-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001401706545 902240406 /nfs/dbraw/zinc/24/04/06/902240406.db2.gz UEYCQKKRAFYHFJ-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001401847165 902290278 /nfs/dbraw/zinc/29/02/78/902290278.db2.gz VPEPHDFKTMPEQW-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001401847165 902290294 /nfs/dbraw/zinc/29/02/94/902290294.db2.gz VPEPHDFKTMPEQW-OLZOCXBDSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001401866505 902291616 /nfs/dbraw/zinc/29/16/16/902291616.db2.gz JMIPYFAUEVBCFP-LBPRGKRZSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401877469 902298201 /nfs/dbraw/zinc/29/82/01/902298201.db2.gz SFZNQVQHSOFYTH-JQWIXIFHSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402078523 902353573 /nfs/dbraw/zinc/35/35/73/902353573.db2.gz MWWPBRMMQAPNOO-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001402370066 902438704 /nfs/dbraw/zinc/43/87/04/902438704.db2.gz XNMJTKVCMZVPRB-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001402370066 902438709 /nfs/dbraw/zinc/43/87/09/902438709.db2.gz XNMJTKVCMZVPRB-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001402370068 902440611 /nfs/dbraw/zinc/44/06/11/902440611.db2.gz XNMJTKVCMZVPRB-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001402370068 902440619 /nfs/dbraw/zinc/44/06/19/902440619.db2.gz XNMJTKVCMZVPRB-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001402453637 902456313 /nfs/dbraw/zinc/45/63/13/902456313.db2.gz WRCSFPHQAGPACT-AVGNSLFASA-N 1 3 298.431 -0.006 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001402533983 902472155 /nfs/dbraw/zinc/47/21/55/902472155.db2.gz IUWPDNNZDAOQGM-LPWJVIDDSA-N 1 3 296.415 -0.158 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001402546745 902475267 /nfs/dbraw/zinc/47/52/67/902475267.db2.gz FCFXZLKDNPYHTR-JHJVBQTASA-N 1 3 287.404 -0.429 20 0 CBADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)NC2CC2)CCC1 ZINC001402570434 902480962 /nfs/dbraw/zinc/48/09/62/902480962.db2.gz FIXOPMBVMVUKDE-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1)N(C)C ZINC001402635153 902494249 /nfs/dbraw/zinc/49/42/49/902494249.db2.gz UCXUJWTZTUTZPV-WHOHXGKFSA-N 1 3 284.404 -0.173 20 0 CBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001402861501 902542146 /nfs/dbraw/zinc/54/21/46/902542146.db2.gz LXXUVKMSIODBSG-WDEREUQCSA-N 1 3 272.393 -0.315 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402888796 902553555 /nfs/dbraw/zinc/55/35/55/902553555.db2.gz OUQPJZISVWWMGK-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402888796 902553560 /nfs/dbraw/zinc/55/35/60/902553560.db2.gz OUQPJZISVWWMGK-VXGBXAGGSA-N 1 3 284.404 -0.301 20 0 CBADHO CN(CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001402928899 902565013 /nfs/dbraw/zinc/56/50/13/902565013.db2.gz VQXMRZJFEQYZGP-UHFFFAOYSA-N 1 3 282.388 -0.560 20 0 CBADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001402953241 902573324 /nfs/dbraw/zinc/57/33/24/902573324.db2.gz SWDMMCPYDYCCRD-WXRRBKDZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001403032718 902598465 /nfs/dbraw/zinc/59/84/65/902598465.db2.gz JHGRJCFVOFIEMD-RYUDHWBXSA-N 1 3 286.420 -0.055 20 0 CBADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001403056272 902602684 /nfs/dbraw/zinc/60/26/84/902602684.db2.gz WSOGVACXIRVZCS-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001403075468 902609718 /nfs/dbraw/zinc/60/97/18/902609718.db2.gz KPAQRVQETLENFL-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001403075468 902609725 /nfs/dbraw/zinc/60/97/25/902609725.db2.gz KPAQRVQETLENFL-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H](C)C(N)=O ZINC001403154050 902631547 /nfs/dbraw/zinc/63/15/47/902631547.db2.gz AZLBQFUAZBXKGA-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H](C)C(N)=O ZINC001403154057 902632802 /nfs/dbraw/zinc/63/28/02/902632802.db2.gz AZLBQFUAZBXKGA-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001403215714 902651036 /nfs/dbraw/zinc/65/10/36/902651036.db2.gz YKUSKMWBOYDLBN-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001403279475 902662961 /nfs/dbraw/zinc/66/29/61/902662961.db2.gz COLPQBXRJVMVMI-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001403404560 902683839 /nfs/dbraw/zinc/68/38/39/902683839.db2.gz FKOFIUSRGWJTCS-YNEHKIRRSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001403413955 902684458 /nfs/dbraw/zinc/68/44/58/902684458.db2.gz JQHJIIQKUGRCFL-CMPLNLGQSA-N 1 3 282.344 -0.850 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001403442952 902693082 /nfs/dbraw/zinc/69/30/82/902693082.db2.gz SWDMMCPYDYCCRD-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001458410841 914649751 /nfs/dbraw/zinc/64/97/51/914649751.db2.gz GZELUMCKVNDZHJ-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001458410841 914649758 /nfs/dbraw/zinc/64/97/58/914649758.db2.gz GZELUMCKVNDZHJ-AVGNSLFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001403543663 902726118 /nfs/dbraw/zinc/72/61/18/902726118.db2.gz YUFFWPCWEDWEPB-NWDGAFQWSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[C@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001403593144 902745080 /nfs/dbraw/zinc/74/50/80/902745080.db2.gz DGACPEILLHNRPX-QWRGUYRKSA-N 1 3 272.393 -0.362 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403736431 902828355 /nfs/dbraw/zinc/82/83/55/902828355.db2.gz PZNDJDLPPTYHFF-LBPRGKRZSA-N 1 3 285.388 -0.863 20 0 CBADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001404012301 902926389 /nfs/dbraw/zinc/92/63/89/902926389.db2.gz CGQUTHLLWGHMOJ-KGPNIALWSA-N 1 3 296.371 -0.462 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001458793515 914678770 /nfs/dbraw/zinc/67/87/70/914678770.db2.gz DZXQXKRGXKNJMB-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001404329831 902973116 /nfs/dbraw/zinc/97/31/16/902973116.db2.gz RPXMVMOBFHUYTB-NSHDSACASA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001404519085 902995701 /nfs/dbraw/zinc/99/57/01/902995701.db2.gz PBPUVLVIPZYJBT-CHWSQXEVSA-N 1 3 296.415 -0.358 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001404519085 902995709 /nfs/dbraw/zinc/99/57/09/902995709.db2.gz PBPUVLVIPZYJBT-CHWSQXEVSA-N 1 3 296.415 -0.358 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC ZINC001405287909 903137772 /nfs/dbraw/zinc/13/77/72/903137772.db2.gz JMPZJICIZBFZME-YPMHNXCESA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001405723863 903210025 /nfs/dbraw/zinc/21/00/25/903210025.db2.gz VRTZPTROMLCGPV-NEPJUHHUSA-N 1 3 286.420 -0.197 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001405824516 903230492 /nfs/dbraw/zinc/23/04/92/903230492.db2.gz ZCXWPQUDUVZKCG-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001405824516 903230505 /nfs/dbraw/zinc/23/05/05/903230505.db2.gz ZCXWPQUDUVZKCG-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(N)=O ZINC001406046719 903259803 /nfs/dbraw/zinc/25/98/03/903259803.db2.gz UCMCBCPFFGYMAB-YPMHNXCESA-N 1 3 286.420 -0.212 20 0 CBADHO Cc1cc(CNC[C@@H](O)CNC(=O)C[NH+]2CCCC2)on1 ZINC001406291424 903342116 /nfs/dbraw/zinc/34/21/16/903342116.db2.gz OAYVDZHEKNUTJR-GFCCVEGCSA-N 1 3 296.371 -0.354 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001406336021 903364016 /nfs/dbraw/zinc/36/40/16/903364016.db2.gz WPZDSXJQHFCAFA-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406359248 903373470 /nfs/dbraw/zinc/37/34/70/903373470.db2.gz BVLFLALHCKFEOA-DGCLKSJQSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](CNCC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001406433744 903398671 /nfs/dbraw/zinc/39/86/71/903398671.db2.gz OLQBABMVGLMRFW-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001406426114 903401083 /nfs/dbraw/zinc/40/10/83/903401083.db2.gz ANWHBCJQOIJUSF-LLVKDONJSA-N 1 3 292.383 -0.059 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001406548693 903429614 /nfs/dbraw/zinc/42/96/14/903429614.db2.gz QNRYOVHTRZMCBO-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001406548693 903429623 /nfs/dbraw/zinc/42/96/23/903429623.db2.gz QNRYOVHTRZMCBO-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCC(N)=O)CC1 ZINC001406543160 903429910 /nfs/dbraw/zinc/42/99/10/903429910.db2.gz IKMAUHRUQFZFJZ-NSHDSACASA-N 1 3 284.404 -0.314 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001406548695 903430818 /nfs/dbraw/zinc/43/08/18/903430818.db2.gz QNRYOVHTRZMCBO-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001406548695 903430825 /nfs/dbraw/zinc/43/08/25/903430825.db2.gz QNRYOVHTRZMCBO-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001407117000 903546160 /nfs/dbraw/zinc/54/61/60/903546160.db2.gz VLKUNKAIXSWQPO-ZDUSSCGKSA-N 1 3 296.415 -0.072 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407535113 903623938 /nfs/dbraw/zinc/62/39/38/903623938.db2.gz JSURKWIBKBAJOK-VHSXEESVSA-N 1 3 279.344 -0.736 20 0 CBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407535118 903625226 /nfs/dbraw/zinc/62/52/26/903625226.db2.gz JSURKWIBKBAJOK-ZJUUUORDSA-N 1 3 279.344 -0.736 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001407537643 903626042 /nfs/dbraw/zinc/62/60/42/903626042.db2.gz HLXGWOSFHYKTNG-NEPJUHHUSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CCC1 ZINC001408037613 903694653 /nfs/dbraw/zinc/69/46/53/903694653.db2.gz NJUSFRZKIOMVGC-AWEZNQCLSA-N 1 3 299.415 -0.594 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001408183724 903728454 /nfs/dbraw/zinc/72/84/54/903728454.db2.gz FNPYJYZCQDBTFA-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001408212248 903731004 /nfs/dbraw/zinc/73/10/04/903731004.db2.gz PQSHEYBIHCZOQR-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](O)CN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001408283969 903745310 /nfs/dbraw/zinc/74/53/10/903745310.db2.gz ZVQRVCSNJVGYQX-LBPRGKRZSA-N 1 3 287.404 -0.738 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001408303501 903749748 /nfs/dbraw/zinc/74/97/48/903749748.db2.gz RYBWAOTUJDGOCL-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001409425852 903904523 /nfs/dbraw/zinc/90/45/23/903904523.db2.gz LDASQBUQFKGEOC-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001409425852 903904533 /nfs/dbraw/zinc/90/45/33/903904533.db2.gz LDASQBUQFKGEOC-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCC[C@@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001409851490 903975746 /nfs/dbraw/zinc/97/57/46/903975746.db2.gz TXJFNDDRSBDZJL-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001410233709 904048415 /nfs/dbraw/zinc/04/84/15/904048415.db2.gz YBCFVFRUDQDXTN-JHJVBQTASA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001410335354 904072356 /nfs/dbraw/zinc/07/23/56/904072356.db2.gz UZMLGVHZAXMMAN-GXTWGEPZSA-N 1 3 298.431 -0.116 20 0 CBADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(N)=O ZINC001410412330 904094583 /nfs/dbraw/zinc/09/45/83/904094583.db2.gz FWSHLVAEAJZIBE-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001410445569 904103220 /nfs/dbraw/zinc/10/32/20/904103220.db2.gz WIZOCTXKCQFKQD-VXGBXAGGSA-N 1 3 284.404 -0.395 20 0 CBADHO CN(C)Cc1cccc(C(=O)NC[C@@H](CO)[NH2+]CCO)c1 ZINC001410789821 904186501 /nfs/dbraw/zinc/18/65/01/904186501.db2.gz PSWGZCNRIJZICJ-AWEZNQCLSA-N 1 3 295.383 -0.579 20 0 CBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867337 904199435 /nfs/dbraw/zinc/19/94/35/904199435.db2.gz PTEUTXWJFQHRBZ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001412835588 904747698 /nfs/dbraw/zinc/74/76/98/904747698.db2.gz FLVABWHUHQMBTM-HIFRSBDPSA-N 1 3 298.431 -0.805 20 0 CBADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(N)=O ZINC001507442950 921822576 /nfs/dbraw/zinc/82/25/76/921822576.db2.gz KXAIXGHEKMSDJA-WDEREUQCSA-N 1 3 284.404 -0.362 20 0 CBADHO CN(CCN(C)C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001416682017 905755904 /nfs/dbraw/zinc/75/59/04/905755904.db2.gz QTWWVBCMOYYLTN-UHFFFAOYSA-N 1 3 295.387 -0.179 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001416815448 905809597 /nfs/dbraw/zinc/80/95/97/905809597.db2.gz GZELUMCKVNDZHJ-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001416815448 905809606 /nfs/dbraw/zinc/80/96/06/905809606.db2.gz GZELUMCKVNDZHJ-AGIUHOORSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001417042451 905855459 /nfs/dbraw/zinc/85/54/59/905855459.db2.gz HABLLZHWPUQWSD-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001418007899 906135015 /nfs/dbraw/zinc/13/50/15/906135015.db2.gz BXGZWFFUCJGOAQ-PWSUYJOCSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001418007899 906135020 /nfs/dbraw/zinc/13/50/20/906135020.db2.gz BXGZWFFUCJGOAQ-PWSUYJOCSA-N 1 3 282.388 -0.702 20 0 CBADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418043137 906145126 /nfs/dbraw/zinc/14/51/26/906145126.db2.gz DPHIJNTWJURYSX-NWDGAFQWSA-N 1 3 282.388 -0.641 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001418064256 906153702 /nfs/dbraw/zinc/15/37/02/906153702.db2.gz MZTYDNYSECYPKG-GVXVVHGQSA-N 1 3 294.403 -0.108 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001418065234 906154312 /nfs/dbraw/zinc/15/43/12/906154312.db2.gz UCXUJWTZTUTZPV-BJDJZHNGSA-N 1 3 284.404 -0.173 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001418112066 906172282 /nfs/dbraw/zinc/17/22/82/906172282.db2.gz ZECGBALSDYCXOC-XQQFMLRXSA-N 1 3 294.403 -0.145 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001418226563 906225392 /nfs/dbraw/zinc/22/53/92/906225392.db2.gz LLTSGXACXNSSHN-DGCLKSJQSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001418232307 906227654 /nfs/dbraw/zinc/22/76/54/906227654.db2.gz CVUJDOVDCVLOSZ-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001418240225 906231950 /nfs/dbraw/zinc/23/19/50/906231950.db2.gz YFCGFBVMKFCJHI-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001418237562 906232115 /nfs/dbraw/zinc/23/21/15/906232115.db2.gz JCDAALZEIUWYKE-AAEUAGOBSA-N 1 3 286.420 -0.245 20 0 CBADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(N)=O ZINC001418244495 906240265 /nfs/dbraw/zinc/24/02/65/906240265.db2.gz YQAMERCNXZWLNO-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(N)=O ZINC001418244495 906240280 /nfs/dbraw/zinc/24/02/80/906240280.db2.gz YQAMERCNXZWLNO-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001418264845 906248267 /nfs/dbraw/zinc/24/82/67/906248267.db2.gz DGOZHFBVYZALOV-PWSUYJOCSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001418264640 906248589 /nfs/dbraw/zinc/24/85/89/906248589.db2.gz CVFAPYPFZAKBMH-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269910 906249818 /nfs/dbraw/zinc/24/98/18/906249818.db2.gz SWEIDAPROGBMNB-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H](C)C(=O)N(C)C ZINC001418267862 906250611 /nfs/dbraw/zinc/25/06/11/906250611.db2.gz SXKJEXFBGRMDBJ-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001418298253 906270099 /nfs/dbraw/zinc/27/00/99/906270099.db2.gz GAIMJNVIXFKMSQ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001418314123 906278555 /nfs/dbraw/zinc/27/85/55/906278555.db2.gz RGYDKIOAFOJCOK-GHMZBOCLSA-N 1 3 272.393 -0.445 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001418314797 906280329 /nfs/dbraw/zinc/28/03/29/906280329.db2.gz VDMPQICHMWMQHA-LBPRGKRZSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(N)=O ZINC001418315307 906280710 /nfs/dbraw/zinc/28/07/10/906280710.db2.gz WXPIYOJWDKFGSN-LLVKDONJSA-N 1 3 270.377 -0.558 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418331042 906284461 /nfs/dbraw/zinc/28/44/61/906284461.db2.gz GJNBCVWAMXNSHH-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418347030 906292850 /nfs/dbraw/zinc/29/28/50/906292850.db2.gz CDIUIRHJVUYMLF-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001418519322 906384898 /nfs/dbraw/zinc/38/48/98/906384898.db2.gz JPTKIAJROYUMBT-ZDUSSCGKSA-N 1 3 293.415 -0.038 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001418519322 906384913 /nfs/dbraw/zinc/38/49/13/906384913.db2.gz JPTKIAJROYUMBT-ZDUSSCGKSA-N 1 3 293.415 -0.038 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001418832154 906489443 /nfs/dbraw/zinc/48/94/43/906489443.db2.gz RCZJYOTZSNSEIT-VXGBXAGGSA-N 1 3 286.420 -0.149 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001418821634 906490778 /nfs/dbraw/zinc/49/07/78/906490778.db2.gz RRVFYNKIJIUALT-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001418821634 906490792 /nfs/dbraw/zinc/49/07/92/906490792.db2.gz RRVFYNKIJIUALT-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001419224718 906640176 /nfs/dbraw/zinc/64/01/76/906640176.db2.gz RVRHVCJZEIZETB-JQWIXIFHSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001419389117 906676739 /nfs/dbraw/zinc/67/67/39/906676739.db2.gz DPGCZFKHBVEVDH-HAQNSBGRSA-N 1 3 284.404 -0.171 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419412174 906683541 /nfs/dbraw/zinc/68/35/41/906683541.db2.gz JQIFXXMFYXUROK-CYDGBPFRSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(N)=O ZINC001419472745 906697600 /nfs/dbraw/zinc/69/76/00/906697600.db2.gz VGXPCZACULASFU-SNVBAGLBSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(N)=O ZINC001419466735 906698331 /nfs/dbraw/zinc/69/83/31/906698331.db2.gz GMIFXIWMOGPQLY-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)N(C)C ZINC001419474583 906699350 /nfs/dbraw/zinc/69/93/50/906699350.db2.gz ZUEGRICGXFAGQT-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001419703628 906773092 /nfs/dbraw/zinc/77/30/92/906773092.db2.gz NQNRHEUCEVZLBC-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+](C)C ZINC001419705707 906775207 /nfs/dbraw/zinc/77/52/07/906775207.db2.gz RPVKPVWXIJTCHW-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001419766014 906808993 /nfs/dbraw/zinc/80/89/93/906808993.db2.gz MQWDPUZCDUKARN-GHMZBOCLSA-N 1 3 272.393 -0.363 20 0 CBADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419800688 906819275 /nfs/dbraw/zinc/81/92/75/906819275.db2.gz RZRGOFZQHNVHCA-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419800688 906819287 /nfs/dbraw/zinc/81/92/87/906819287.db2.gz RZRGOFZQHNVHCA-QWHCGFSZSA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001419826494 906826835 /nfs/dbraw/zinc/82/68/35/906826835.db2.gz BJZWWCQESDQHSI-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001419831511 906827061 /nfs/dbraw/zinc/82/70/61/906827061.db2.gz GNPCTTZPWJZKGY-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001419826507 906828101 /nfs/dbraw/zinc/82/81/01/906828101.db2.gz BJZWWCQESDQHSI-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904794 906853660 /nfs/dbraw/zinc/85/36/60/906853660.db2.gz QIXKUZLEPKARTD-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001419904794 906853672 /nfs/dbraw/zinc/85/36/72/906853672.db2.gz QIXKUZLEPKARTD-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001420012667 906894992 /nfs/dbraw/zinc/89/49/92/906894992.db2.gz KXNFTSAIGZHRIJ-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH+]1CCC(OCC(=O)N2CC(N[C@@H]3CCOC3)C2)CC1 ZINC001420140134 906965486 /nfs/dbraw/zinc/96/54/86/906965486.db2.gz BRRAMBNLKVSFMH-GFCCVEGCSA-N 1 3 297.399 -0.314 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001420246398 907041901 /nfs/dbraw/zinc/04/19/01/907041901.db2.gz OUSIXFAJKHNCQX-RYUDHWBXSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001420246395 907045608 /nfs/dbraw/zinc/04/56/08/907045608.db2.gz OUSIXFAJKHNCQX-NWDGAFQWSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001420298909 907087851 /nfs/dbraw/zinc/08/78/51/907087851.db2.gz JWEMEGUTHMKYIG-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO COC[C@H](O)CN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334431 907108114 /nfs/dbraw/zinc/10/81/14/907108114.db2.gz PZNDJDLPPTYHFF-GFCCVEGCSA-N 1 3 285.388 -0.863 20 0 CBADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001420347036 907113960 /nfs/dbraw/zinc/11/39/60/907113960.db2.gz XWAAEVPJCAMZKB-VWYCJHECSA-N 1 3 272.393 -0.315 20 0 CBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001420463824 907174102 /nfs/dbraw/zinc/17/41/02/907174102.db2.gz RLZFAWMQEFCYNR-WCQYABFASA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)[NH+](C)C ZINC001420735534 907288567 /nfs/dbraw/zinc/28/85/67/907288567.db2.gz AYSWIRNXJDYDGW-QWRGUYRKSA-N 1 3 272.393 -0.506 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC ZINC001420739231 907289376 /nfs/dbraw/zinc/28/93/76/907289376.db2.gz JMTISVLRUAZQKH-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001420952288 907373003 /nfs/dbraw/zinc/37/30/03/907373003.db2.gz WXQJNBZLANWNDG-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001421253228 907476323 /nfs/dbraw/zinc/47/63/23/907476323.db2.gz JXDNWARCZOXLMS-DZGCQCFKSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001421383771 907513847 /nfs/dbraw/zinc/51/38/47/907513847.db2.gz CSIYGLRZSDPOKZ-JSGCOSHPSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001421383771 907513857 /nfs/dbraw/zinc/51/38/57/907513857.db2.gz CSIYGLRZSDPOKZ-JSGCOSHPSA-N 1 3 287.404 -0.740 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001502061219 921330931 /nfs/dbraw/zinc/33/09/31/921330931.db2.gz VIUNVSCMJXTCOV-STQMWFEESA-N 1 3 287.404 -0.618 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC1 ZINC001421561127 907578890 /nfs/dbraw/zinc/57/88/90/907578890.db2.gz OHVSQGCLNCASSE-HNNXBMFYSA-N 1 3 296.415 -0.312 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)N(C)C ZINC001421940643 907687219 /nfs/dbraw/zinc/68/72/19/907687219.db2.gz IRTAIMLNGSZIIM-QWRGUYRKSA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001422012544 907701611 /nfs/dbraw/zinc/70/16/11/907701611.db2.gz GYINKBMXPVUEFR-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001422283631 907777462 /nfs/dbraw/zinc/77/74/62/907777462.db2.gz AVMIUABDMXDEKW-UHFFFAOYSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC ZINC001422419933 907849121 /nfs/dbraw/zinc/84/91/21/907849121.db2.gz OSBOAIBZHJACPO-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001422449174 907860724 /nfs/dbraw/zinc/86/07/24/907860724.db2.gz JQLCFNCCTGVAJN-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001422456699 907868323 /nfs/dbraw/zinc/86/83/23/907868323.db2.gz DNYSMYNRZIEEBJ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001422548303 907921743 /nfs/dbraw/zinc/92/17/43/907921743.db2.gz AZBJCMPOXWTQQY-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422592009 907937325 /nfs/dbraw/zinc/93/73/25/907937325.db2.gz UXWKWIXAJOVKPR-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422592009 907937345 /nfs/dbraw/zinc/93/73/45/907937345.db2.gz UXWKWIXAJOVKPR-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001422699049 907975736 /nfs/dbraw/zinc/97/57/36/907975736.db2.gz UXEJTPPDGXPVLF-SRVKXCTJSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001422693969 907976921 /nfs/dbraw/zinc/97/69/21/907976921.db2.gz AJLOLQGEWASAKS-WDEREUQCSA-N 1 3 286.420 -0.068 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001422733298 907987408 /nfs/dbraw/zinc/98/74/08/907987408.db2.gz ZFMYPSDGNLPMOD-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001422733298 907987423 /nfs/dbraw/zinc/98/74/23/907987423.db2.gz ZFMYPSDGNLPMOD-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001422905549 908052844 /nfs/dbraw/zinc/05/28/44/908052844.db2.gz HNZJVTQMIWHCKZ-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001423046431 908090315 /nfs/dbraw/zinc/09/03/15/908090315.db2.gz ADWKYPHCWKPPRO-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001423046431 908090331 /nfs/dbraw/zinc/09/03/31/908090331.db2.gz ADWKYPHCWKPPRO-RYUDHWBXSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H](NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001423275646 908189320 /nfs/dbraw/zinc/18/93/20/908189320.db2.gz QOUVJSDBEKVRFQ-LBPRGKRZSA-N 1 3 296.415 -0.170 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001423353582 908210064 /nfs/dbraw/zinc/21/00/64/908210064.db2.gz YXFOGLHPYSFYPY-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001423353582 908210075 /nfs/dbraw/zinc/21/00/75/908210075.db2.gz YXFOGLHPYSFYPY-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001423472611 908248184 /nfs/dbraw/zinc/24/81/84/908248184.db2.gz ZEVHWYFMUNYRHG-PWSUYJOCSA-N 1 3 284.360 -0.604 20 0 CBADHO CC1([NH2+]CC(N)=O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001502799030 921393411 /nfs/dbraw/zinc/39/34/11/921393411.db2.gz YHGFKEIWFWROAP-UHFFFAOYSA-N 1 3 279.344 -0.592 20 0 CBADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001502805429 921393531 /nfs/dbraw/zinc/39/35/31/921393531.db2.gz GORWDUAPXIZYDF-UHFFFAOYSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423535380 908274583 /nfs/dbraw/zinc/27/45/83/908274583.db2.gz ABWUNZCLQRNKNY-GFCCVEGCSA-N 1 3 287.404 -0.928 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424297407 908440854 /nfs/dbraw/zinc/44/08/54/908440854.db2.gz QILPWFIVFHLZBE-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001424758266 908499384 /nfs/dbraw/zinc/49/93/84/908499384.db2.gz ZLNQVVHXYLPRFJ-WXRRBKDZSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC(N)=O ZINC001424802396 908507967 /nfs/dbraw/zinc/50/79/67/908507967.db2.gz GYMBSDFVTRWXED-WDEREUQCSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC(N)=O ZINC001424802392 908508749 /nfs/dbraw/zinc/50/87/49/908508749.db2.gz GYMBSDFVTRWXED-QWRGUYRKSA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)CCN1CCCC1=O ZINC001425003870 908549630 /nfs/dbraw/zinc/54/96/30/908549630.db2.gz CAUKNWSRVJFFEP-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001505393063 921419299 /nfs/dbraw/zinc/41/92/99/921419299.db2.gz NGOVRZDXDQAQFN-CYBMUJFWSA-N 1 3 299.415 -0.736 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001505393063 921419305 /nfs/dbraw/zinc/41/93/05/921419305.db2.gz NGOVRZDXDQAQFN-CYBMUJFWSA-N 1 3 299.415 -0.736 20 0 CBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001425353908 908628925 /nfs/dbraw/zinc/62/89/25/908628925.db2.gz DQUXYZWKMYVOGY-OLZOCXBDSA-N 1 3 287.404 -0.476 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001425663024 908685981 /nfs/dbraw/zinc/68/59/81/908685981.db2.gz PQONOSBZOGEFIP-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001425663024 908685986 /nfs/dbraw/zinc/68/59/86/908685986.db2.gz PQONOSBZOGEFIP-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001425681644 908689237 /nfs/dbraw/zinc/68/92/37/908689237.db2.gz NEPSVPJIPCKYAQ-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001425681585 908689963 /nfs/dbraw/zinc/68/99/63/908689963.db2.gz NEPSVPJIPCKYAQ-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001425686149 908690964 /nfs/dbraw/zinc/69/09/64/908690964.db2.gz UZITZNKNLJVUOI-VXGBXAGGSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001425883436 908775730 /nfs/dbraw/zinc/77/57/30/908775730.db2.gz DQEFVMUHIMRXFH-QWHCGFSZSA-N 1 3 298.431 -0.006 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001426234726 908848804 /nfs/dbraw/zinc/84/88/04/908848804.db2.gz NQZRTSCAPKXUHW-WXRRBKDZSA-N 1 3 296.415 -0.252 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505760782 921476439 /nfs/dbraw/zinc/47/64/39/921476439.db2.gz OYYXZGQIYKXXAR-NEPJUHHUSA-N 1 3 286.420 -0.102 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505760783 921478856 /nfs/dbraw/zinc/47/88/56/921478856.db2.gz OYYXZGQIYKXXAR-NWDGAFQWSA-N 1 3 286.420 -0.102 20 0 CBADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001429382194 909236967 /nfs/dbraw/zinc/23/69/67/909236967.db2.gz GHMZWRRSHDORQN-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001429382194 909236985 /nfs/dbraw/zinc/23/69/85/909236985.db2.gz GHMZWRRSHDORQN-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001430206813 909313373 /nfs/dbraw/zinc/31/33/73/909313373.db2.gz DYCTXHDTWUUKTH-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430206813 909313379 /nfs/dbraw/zinc/31/33/79/909313379.db2.gz DYCTXHDTWUUKTH-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001433729065 909831813 /nfs/dbraw/zinc/83/18/13/909831813.db2.gz OHGXZRIZUKDHPH-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001434383600 910141659 /nfs/dbraw/zinc/14/16/59/910141659.db2.gz HIXVTMSLGSNQGQ-DOMZBBRYSA-N 1 3 297.399 -0.578 20 0 CBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001434383600 910141671 /nfs/dbraw/zinc/14/16/71/910141671.db2.gz HIXVTMSLGSNQGQ-DOMZBBRYSA-N 1 3 297.399 -0.578 20 0 CBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001434383603 910142699 /nfs/dbraw/zinc/14/26/99/910142699.db2.gz HIXVTMSLGSNQGQ-WFASDCNBSA-N 1 3 297.399 -0.578 20 0 CBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001434383603 910142719 /nfs/dbraw/zinc/14/27/19/910142719.db2.gz HIXVTMSLGSNQGQ-WFASDCNBSA-N 1 3 297.399 -0.578 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001436400940 910436152 /nfs/dbraw/zinc/43/61/52/910436152.db2.gz DBBLJZPRCPTCLX-IJLUTSLNSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001436378218 910439026 /nfs/dbraw/zinc/43/90/26/910439026.db2.gz KVORFJCNBZOZLK-SRVKXCTJSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001436922696 910508736 /nfs/dbraw/zinc/50/87/36/910508736.db2.gz CQUWPGVKDIZOHG-SRVKXCTJSA-N 1 3 284.404 -0.301 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001436979735 910523192 /nfs/dbraw/zinc/52/31/92/910523192.db2.gz UJKGBGUHSVIXBM-FRRDWIJNSA-N 1 3 296.415 -0.158 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001437289450 910607295 /nfs/dbraw/zinc/60/72/95/910607295.db2.gz IGTHMYHXDPVPAM-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C[C@H]1CCc2ncnn21 ZINC001437515812 910670340 /nfs/dbraw/zinc/67/03/40/910670340.db2.gz MOWCZLKXKJCQQR-GFCCVEGCSA-N 1 3 294.403 -0.235 20 0 CBADHO C[C@H](NCCN(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001437829468 910755516 /nfs/dbraw/zinc/75/55/16/910755516.db2.gz JBFNHSKZTDVYRY-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841996 910765517 /nfs/dbraw/zinc/76/55/17/910765517.db2.gz ICEUQSLMUPWIOO-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001437841996 910765532 /nfs/dbraw/zinc/76/55/32/910765532.db2.gz ICEUQSLMUPWIOO-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001437858299 910772657 /nfs/dbraw/zinc/77/26/57/910772657.db2.gz OBHZLWUQKXSLCL-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991396 910793333 /nfs/dbraw/zinc/79/33/33/910793333.db2.gz MCDSFUTYAIZWPU-QWHCGFSZSA-N 1 3 298.431 -0.018 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001438214639 910840941 /nfs/dbraw/zinc/84/09/41/910840941.db2.gz AAJHKJZVKCYBKU-JHJVBQTASA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001438214639 910840950 /nfs/dbraw/zinc/84/09/50/910840950.db2.gz AAJHKJZVKCYBKU-JHJVBQTASA-N 1 3 285.388 -0.864 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438381256 910886902 /nfs/dbraw/zinc/88/69/02/910886902.db2.gz WPHQUYFRSNXGCL-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438381256 910886906 /nfs/dbraw/zinc/88/69/06/910886906.db2.gz WPHQUYFRSNXGCL-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438608070 910926591 /nfs/dbraw/zinc/92/65/91/910926591.db2.gz RKANYRRDDUXXQK-LBPRGKRZSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438650605 910946951 /nfs/dbraw/zinc/94/69/51/910946951.db2.gz ZYRSWDFFQXKLNF-ZYHUDNBSSA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001438996857 911045510 /nfs/dbraw/zinc/04/55/10/911045510.db2.gz HELRFKNQBQZIHO-QWHCGFSZSA-N 1 3 297.403 -0.673 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439176818 911130082 /nfs/dbraw/zinc/13/00/82/911130082.db2.gz CVZANOHFJFVYDT-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439176818 911130094 /nfs/dbraw/zinc/13/00/94/911130094.db2.gz CVZANOHFJFVYDT-GHMZBOCLSA-N 1 3 270.377 -0.879 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439251303 911154033 /nfs/dbraw/zinc/15/40/33/911154033.db2.gz DZHRAOPEOOCYBV-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO NC(=O)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001439455350 911213838 /nfs/dbraw/zinc/21/38/38/911213838.db2.gz BLKDHJIFGUXATG-QWHCGFSZSA-N 1 3 294.399 -0.702 20 0 CBADHO CN1CC[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471985 911218378 /nfs/dbraw/zinc/21/83/78/911218378.db2.gz NZFYEZXWIFALHJ-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO NC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001439484075 911219240 /nfs/dbraw/zinc/21/92/40/911219240.db2.gz LGVAMWHHVWTSOM-NSHDSACASA-N 1 3 280.372 -0.948 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001439492465 911222052 /nfs/dbraw/zinc/22/20/52/911222052.db2.gz DFZQLKZDZKNZEM-ZDUSSCGKSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001439900904 911310635 /nfs/dbraw/zinc/31/06/35/911310635.db2.gz ISGKMULVKDAVNQ-OAHLLOKOSA-N 1 3 298.431 -0.098 20 0 CBADHO C[NH+](C)CC1(C(=O)NCC2(NCC(N)=O)CCC2)CC1 ZINC001440333515 911433373 /nfs/dbraw/zinc/43/33/73/911433373.db2.gz NETKHZSKQJSSQA-UHFFFAOYSA-N 1 3 282.388 -0.558 20 0 CBADHO CNC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001440352490 911433776 /nfs/dbraw/zinc/43/37/76/911433776.db2.gz ABEMIEYIMXNINZ-UHFFFAOYSA-N 1 3 294.399 -0.543 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001440414106 911446058 /nfs/dbraw/zinc/44/60/58/911446058.db2.gz VESPEQVLSJCHAL-YNEHKIRRSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841174 911527703 /nfs/dbraw/zinc/52/77/03/911527703.db2.gz NDAPACCLENNHCW-MNOVXSKESA-N 1 3 282.388 -0.689 20 0 CBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440841171 911528866 /nfs/dbraw/zinc/52/88/66/911528866.db2.gz NDAPACCLENNHCW-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441218630 911624933 /nfs/dbraw/zinc/62/49/33/911624933.db2.gz AGWGQSRXWHHIRP-LBPRGKRZSA-N 1 3 298.431 -0.066 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001441383403 911655934 /nfs/dbraw/zinc/65/59/34/911655934.db2.gz ZLNQVVHXYLPRFJ-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441380960 911656098 /nfs/dbraw/zinc/65/60/98/911656098.db2.gz AQHPDSQLPHIACG-NQBHXWOUSA-N 1 3 296.415 -0.029 20 0 CBADHO CN(C)C(=O)CN(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001441391208 911662784 /nfs/dbraw/zinc/66/27/84/911662784.db2.gz ZHSNSAIPXUCPPI-UHFFFAOYSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001441544510 911701326 /nfs/dbraw/zinc/70/13/26/911701326.db2.gz WIVNMNHEKHTTCG-WDEREUQCSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N(C)C ZINC001441595468 911710360 /nfs/dbraw/zinc/71/03/60/911710360.db2.gz QLWPGWXSIGXSDT-LLVKDONJSA-N 1 3 272.393 -0.537 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(N)=O)[NH+](C)C ZINC001441625261 911717121 /nfs/dbraw/zinc/71/71/21/911717121.db2.gz XAWGRDSIBVBWFM-JQWIXIFHSA-N 1 3 272.393 -0.506 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C ZINC001441657984 911726588 /nfs/dbraw/zinc/72/65/88/911726588.db2.gz YOWBYRQADMFNJC-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C ZINC001441657984 911726597 /nfs/dbraw/zinc/72/65/97/911726597.db2.gz YOWBYRQADMFNJC-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001441661088 911728258 /nfs/dbraw/zinc/72/82/58/911728258.db2.gz SNJHLEQXQBXXEK-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001507161555 921691865 /nfs/dbraw/zinc/69/18/65/921691865.db2.gz LZPDXGCJJPMDQF-VXGBXAGGSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841862 911828756 /nfs/dbraw/zinc/82/87/56/911828756.db2.gz RPSUAMFDKVXIGK-NEPJUHHUSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845738 911836752 /nfs/dbraw/zinc/83/67/52/911836752.db2.gz YYGXFXNKXSOQMX-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001441841872 911836966 /nfs/dbraw/zinc/83/69/66/911836966.db2.gz RPSUAMFDKVXIGK-RYUDHWBXSA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCCS(C)(=O)=O ZINC001441940146 911857483 /nfs/dbraw/zinc/85/74/83/911857483.db2.gz NZLWZOOTWVBAOL-JTQLQIEISA-N 1 3 279.406 -0.923 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001441940435 911858882 /nfs/dbraw/zinc/85/88/82/911858882.db2.gz KHOWSYINFHIPMR-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001441940435 911858890 /nfs/dbraw/zinc/85/88/90/911858890.db2.gz KHOWSYINFHIPMR-DCAQKATOSA-N 1 3 270.377 -0.704 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001442165984 911941659 /nfs/dbraw/zinc/94/16/59/911941659.db2.gz BBLJATQQXZOOSX-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001442350232 911980566 /nfs/dbraw/zinc/98/05/66/911980566.db2.gz JPCNKFPGOYJUBY-WCQYABFASA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001442350223 911981975 /nfs/dbraw/zinc/98/19/75/911981975.db2.gz JPCNKFPGOYJUBY-DGCLKSJQSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001443099716 912158832 /nfs/dbraw/zinc/15/88/32/912158832.db2.gz JDXDIGOVKFOJTA-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCOC2CCC2)C1 ZINC001507261414 921793457 /nfs/dbraw/zinc/79/34/57/921793457.db2.gz SBTMXZSQOLVZTG-STQMWFEESA-N 1 3 299.415 -0.426 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCOC2CCC2)C1 ZINC001507261414 921793468 /nfs/dbraw/zinc/79/34/68/921793468.db2.gz SBTMXZSQOLVZTG-STQMWFEESA-N 1 3 299.415 -0.426 20 0 CBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507316833 921808085 /nfs/dbraw/zinc/80/80/85/921808085.db2.gz FHDVUEARYDLETQ-QWRGUYRKSA-N 1 3 282.388 -0.608 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001480029012 916266281 /nfs/dbraw/zinc/26/62/81/916266281.db2.gz ZEHCIJVUKNPVGT-CYBMUJFWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001480478488 916431790 /nfs/dbraw/zinc/43/17/90/916431790.db2.gz ZKGIHEAWPYXIPI-CMPLNLGQSA-N 1 3 282.388 -0.547 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571557 916479677 /nfs/dbraw/zinc/47/96/77/916479677.db2.gz INXUFLMYFLYNLD-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571557 916479690 /nfs/dbraw/zinc/47/96/90/916479690.db2.gz INXUFLMYFLYNLD-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001480598209 916486432 /nfs/dbraw/zinc/48/64/32/916486432.db2.gz ZDCMTDDCFJQVMO-LBPRGKRZSA-N 1 3 286.420 -0.055 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001480649056 916510321 /nfs/dbraw/zinc/51/03/21/916510321.db2.gz RUDJDRGXLCUPGR-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001480674373 916515700 /nfs/dbraw/zinc/51/57/00/916515700.db2.gz OSOVWWDFJCXCMP-MNOVXSKESA-N 1 3 270.377 -0.750 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481228637 916778364 /nfs/dbraw/zinc/77/83/64/916778364.db2.gz HHJZCSQUAUERHW-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481228637 916778368 /nfs/dbraw/zinc/77/83/68/916778368.db2.gz HHJZCSQUAUERHW-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)CC[NH+](C)C ZINC001481276477 916803211 /nfs/dbraw/zinc/80/32/11/916803211.db2.gz BXUGJXIINKPNSM-UHFFFAOYSA-N 1 3 272.393 -0.536 20 0 CBADHO CN(C)C(=O)CNCCN(C)C(=O)CC[NH+](C)C ZINC001481277609 916804591 /nfs/dbraw/zinc/80/45/91/916804591.db2.gz ROMAYITZJLWYKN-UHFFFAOYSA-N 1 3 258.366 -0.926 20 0 CBADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314352 916814249 /nfs/dbraw/zinc/81/42/49/916814249.db2.gz FISDXOLQBBUOFL-GFCCVEGCSA-N 1 3 282.388 -0.782 20 0 CBADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314352 916814264 /nfs/dbraw/zinc/81/42/64/916814264.db2.gz FISDXOLQBBUOFL-GFCCVEGCSA-N 1 3 282.388 -0.782 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001481306533 916814551 /nfs/dbraw/zinc/81/45/51/916814551.db2.gz VFSCNBSIDFDKIH-ZDUSSCGKSA-N 1 3 286.420 -0.243 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314243 916815881 /nfs/dbraw/zinc/81/58/81/916815881.db2.gz BWSSQLSJABGERV-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314243 916815888 /nfs/dbraw/zinc/81/58/88/916815888.db2.gz BWSSQLSJABGERV-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314678 916817763 /nfs/dbraw/zinc/81/77/63/916817763.db2.gz JWIIVPQJYFEZNS-VXGBXAGGSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314678 916817776 /nfs/dbraw/zinc/81/77/76/916817776.db2.gz JWIIVPQJYFEZNS-VXGBXAGGSA-N 1 3 282.388 -0.783 20 0 CBADHO CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CCN(CCO)C1 ZINC001481748533 916979159 /nfs/dbraw/zinc/97/91/59/916979159.db2.gz QNGCGDSVVOEFNW-CYBMUJFWSA-N 1 3 299.415 -0.378 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481873592 917012337 /nfs/dbraw/zinc/01/23/37/917012337.db2.gz BFHQWJSQCYIVSS-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481873592 917012349 /nfs/dbraw/zinc/01/23/49/917012349.db2.gz BFHQWJSQCYIVSS-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481873590 917013687 /nfs/dbraw/zinc/01/36/87/917013687.db2.gz BFHQWJSQCYIVSS-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481873590 917013692 /nfs/dbraw/zinc/01/36/92/917013692.db2.gz BFHQWJSQCYIVSS-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001482057702 917034810 /nfs/dbraw/zinc/03/48/10/917034810.db2.gz QLRRRMHMMHMWOW-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001482057702 917034824 /nfs/dbraw/zinc/03/48/24/917034824.db2.gz QLRRRMHMMHMWOW-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001482495836 917150422 /nfs/dbraw/zinc/15/04/22/917150422.db2.gz STZFTGSFJDQYBL-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001482840642 917309096 /nfs/dbraw/zinc/30/90/96/917309096.db2.gz YCOUDFUPFQXOJX-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001482966708 917350489 /nfs/dbraw/zinc/35/04/89/917350489.db2.gz HETCYOAMKGFOFX-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001482966708 917350502 /nfs/dbraw/zinc/35/05/02/917350502.db2.gz HETCYOAMKGFOFX-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(N)=O ZINC001483054198 917390964 /nfs/dbraw/zinc/39/09/64/917390964.db2.gz KPZYOINKVAJDKX-YEZKRMTDSA-N 1 3 256.350 -0.926 20 0 CBADHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054202 917393844 /nfs/dbraw/zinc/39/38/44/917393844.db2.gz KUNURCVCQVWHAL-DLRQAJBASA-N 1 3 282.388 -0.536 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC ZINC001483182335 917454164 /nfs/dbraw/zinc/45/41/64/917454164.db2.gz UVBNPGVNCXGHKT-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNCC(N)=O)CC1 ZINC001483180837 917451792 /nfs/dbraw/zinc/45/17/92/917451792.db2.gz 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917575057 /nfs/dbraw/zinc/57/50/57/917575057.db2.gz YOAUAGSXGDFPCM-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001483484888 917579550 /nfs/dbraw/zinc/57/95/50/917579550.db2.gz VDBCNISHTCIKQM-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483940910 917707541 /nfs/dbraw/zinc/70/75/41/917707541.db2.gz ILLBWCCFDGXLLG-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072491 917734136 /nfs/dbraw/zinc/73/41/36/917734136.db2.gz VOQVBYJUVAIYIQ-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072491 917734150 /nfs/dbraw/zinc/73/41/50/917734150.db2.gz VOQVBYJUVAIYIQ-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC)C1)N(C)C ZINC001484238881 917787286 /nfs/dbraw/zinc/78/72/86/917787286.db2.gz ZNSDAURTEIOIOF-AAEUAGOBSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC)C1)N(C)C ZINC001484238881 917787299 /nfs/dbraw/zinc/78/72/99/917787299.db2.gz ZNSDAURTEIOIOF-AAEUAGOBSA-N 1 3 257.378 -0.101 20 0 CBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001484681786 917921372 /nfs/dbraw/zinc/92/13/72/917921372.db2.gz ZNBMIYSQJGNSBB-ZDUSSCGKSA-N 1 3 285.388 -0.720 20 0 CBADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485215238 918032790 /nfs/dbraw/zinc/03/27/90/918032790.db2.gz LUTNTDHJXRZACF-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485229847 918033050 /nfs/dbraw/zinc/03/30/50/918033050.db2.gz MWKGJBRIZZLVLC-UWVGGRQHSA-N 1 3 258.366 -0.705 20 0 CBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCO ZINC001485343593 918082544 /nfs/dbraw/zinc/08/25/44/918082544.db2.gz HMINFGZVTQOZMP-LLVKDONJSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)C(N)=O ZINC001485916522 918224535 /nfs/dbraw/zinc/22/45/35/918224535.db2.gz 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918976504 /nfs/dbraw/zinc/97/65/04/918976504.db2.gz XVXLSZJCAOVHPQ-SDDRHHMPSA-N 1 3 282.388 -0.594 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC ZINC001491474597 919177759 /nfs/dbraw/zinc/17/77/59/919177759.db2.gz VLTXPCNSRLEIAP-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC ZINC001491474597 919177778 /nfs/dbraw/zinc/17/77/78/919177778.db2.gz VLTXPCNSRLEIAP-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001491569827 919212933 /nfs/dbraw/zinc/21/29/33/919212933.db2.gz UIBJBOOUGVYOET-NSHDSACASA-N 1 3 272.393 -0.443 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001491849113 919290312 /nfs/dbraw/zinc/29/03/12/919290312.db2.gz DKRSMINBQSECIW-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001491855840 919290676 /nfs/dbraw/zinc/29/06/76/919290676.db2.gz IIKFHBXMTMATPX-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001491849701 919291046 /nfs/dbraw/zinc/29/10/46/919291046.db2.gz KQMFAPYFNOYLOJ-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001491876723 919294433 /nfs/dbraw/zinc/29/44/33/919294433.db2.gz IDAZERCKLGXPTF-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001492853132 919434792 /nfs/dbraw/zinc/43/47/92/919434792.db2.gz AJFZETOCBOGHAN-AWEZNQCLSA-N 1 3 293.415 -0.038 20 0 CBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001492853132 919434798 /nfs/dbraw/zinc/43/47/98/919434798.db2.gz AJFZETOCBOGHAN-AWEZNQCLSA-N 1 3 293.415 -0.038 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001493235660 919508191 /nfs/dbraw/zinc/50/81/91/919508191.db2.gz XELLTGPBQUAROO-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(CCNCC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493584142 919585232 /nfs/dbraw/zinc/58/52/32/919585232.db2.gz 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/nfs/dbraw/zinc/61/68/46/919616846.db2.gz KHPGWVPSONXJQU-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCCNC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493761443 919616855 /nfs/dbraw/zinc/61/68/55/919616855.db2.gz KHPGWVPSONXJQU-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793717 919620295 /nfs/dbraw/zinc/62/02/95/919620295.db2.gz KSQDZVHCWRUPFB-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793717 919620301 /nfs/dbraw/zinc/62/03/01/919620301.db2.gz KSQDZVHCWRUPFB-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001493770036 919621122 /nfs/dbraw/zinc/62/11/22/919621122.db2.gz XSBBCNPXRMMZTE-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001493806842 919626584 /nfs/dbraw/zinc/62/65/84/919626584.db2.gz PZVILYNZTYIMCW-JTQLQIEISA-N 1 3 258.366 -0.752 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001496210083 920041531 /nfs/dbraw/zinc/04/15/31/920041531.db2.gz OROURGADKRJIKO-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001496208962 920042831 /nfs/dbraw/zinc/04/28/31/920042831.db2.gz ICGZCWXXYCLLOG-WDEREUQCSA-N 1 3 272.393 -0.362 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230433 920047986 /nfs/dbraw/zinc/04/79/86/920047986.db2.gz WLJQZFHJRKZSSH-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496230433 920048002 /nfs/dbraw/zinc/04/80/02/920048002.db2.gz WLJQZFHJRKZSSH-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(CCOCCO)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496817365 920137238 /nfs/dbraw/zinc/13/72/38/920137238.db2.gz XQQQSKOJXXQTMN-UHFFFAOYSA-N 1 3 299.415 -0.519 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001497442862 920306216 /nfs/dbraw/zinc/30/62/16/920306216.db2.gz XSXALPMCBBFSPF-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495401 920309610 /nfs/dbraw/zinc/30/96/10/920309610.db2.gz GTQKMGUFWNJHOB-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495401 920309628 /nfs/dbraw/zinc/30/96/28/920309628.db2.gz GTQKMGUFWNJHOB-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CCNC(=O)CNCCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484195 920309978 /nfs/dbraw/zinc/30/99/78/920309978.db2.gz JCGBZNAWZIIQBD-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCNC(=O)CNCCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497484195 920309990 /nfs/dbraw/zinc/30/99/90/920309990.db2.gz JCGBZNAWZIIQBD-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN1CC[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)C1=O ZINC001497676303 920365927 /nfs/dbraw/zinc/36/59/27/920365927.db2.gz XNIXNYGAFJGVFJ-CFHLNLSMSA-N 1 3 296.415 -0.179 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001497992580 920433643 /nfs/dbraw/zinc/43/36/43/920433643.db2.gz FOFQROKBJXXDAO-GFCCVEGCSA-N 1 3 299.419 -0.554 20 0 CBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498095800 920479401 /nfs/dbraw/zinc/47/94/01/920479401.db2.gz BNHVFOBHYOZTSM-NSHDSACASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498104582 920480736 /nfs/dbraw/zinc/48/07/36/920480736.db2.gz FVHKZRULMZYGRS-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001498197383 920515598 /nfs/dbraw/zinc/51/55/98/920515598.db2.gz MMGIYVWRMWTIII-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001498652502 920622934 /nfs/dbraw/zinc/62/29/34/920622934.db2.gz CREAZUGKLLNSNM-CYBMUJFWSA-N 1 3 296.415 -0.249 20 0 CBADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448930 920747403 /nfs/dbraw/zinc/74/74/03/920747403.db2.gz XMAZICCKNPBRJD-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448930 920747412 /nfs/dbraw/zinc/74/74/12/920747412.db2.gz XMAZICCKNPBRJD-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001499448932 920749428 /nfs/dbraw/zinc/74/94/28/920749428.db2.gz XMAZICCKNPBRJD-QWRGUYRKSA-N 1 3 282.388 -0.560 20 0 CBADHO CC[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001499448932 920749444 /nfs/dbraw/zinc/74/94/44/920749444.db2.gz XMAZICCKNPBRJD-QWRGUYRKSA-N 1 3 282.388 -0.560 20 0 CBADHO C[NH+]1CCC(CC(=O)NC[C@@]2(O)CCN(CCO)C2)CC1 ZINC001500735862 920870412 /nfs/dbraw/zinc/87/04/12/920870412.db2.gz ILLOPQXTDKWCHN-HNNXBMFYSA-N 1 3 299.415 -0.736 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051088 920941033 /nfs/dbraw/zinc/94/10/33/920941033.db2.gz RHAZTOSBRLUQJQ-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001501084377 920945208 /nfs/dbraw/zinc/94/52/08/920945208.db2.gz UTIZQMUUFGZJMA-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648374 921050729 /nfs/dbraw/zinc/05/07/29/921050729.db2.gz XZWGPVAEQBYISU-ZDUSSCGKSA-N 1 3 296.415 -0.344 20 0 CBADHO CN(C)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507444951 921823281 /nfs/dbraw/zinc/82/32/81/921823281.db2.gz ZHNRYUCGOIKLLT-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001507419630 921823881 /nfs/dbraw/zinc/82/38/81/921823881.db2.gz WBANAHAGETUBRL-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001508016216 921903043 /nfs/dbraw/zinc/90/30/43/921903043.db2.gz OJZWYLDMHFYPOO-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001508112157 921913240 /nfs/dbraw/zinc/91/32/40/921913240.db2.gz CICFYWDHURDMGJ-VOMCLLRMSA-N 1 3 296.415 -0.077 20 0 CBADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001514838203 922221403 /nfs/dbraw/zinc/22/14/03/922221403.db2.gz HWXSZYYCIYKNKY-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001514838207 922222503 /nfs/dbraw/zinc/22/25/03/922222503.db2.gz HWXSZYYCIYKNKY-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001521511794 922366540 /nfs/dbraw/zinc/36/65/40/922366540.db2.gz DACDYCGFSHCJQN-LBPRGKRZSA-N 1 3 266.389 -0.508 20 0 CBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2c1CNC2 ZINC001522248514 922403453 /nfs/dbraw/zinc/40/34/53/922403453.db2.gz IUTKIHLONFQQPA-LLVKDONJSA-N 1 3 263.341 -0.058 20 0 CBADHO NC1(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001522564942 922468907 /nfs/dbraw/zinc/46/89/07/922468907.db2.gz WUICOKHIMJZWCU-JTQLQIEISA-N 1 3 253.346 -0.247 20 0 CBADHO [NH3+][C@@H]1C[C@H](NC(=O)C[C@H]2CNCCO2)C12CCC2 ZINC001523605990 922601014 /nfs/dbraw/zinc/60/10/14/922601014.db2.gz RBHSKUPAUMTDBF-AXFHLTTASA-N 1 3 253.346 -0.249 20 0 CBADHO C[C@H]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)C1 ZINC001548553341 923374827 /nfs/dbraw/zinc/37/48/27/923374827.db2.gz SIHFSRMLNGJFFB-SCRDCRAPSA-N 1 3 267.373 -0.177 20 0 CBADHO CN1CCNC[C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001548554724 923380472 /nfs/dbraw/zinc/38/04/72/923380472.db2.gz JQISHXGXWYGWKV-NEPJUHHUSA-N 1 3 252.362 -0.757 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC001548558259 923384087 /nfs/dbraw/zinc/38/40/87/923384087.db2.gz OCQIKHKMJRTMKQ-NWDGAFQWSA-N 1 3 268.405 -0.216 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001548570188 923394954 /nfs/dbraw/zinc/39/49/54/923394954.db2.gz TYMWCPJOJHJOMF-CHWSQXEVSA-N 1 3 275.352 -0.197 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC2(CNC2)O1 ZINC001548575837 923399880 /nfs/dbraw/zinc/39/98/80/923399880.db2.gz JKMZXEIOZYBREV-WDEREUQCSA-N 1 3 283.372 -0.670 20 0 CBADHO C[C@@H](C(=O)N1CC2(CNC2)OC(C)(C)C1)[C@H](C)[NH3+] ZINC001548578507 923403056 /nfs/dbraw/zinc/40/30/56/923403056.db2.gz MXDZDPHXFCRDMF-ZJUUUORDSA-N 1 3 255.362 -0.051 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC001548583907 923406591 /nfs/dbraw/zinc/40/65/91/923406591.db2.gz FOGPWKRDCDHRIT-VXGBXAGGSA-N 1 3 296.415 -0.408 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548711051 923465420 /nfs/dbraw/zinc/46/54/20/923465420.db2.gz QMCFQJXUIHWODX-BFHYXJOUSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548711051 923465427 /nfs/dbraw/zinc/46/54/27/923465427.db2.gz QMCFQJXUIHWODX-BFHYXJOUSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711053 923466784 /nfs/dbraw/zinc/46/67/84/923466784.db2.gz QMCFQJXUIHWODX-MGPQQGTHSA-N 1 3 280.416 -0.073 20 0 CBADHO CC[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711053 923466792 /nfs/dbraw/zinc/46/67/92/923466792.db2.gz QMCFQJXUIHWODX-MGPQQGTHSA-N 1 3 280.416 -0.073 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3[NH3+])C2)nn1 ZINC001549031967 923527828 /nfs/dbraw/zinc/52/78/28/923527828.db2.gz DXXVRCNENBEMJX-OUAUKWLOSA-N 1 3 264.333 -0.753 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045762 923538492 /nfs/dbraw/zinc/53/84/92/923538492.db2.gz ISQXWYLCUQVCEH-ZJUUUORDSA-N 1 3 276.331 -0.525 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4[NH2+]3)C2)nn1 ZINC001549046908 923542039 /nfs/dbraw/zinc/54/20/39/923542039.db2.gz CRPFOMAPVAFDMN-RYDUCSDGSA-N 1 3 290.371 -0.349 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046921 923542256 /nfs/dbraw/zinc/54/22/56/923542256.db2.gz CZAUTBFVFMSADS-WCQYABFASA-N 1 3 296.350 -0.398 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001549046891 923543262 /nfs/dbraw/zinc/54/32/62/923543262.db2.gz BUZKIEMSSGTBCK-NWDGAFQWSA-N 1 3 280.376 -0.116 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)C[NH2+]C3CC3)C2)nn1 ZINC001549047552 923544729 /nfs/dbraw/zinc/54/47/29/923544729.db2.gz RKILAACMQGXPCE-LBPRGKRZSA-N 1 3 278.360 -0.348 20 0 CBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@@H]1C[NH2+]CCCO1 ZINC001549291629 923580751 /nfs/dbraw/zinc/58/07/51/923580751.db2.gz HBKRHCVBUYKINV-SRVKXCTJSA-N 1 3 273.352 -0.181 20 0 CBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549295120 923584830 /nfs/dbraw/zinc/58/48/30/923584830.db2.gz FCAQHQUVJULAHZ-FVCCEPFGSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549614154 923620654 /nfs/dbraw/zinc/62/06/54/923620654.db2.gz FYUONHYHKPMQRB-RWMBFGLXSA-N 1 3 294.399 -0.269 20 0 CBADHO NC1(C(=O)NCc2cccc(N3CC[C@H]([NH3+])C3)n2)CC1 ZINC001549725557 923629406 /nfs/dbraw/zinc/62/94/06/923629406.db2.gz ARIMHCBVTQUCMY-JTQLQIEISA-N 1 3 275.356 -0.274 20 0 CBADHO NC1(C(=O)NCc2ccncc2O[C@@H]2CC[NH2+]C2)CC1 ZINC001549729165 923633670 /nfs/dbraw/zinc/63/36/70/923633670.db2.gz OSTOLWAQPRSYNA-LLVKDONJSA-N 1 3 276.340 -0.070 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550096571 923677715 /nfs/dbraw/zinc/67/77/15/923677715.db2.gz LISYPGKNFMCJFW-KGYLQXTDSA-N 1 3 292.387 -0.150 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550096571 923677734 /nfs/dbraw/zinc/67/77/34/923677734.db2.gz LISYPGKNFMCJFW-KGYLQXTDSA-N 1 3 292.387 -0.150 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096296 923680175 /nfs/dbraw/zinc/68/01/75/923680175.db2.gz JNJLNFSIAFXLIQ-AVGNSLFASA-N 1 3 292.387 -0.102 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097490 923682072 /nfs/dbraw/zinc/68/20/72/923682072.db2.gz OURBWANQRJYTBH-JQWIXIFHSA-N 1 3 278.360 -0.490 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122408 923695054 /nfs/dbraw/zinc/69/50/54/923695054.db2.gz GHHINTHBZNZVKA-CHWSQXEVSA-N 1 3 292.387 -0.064 20 0 CBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001550121845 923696732 /nfs/dbraw/zinc/69/67/32/923696732.db2.gz BDWAESAISJMJGY-YNEHKIRRSA-N 1 3 294.399 -0.450 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001550184540 923707581 /nfs/dbraw/zinc/70/75/81/923707581.db2.gz FBMGILUVHZCIFI-FDYHWXHSSA-N 1 3 285.388 -0.153 20 0 CBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001550184545 923708324 /nfs/dbraw/zinc/70/83/24/923708324.db2.gz FBMGILUVHZCIFI-UMSGYPCISA-N 1 3 285.388 -0.153 20 0 CBADHO Cn1cnc([C@@H]2CN(C(=O)[C@H](N)CC3CC3)C[C@H]2[NH3+])c1 ZINC001550196629 923709589 /nfs/dbraw/zinc/70/95/89/923709589.db2.gz YDFDGVREBFGLQL-IJLUTSLNSA-N 1 3 277.372 -0.199 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550206557 923711072 /nfs/dbraw/zinc/71/10/72/923711072.db2.gz VLXZCGDSHWLLJW-CYBMUJFWSA-N 1 3 296.415 -0.170 20 0 CBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001550204878 923711263 /nfs/dbraw/zinc/71/12/63/923711263.db2.gz UHIYGDYZGQPRHL-UHFFFAOYSA-N 1 3 294.399 -0.190 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCNC[C@H](O)C1 ZINC001550742849 923742745 /nfs/dbraw/zinc/74/27/45/923742745.db2.gz FGODZKXRDGTFDU-WDEREUQCSA-N 1 3 268.361 -0.753 20 0 CBADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCNC[C@H](O)C1 ZINC001550738820 923744130 /nfs/dbraw/zinc/74/41/30/923744130.db2.gz CSOMUCOZJDIMOT-BFHYXJOUSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCNC[C@H](O)C1 ZINC001550738820 923744141 /nfs/dbraw/zinc/74/41/41/923744141.db2.gz CSOMUCOZJDIMOT-BFHYXJOUSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]21 ZINC001551586203 923803887 /nfs/dbraw/zinc/80/38/87/923803887.db2.gz MPLVUXAXVFEYGO-HXAKPFHISA-N 1 3 294.399 -0.427 20 0 CBADHO [NH3+][C@H]1CC12CCC(NC(=O)N1CCNC[C@H](O)C1)CC2 ZINC001551567652 923804297 /nfs/dbraw/zinc/80/42/97/923804297.db2.gz RWJXHTAWNPQTTH-ATJQQHLPSA-N 1 3 282.388 -0.378 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)NC2CC3(C[C@@H]3[NH3+])C2)CCO1 ZINC001551595539 923809435 /nfs/dbraw/zinc/80/94/35/923809435.db2.gz ULOMKGXNUBGJQQ-ATJQQHLPSA-N 1 3 282.388 -0.162 20 0 CBADHO O=C(NCCN1CCCCC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199475 923856930 /nfs/dbraw/zinc/85/69/30/923856930.db2.gz GEGTVIDYJZQSNP-TZMCWYRMSA-N 1 3 267.373 -0.176 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200971 923858841 /nfs/dbraw/zinc/85/88/41/923858841.db2.gz YGQIOHFZACCAAZ-IUODEOHRSA-N 1 3 297.399 -0.551 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[NH2+]CC2)n1 ZINC001552215172 923867714 /nfs/dbraw/zinc/86/77/14/923867714.db2.gz DPGKNLNLZPVPQC-SECBINFHSA-N 1 3 279.344 -0.353 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001552377200 923893303 /nfs/dbraw/zinc/89/33/03/923893303.db2.gz ZBPKVWIATWNPAT-IJLUTSLNSA-N 1 3 280.372 -0.854 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552840686 923921430 /nfs/dbraw/zinc/92/14/30/923921430.db2.gz AESCTCUROAMYQO-GVXVVHGQSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC001553404614 923977576 /nfs/dbraw/zinc/97/75/76/923977576.db2.gz AWUSKIYRIQOWQR-VOAKCMCISA-N 1 3 265.357 -0.188 20 0 CBADHO O=C(NCCN1CCCC1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553405763 923978536 /nfs/dbraw/zinc/97/85/36/923978536.db2.gz GXPYTEVVFXUFEP-SRVKXCTJSA-N 1 3 253.346 -0.282 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553409732 923985063 /nfs/dbraw/zinc/98/50/63/923985063.db2.gz KDYGCQNINNDUFF-IHRRRGAJSA-N 1 3 297.399 -0.267 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCN1 ZINC001553415671 923990653 /nfs/dbraw/zinc/99/06/53/923990653.db2.gz ZHOJNDLURUQONM-VWYCJHECSA-N 1 3 253.346 -0.284 20 0 CBADHO CN1CCC[C@H](NC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553440566 924000901 /nfs/dbraw/zinc/00/09/01/924000901.db2.gz WCELYFATYRVVLJ-FIQHERPVSA-N 1 3 252.362 -0.073 20 0 CBADHO O=C(NC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553489339 924006569 /nfs/dbraw/zinc/00/65/69/924006569.db2.gz DMNPNBBEZRKCLR-KBPBESRZSA-N 1 3 296.415 -0.021 20 0 CBADHO O=C(NC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553489342 924007146 /nfs/dbraw/zinc/00/71/46/924007146.db2.gz DMNPNBBEZRKCLR-KGLIPLIRSA-N 1 3 296.415 -0.021 20 0 CBADHO [NH3+][C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC001553497438 924012335 /nfs/dbraw/zinc/01/23/35/924012335.db2.gz PUUQNUWJTDJNMK-HZSPNIEDSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553500778 924012794 /nfs/dbraw/zinc/01/27/94/924012794.db2.gz GZSACTSGUOPQSM-ZDEQEGDKSA-N 1 3 284.404 -0.037 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553499392 924013475 /nfs/dbraw/zinc/01/34/75/924013475.db2.gz BCHDGNFCFQNKSG-RWMBFGLXSA-N 1 3 284.404 -0.036 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553506972 924016336 /nfs/dbraw/zinc/01/63/36/924016336.db2.gz OVUIJVLYETUSMF-AGIUHOORSA-N 1 3 282.388 -0.411 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553504957 924016909 /nfs/dbraw/zinc/01/69/09/924016909.db2.gz SYFWLYFFYPZGBH-JHJVBQTASA-N 1 3 284.404 -0.165 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553502030 924017720 /nfs/dbraw/zinc/01/77/20/924017720.db2.gz JJEBIGFWYKANAL-FRRDWIJNSA-N 1 3 282.388 -0.242 20 0 CBADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573322511 334927611 /nfs/dbraw/zinc/92/76/11/334927611.db2.gz HLTRVWDHKPIDSO-NXEZZACHSA-N 1 3 256.350 -0.963 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337413044 214065984 /nfs/dbraw/zinc/06/59/84/214065984.db2.gz ODIBBGVFLHVPFS-DGCLKSJQSA-N 1 3 272.393 -0.308 20 0 CBADHO COc1nc(NCCN(C)C)nc(NCC[NH+](C)C)n1 ZINC000271396519 230200715 /nfs/dbraw/zinc/20/07/15/230200715.db2.gz TVONPFOTSKDCET-UHFFFAOYSA-N 1 3 283.380 -0.173 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)CN1CCN(C)CC1 ZINC000337808544 214269732 /nfs/dbraw/zinc/26/97/32/214269732.db2.gz KTROCPHSLZQNCQ-MCIONIFRSA-N 1 3 298.431 -0.508 20 0 CBADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000337834258 214279755 /nfs/dbraw/zinc/27/97/55/214279755.db2.gz CHSGLRJWFUFIBZ-LBPRGKRZSA-N 1 3 255.362 -0.299 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000125715784 187197461 /nfs/dbraw/zinc/19/74/61/187197461.db2.gz MNMBRCQUBMAWIH-LBPRGKRZSA-N 1 3 256.394 -0.406 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419143934 290657343 /nfs/dbraw/zinc/65/73/43/290657343.db2.gz DUPJYUZGPMXGQU-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126288148 187230920 /nfs/dbraw/zinc/23/09/20/187230920.db2.gz HPNHYIRIURKXCX-YPMHNXCESA-N 1 3 286.420 -0.068 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+](C)C(C)C ZINC000126308047 187231700 /nfs/dbraw/zinc/23/17/00/187231700.db2.gz GYTBEAICIOZXJE-LBPRGKRZSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+](C)C(C)C ZINC000126308047 187231701 /nfs/dbraw/zinc/23/17/01/187231701.db2.gz GYTBEAICIOZXJE-LBPRGKRZSA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000126467236 187242418 /nfs/dbraw/zinc/24/24/18/187242418.db2.gz YEUSJNZYOABPKX-WZRBSPASSA-N 1 3 284.404 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000126467236 187242420 /nfs/dbraw/zinc/24/24/20/187242420.db2.gz YEUSJNZYOABPKX-WZRBSPASSA-N 1 3 284.404 -0.315 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000332305965 282252381 /nfs/dbraw/zinc/25/23/81/282252381.db2.gz IAFNSXWOTRYVNQ-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CN1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(C)CC3)C[C@@H]2C1 ZINC000366994591 529823666 /nfs/dbraw/zinc/82/36/66/529823666.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 1 3 280.416 -0.356 20 0 CBADHO CN1C[C@@H]2C[N@H+](CCC(=O)N3CCN(C)CC3)C[C@@H]2C1 ZINC000366994591 529823668 /nfs/dbraw/zinc/82/36/68/529823668.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 1 3 280.416 -0.356 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000366994591 529823670 /nfs/dbraw/zinc/82/36/70/529823670.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 1 3 280.416 -0.356 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000366994591 529823672 /nfs/dbraw/zinc/82/36/72/529823672.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 1 3 280.416 -0.356 20 0 CBADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1[nH]nc2c1CNCC2 ZINC000368377630 295710945 /nfs/dbraw/zinc/71/09/45/295710945.db2.gz NFJMQTCJDCMYDW-LLVKDONJSA-N 1 3 275.356 -0.073 20 0 CBADHO C[C@@H]1CCCCN1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535224 219118011 /nfs/dbraw/zinc/11/80/11/219118011.db2.gz DPBKMQWNIJGLFZ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1CCCCN1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535227 219118120 /nfs/dbraw/zinc/11/81/20/219118120.db2.gz DPBKMQWNIJGLFZ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351561546 219126305 /nfs/dbraw/zinc/12/63/05/219126305.db2.gz YYMLBDXWDKHBEI-RTXFEEFZSA-N 1 3 294.399 -0.547 20 0 CBADHO CCN1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351557936 219125112 /nfs/dbraw/zinc/12/51/12/219125112.db2.gz QMDKPSTVTPVRNU-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351569027 219129453 /nfs/dbraw/zinc/12/94/53/219129453.db2.gz NJRXRJWRYGYHOY-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)[C@H]1CCN(C2CC2)C1 ZINC000262067684 282398948 /nfs/dbraw/zinc/39/89/48/282398948.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)[C@H]1CCN(C2CC2)C1 ZINC000262067684 282398950 /nfs/dbraw/zinc/39/89/50/282398950.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(CCC(=O)N1CCNCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262067684 282398951 /nfs/dbraw/zinc/39/89/51/282398951.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(CCC(=O)N1CCNCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000262067684 282398952 /nfs/dbraw/zinc/39/89/52/282398952.db2.gz JQONSCFGSZNJQX-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCOCC2)C1 ZINC000351853185 219226324 /nfs/dbraw/zinc/22/63/24/219226324.db2.gz OERWMTWVSIMAIB-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO NC1(C(=O)N2CCC(O)(C[NH3+])CC2)CCCCC1 ZINC000576466543 335207762 /nfs/dbraw/zinc/20/77/62/335207762.db2.gz MRBRFSBIJVVLPJ-UHFFFAOYSA-N 1 3 255.362 -0.040 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352003375 219283928 /nfs/dbraw/zinc/28/39/28/219283928.db2.gz LQNBRIAGCWIJDJ-NSHDSACASA-N 1 3 272.393 -0.280 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000352003310 219283987 /nfs/dbraw/zinc/28/39/87/219283987.db2.gz LCFQWBFGBLVEKW-AAEUAGOBSA-N 1 3 286.420 -0.082 20 0 CBADHO CCC([NH3+])(CC)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352003374 219284798 /nfs/dbraw/zinc/28/47/98/219284798.db2.gz LQNBRIAGCWIJDJ-LLVKDONJSA-N 1 3 272.393 -0.280 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091300381 180127760 /nfs/dbraw/zinc/12/77/60/180127760.db2.gz WFNRVPCCBONVLC-WCQYABFASA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091300381 180127762 /nfs/dbraw/zinc/12/77/62/180127762.db2.gz WFNRVPCCBONVLC-WCQYABFASA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000091393953 180145660 /nfs/dbraw/zinc/14/56/60/180145660.db2.gz XKHNAUWUUKDNPJ-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000091393953 180145662 /nfs/dbraw/zinc/14/56/62/180145662.db2.gz XKHNAUWUUKDNPJ-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000091393953 180145663 /nfs/dbraw/zinc/14/56/63/180145663.db2.gz XKHNAUWUUKDNPJ-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000573842904 334970914 /nfs/dbraw/zinc/97/09/14/334970914.db2.gz CFKJCBLCXFUZPI-STQMWFEESA-N 1 3 268.405 -0.262 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000573842900 334970994 /nfs/dbraw/zinc/97/09/94/334970994.db2.gz CFKJCBLCXFUZPI-OLZOCXBDSA-N 1 3 268.405 -0.262 20 0 CBADHO CC(=O)N1CCN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000110649525 186309583 /nfs/dbraw/zinc/30/95/83/186309583.db2.gz OWOYOGWCKMBNKS-GFCCVEGCSA-N 1 3 296.415 -0.264 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H](C)N)N1CCN(C)CC1 ZINC000040770532 351417952 /nfs/dbraw/zinc/41/79/52/351417952.db2.gz GKNDJSKGRRQDLR-VXGBXAGGSA-N 1 3 256.394 -0.278 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H](C)[NH3+])N1CCN(C)CC1 ZINC000040770532 351417958 /nfs/dbraw/zinc/41/79/58/351417958.db2.gz GKNDJSKGRRQDLR-VXGBXAGGSA-N 1 3 256.394 -0.278 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000040808749 351419276 /nfs/dbraw/zinc/41/92/76/351419276.db2.gz GNTQRJNDLRSESO-CYBMUJFWSA-N 1 3 268.405 -0.260 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCn2cccn2)C1 ZINC000063179950 351580472 /nfs/dbraw/zinc/58/04/72/351580472.db2.gz NIYQAJDPOPOXMK-LBPRGKRZSA-N 1 3 265.361 -0.330 20 0 CBADHO CN1CC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000071184668 351643234 /nfs/dbraw/zinc/64/32/34/351643234.db2.gz GBKRXNILBLYZMU-WDEREUQCSA-N 1 3 268.361 -0.996 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)C1=O ZINC000077839323 351683657 /nfs/dbraw/zinc/68/36/57/351683657.db2.gz HPHLJAGOPOJAMB-GFCCVEGCSA-N 1 3 299.419 -0.648 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000091668071 351745402 /nfs/dbraw/zinc/74/54/02/351745402.db2.gz LITFGCKVBFJIQI-JHJVBQTASA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]1 ZINC000091668310 351746444 /nfs/dbraw/zinc/74/64/44/351746444.db2.gz PZKHANZTGZKQJC-WOPDTQHZSA-N 1 3 253.346 -0.282 20 0 CBADHO CNC(=O)NC(=O)CCN1CCC(OCCC[NH3+])CC1 ZINC000094072772 351763648 /nfs/dbraw/zinc/76/36/48/351763648.db2.gz ZMZPRIQVRSMWHM-UHFFFAOYSA-N 1 3 286.376 -0.338 20 0 CBADHO CN(C)C[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512078 351814050 /nfs/dbraw/zinc/81/40/50/351814050.db2.gz LLXOHUUJJMJTEH-LLVKDONJSA-N 1 3 268.361 -0.188 20 0 CBADHO CN(C)C[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000113512078 351814054 /nfs/dbraw/zinc/81/40/54/351814054.db2.gz LLXOHUUJJMJTEH-LLVKDONJSA-N 1 3 268.361 -0.188 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000133403641 351898673 /nfs/dbraw/zinc/89/86/73/351898673.db2.gz LSFXRJVXWRCPPJ-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000133404217 351898827 /nfs/dbraw/zinc/89/88/27/351898827.db2.gz LSFXRJVXWRCPPJ-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000133403998 351898949 /nfs/dbraw/zinc/89/89/49/351898949.db2.gz LSFXRJVXWRCPPJ-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](CNC(=O)NCC[NH+](C)C)CN1CCN(C)CC1 ZINC000133756456 351900682 /nfs/dbraw/zinc/90/06/82/351900682.db2.gz FGWWYYFGAMJTNL-CYBMUJFWSA-N 1 3 285.436 -0.269 20 0 CBADHO C[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000157309083 351955508 /nfs/dbraw/zinc/95/55/08/351955508.db2.gz XLYYMNIGQORCQE-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000157309083 351955509 /nfs/dbraw/zinc/95/55/09/351955509.db2.gz XLYYMNIGQORCQE-QWHCGFSZSA-N 1 3 268.405 -0.038 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC[NH3+] ZINC000160355148 351969888 /nfs/dbraw/zinc/96/98/88/351969888.db2.gz NUISBJLCRBCTAP-BREBYQMCSA-N 1 3 255.362 -0.016 20 0 CBADHO C[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167212516 351988664 /nfs/dbraw/zinc/98/86/64/351988664.db2.gz YDUYJYODIFSLOO-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000167407899 351989580 /nfs/dbraw/zinc/98/95/80/351989580.db2.gz RPGJUWOWTPEPQX-UHFFFAOYSA-N 1 3 280.372 -0.756 20 0 CBADHO C[NH+](C)C1CCN(CCNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000178831056 352083652 /nfs/dbraw/zinc/08/36/52/352083652.db2.gz OOVSNIFJNUFONZ-CQSZACIVSA-N 1 3 286.395 -0.170 20 0 CBADHO [NH3+]CCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000178794755 352083779 /nfs/dbraw/zinc/08/37/79/352083779.db2.gz VZTWPBUARIMXCY-UHFFFAOYSA-N 1 3 255.362 -0.094 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000178877559 352084726 /nfs/dbraw/zinc/08/47/26/352084726.db2.gz RQMNTPSSCKZQRK-UONOGXRCSA-N 1 3 282.432 -0.014 20 0 CBADHO COCC(=O)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178957144 352086477 /nfs/dbraw/zinc/08/64/77/352086477.db2.gz LDHNYQWJWQTCGM-UHFFFAOYSA-N 1 3 255.362 -0.223 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000179303455 352089206 /nfs/dbraw/zinc/08/92/06/352089206.db2.gz NXPLZZAJEPBQLS-CYBMUJFWSA-N 1 3 268.405 -0.167 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286339 352150770 /nfs/dbraw/zinc/15/07/70/352150770.db2.gz NPUIOIFBDMZTIS-FZMZJTMJSA-N 1 3 287.404 -0.129 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000195236705 352223979 /nfs/dbraw/zinc/22/39/79/352223979.db2.gz ANZSVYKJLVMHCW-UPJWGTAASA-N 1 3 294.399 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QZDDKTLRIKJWID-SNVBAGLBSA-N 1 3 251.334 -0.007 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237137759 352299734 /nfs/dbraw/zinc/29/97/34/352299734.db2.gz TVKALNYNSVJGJU-ZDUSSCGKSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC1=O ZINC000237162560 352300197 /nfs/dbraw/zinc/30/01/97/352300197.db2.gz AGMPSHYLEIJVEF-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO COCC[NH2+]CCNC(=O)C[C@@H]1CSCCN1 ZINC000237283425 352303063 /nfs/dbraw/zinc/30/30/63/352303063.db2.gz SZPRNHHZSFSWKD-SNVBAGLBSA-N 1 3 261.391 -0.566 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)CN1 ZINC000237425391 352304970 /nfs/dbraw/zinc/30/49/70/352304970.db2.gz YFCDKAYNMWAHKE-WOPDTQHZSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@](C[NH3+])(NC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000237594195 352307401 /nfs/dbraw/zinc/30/74/01/352307401.db2.gz CQQADWJEPQVYRM-WCQYABFASA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCC[NH2+]C1 ZINC000237901698 352310802 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CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000263226944 352440276 /nfs/dbraw/zinc/44/02/76/352440276.db2.gz GSWMGCNXKOQNCA-OCCSQVGLSA-N 1 3 298.431 -0.066 20 0 CBADHO O[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000304786582 352747131 /nfs/dbraw/zinc/74/71/31/352747131.db2.gz IMNWMMGSUDJJFV-KBPBESRZSA-N 1 3 272.389 -0.084 20 0 CBADHO O[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](O)C2)C1 ZINC000304786582 352747135 /nfs/dbraw/zinc/74/71/35/352747135.db2.gz IMNWMMGSUDJJFV-KBPBESRZSA-N 1 3 272.389 -0.084 20 0 CBADHO CN(C)S(=O)(=O)CCN1CCC[C@@H](CC[NH3+])C1 ZINC000310133665 352758227 /nfs/dbraw/zinc/75/82/27/352758227.db2.gz IHWQBVNQFXIYIT-NSHDSACASA-N 1 3 263.407 -0.061 20 0 CBADHO Cn1nccc1CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311915483 352772553 /nfs/dbraw/zinc/77/25/53/352772553.db2.gz ARBZICVGCHGHKD-AWEZNQCLSA-N 1 3 263.389 -0.058 20 0 CBADHO C[NH+](C)CC1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000312150288 352774143 /nfs/dbraw/zinc/77/41/43/352774143.db2.gz WTUVLURDHDGKOL-HNNXBMFYSA-N 1 3 285.432 -0.047 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1[NH3+] ZINC000331515435 352920837 /nfs/dbraw/zinc/92/08/37/352920837.db2.gz BYBNPHBTVUOGFS-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000331523642 352921299 /nfs/dbraw/zinc/92/12/99/352921299.db2.gz RJOCHXRGCXVMLH-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332620040 352970295 /nfs/dbraw/zinc/97/02/95/352970295.db2.gz TYUYAQRXEJTZLR-FRRDWIJNSA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332196662 352939199 /nfs/dbraw/zinc/93/91/99/352939199.db2.gz CMZOTCSBBMUUSY-XQQFMLRXSA-N 1 3 294.399 -0.498 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332196658 352939210 /nfs/dbraw/zinc/93/92/10/352939210.db2.gz CMZOTCSBBMUUSY-UPJWGTAASA-N 1 3 294.399 -0.498 20 0 CBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332549179 352964625 /nfs/dbraw/zinc/96/46/25/352964625.db2.gz IKBBWAFGCNSWNR-AGIUHOORSA-N 1 3 294.399 -0.321 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332558550 352965665 /nfs/dbraw/zinc/96/56/65/352965665.db2.gz OTXXNJIJAZLICK-VXGBXAGGSA-N 1 3 280.372 -0.839 20 0 CBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332577639 352968099 /nfs/dbraw/zinc/96/80/99/352968099.db2.gz ADLJBUVWWGIKGP-QWHCGFSZSA-N 1 3 294.399 -0.367 20 0 CBADHO C[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332578333 352968349 /nfs/dbraw/zinc/96/83/49/352968349.db2.gz DOTHSFYGKVYILN-CYBMUJFWSA-N 1 3 294.399 -0.497 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333933178 353014588 /nfs/dbraw/zinc/01/45/88/353014588.db2.gz HLMQVDRPMIDCTD-UONOGXRCSA-N 1 3 295.431 -0.230 20 0 CBADHO CN1CC[C@]2(CC[N@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833575 353062347 /nfs/dbraw/zinc/06/23/47/353062347.db2.gz OQQRXYQRJMHMSC-AWEZNQCLSA-N 1 3 280.372 -0.044 20 0 CBADHO CN1CC[C@]2(CC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC000336833575 353062349 /nfs/dbraw/zinc/06/23/49/353062349.db2.gz OQQRXYQRJMHMSC-AWEZNQCLSA-N 1 3 280.372 -0.044 20 0 CBADHO CN1CCN(CCC[N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000336799443 353055149 /nfs/dbraw/zinc/05/51/49/353055149.db2.gz IOMZGVQXOWWHMO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CN1CCN(CCC[N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000336799443 353055151 /nfs/dbraw/zinc/05/51/51/353055151.db2.gz IOMZGVQXOWWHMO-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343080688 353251462 /nfs/dbraw/zinc/25/14/62/353251462.db2.gz FHADRPWXUVTLGV-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343324078 353267655 /nfs/dbraw/zinc/26/76/55/353267655.db2.gz PMJCIDPVVBPRDR-TZMCWYRMSA-N 1 3 278.400 -0.271 20 0 CBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343324078 353267658 /nfs/dbraw/zinc/26/76/58/353267658.db2.gz PMJCIDPVVBPRDR-TZMCWYRMSA-N 1 3 278.400 -0.271 20 0 CBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000156752276 188279952 /nfs/dbraw/zinc/27/99/52/188279952.db2.gz NOZYZSMMIIIDEG-VXGBXAGGSA-N 1 3 256.394 -0.277 20 0 CBADHO C[NH+](C)CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000345590025 353339864 /nfs/dbraw/zinc/33/98/64/353339864.db2.gz WJALGRQQCRFNIN-GFCCVEGCSA-N 1 3 254.378 -0.556 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@@H+]1C ZINC000348988511 353442987 /nfs/dbraw/zinc/44/29/87/353442987.db2.gz HXODRRVWEKSSTK-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@H+]1C ZINC000348988511 353442989 /nfs/dbraw/zinc/44/29/89/353442989.db2.gz HXODRRVWEKSSTK-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(CCOC1C[NH2+]C1)NCCCN1CCC(O)CC1 ZINC000349007010 353444904 /nfs/dbraw/zinc/44/49/04/353444904.db2.gz UVWFCEOCXSRAST-UHFFFAOYSA-N 1 3 285.388 -0.672 20 0 CBADHO COC[C@@]1(C(=O)NCCN2CCCC2)CC[NH2+]C1 ZINC000261567900 137693387 /nfs/dbraw/zinc/69/33/87/137693387.db2.gz IUZOMTUUSYECDV-CYBMUJFWSA-N 1 3 255.362 -0.176 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354702461 353579401 /nfs/dbraw/zinc/57/94/01/353579401.db2.gz YHDPSKXKILSDFQ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000354721021 353580356 /nfs/dbraw/zinc/58/03/56/353580356.db2.gz YDOLHFBTJIXITA-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354722127 353580571 /nfs/dbraw/zinc/58/05/71/353580571.db2.gz WTCBQUAZMPTNHY-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354739847 353582122 /nfs/dbraw/zinc/58/21/22/353582122.db2.gz SYQJCDPGHWYQIF-UHFFFAOYSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C[C@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000357249347 353601545 /nfs/dbraw/zinc/60/15/45/353601545.db2.gz SEIMIBBCWPACAT-KBPBESRZSA-N 1 3 298.431 -0.635 20 0 CBADHO COCC[NH+]1CCC(N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000358092018 353626302 /nfs/dbraw/zinc/62/63/02/353626302.db2.gz XROBROFBJNWYDW-GFCCVEGCSA-N 1 3 255.362 -0.083 20 0 CBADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357903379 353612914 /nfs/dbraw/zinc/61/29/14/353612914.db2.gz GGZBDJHIAUFOTE-ZIAGYGMSSA-N 1 3 299.415 -0.285 20 0 CBADHO CN(C)[C@]1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCSC1 ZINC000357927637 353614841 /nfs/dbraw/zinc/61/48/41/353614841.db2.gz LPBAGFVWOHHGKF-UMNHJUIQSA-N 1 3 273.402 -0.737 20 0 CBADHO C[C@@H](CC(N)=O)[NH2+]CCCN1CCCN(C)CC1 ZINC000361183400 353660534 /nfs/dbraw/zinc/66/05/34/353660534.db2.gz UVCWYXOIAAVCSF-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C1 ZINC000361710738 353663331 /nfs/dbraw/zinc/66/33/31/353663331.db2.gz LYIKCFLSELIPDW-UONOGXRCSA-N 1 3 280.416 -0.166 20 0 CBADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N(C)C ZINC000367376877 353681243 /nfs/dbraw/zinc/68/12/43/353681243.db2.gz DQBUZQQJPCKBRA-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO C[NH+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000372366726 353715420 /nfs/dbraw/zinc/71/54/20/353715420.db2.gz CBTSXUVMBRSOAC-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000372505861 353717706 /nfs/dbraw/zinc/71/77/06/353717706.db2.gz NEJOWYJTWXIPQL-OBJOEFQTSA-N 1 3 267.373 -0.177 20 0 CBADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376062484 353771449 /nfs/dbraw/zinc/77/14/49/353771449.db2.gz SCAABZLDWJBCRG-YNEHKIRRSA-N 1 3 268.405 -0.134 20 0 CBADHO COCCN(C)CCCNC(=O)NC(C)(C)C[NH3+] ZINC000417086885 353975678 /nfs/dbraw/zinc/97/56/78/353975678.db2.gz DGSRTMSBXUQQKN-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO COCC[NH2+]CCNC(=O)NC[C@H]1CCCN1C ZINC000417290047 353976820 /nfs/dbraw/zinc/97/68/20/353976820.db2.gz WKILPQSLVMZVLF-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000418418315 353997140 /nfs/dbraw/zinc/99/71/40/353997140.db2.gz WEPLRJVFXXRALB-QJPTWQEYSA-N 1 3 270.377 -0.209 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417443818 353977994 /nfs/dbraw/zinc/97/79/94/353977994.db2.gz AZZZUQNESUFRJH-NEPJUHHUSA-N 1 3 272.393 -0.057 20 0 CBADHO COCCN(C)CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417449405 353978063 /nfs/dbraw/zinc/97/80/63/353978063.db2.gz XWTLEEWAHSGQFG-LBPRGKRZSA-N 1 3 272.393 -0.137 20 0 CBADHO COCC[N@H+](C)CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417442540 353978067 /nfs/dbraw/zinc/97/80/67/353978067.db2.gz VAMXFOBKNDYTIY-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO COCC[N@@H+](C)CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417442540 353978068 /nfs/dbraw/zinc/97/80/68/353978068.db2.gz VAMXFOBKNDYTIY-RYUDHWBXSA-N 1 3 272.393 -0.044 20 0 CBADHO COCCN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000417715911 353982331 /nfs/dbraw/zinc/98/23/31/353982331.db2.gz TWYJNSPOWSIAJT-RYUDHWBXSA-N 1 3 270.377 -0.256 20 0 CBADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000417828024 353983932 /nfs/dbraw/zinc/98/39/32/353983932.db2.gz FAXRAHURRYYHTC-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)[C@@H](C)CN1 ZINC000418066681 353987482 /nfs/dbraw/zinc/98/74/82/353987482.db2.gz LSVJHWZVRZLENR-NEPJUHHUSA-N 1 3 272.393 -0.044 20 0 CBADHO C[NH2+]CCCNC(=O)N(CCOC)CCN(C)C ZINC000418277373 353989896 /nfs/dbraw/zinc/98/98/96/353989896.db2.gz ILYQYXGOHMJNHH-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)CN1 ZINC000418286187 353990115 /nfs/dbraw/zinc/99/01/15/353990115.db2.gz HHZYZRYYYRJMJV-CHWSQXEVSA-N 1 3 283.420 -0.327 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314589 353992881 /nfs/dbraw/zinc/99/28/81/353992881.db2.gz SIHZLIQCFHMWRU-UHFFFAOYSA-N 1 3 299.419 -0.469 20 0 CBADHO C[NH2+]CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418317906 353992920 /nfs/dbraw/zinc/99/29/20/353992920.db2.gz NRTZSDAOYPCODB-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[NH2+]CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418321309 353993856 /nfs/dbraw/zinc/99/38/56/353993856.db2.gz YPKNXYCPHFFZEJ-UHFFFAOYSA-N 1 3 299.419 -0.503 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328057 353993960 /nfs/dbraw/zinc/99/39/60/353993960.db2.gz AJXZSJWTUFHFLZ-STQMWFEESA-N 1 3 286.420 -0.012 20 0 CBADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CC[NH2+]C1 ZINC000418374688 353994987 /nfs/dbraw/zinc/99/49/87/353994987.db2.gz GYCTUIHGMHYVQN-NWDGAFQWSA-N 1 3 270.377 -0.506 20 0 CBADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418374364 353995230 /nfs/dbraw/zinc/99/52/30/353995230.db2.gz SJIKLWOLYCENSH-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419236394 354040361 /nfs/dbraw/zinc/04/03/61/354040361.db2.gz KMIGMHSVLHSTIR-UHFFFAOYSA-N 1 3 270.377 -0.687 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCC1 ZINC000419246763 354041717 /nfs/dbraw/zinc/04/17/17/354041717.db2.gz WJKDSLWRKDZMLR-NSHDSACASA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418490081 353999049 /nfs/dbraw/zinc/99/90/49/353999049.db2.gz MROUMBKYBNQVKL-QWHCGFSZSA-N 1 3 286.420 -0.027 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418490080 353999359 /nfs/dbraw/zinc/99/93/59/353999359.db2.gz MROUMBKYBNQVKL-OLZOCXBDSA-N 1 3 286.420 -0.027 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCCN1CCO ZINC000418514533 354001414 /nfs/dbraw/zinc/00/14/14/354001414.db2.gz ARJSOQZLYBWCDG-NEPJUHHUSA-N 1 3 272.393 -0.130 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418734391 354006328 /nfs/dbraw/zinc/00/63/28/354006328.db2.gz RYVUTCLEKYWUCU-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNc1ccncc1 ZINC000418704307 354006376 /nfs/dbraw/zinc/00/63/76/354006376.db2.gz RIFRPFHUSHXTCO-ZJUUUORDSA-N 1 3 251.334 -0.050 20 0 CBADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000418759566 354007005 /nfs/dbraw/zinc/00/70/05/354007005.db2.gz GLUGRRBEUHZSQW-GARJFASQSA-N 1 3 256.350 -0.633 20 0 CBADHO C[N@H+](CCCNC(=O)C(=O)NCCN)Cc1ccccc1 ZINC000418990040 354020525 /nfs/dbraw/zinc/02/05/25/354020525.db2.gz CJFMDAIJTNFWBL-UHFFFAOYSA-N 1 3 292.383 -0.300 20 0 CBADHO C[N@@H+](CCCNC(=O)C(=O)NCCN)Cc1ccccc1 ZINC000418990040 354020526 /nfs/dbraw/zinc/02/05/26/354020526.db2.gz CJFMDAIJTNFWBL-UHFFFAOYSA-N 1 3 292.383 -0.300 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419008188 354023096 /nfs/dbraw/zinc/02/30/96/354023096.db2.gz VAZKHQCDIGLNBZ-GFCCVEGCSA-N 1 3 284.404 -0.312 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419018325 354023692 /nfs/dbraw/zinc/02/36/92/354023692.db2.gz BWAHTNZIJWFIKK-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419021379 354024413 /nfs/dbraw/zinc/02/44/13/354024413.db2.gz GZWPTELUEWBBJI-YNEHKIRRSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419027306 354025529 /nfs/dbraw/zinc/02/55/29/354025529.db2.gz OMOPDNNSYBJPGW-UTUOFQBUSA-N 1 3 284.404 -0.456 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH3+] ZINC000419029677 354025613 /nfs/dbraw/zinc/02/56/13/354025613.db2.gz RTXLPUFYMNGGJM-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419034444 354026214 /nfs/dbraw/zinc/02/62/14/354026214.db2.gz ZNRKALYWULQLBQ-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419096697 354028623 /nfs/dbraw/zinc/02/86/23/354028623.db2.gz FBIOLWPGNQYMAH-PWSUYJOCSA-N 1 3 280.372 -0.983 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000419114929 354029945 /nfs/dbraw/zinc/02/99/45/354029945.db2.gz XOKADKDPGYARDW-CYBMUJFWSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419134655 354030745 /nfs/dbraw/zinc/03/07/45/354030745.db2.gz KMTCXBSKCIEIGJ-WDEREUQCSA-N 1 3 286.420 -0.068 20 0 CBADHO [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419224958 354039404 /nfs/dbraw/zinc/03/94/04/354039404.db2.gz GIJWIPNWDLUNIE-CYBMUJFWSA-N 1 3 296.415 -0.168 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419585696 354063523 /nfs/dbraw/zinc/06/35/23/354063523.db2.gz MAGXQZCAZKGGNK-QWRGUYRKSA-N 1 3 284.404 -0.443 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419585674 354063548 /nfs/dbraw/zinc/06/35/48/354063548.db2.gz LWBCQIWODZHVKK-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419578549 354063718 /nfs/dbraw/zinc/06/37/18/354063718.db2.gz FCGZJWOQENOMPR-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419585697 354063786 /nfs/dbraw/zinc/06/37/86/354063786.db2.gz MAGXQZCAZKGGNK-WDEREUQCSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419590904 354064886 /nfs/dbraw/zinc/06/48/86/354064886.db2.gz QUKZTBRORVYRGE-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419586300 354065159 /nfs/dbraw/zinc/06/51/59/354065159.db2.gz MTCCJHYHFBRRMK-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419596372 354065210 /nfs/dbraw/zinc/06/52/10/354065210.db2.gz YADWEWAPNASUBV-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419689195 354069737 /nfs/dbraw/zinc/06/97/37/354069737.db2.gz ACZVNMSKRSNIIM-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700067 354071493 /nfs/dbraw/zinc/07/14/93/354071493.db2.gz WYRNGJCJLRTULO-NEPJUHHUSA-N 1 3 296.415 -0.027 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419732369 354074019 /nfs/dbraw/zinc/07/40/19/354074019.db2.gz MJFJBCJZSNAEIO-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419736722 354074223 /nfs/dbraw/zinc/07/42/23/354074223.db2.gz RTVGYWDJUJKIES-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419740800 354074682 /nfs/dbraw/zinc/07/46/82/354074682.db2.gz YFFYHSLPLAMDCX-HNNXBMFYSA-N 1 3 296.415 -0.344 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419741289 354075184 /nfs/dbraw/zinc/07/51/84/354075184.db2.gz YYNCYPVGVMHWJP-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419770430 354076322 /nfs/dbraw/zinc/07/63/22/354076322.db2.gz FGPSUHHWHRKDKO-WDEREUQCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419785075 354077284 /nfs/dbraw/zinc/07/72/84/354077284.db2.gz YHBMNFHIWDOZPU-VXGBXAGGSA-N 1 3 298.431 -0.066 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419814163 354079356 /nfs/dbraw/zinc/07/93/56/354079356.db2.gz HXNFGTSZWSINGE-LBPRGKRZSA-N 1 3 282.388 -0.462 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838007 354082441 /nfs/dbraw/zinc/08/24/41/354082441.db2.gz DUSYNTNSJNCURI-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419846511 354084192 /nfs/dbraw/zinc/08/41/92/354084192.db2.gz QBDSWSHBWFEGTC-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419846722 354084241 /nfs/dbraw/zinc/08/42/41/354084241.db2.gz HQHIECDADLQTJP-UHFFFAOYSA-N 1 3 272.393 -0.489 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419849710 354084516 /nfs/dbraw/zinc/08/45/16/354084516.db2.gz ZHVHKGQJWYCHDT-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419292338 354044460 /nfs/dbraw/zinc/04/44/60/354044460.db2.gz YHAYUKWCMREOAV-LBPRGKRZSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419870767 354087283 /nfs/dbraw/zinc/08/72/83/354087283.db2.gz SKFKXJLJZQZEQI-GFCCVEGCSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419402632 354051338 /nfs/dbraw/zinc/05/13/38/354051338.db2.gz COUUKCLBNNUMLE-RYUDHWBXSA-N 1 3 282.388 -0.687 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419403092 354051501 /nfs/dbraw/zinc/05/15/01/354051501.db2.gz DJCHQPCXWWEOII-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419413093 354052600 /nfs/dbraw/zinc/05/26/00/354052600.db2.gz RPANLOUQGCZKOQ-LBPRGKRZSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419408446 354052663 /nfs/dbraw/zinc/05/26/63/354052663.db2.gz LOMFVMBRSVINMG-DGCLKSJQSA-N 1 3 296.415 -0.312 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419414701 354052670 /nfs/dbraw/zinc/05/26/70/354052670.db2.gz UHUMHCNVBODIOS-CYBMUJFWSA-N 1 3 296.415 -0.312 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419419574 354053354 /nfs/dbraw/zinc/05/33/54/354053354.db2.gz ZGLAOUNWYSKEEA-UHFFFAOYSA-N 1 3 296.415 -0.168 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419417169 354053510 /nfs/dbraw/zinc/05/35/10/354053510.db2.gz WYMYWCAGPIMEGW-JHJVBQTASA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419417179 354053568 /nfs/dbraw/zinc/05/35/68/354053568.db2.gz WZGYEXWAIDQEFB-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419419059 354053789 /nfs/dbraw/zinc/05/37/89/354053789.db2.gz YUKIQALSNYPOBH-ZDUSSCGKSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419415153 354053836 /nfs/dbraw/zinc/05/38/36/354053836.db2.gz UUBPQTGDRYARKM-GFCCVEGCSA-N 1 3 284.404 -0.455 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419428620 354054316 /nfs/dbraw/zinc/05/43/16/354054316.db2.gz TZQXYCLRDOEOOX-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419428617 354054378 /nfs/dbraw/zinc/05/43/78/354054378.db2.gz TZQXYCLRDOEOOX-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000419524146 354057211 /nfs/dbraw/zinc/05/72/11/354057211.db2.gz PGZUOFFKFOFPEQ-ZYHUDNBSSA-N 1 3 282.388 -0.608 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419524519 354058164 /nfs/dbraw/zinc/05/81/64/354058164.db2.gz PXLGORROQHOYSO-RYUDHWBXSA-N 1 3 286.420 -0.195 20 0 CBADHO CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1CC1 ZINC000419525213 354058366 /nfs/dbraw/zinc/05/83/66/354058366.db2.gz RCZDFQIULFOAQB-LBPRGKRZSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C1CC1 ZINC000419526492 354058593 /nfs/dbraw/zinc/05/85/93/354058593.db2.gz TYBXUERSPJXXQZ-LLVKDONJSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419529416 354058778 /nfs/dbraw/zinc/05/87/78/354058778.db2.gz XQHYSKJTLSOJSQ-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419883065 354088990 /nfs/dbraw/zinc/08/89/90/354088990.db2.gz YMHMBKAZBPXRIT-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000419897867 354091966 /nfs/dbraw/zinc/09/19/66/354091966.db2.gz WKBZBHDVWRZEFG-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939061 354094459 /nfs/dbraw/zinc/09/44/59/354094459.db2.gz QNGQRXRSIGNMDT-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419948670 354095414 /nfs/dbraw/zinc/09/54/14/354095414.db2.gz KLWYTKWGASYYNW-VXGBXAGGSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419954425 354096417 /nfs/dbraw/zinc/09/64/17/354096417.db2.gz LWVUNNXOQFLGBE-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953552 354096634 /nfs/dbraw/zinc/09/66/34/354096634.db2.gz PVXQWFIHTXCIAN-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000419974541 354099162 /nfs/dbraw/zinc/09/91/62/354099162.db2.gz JPWBYUMABXRXNM-XQQFMLRXSA-N 1 3 298.431 -0.197 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419978146 354099171 /nfs/dbraw/zinc/09/91/71/354099171.db2.gz NSWUPPYWHMKUGO-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000419978165 354099573 /nfs/dbraw/zinc/09/95/73/354099573.db2.gz NUVZWBIOISDFON-QJPTWQEYSA-N 1 3 284.404 -0.633 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420005456 354100886 /nfs/dbraw/zinc/10/08/86/354100886.db2.gz PJFMBCKERPPLFB-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419994712 354100971 /nfs/dbraw/zinc/10/09/71/354100971.db2.gz HFIVIJLYIKHDRQ-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000419996917 354101056 /nfs/dbraw/zinc/10/10/56/354101056.db2.gz OCWSSXUDIQXAKR-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420012508 354102002 /nfs/dbraw/zinc/10/20/02/354102002.db2.gz JLQMFIKPEVTQCO-LLVKDONJSA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420031000 354104458 /nfs/dbraw/zinc/10/44/58/354104458.db2.gz RBFBVJFEBBGWIM-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420070468 354107310 /nfs/dbraw/zinc/10/73/10/354107310.db2.gz CITZRNTVMSNPSX-UHFFFAOYSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000420109724 354109156 /nfs/dbraw/zinc/10/91/56/354109156.db2.gz DSXBQVFIEJZVFS-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000420149327 354112860 /nfs/dbraw/zinc/11/28/60/354112860.db2.gz VBLRUGPFNZZIAN-MNOVXSKESA-N 1 3 270.377 -0.879 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420299332 354121785 /nfs/dbraw/zinc/12/17/85/354121785.db2.gz ASOCNCZNIPNTCL-IHRRRGAJSA-N 1 3 280.416 -0.180 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420299331 354122001 /nfs/dbraw/zinc/12/20/01/354122001.db2.gz ASOCNCZNIPNTCL-BFHYXJOUSA-N 1 3 280.416 -0.180 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC(=O)N1CCNCC1 ZINC000420366288 354125249 /nfs/dbraw/zinc/12/52/49/354125249.db2.gz LZZNXXVSDZIPSS-YRGRVCCFSA-N 1 3 268.405 -0.216 20 0 CBADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000420366288 354125252 /nfs/dbraw/zinc/12/52/52/354125252.db2.gz LZZNXXVSDZIPSS-YRGRVCCFSA-N 1 3 268.405 -0.216 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398973 354126498 /nfs/dbraw/zinc/12/64/98/354126498.db2.gz HHVQUHWDNLEHDG-NEPJUHHUSA-N 1 3 285.388 -0.075 20 0 CBADHO COCCN(C)CCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423324245 354168669 /nfs/dbraw/zinc/16/86/69/354168669.db2.gz KJAVYCCFQYNPBV-CQSZACIVSA-N 1 3 287.404 -0.303 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000422044299 354142537 /nfs/dbraw/zinc/14/25/37/354142537.db2.gz XLPBOUBCFYIDJG-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000422044299 354142539 /nfs/dbraw/zinc/14/25/39/354142539.db2.gz XLPBOUBCFYIDJG-KBPBESRZSA-N 1 3 280.416 -0.071 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422268776 354144258 /nfs/dbraw/zinc/14/42/58/354144258.db2.gz KTQAJJRYCYBTQE-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1CCNC[C@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000422708316 354151198 /nfs/dbraw/zinc/15/11/98/354151198.db2.gz BOAHPLPKBFIMMW-CHWSQXEVSA-N 1 3 268.405 -0.262 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422977051 354159749 /nfs/dbraw/zinc/15/97/49/354159749.db2.gz WBCOCFUORWVVNV-NEPJUHHUSA-N 1 3 282.388 -0.608 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423063923 354161717 /nfs/dbraw/zinc/16/17/17/354161717.db2.gz PZSGJFAICYRPKQ-CHWSQXEVSA-N 1 3 298.431 -0.162 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623580 354185968 /nfs/dbraw/zinc/18/59/68/354185968.db2.gz OLWAIWGPLYGHOY-NSHDSACASA-N 1 3 270.377 -0.654 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423642772 354188551 /nfs/dbraw/zinc/18/85/51/354188551.db2.gz IMMODSFXCOCMMH-GFCCVEGCSA-N 1 3 282.388 -0.511 20 0 CBADHO CCCN(C(=O)C(=O)N(C)CCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000423659916 354189477 /nfs/dbraw/zinc/18/94/77/354189477.db2.gz IWVUGPLAQOGZFV-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H]1CN(C(=O)CCOC2CNC2)C[C@@]1(C)C[NH3+] ZINC000423977602 354205956 /nfs/dbraw/zinc/20/59/56/354205956.db2.gz WCYFYJUBXQNCQE-ZWNOBZJWSA-N 1 3 255.362 -0.192 20 0 CBADHO CN1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424129055 354209633 /nfs/dbraw/zinc/20/96/33/354209633.db2.gz FYWYXBUUNXUXMH-NWDGAFQWSA-N 1 3 292.387 -0.116 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424153403 354212343 /nfs/dbraw/zinc/21/23/43/354212343.db2.gz KYHVMMNKTHTKDY-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446362791 354286892 /nfs/dbraw/zinc/28/68/92/354286892.db2.gz IZMVHIBOWXYWSV-NWDGAFQWSA-N 1 3 272.368 -0.560 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000447436576 354298899 /nfs/dbraw/zinc/29/88/99/354298899.db2.gz ADOBDMVSULDHMT-ADEWGFFLSA-N 1 3 255.362 -0.051 20 0 CBADHO O=C(NCCC[NH+]1CCCC1)[C@H]1CN2CCN1CCC2 ZINC000448595396 354315826 /nfs/dbraw/zinc/31/58/26/354315826.db2.gz HLGFWTFLDPAKIM-CQSZACIVSA-N 1 3 280.416 -0.022 20 0 CBADHO C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@H](C)[NH3+] ZINC000449601668 354320650 /nfs/dbraw/zinc/32/06/50/354320650.db2.gz NNSPVJQFDGZYIK-AXFHLTTASA-N 1 3 270.377 -0.752 20 0 CBADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000459902591 354393372 /nfs/dbraw/zinc/39/33/72/354393372.db2.gz VZLNMZPPWCTDGV-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000459902591 354393376 /nfs/dbraw/zinc/39/33/76/354393376.db2.gz VZLNMZPPWCTDGV-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)[C@@]1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCSC1 ZINC000479285378 354407255 /nfs/dbraw/zinc/40/72/55/354407255.db2.gz LPBAGFVWOHHGKF-CKYFFXLPSA-N 1 3 273.402 -0.737 20 0 CBADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)CN1 ZINC000479279196 354407467 /nfs/dbraw/zinc/40/74/67/354407467.db2.gz IKENJHYZPILXDX-KXNHARMFSA-N 1 3 253.346 -0.548 20 0 CBADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)CN1 ZINC000479279196 354407469 /nfs/dbraw/zinc/40/74/69/354407469.db2.gz IKENJHYZPILXDX-KXNHARMFSA-N 1 3 253.346 -0.548 20 0 CBADHO COC(=O)NCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000493072143 354487514 /nfs/dbraw/zinc/48/75/14/354487514.db2.gz DQVNYGZYYBQSPM-UHFFFAOYSA-N 1 3 288.392 -0.316 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000516065942 354556668 /nfs/dbraw/zinc/55/66/68/354556668.db2.gz ZIYOWUFKUYUPJW-LLVKDONJSA-N 1 3 271.361 -0.321 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000515840050 354557204 /nfs/dbraw/zinc/55/72/04/354557204.db2.gz CKJCLFVSEKAWOX-RYUDHWBXSA-N 1 3 255.362 -0.192 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000521986558 354570431 /nfs/dbraw/zinc/57/04/31/354570431.db2.gz LNVUHBLYANQEMA-WDEREUQCSA-N 1 3 282.388 -0.689 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000547296320 354657759 /nfs/dbraw/zinc/65/77/59/354657759.db2.gz XIDABEJPAWDJOR-GUTXKFCHSA-N 1 3 296.415 -0.021 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000547296320 354657762 /nfs/dbraw/zinc/65/77/62/354657762.db2.gz XIDABEJPAWDJOR-GUTXKFCHSA-N 1 3 296.415 -0.021 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000556973637 354684471 /nfs/dbraw/zinc/68/44/71/354684471.db2.gz HDQDQGKWMVGSTJ-KBPBESRZSA-N 1 3 281.400 -0.006 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000563143355 354699267 /nfs/dbraw/zinc/69/92/67/354699267.db2.gz QVYAAFNAANUZCV-CHWSQXEVSA-N 1 3 286.347 -0.127 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@@](C)(CN)C2CC2)CC1 ZINC000563154376 354699951 /nfs/dbraw/zinc/69/99/51/354699951.db2.gz NGQYDFAZXYZMMI-AWEZNQCLSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CCN[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000563154376 354699952 /nfs/dbraw/zinc/69/99/52/354699952.db2.gz NGQYDFAZXYZMMI-AWEZNQCLSA-N 1 3 268.405 -0.133 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000563160529 354701098 /nfs/dbraw/zinc/70/10/98/354701098.db2.gz VKJGXWBXADEVLF-DYEKYZERSA-N 1 3 298.431 -0.116 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000563160529 354701100 /nfs/dbraw/zinc/70/11/00/354701100.db2.gz VKJGXWBXADEVLF-DYEKYZERSA-N 1 3 298.431 -0.116 20 0 CBADHO CN1CCC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563198270 354702104 /nfs/dbraw/zinc/70/21/04/354702104.db2.gz NEOXQXSRUSPDGZ-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000564733429 354715938 /nfs/dbraw/zinc/71/59/38/354715938.db2.gz RQKPQZAVCOUZSW-OLZOCXBDSA-N 1 3 255.362 -0.441 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000564733429 354715939 /nfs/dbraw/zinc/71/59/39/354715939.db2.gz RQKPQZAVCOUZSW-OLZOCXBDSA-N 1 3 255.362 -0.441 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000564733431 354715992 /nfs/dbraw/zinc/71/59/92/354715992.db2.gz RQKPQZAVCOUZSW-STQMWFEESA-N 1 3 255.362 -0.441 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000564733431 354715993 /nfs/dbraw/zinc/71/59/93/354715993.db2.gz RQKPQZAVCOUZSW-STQMWFEESA-N 1 3 255.362 -0.441 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932844 354720842 /nfs/dbraw/zinc/72/08/42/354720842.db2.gz JRWASVHVKJXRAG-KGLIPLIRSA-N 1 3 296.415 -0.739 20 0 CBADHO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000564932919 354721203 /nfs/dbraw/zinc/72/12/03/354721203.db2.gz AHFZJXZUFPVUFL-STQMWFEESA-N 1 3 280.416 -0.262 20 0 CBADHO C[C@H](C[NH3+])NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000564950355 354721922 /nfs/dbraw/zinc/72/19/22/354721922.db2.gz SMZZHJRFDQLRGC-ORXSELOVSA-N 1 3 255.362 -0.018 20 0 CBADHO C[C@@H](N)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564948714 354722162 /nfs/dbraw/zinc/72/21/62/354722162.db2.gz IRLKCOUIPSCJNB-ZJUUUORDSA-N 1 3 256.350 -0.820 20 0 CBADHO N[C@H]1C[C@@H]2C[N@H+](CC3CCOCC3)CCN2C1=O ZINC000565233704 354733883 /nfs/dbraw/zinc/73/38/83/354733883.db2.gz OXGCEKOEVFXQSS-NEPJUHHUSA-N 1 3 253.346 -0.343 20 0 CBADHO N[C@H]1C[C@@H]2C[N@@H+](CC3CCOCC3)CCN2C1=O ZINC000565233704 354733887 /nfs/dbraw/zinc/73/38/87/354733887.db2.gz OXGCEKOEVFXQSS-NEPJUHHUSA-N 1 3 253.346 -0.343 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000564989357 354724445 /nfs/dbraw/zinc/72/44/45/354724445.db2.gz MUISKBCAAAGCNT-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000564989356 354724550 /nfs/dbraw/zinc/72/45/50/354724550.db2.gz MUISKBCAAAGCNT-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3C[C@H](O)CN3)cc2C1 ZINC000564992733 354724795 /nfs/dbraw/zinc/72/47/95/354724795.db2.gz BLJUTUJXCZPNOX-XHVZSJERSA-N 1 3 276.340 -0.441 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000565775560 354745450 /nfs/dbraw/zinc/74/54/50/354745450.db2.gz YTRUONQMNOXDFZ-QWRGUYRKSA-N 1 3 274.386 -0.205 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930932 354748798 /nfs/dbraw/zinc/74/87/98/354748798.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930932 354748800 /nfs/dbraw/zinc/74/88/00/354748800.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000565930932 354748801 /nfs/dbraw/zinc/74/88/01/354748801.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000565930932 354748803 /nfs/dbraw/zinc/74/88/03/354748803.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 1 3 285.432 -0.047 20 0 CBADHO CN1CCC[C@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898280 354748954 /nfs/dbraw/zinc/74/89/54/354748954.db2.gz ZODJBQOZWUCBAJ-AWEZNQCLSA-N 1 3 280.372 -0.044 20 0 CBADHO CN1CCC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC000565898280 354748958 /nfs/dbraw/zinc/74/89/58/354748958.db2.gz ZODJBQOZWUCBAJ-AWEZNQCLSA-N 1 3 280.372 -0.044 20 0 CBADHO NC(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000566066981 354751560 /nfs/dbraw/zinc/75/15/60/354751560.db2.gz YCIZZJGSZBBLJD-BWZBUEFSSA-N 1 3 251.252 -0.056 20 0 CBADHO NC(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000566066982 354751721 /nfs/dbraw/zinc/75/17/21/354751721.db2.gz YCIZZJGSZBBLJD-GJMOJQLCSA-N 1 3 251.252 -0.056 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000567613897 354791796 /nfs/dbraw/zinc/79/17/96/354791796.db2.gz SSUNPSPVUAQLHY-LOWDOPEQSA-N 1 3 296.415 -0.077 20 0 CBADHO CNCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566677945 354772877 /nfs/dbraw/zinc/77/28/77/354772877.db2.gz ZSXFIONCWIVTPF-QMMMGPOBSA-N 1 3 268.283 -0.842 20 0 CBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000566797981 354775303 /nfs/dbraw/zinc/77/53/03/354775303.db2.gz UDYHHXROFUAJMS-UONOGXRCSA-N 1 3 268.357 -0.266 20 0 CBADHO CN(C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CC[NH2+]C1 ZINC000566796831 354775584 /nfs/dbraw/zinc/77/55/84/354775584.db2.gz OFXAYTQIUADPKP-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000567165741 354782514 /nfs/dbraw/zinc/78/25/14/354782514.db2.gz WSZIVWFIORPTDL-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000567262420 354783910 /nfs/dbraw/zinc/78/39/10/354783910.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000567262420 354783915 /nfs/dbraw/zinc/78/39/15/354783915.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO CC[C@@H](C)N(C)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000567262420 354783920 /nfs/dbraw/zinc/78/39/20/354783920.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 1 3 286.464 -0.085 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565256037 354735273 /nfs/dbraw/zinc/73/52/73/354735273.db2.gz YJZDVHOXOWJHJV-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565372379 354736827 /nfs/dbraw/zinc/73/68/27/354736827.db2.gz NYRUFJSQIDBOBQ-IVZWLZJFSA-N 1 3 268.361 -0.870 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000565471035 354738848 /nfs/dbraw/zinc/73/88/48/354738848.db2.gz JBKUQURKGFSBLH-LBPRGKRZSA-N 1 3 271.409 -0.341 20 0 CBADHO CC1CC[NH+](CCCCNC(=O)C(=O)NC2CNC2)CC1 ZINC000567573492 354790287 /nfs/dbraw/zinc/79/02/87/354790287.db2.gz GTZYODJMBBCARQ-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CC1CCN(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565727101 354744986 /nfs/dbraw/zinc/74/49/86/354744986.db2.gz CIVCFWNUCNHXJJ-OLZOCXBDSA-N 1 3 294.399 -0.511 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567814459 354798113 /nfs/dbraw/zinc/79/81/13/354798113.db2.gz ODMSCMCOUZIEIL-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO O=C(C[C@H]1CNCCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567814460 354798152 /nfs/dbraw/zinc/79/81/52/354798152.db2.gz ODMSCMCOUZIEIL-LBPRGKRZSA-N 1 3 267.373 -0.033 20 0 CBADHO CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@H](CN)C1 ZINC000567819850 354799007 /nfs/dbraw/zinc/79/90/07/354799007.db2.gz ALLJGSINVJMABF-CQSZACIVSA-N 1 3 291.399 -0.070 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567839313 354801022 /nfs/dbraw/zinc/80/10/22/354801022.db2.gz JJUFXCBKOUGWCA-UUIJZJDISA-N 1 3 297.399 -0.295 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567975352 354806919 /nfs/dbraw/zinc/80/69/19/354806919.db2.gz RHFLVSKMGCRNRA-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000567973975 354807244 /nfs/dbraw/zinc/80/72/44/354807244.db2.gz CRPUFNTYYUQARS-MVWJERBFSA-N 1 3 255.362 -0.038 20 0 CBADHO CN(C)CCn1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000568195664 354814369 /nfs/dbraw/zinc/81/43/69/354814369.db2.gz NILQGJXUFBCJPA-AWEZNQCLSA-N 1 3 297.403 -0.513 20 0 CBADHO CC(C)[C@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@@H](C)[NH3+] ZINC000568264722 354819471 /nfs/dbraw/zinc/81/94/71/354819471.db2.gz UEXDGHNPSKGZOF-ZJUUUORDSA-N 1 3 295.391 -0.228 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000568395853 354823677 /nfs/dbraw/zinc/82/36/77/354823677.db2.gz AJVMCWJBGPQFTP-AAEUAGOBSA-N 1 3 284.404 -0.408 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568392602 354823819 /nfs/dbraw/zinc/82/38/19/354823819.db2.gz MZPINPTYQXZYKN-NSHDSACASA-N 1 3 298.387 -0.481 20 0 CBADHO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000568392602 354823821 /nfs/dbraw/zinc/82/38/21/354823821.db2.gz MZPINPTYQXZYKN-NSHDSACASA-N 1 3 298.387 -0.481 20 0 CBADHO CNC(=O)NC(=O)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000568392602 354823822 /nfs/dbraw/zinc/82/38/22/354823822.db2.gz MZPINPTYQXZYKN-NSHDSACASA-N 1 3 298.387 -0.481 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000568527150 354826393 /nfs/dbraw/zinc/82/63/93/354826393.db2.gz QKCZNADIXDXYKV-GHMZBOCLSA-N 1 3 271.361 -0.181 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000568526332 354826700 /nfs/dbraw/zinc/82/67/00/354826700.db2.gz ALVKKSJVEJIYPR-AGIUHOORSA-N 1 3 296.415 -0.265 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567669687 354793791 /nfs/dbraw/zinc/79/37/91/354793791.db2.gz BCARUOGEWOBXLL-NSHDSACASA-N 1 3 279.344 -0.597 20 0 CBADHO C[NH2+]C[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000570716401 354867906 /nfs/dbraw/zinc/86/79/06/354867906.db2.gz JJZTWLLDYVJFEJ-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN(C)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570799288 354869722 /nfs/dbraw/zinc/86/97/22/354869722.db2.gz LGQDKBPYYXGIOE-GHMZBOCLSA-N 1 3 260.382 -0.010 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000571047363 354875946 /nfs/dbraw/zinc/87/59/46/354875946.db2.gz VAFLOCMOXHSTNJ-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569118216 354839138 /nfs/dbraw/zinc/83/91/38/354839138.db2.gz CXQKZALTJMMFOC-TXEJJXNPSA-N 1 3 255.362 -0.320 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000569220642 354840293 /nfs/dbraw/zinc/84/02/93/354840293.db2.gz ZXOYXZPMZKYADU-DCAQKATOSA-N 1 3 271.361 -0.147 20 0 CBADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000570395286 354860383 /nfs/dbraw/zinc/86/03/83/354860383.db2.gz JAQXIWGNTNWYFQ-CHWSQXEVSA-N 1 3 263.341 -0.167 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CCC(=O)OC ZINC000570449382 354862094 /nfs/dbraw/zinc/86/20/94/354862094.db2.gz ZSRPEMUZNXLPKY-UWVGGRQHSA-N 1 3 259.350 -0.099 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000570580763 354864788 /nfs/dbraw/zinc/86/47/88/354864788.db2.gz DHUCDPKPTTYQNL-RYUDHWBXSA-N 1 3 256.394 -0.264 20 0 CBADHO CN1CCC[C@H]1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572134354 354887349 /nfs/dbraw/zinc/88/73/49/354887349.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 1 3 269.393 -0.635 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572736047 354897177 /nfs/dbraw/zinc/89/71/77/354897177.db2.gz IORUWRVNXCEJRE-QNWHQSFQSA-N 1 3 294.399 -0.370 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572736047 354897178 /nfs/dbraw/zinc/89/71/78/354897178.db2.gz IORUWRVNXCEJRE-QNWHQSFQSA-N 1 3 294.399 -0.370 20 0 CBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000573108246 354904841 /nfs/dbraw/zinc/90/48/41/354904841.db2.gz XFZRXLMKHMTAED-OLZOCXBDSA-N 1 3 294.399 -0.367 20 0 CBADHO C(CN1CC[NH2+]CC1)N1CCC[C@H]1CN1CCOCC1 ZINC000573124005 354905735 /nfs/dbraw/zinc/90/57/35/354905735.db2.gz ROJPWFGDTYRDOI-HNNXBMFYSA-N 1 3 282.432 -0.312 20 0 CBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](COCCOC)C1 ZINC000573126260 354906102 /nfs/dbraw/zinc/90/61/02/354906102.db2.gz MOMTZZWQKLPUKI-OLZOCXBDSA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000573126260 354906107 /nfs/dbraw/zinc/90/61/07/354906107.db2.gz MOMTZZWQKLPUKI-OLZOCXBDSA-N 1 3 260.378 -0.058 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](COCCOC)C1 ZINC000573126260 354906110 /nfs/dbraw/zinc/90/61/10/354906110.db2.gz MOMTZZWQKLPUKI-OLZOCXBDSA-N 1 3 260.378 -0.058 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865978 354881938 /nfs/dbraw/zinc/88/19/38/354881938.db2.gz AMOFTWIKIHFXAB-ZJUUUORDSA-N 1 3 291.346 -0.732 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573723967 354919565 /nfs/dbraw/zinc/91/95/65/354919565.db2.gz JCRHQOGNYLBGNH-TUAOUCFPSA-N 1 3 284.404 -0.327 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000573819656 354921643 /nfs/dbraw/zinc/92/16/43/354921643.db2.gz CHUHKXMBTDSTNN-RYUDHWBXSA-N 1 3 269.393 -0.717 20 0 CBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000573942692 354925018 /nfs/dbraw/zinc/92/50/18/354925018.db2.gz HXERLNKTWFNDBK-CYBMUJFWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC[C@H](O)CN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000573954171 354925487 /nfs/dbraw/zinc/92/54/87/354925487.db2.gz XMIUNJGRUUNOLB-CVEARBPZSA-N 1 3 298.475 -0.084 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000574054907 354927772 /nfs/dbraw/zinc/92/77/72/354927772.db2.gz PBJXJEVGQZDCNO-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000579025980 354960836 /nfs/dbraw/zinc/96/08/36/354960836.db2.gz OOTQWHAXLCTXDH-MISXGVKJSA-N 1 3 280.372 -0.711 20 0 CBADHO C[C@@]1(C[NH3+])CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000578126930 354938957 /nfs/dbraw/zinc/93/89/57/354938957.db2.gz HXWXVQSDBLMICP-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO CCN1CCN(CCC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000578196517 354940918 /nfs/dbraw/zinc/94/09/18/354940918.db2.gz LEKIKHVWVDDFIV-AWEZNQCLSA-N 1 3 297.447 -0.966 20 0 CBADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[NH2+]C1 ZINC000579026263 354961318 /nfs/dbraw/zinc/96/13/18/354961318.db2.gz UPBVVNSRENSTFS-RYUDHWBXSA-N 1 3 270.377 -0.506 20 0 CBADHO NC[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000578986648 354959006 /nfs/dbraw/zinc/95/90/06/354959006.db2.gz MEWBAZQXTXUKQN-OLZOCXBDSA-N 1 3 263.341 -0.085 20 0 CBADHO NC[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000578986647 354959253 /nfs/dbraw/zinc/95/92/53/354959253.db2.gz MEWBAZQXTXUKQN-CHWSQXEVSA-N 1 3 263.341 -0.085 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)[C@H]2C1 ZINC000579105933 354962257 /nfs/dbraw/zinc/96/22/57/354962257.db2.gz KEBFAMPCMXKVPV-AGIUHOORSA-N 1 3 294.399 -0.593 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579109880 354962330 /nfs/dbraw/zinc/96/23/30/354962330.db2.gz SZNWUMKFJBIFFB-FRRDWIJNSA-N 1 3 294.399 -0.783 20 0 CBADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(C)CC1 ZINC000579122742 354963422 /nfs/dbraw/zinc/96/34/22/354963422.db2.gz KTXVMFDBACACNZ-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122742 354963423 /nfs/dbraw/zinc/96/34/23/354963423.db2.gz KTXVMFDBACACNZ-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000579122742 354963424 /nfs/dbraw/zinc/96/34/24/354963424.db2.gz KTXVMFDBACACNZ-STQMWFEESA-N 1 3 268.405 -0.180 20 0 CBADHO CN1CCN(CCCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000579235775 354965079 /nfs/dbraw/zinc/96/50/79/354965079.db2.gz GKSIGEAIPHNOFQ-UHFFFAOYSA-N 1 3 268.405 -0.131 20 0 CBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692529 354976585 /nfs/dbraw/zinc/97/65/85/354976585.db2.gz GAGOHXHEUXZHLD-ZYHUDNBSSA-N 1 3 280.372 -0.983 20 0 CBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CNC2)C1 ZINC000579692529 354976589 /nfs/dbraw/zinc/97/65/89/354976589.db2.gz GAGOHXHEUXZHLD-ZYHUDNBSSA-N 1 3 280.372 -0.983 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2C[NH2+]CCN2C)C1(C)C ZINC000581011442 355003342 /nfs/dbraw/zinc/00/33/42/355003342.db2.gz QRUNANVPLOZDAA-LALPHHSUSA-N 1 3 298.431 -0.461 20 0 CBADHO CC(C)[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580950043 355001747 /nfs/dbraw/zinc/00/17/47/355001747.db2.gz BQWYLYHEVUFNDY-NWDGAFQWSA-N 1 3 254.378 -0.524 20 0 CBADHO O=C(COC1CNC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584466948 355030251 /nfs/dbraw/zinc/03/02/51/355030251.db2.gz QWWDEAOMVFRCBJ-NSHDSACASA-N 1 3 253.346 -0.329 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031046 /nfs/dbraw/zinc/03/10/46/355031046.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 1 3 281.404 -0.493 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000584588895 355032706 /nfs/dbraw/zinc/03/27/06/355032706.db2.gz JVLXXOIXAWXKCE-LOWVWBTDSA-N 1 3 287.429 -0.083 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCNC(C)(C)C1 ZINC000584770530 355037691 /nfs/dbraw/zinc/03/76/91/355037691.db2.gz YKJGKWKEOGFSFJ-NSHDSACASA-N 1 3 269.393 -0.717 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000582242678 355012120 /nfs/dbraw/zinc/01/21/20/355012120.db2.gz MRXVEIWUBGGGOL-FOGDFJRCSA-N 1 3 270.377 -0.800 20 0 CBADHO COC[C@](C)(O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000583495417 355018011 /nfs/dbraw/zinc/01/80/11/355018011.db2.gz DJLQNVDCKFJQKA-QWHCGFSZSA-N 1 3 260.378 -0.181 20 0 CBADHO COC[C@](C)(O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000583495417 355018012 /nfs/dbraw/zinc/01/80/12/355018012.db2.gz DJLQNVDCKFJQKA-QWHCGFSZSA-N 1 3 260.378 -0.181 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000583997105 355027262 /nfs/dbraw/zinc/02/72/62/355027262.db2.gz UDLBHSADFDSIOE-NWDGAFQWSA-N 1 3 256.394 -0.134 20 0 CBADHO CN1CCC(N2CC[C@H]([NH2+]CCC(=O)NC(N)=O)C2)CC1 ZINC000591736963 355111958 /nfs/dbraw/zinc/11/19/58/355111958.db2.gz VXPKMLJZTOUNHZ-NSHDSACASA-N 1 3 297.403 -0.671 20 0 CBADHO CCC(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000590817501 355088985 /nfs/dbraw/zinc/08/89/85/355088985.db2.gz BHRQYCRGXVNDLR-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CCC(=O)OC ZINC000592474862 355156486 /nfs/dbraw/zinc/15/64/86/355156486.db2.gz HFVGCMJGFGPSIP-NXEZZACHSA-N 1 3 257.334 -0.523 20 0 CBADHO COC(=O)[C@H]1CNCCCN1CC[C@H]1CC[NH2+]C1 ZINC000592486518 355157008 /nfs/dbraw/zinc/15/70/08/355157008.db2.gz IEKJNECNHZQWRJ-VXGBXAGGSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593911951 355229317 /nfs/dbraw/zinc/22/93/17/355229317.db2.gz KNRMUKUPSUIGGU-MJVIPROJSA-N 1 3 283.372 -0.146 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000594186032 355237811 /nfs/dbraw/zinc/23/78/11/355237811.db2.gz IANHWVXDQHAVNQ-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000594186032 355237813 /nfs/dbraw/zinc/23/78/13/355237813.db2.gz IANHWVXDQHAVNQ-NWDGAFQWSA-N 1 3 255.362 -0.225 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419429048 295901710 /nfs/dbraw/zinc/90/17/10/295901710.db2.gz UKVUQCZSIVXCKA-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCC(=O)OC)C1 ZINC000595944528 355323979 /nfs/dbraw/zinc/32/39/79/355323979.db2.gz MDEGUYFSPSDXFE-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CCC(=O)OC)C1 ZINC000595944528 355323984 /nfs/dbraw/zinc/32/39/84/355323984.db2.gz MDEGUYFSPSDXFE-WDEREUQCSA-N 1 3 271.361 -0.133 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]1 ZINC000595264647 355276363 /nfs/dbraw/zinc/27/63/63/355276363.db2.gz DSNNNZZMXZPLMC-DDHJBXDOSA-N 1 3 295.387 -0.920 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000595267902 355277154 /nfs/dbraw/zinc/27/71/54/355277154.db2.gz PCUCCILNFKMYLG-SDDRHHMPSA-N 1 3 295.387 -0.918 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000595979118 355334041 /nfs/dbraw/zinc/33/40/41/355334041.db2.gz RBJXSPMHPJMPER-VWYCJHECSA-N 1 3 271.361 -0.147 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3(N)C2)C1=O ZINC000598680457 355450000 /nfs/dbraw/zinc/45/00/00/355450000.db2.gz BXJQKRVAHCETPT-XUJVJEKNSA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3(N)C2)C1=O ZINC000598680457 355450001 /nfs/dbraw/zinc/45/00/01/355450001.db2.gz BXJQKRVAHCETPT-XUJVJEKNSA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(N)C2)C1=O ZINC000598680456 355449922 /nfs/dbraw/zinc/44/99/22/355449922.db2.gz BXJQKRVAHCETPT-TYNCELHUSA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3(N)C2)C1=O ZINC000598680456 355449923 /nfs/dbraw/zinc/44/99/23/355449923.db2.gz BXJQKRVAHCETPT-TYNCELHUSA-N 1 3 295.383 -0.036 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000600711582 355562192 /nfs/dbraw/zinc/56/21/92/355562192.db2.gz SHMVUVLNZHPODJ-QWRGUYRKSA-N 1 3 271.361 -0.085 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000600711582 355562195 /nfs/dbraw/zinc/56/21/95/355562195.db2.gz SHMVUVLNZHPODJ-QWRGUYRKSA-N 1 3 271.361 -0.085 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000601325537 355585715 /nfs/dbraw/zinc/58/57/15/355585715.db2.gz KVCVBQRDIIJTDV-USZNOCQGSA-N 1 3 253.346 -0.345 20 0 CBADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000601325537 355585717 /nfs/dbraw/zinc/58/57/17/355585717.db2.gz KVCVBQRDIIJTDV-USZNOCQGSA-N 1 3 253.346 -0.345 20 0 CBADHO C[N@H+](CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)CC(C)(C)C ZINC000602523807 355657250 /nfs/dbraw/zinc/65/72/50/355657250.db2.gz IGEGCZURTXTLRE-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO C[N@@H+](CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)CC(C)(C)C ZINC000602523807 355657252 /nfs/dbraw/zinc/65/72/52/355657252.db2.gz IGEGCZURTXTLRE-VXGBXAGGSA-N 1 3 296.415 -0.265 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602551408 355660842 /nfs/dbraw/zinc/66/08/42/355660842.db2.gz CXNVLFAELANBAS-GUBZILKMSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602582868 355662607 /nfs/dbraw/zinc/66/26/07/355662607.db2.gz YIUQOVDZENVNLR-GHMZBOCLSA-N 1 3 271.361 -0.003 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601977744 355623987 /nfs/dbraw/zinc/62/39/87/355623987.db2.gz WDSWWOKWCQKEJU-HONMWMINSA-N 1 3 283.372 -0.275 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1C1CC1 ZINC000365103058 291077765 /nfs/dbraw/zinc/07/77/65/291077765.db2.gz AKAPOVFZMYPARN-LUTQBAROSA-N 1 3 253.346 -0.549 20 0 CBADHO CN1CCC(O)(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973503 355858412 /nfs/dbraw/zinc/85/84/12/355858412.db2.gz HHPPDKAMRCJEOB-LBPRGKRZSA-N 1 3 296.415 -0.116 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993571 355860036 /nfs/dbraw/zinc/86/00/36/355860036.db2.gz OUNTUYVMCDSQLP-MNOVXSKESA-N 1 3 268.361 -0.584 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000614851029 355991243 /nfs/dbraw/zinc/99/12/43/355991243.db2.gz DWNFSPPPHRLBFD-LBPRGKRZSA-N 1 3 257.378 -0.243 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614854793 355992009 /nfs/dbraw/zinc/99/20/09/355992009.db2.gz SJYICNHTJBHCSB-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614854793 355992013 /nfs/dbraw/zinc/99/20/13/355992013.db2.gz SJYICNHTJBHCSB-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614854792 355992647 /nfs/dbraw/zinc/99/26/47/355992647.db2.gz SJYICNHTJBHCSB-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614854792 355992650 /nfs/dbraw/zinc/99/26/50/355992650.db2.gz SJYICNHTJBHCSB-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000617752080 356154915 /nfs/dbraw/zinc/15/49/15/356154915.db2.gz JBCVQJAFNYEPTB-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cnnn1C ZINC000617502217 356139194 /nfs/dbraw/zinc/13/91/94/356139194.db2.gz HFMRWBJHMUMMJX-LBPRGKRZSA-N 1 3 296.419 -0.254 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cnnn1C ZINC000617502217 356139198 /nfs/dbraw/zinc/13/91/98/356139198.db2.gz HFMRWBJHMUMMJX-LBPRGKRZSA-N 1 3 296.419 -0.254 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000617506515 356139241 /nfs/dbraw/zinc/13/92/41/356139241.db2.gz QGXAJPKBFYTNHQ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000617506515 356139244 /nfs/dbraw/zinc/13/92/44/356139244.db2.gz QGXAJPKBFYTNHQ-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC000617503346 356139362 /nfs/dbraw/zinc/13/93/62/356139362.db2.gz FQBMJWJEIWVIPW-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC000617503346 356139366 /nfs/dbraw/zinc/13/93/66/356139366.db2.gz FQBMJWJEIWVIPW-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(=O)N1CC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617507476 356139537 /nfs/dbraw/zinc/13/95/37/356139537.db2.gz YJJNMFBEJQFQFN-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(=O)N1CC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617507476 356139540 /nfs/dbraw/zinc/13/95/40/356139540.db2.gz YJJNMFBEJQFQFN-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N1 ZINC000617502577 356139566 /nfs/dbraw/zinc/13/95/66/356139566.db2.gz UZYKCRGCYZTRLY-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N1 ZINC000617502577 356139568 /nfs/dbraw/zinc/13/95/68/356139568.db2.gz UZYKCRGCYZTRLY-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1COCCO1 ZINC000617504100 356139793 /nfs/dbraw/zinc/13/97/93/356139793.db2.gz HIAHZIAOZPKUBB-QWHCGFSZSA-N 1 3 287.404 -0.210 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1COCCO1 ZINC000617504100 356139795 /nfs/dbraw/zinc/13/97/95/356139795.db2.gz HIAHZIAOZPKUBB-QWHCGFSZSA-N 1 3 287.404 -0.210 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC[NH+](C)CC1 ZINC000618305830 356185589 /nfs/dbraw/zinc/18/55/89/356185589.db2.gz IWVORSLHMKRXMY-UHFFFAOYSA-N 1 3 298.431 -0.193 20 0 CBADHO CC(C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)S(C)(=O)=O ZINC000621694623 356280898 /nfs/dbraw/zinc/28/08/98/356280898.db2.gz JUZFDLUNKILLMR-YWVKMMECSA-N 1 3 260.359 -0.241 20 0 CBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@H]1CNCCO1)C2 ZINC000621684369 356280604 /nfs/dbraw/zinc/28/06/04/356280604.db2.gz LIMUDQPKBSKUIO-MDZLAQPJSA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+][C@]12CCC[C@H]1CN(CCC(=O)N1CCNCC1)C2 ZINC000621784307 356284484 /nfs/dbraw/zinc/28/44/84/356284484.db2.gz MTNPEGMWXYHPTC-JSGCOSHPSA-N 1 3 266.389 -0.379 20 0 CBADHO C[NH+](C)C1CC(NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000622009349 356298720 /nfs/dbraw/zinc/29/87/20/356298720.db2.gz SZAQAGAPCDXMPX-WXRRBKDZSA-N 1 3 266.389 -0.415 20 0 CBADHO C[NH+](C)[C@@H](CNc1nc(N)nc(N)n1)c1ccccc1 ZINC000623793822 356375590 /nfs/dbraw/zinc/37/55/90/356375590.db2.gz VLMLVJWUQDQPJC-JTQLQIEISA-N 1 3 273.344 -0.167 20 0 CBADHO CC1CC[NH+](CCCNc2nc(N)nc(N)n2)CC1 ZINC000623812626 356377107 /nfs/dbraw/zinc/37/71/07/356377107.db2.gz CJPPTDMNMTYZEQ-UHFFFAOYSA-N 1 3 265.365 -0.347 20 0 CBADHO C[C@H](CNc1nc(N)nc(N)n1)C[NH+]1CCCCC1 ZINC000623877750 356380021 /nfs/dbraw/zinc/38/00/21/356380021.db2.gz LHHLJULBIFGHJQ-SECBINFHSA-N 1 3 265.365 -0.347 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)c1nc(N)nc(N)n1 ZINC000623974423 356385086 /nfs/dbraw/zinc/38/50/86/356385086.db2.gz DYZDJYBXGASOJX-MRVPVSSYSA-N 1 3 251.338 -0.525 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc(N)nc(N)n1 ZINC000623974423 356385089 /nfs/dbraw/zinc/38/50/89/356385089.db2.gz DYZDJYBXGASOJX-MRVPVSSYSA-N 1 3 251.338 -0.525 20 0 CBADHO C[NH+](C)CCOC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623965790 356385189 /nfs/dbraw/zinc/38/51/89/356385189.db2.gz VJGWNDQCYHIINT-UHFFFAOYSA-N 1 3 281.364 -0.756 20 0 CBADHO C[C@H](Nc1nc(N)nc(N)n1)C(C)(C)C[NH+](C)C ZINC000623994241 356387168 /nfs/dbraw/zinc/38/71/68/356387168.db2.gz SZJGEXDIMILSAQ-ZETCQYMHSA-N 1 3 253.354 -0.493 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024284 356390824 /nfs/dbraw/zinc/39/08/24/356390824.db2.gz CENMGEMHCIFOAI-HTQZYQBOSA-N 1 3 251.338 -0.527 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)n1 ZINC000624024284 356390828 /nfs/dbraw/zinc/39/08/28/356390828.db2.gz CENMGEMHCIFOAI-HTQZYQBOSA-N 1 3 251.338 -0.527 20 0 CBADHO Nc1nc(N)nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624411319 356421023 /nfs/dbraw/zinc/42/10/23/356421023.db2.gz DTWOFSHDIRNGTR-SNVBAGLBSA-N 1 3 277.376 -0.347 20 0 CBADHO Nc1nc(N)nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624411319 356421024 /nfs/dbraw/zinc/42/10/24/356421024.db2.gz DTWOFSHDIRNGTR-SNVBAGLBSA-N 1 3 277.376 -0.347 20 0 CBADHO C[N@@H+]1CCC[C@@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624245435 356405791 /nfs/dbraw/zinc/40/57/91/356405791.db2.gz DFOCBZXKKNZBNT-GFCCVEGCSA-N 1 3 263.349 -0.381 20 0 CBADHO C[N@H+]1CCC[C@@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624245435 356405795 /nfs/dbraw/zinc/40/57/95/356405795.db2.gz DFOCBZXKKNZBNT-GFCCVEGCSA-N 1 3 263.349 -0.381 20 0 CBADHO CN(C)CCn1cc(NC(=O)N(C)CCOCC[NH3+])cn1 ZINC000625865398 356494412 /nfs/dbraw/zinc/49/44/12/356494412.db2.gz DWJGETQZYBOXKW-UHFFFAOYSA-N 1 3 298.391 -0.116 20 0 CBADHO CN1CCC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626946333 356558510 /nfs/dbraw/zinc/55/85/10/356558510.db2.gz XDVRQEAABZBGAL-LLVKDONJSA-N 1 3 258.366 -0.255 20 0 CBADHO CN(CCNC(=O)NC1(C[NH3+])CCOCC1)C1CC1 ZINC000626975945 356561504 /nfs/dbraw/zinc/56/15/04/356561504.db2.gz JYWUPGMZJAREMG-UHFFFAOYSA-N 1 3 270.377 -0.112 20 0 CBADHO CN(CCNC(=O)NCCOCCC[NH3+])C1CC1 ZINC000626975741 356561566 /nfs/dbraw/zinc/56/15/66/356561566.db2.gz CUOWBRWCKNABKA-UHFFFAOYSA-N 1 3 258.366 -0.255 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627130123 356588156 /nfs/dbraw/zinc/58/81/56/356588156.db2.gz JPPYCSLREKCGSQ-GFCCVEGCSA-N 1 3 284.404 -0.116 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000627171810 356593147 /nfs/dbraw/zinc/59/31/47/356593147.db2.gz IQEGDXQDDRDUIJ-CQSZACIVSA-N 1 3 284.404 -0.040 20 0 CBADHO CCN1CCCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627173534 356593821 /nfs/dbraw/zinc/59/38/21/356593821.db2.gz AGYSAAPMLJRPNB-UHFFFAOYSA-N 1 3 272.393 -0.040 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627083326 356578460 /nfs/dbraw/zinc/57/84/60/356578460.db2.gz QFWIXCRPZQVOHV-LLVKDONJSA-N 1 3 270.377 -0.194 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103447 356583675 /nfs/dbraw/zinc/58/36/75/356583675.db2.gz SDFGPGQJYUCBEL-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCO1 ZINC000627225707 356609962 /nfs/dbraw/zinc/60/99/62/356609962.db2.gz AYULDCRHBKZQEE-WOPDTQHZSA-N 1 3 270.377 -0.162 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000627242468 356610710 /nfs/dbraw/zinc/61/07/10/356610710.db2.gz RINCEOCCKIXXEB-UMNHJUIQSA-N 1 3 256.350 -0.897 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000627177418 356595623 /nfs/dbraw/zinc/59/56/23/356595623.db2.gz HRIYOSYGQSHECR-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204246 356604483 /nfs/dbraw/zinc/60/44/83/356604483.db2.gz CFJNOVKVVVXLFM-VXGBXAGGSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)N2CCOC3(CNC3)C2)C[NH2+]1 ZINC000627210986 356606077 /nfs/dbraw/zinc/60/60/77/356606077.db2.gz YUORTGATFPCLRQ-QWRGUYRKSA-N 1 3 268.361 -0.489 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)CCN ZINC000627365687 356633314 /nfs/dbraw/zinc/63/33/14/356633314.db2.gz WQFXRPDHWODWBP-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)CCN ZINC000627365687 356633317 /nfs/dbraw/zinc/63/33/17/356633317.db2.gz WQFXRPDHWODWBP-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000627372084 356634718 /nfs/dbraw/zinc/63/47/18/356634718.db2.gz BTIOMUWWSRAWTE-NXEZZACHSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC[N@@H+]1C ZINC000627270194 356618471 /nfs/dbraw/zinc/61/84/71/356618471.db2.gz DNEXGOQTTSIAGU-XJFOESAGSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC[N@H+]1C ZINC000627270194 356618474 /nfs/dbraw/zinc/61/84/74/356618474.db2.gz DNEXGOQTTSIAGU-XJFOESAGSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC[N@@H+]1C ZINC000627270195 356618744 /nfs/dbraw/zinc/61/87/44/356618744.db2.gz DNEXGOQTTSIAGU-YIYPIFLZSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC[N@H+]1C ZINC000627270195 356618746 /nfs/dbraw/zinc/61/87/46/356618746.db2.gz DNEXGOQTTSIAGU-YIYPIFLZSA-N 1 3 281.400 -0.006 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627295002 356621770 /nfs/dbraw/zinc/62/17/70/356621770.db2.gz RCORKTVHBINBHR-SDDRHHMPSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C1CC1 ZINC000627372409 356635333 /nfs/dbraw/zinc/63/53/33/356635333.db2.gz LLTGRLYDALVCEY-JBLDHEPKSA-N 1 3 282.388 -0.548 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000627305250 356623215 /nfs/dbraw/zinc/62/32/15/356623215.db2.gz RYLVCCKWHKDCNM-WRWGMCAJSA-N 1 3 282.388 -0.548 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000627305249 356623239 /nfs/dbraw/zinc/62/32/39/356623239.db2.gz RYLVCCKWHKDCNM-NOOOWODRSA-N 1 3 282.388 -0.548 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)C[NH2+]1 ZINC000627319019 356625672 /nfs/dbraw/zinc/62/56/72/356625672.db2.gz HRWAKTDDCKVMIN-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC)CC[NH3+])C1 ZINC000627428315 356645239 /nfs/dbraw/zinc/64/52/39/356645239.db2.gz BUXBXVNCZOYODQ-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627428414 356645283 /nfs/dbraw/zinc/64/52/83/356645283.db2.gz FBFYQHREDOBGPU-MNOVXSKESA-N 1 3 268.361 -0.935 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000627458471 356649151 /nfs/dbraw/zinc/64/91/51/356649151.db2.gz HFBJZTDAIJUINY-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000627456257 356649268 /nfs/dbraw/zinc/64/92/68/356649268.db2.gz GKCZGVQEEIWTGJ-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627389983 356636959 /nfs/dbraw/zinc/63/69/59/356636959.db2.gz XQDFVCJRMIGOAA-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN(CCN)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000627398740 356639132 /nfs/dbraw/zinc/63/91/32/356639132.db2.gz VRTGAXASWKQSTG-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504230 356660270 /nfs/dbraw/zinc/66/02/70/356660270.db2.gz CYHBSAKMVMQFSM-LLVKDONJSA-N 1 3 268.361 -0.981 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505372 356660942 /nfs/dbraw/zinc/66/09/42/356660942.db2.gz LEWNPXCXIJOLQY-LLVKDONJSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627478692 356654245 /nfs/dbraw/zinc/65/42/45/356654245.db2.gz QSHUKVFCFPDCJG-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502433 356659056 /nfs/dbraw/zinc/65/90/56/356659056.db2.gz WVFLRAOUCOMAQF-QWHCGFSZSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502156 356659312 /nfs/dbraw/zinc/65/93/12/356659312.db2.gz MKHXDRLDBWSBRN-SDDRHHMPSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000627503962 356659717 /nfs/dbraw/zinc/65/97/17/356659717.db2.gz MWJJPCOUFHHCEY-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000627503541 356659819 /nfs/dbraw/zinc/65/98/19/356659819.db2.gz QWWMRGPMAVMNQA-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)S(=O)(=O)CCN1CCC2(CC[NH2+]C2)CC1 ZINC000629531859 356776862 /nfs/dbraw/zinc/77/68/62/356776862.db2.gz AXXXUVFWABZKGM-UHFFFAOYSA-N 1 3 275.418 -0.047 20 0 CBADHO c1cnc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)nn1 ZINC000629552490 356778948 /nfs/dbraw/zinc/77/89/48/356778948.db2.gz KXLGGIWASQGYLW-GFCCVEGCSA-N 1 3 262.361 -0.007 20 0 CBADHO O=C1CCC(=O)N1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629561103 356779574 /nfs/dbraw/zinc/77/95/74/356779574.db2.gz PRUUFFHJTNBSLZ-LBPRGKRZSA-N 1 3 283.372 -0.428 20 0 CBADHO C[NH+]1CCC(CC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000629171526 356751187 /nfs/dbraw/zinc/75/11/87/356751187.db2.gz BNMROGGHFLXIKK-CYBMUJFWSA-N 1 3 269.389 -0.099 20 0 CBADHO CN1CCN(C(=O)CCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629566338 356780507 /nfs/dbraw/zinc/78/05/07/356780507.db2.gz YXCSVJSWLUWUII-AWEZNQCLSA-N 1 3 298.431 -0.803 20 0 CBADHO CN1CCN(C(=O)CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629566338 356780509 /nfs/dbraw/zinc/78/05/09/356780509.db2.gz YXCSVJSWLUWUII-AWEZNQCLSA-N 1 3 298.431 -0.803 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000629615185 356788015 /nfs/dbraw/zinc/78/80/15/356788015.db2.gz SGAFKGJNEJHBAV-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO O[C@H](C[NH2+]CCN1CC[C@H](O)C1)CN1CCCC1 ZINC000629617567 356788129 /nfs/dbraw/zinc/78/81/29/356788129.db2.gz MHMUBMLGJGHFEO-QWHCGFSZSA-N 1 3 257.378 -0.901 20 0 CBADHO O[C@@H](C[NH2+]CCN1CC[C@H](O)C1)CN1CCCC1 ZINC000629617568 356788305 /nfs/dbraw/zinc/78/83/05/356788305.db2.gz MHMUBMLGJGHFEO-STQMWFEESA-N 1 3 257.378 -0.901 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000629653102 356788938 /nfs/dbraw/zinc/78/89/38/356788938.db2.gz NBKFQMJAETVFQE-WPRPVWTQSA-N 1 3 251.334 -0.272 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000629795091 356794662 /nfs/dbraw/zinc/79/46/62/356794662.db2.gz GKHRBGHMWBUQKS-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000629799490 356795105 /nfs/dbraw/zinc/79/51/05/356795105.db2.gz HNGBRIPIHSNFLM-OLZOCXBDSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000629799490 356795108 /nfs/dbraw/zinc/79/51/08/356795108.db2.gz HNGBRIPIHSNFLM-OLZOCXBDSA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000629799492 356795677 /nfs/dbraw/zinc/79/56/77/356795677.db2.gz HNGBRIPIHSNFLM-STQMWFEESA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000629799492 356795678 /nfs/dbraw/zinc/79/56/78/356795678.db2.gz HNGBRIPIHSNFLM-STQMWFEESA-N 1 3 296.415 -0.264 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000629804873 356797400 /nfs/dbraw/zinc/79/74/00/356797400.db2.gz VXNAOHUGQZOJPZ-GFCCVEGCSA-N 1 3 284.404 -0.265 20 0 CBADHO CN(CCOCC[NH3+])CC(=O)NC1CCN(C2CC2)CC1 ZINC000629578587 356782454 /nfs/dbraw/zinc/78/24/54/356782454.db2.gz SKHRPFRLZHPJLE-UHFFFAOYSA-N 1 3 298.431 -0.364 20 0 CBADHO O=C1CCC[C@@H](C[NH2+]C[C@H](O)CN2CCCC2)N1 ZINC000629579433 356782581 /nfs/dbraw/zinc/78/25/81/356782581.db2.gz NHHVMZYKXJMGMB-RYUDHWBXSA-N 1 3 255.362 -0.299 20 0 CBADHO OC[C@H](CNC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000629583526 356783538 /nfs/dbraw/zinc/78/35/38/356783538.db2.gz BTYYEIGUDHFATK-MELADBBJSA-N 1 3 272.389 -0.322 20 0 CBADHO OC[C@H](CNC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000629583524 356784282 /nfs/dbraw/zinc/78/42/82/356784282.db2.gz BTYYEIGUDHFATK-HZSPNIEDSA-N 1 3 272.389 -0.322 20 0 CBADHO CNS(=O)(=O)C[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000629595709 356785156 /nfs/dbraw/zinc/78/51/56/356785156.db2.gz VINGYSBNAJCYJL-LLVKDONJSA-N 1 3 279.406 -0.777 20 0 CBADHO C[NH2+]C[C@H]1CCCN1S(=O)(=O)CCCN(C)C ZINC000631907063 356921326 /nfs/dbraw/zinc/92/13/26/356921326.db2.gz CFQYDWOQDJAUGH-LLVKDONJSA-N 1 3 263.407 -0.048 20 0 CBADHO C[C@H](C[NH3+])CNS(=O)(=O)CCCN1CCCC1 ZINC000631931978 356924953 /nfs/dbraw/zinc/92/49/53/356924953.db2.gz PFWNAWGCGXXUQL-LLVKDONJSA-N 1 3 263.407 -0.014 20 0 CBADHO COC[C@@]1(CNS(=O)(=O)CCCN(C)C)CCC[NH2+]1 ZINC000631936999 356928363 /nfs/dbraw/zinc/92/83/63/356928363.db2.gz QOCHRSIUNPVEML-LBPRGKRZSA-N 1 3 293.433 -0.374 20 0 CBADHO C[C@H](CCC[NH3+])NS(=O)(=O)CCCN(C)C ZINC000631939498 356928964 /nfs/dbraw/zinc/92/89/64/356928964.db2.gz BVRFJNBOBADQQO-SNVBAGLBSA-N 1 3 251.396 -0.015 20 0 CBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000631952244 356932941 /nfs/dbraw/zinc/93/29/41/356932941.db2.gz AWQQNSYOQLRWHP-GHMZBOCLSA-N 1 3 294.396 -0.714 20 0 CBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC(C)(C)C1 ZINC000631951958 356933163 /nfs/dbraw/zinc/93/31/63/356933163.db2.gz UNCDEYIJTXMFQH-UHFFFAOYSA-N 1 3 290.433 -0.401 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CCCN(C)C ZINC000631954458 356933684 /nfs/dbraw/zinc/93/36/84/356933684.db2.gz MFRFKLRQWPXIPT-WDEREUQCSA-N 1 3 263.407 -0.002 20 0 CBADHO CN(C)CCn1cc(C(=O)NCCOCC[NH+](C)C)cn1 ZINC000632317683 356972636 /nfs/dbraw/zinc/97/26/36/356972636.db2.gz ZBUARDXAJCKBHZ-UHFFFAOYSA-N 1 3 297.403 -0.247 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632878305 357029963 /nfs/dbraw/zinc/02/99/63/357029963.db2.gz OUZSTXYOGZYSOF-YPMHNXCESA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@H]1C[NH3+] ZINC000633078731 357041031 /nfs/dbraw/zinc/04/10/31/357041031.db2.gz OBWSHVGSDRFPKS-GHMZBOCLSA-N 1 3 270.377 -0.940 20 0 CBADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H](N2CCCC2)C1 ZINC000633083758 357041517 /nfs/dbraw/zinc/04/15/17/357041517.db2.gz ICMLMLBPUZMRBC-AVGNSLFASA-N 1 3 292.383 -0.744 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633103546 357045883 /nfs/dbraw/zinc/04/58/83/357045883.db2.gz PZCLUACPUKGMOF-XQQFMLRXSA-N 1 3 294.399 -0.500 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1C[NH3+] ZINC000633106789 357046883 /nfs/dbraw/zinc/04/68/83/357046883.db2.gz MQNWXXFQUNZDSJ-JHJVBQTASA-N 1 3 296.415 -0.408 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000633115905 357049380 /nfs/dbraw/zinc/04/93/80/357049380.db2.gz NCKUYPGNWNFTKC-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO COC1(C(=O)N2C[C@@H](C)NC[C@H]2C)CC[NH2+]CC1 ZINC000634275974 357114756 /nfs/dbraw/zinc/11/47/56/357114756.db2.gz RMBIGZFGTFVGST-GHMZBOCLSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1OCC[C@@H]1N)C2 ZINC000634740997 357131893 /nfs/dbraw/zinc/13/18/93/357131893.db2.gz OTTLBXDSJOCKMJ-JULQROHOSA-N 1 3 253.346 -0.439 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H]1CNCCO1)C2 ZINC000634750116 357132260 /nfs/dbraw/zinc/13/22/60/357132260.db2.gz NKPHKYDBDRHIKL-FPMFFAJLSA-N 1 3 267.373 -0.177 20 0 CBADHO CC(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)S(C)(=O)=O ZINC000634747873 357132269 /nfs/dbraw/zinc/13/22/69/357132269.db2.gz DCELGTQDUBQBDT-ZMLRMANQSA-N 1 3 274.386 -0.123 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCOC1CNC1)C2 ZINC000634744339 357132346 /nfs/dbraw/zinc/13/23/46/357132346.db2.gz VELCLBYARSZDPM-OKILXGFUSA-N 1 3 267.373 -0.177 20 0 CBADHO O=C(CCOC1CNC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768707 357134406 /nfs/dbraw/zinc/13/44/06/357134406.db2.gz VBMOVHINYIYSGN-MFKMUULPSA-N 1 3 253.346 -0.377 20 0 CBADHO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000634718842 357129126 /nfs/dbraw/zinc/12/91/26/357129126.db2.gz JZKVKZXJAWMHIE-ZNMIVQPWSA-N 1 3 286.416 -0.055 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735713 357130918 /nfs/dbraw/zinc/13/09/18/357130918.db2.gz OTXSFWRSHKITPS-RWMBFGLXSA-N 1 3 267.373 -0.238 20 0 CBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634735713 357130919 /nfs/dbraw/zinc/13/09/19/357130919.db2.gz OTXSFWRSHKITPS-RWMBFGLXSA-N 1 3 267.373 -0.238 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636291440 357277542 /nfs/dbraw/zinc/27/75/42/357277542.db2.gz KORUXUYCCISLCK-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636291440 357277546 /nfs/dbraw/zinc/27/75/46/357277546.db2.gz KORUXUYCCISLCK-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO COC[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCCCN1 ZINC000637822901 357371398 /nfs/dbraw/zinc/37/13/98/357371398.db2.gz OCKITUUFQMBBSW-DGCLKSJQSA-N 1 3 255.362 -0.048 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000637821876 357371604 /nfs/dbraw/zinc/37/16/04/357371604.db2.gz DVMQZORLBGLSMN-LBPRGKRZSA-N 1 3 273.377 -0.469 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000637824670 357371887 /nfs/dbraw/zinc/37/18/87/357371887.db2.gz OYVRTOISZJQJPL-YPMHNXCESA-N 1 3 291.355 -0.454 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859549 357378189 /nfs/dbraw/zinc/37/81/89/357378189.db2.gz MVOSKDVECZOCKS-NEPJUHHUSA-N 1 3 252.362 -0.756 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000637835059 357374157 /nfs/dbraw/zinc/37/41/57/357374157.db2.gz JPCJVVWYSCISDQ-KBPBESRZSA-N 1 3 296.415 -0.787 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000636907201 357311459 /nfs/dbraw/zinc/31/14/59/357311459.db2.gz LUXPAJSWVRIAQY-MBNYWOFBSA-N 1 3 296.415 -0.023 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000636907201 357311463 /nfs/dbraw/zinc/31/14/63/357311463.db2.gz LUXPAJSWVRIAQY-MBNYWOFBSA-N 1 3 296.415 -0.023 20 0 CBADHO COC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000637838088 357374939 /nfs/dbraw/zinc/37/49/39/357374939.db2.gz QQZIXENLMFRURG-YPMHNXCESA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000637840334 357375310 /nfs/dbraw/zinc/37/53/10/357375310.db2.gz FTNKCTYFIMFPJM-SNVBAGLBSA-N 1 3 253.350 -0.136 20 0 CBADHO COCCN(CCN(C)C)C(=O)NCC[NH2+]C1CC1 ZINC000637328697 357339240 /nfs/dbraw/zinc/33/92/40/357339240.db2.gz CTTLPAVXWMOBLR-UHFFFAOYSA-N 1 3 272.393 -0.042 20 0 CBADHO O=C(NCC[NH2+]C1CC1)N[C@H]1CCCN(CCCO)C1 ZINC000637347934 357339825 /nfs/dbraw/zinc/33/98/25/357339825.db2.gz NVCBHCGDBJPBID-ZDUSSCGKSA-N 1 3 284.404 -0.116 20 0 CBADHO CN(C)CCn1cc(C(=O)N[C@@H](C[NH3+])C2CC2)cn1 ZINC000637853853 357377310 /nfs/dbraw/zinc/37/73/10/357377310.db2.gz BEQMLYPCDZIGPR-LBPRGKRZSA-N 1 3 265.361 -0.088 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000637798366 357365035 /nfs/dbraw/zinc/36/50/35/357365035.db2.gz XECIXYMIQJVMQK-ZDUSSCGKSA-N 1 3 287.404 -0.079 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)CN1CC[NH2+]CC1 ZINC000637803746 357366271 /nfs/dbraw/zinc/36/62/71/357366271.db2.gz HXBIXWACQUJCNA-CYBMUJFWSA-N 1 3 292.383 -0.284 20 0 CBADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637800776 357366837 /nfs/dbraw/zinc/36/68/37/357366837.db2.gz DVMQZORLBGLSMN-GFCCVEGCSA-N 1 3 273.377 -0.469 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637806400 357367853 /nfs/dbraw/zinc/36/78/53/357367853.db2.gz RVBTTWBCXJVUBM-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO O=C(CN1CCNCC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000637807059 357367938 /nfs/dbraw/zinc/36/79/38/357367938.db2.gz QNIJLICDXMGRQC-UHFFFAOYSA-N 1 3 266.389 -0.365 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637806394 357367948 /nfs/dbraw/zinc/36/79/48/357367948.db2.gz RVBTTWBCXJVUBM-NEPJUHHUSA-N 1 3 254.378 -0.380 20 0 CBADHO COC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CCCCN1 ZINC000637809795 357367956 /nfs/dbraw/zinc/36/79/56/357367956.db2.gz AQMMZGFVMXQWRK-AWEZNQCLSA-N 1 3 284.404 -0.834 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234603 357441186 /nfs/dbraw/zinc/44/11/86/357441186.db2.gz OIHDINUTIILZJC-NTZNESFSSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638072083 357410563 /nfs/dbraw/zinc/41/05/63/357410563.db2.gz PUEUUELDRNRNOP-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638072083 357410567 /nfs/dbraw/zinc/41/05/67/357410567.db2.gz PUEUUELDRNRNOP-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO C[NH+]1CCC(CCNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638083097 357413755 /nfs/dbraw/zinc/41/37/55/357413755.db2.gz HMRSTIDOUKWEIL-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCNC(=O)[C@]1(C[NH3+])CCCOC1)C1CC1 ZINC000638085320 357413787 /nfs/dbraw/zinc/41/37/87/357413787.db2.gz XSYWGSIYWMOTQS-ZDUSSCGKSA-N 1 3 255.362 -0.048 20 0 CBADHO COCCN(C)CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638090925 357414770 /nfs/dbraw/zinc/41/47/70/357414770.db2.gz IWSNMZIWECFPPD-WCQYABFASA-N 1 3 273.377 -0.552 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638098003 357416057 /nfs/dbraw/zinc/41/60/57/357416057.db2.gz CIZQUTZHKUIURU-ZDUSSCGKSA-N 1 3 284.404 -0.881 20 0 CBADHO C[C@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1C1CC1 ZINC000638132257 357423319 /nfs/dbraw/zinc/42/33/19/357423319.db2.gz FXJJJCRNRYZQBD-FSZOTQKASA-N 1 3 253.346 -0.156 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCN(C)CC2)C1 ZINC000638137259 357423904 /nfs/dbraw/zinc/42/39/04/357423904.db2.gz SKYPZQKZDWDHPJ-ZFWWWQNUSA-N 1 3 298.431 -0.493 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638134735 357424477 /nfs/dbraw/zinc/42/44/77/357424477.db2.gz OIFVKIGMXNDBEA-PDEGPIFNSA-N 1 3 253.346 -0.299 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000638136812 357424487 /nfs/dbraw/zinc/42/44/87/357424487.db2.gz MXSMDMNMMGRYKY-OLZOCXBDSA-N 1 3 276.340 -0.154 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000638148059 357426069 /nfs/dbraw/zinc/42/60/69/357426069.db2.gz VGCXJEPIPPUBRT-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[NH2+]CCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000638148062 357426505 /nfs/dbraw/zinc/42/65/05/357426505.db2.gz VGCXJEPIPPUBRT-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+][C@H](CNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000638154821 357427462 /nfs/dbraw/zinc/42/74/62/357427462.db2.gz RHSWJNNTIWQZTI-UTUOFQBUSA-N 1 3 253.346 -0.297 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638153847 357427561 /nfs/dbraw/zinc/42/75/61/357427561.db2.gz YOIJKMRZSNRYEA-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO CC1(CNC(=O)CN2CCNCC2)CC[NH2+]CC1 ZINC000638162196 357428538 /nfs/dbraw/zinc/42/85/38/357428538.db2.gz FGKLTNPFKGRQGQ-UHFFFAOYSA-N 1 3 254.378 -0.603 20 0 CBADHO COC[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCCN1 ZINC000638173120 357431295 /nfs/dbraw/zinc/43/12/95/357431295.db2.gz SYIHSGCIYQZEPL-DGCLKSJQSA-N 1 3 271.361 -0.669 20 0 CBADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638171187 357431529 /nfs/dbraw/zinc/43/15/29/357431529.db2.gz PKICJPIUYPLKQQ-YPMHNXCESA-N 1 3 264.373 -0.091 20 0 CBADHO CC[C@H]1CN(C(=O)CN2CCNCC2)CC[C@H]1[NH3+] ZINC000638202714 357434106 /nfs/dbraw/zinc/43/41/06/357434106.db2.gz JECGMLSZIKGRMU-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638198941 357434250 /nfs/dbraw/zinc/43/42/50/357434250.db2.gz ACHNKEAYUIHRTD-RYUDHWBXSA-N 1 3 252.362 -0.898 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638198940 357434483 /nfs/dbraw/zinc/43/44/83/357434483.db2.gz ACHNKEAYUIHRTD-NWDGAFQWSA-N 1 3 252.362 -0.898 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CN)C1 ZINC000637866347 357379445 /nfs/dbraw/zinc/37/94/45/357379445.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 1 3 254.378 -0.571 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CN)C1 ZINC000637866347 357379447 /nfs/dbraw/zinc/37/94/47/357379447.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 1 3 254.378 -0.571 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CCO1 ZINC000637867157 357380067 /nfs/dbraw/zinc/38/00/67/357380067.db2.gz RXPCDJSAIVJYOF-ZDEQEGDKSA-N 1 3 283.372 -0.576 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000638572587 357495707 /nfs/dbraw/zinc/49/57/07/357495707.db2.gz PWRYVMQZDGOAOS-UMNHJUIQSA-N 1 3 270.377 -0.657 20 0 CBADHO C[NH2+]CCOCCNC(=O)C[C@@H]1CSCCN1 ZINC000638578376 357497368 /nfs/dbraw/zinc/49/73/68/357497368.db2.gz FDVIJLCCUCMYHK-SNVBAGLBSA-N 1 3 261.391 -0.566 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000638585963 357498984 /nfs/dbraw/zinc/49/89/84/357498984.db2.gz DDRBLNMEQGAMTN-LLVKDONJSA-N 1 3 259.350 -0.941 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)CC(F)F ZINC000638592908 357499545 /nfs/dbraw/zinc/49/95/45/357499545.db2.gz VEQRUIFWRSDTKW-MRVPVSSYSA-N 1 3 253.293 -0.337 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262798 357445113 /nfs/dbraw/zinc/44/51/13/357445113.db2.gz NTSGAVKHVCLAKV-KGLIPLIRSA-N 1 3 280.416 -0.260 20 0 CBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCOCCN(C)C)C1 ZINC000638290493 357451612 /nfs/dbraw/zinc/45/16/12/357451612.db2.gz HOOCEOOHUQNNIX-AAEUAGOBSA-N 1 3 273.377 -0.552 20 0 CBADHO C[C@H]1CCN(C(=O)CN2CCNCC2)C[C@@H]1C[NH3+] ZINC000638342216 357460534 /nfs/dbraw/zinc/46/05/34/357460534.db2.gz LRSCKRLDZSZKSP-RYUDHWBXSA-N 1 3 254.378 -0.665 20 0 CBADHO C[C@@H]1CCN(C(=O)CN2CCNCC2)C[C@H]1C[NH3+] ZINC000638342217 357460829 /nfs/dbraw/zinc/46/08/29/357460829.db2.gz LRSCKRLDZSZKSP-VXGBXAGGSA-N 1 3 254.378 -0.665 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCC1C[NH2+]C1 ZINC000638415489 357471924 /nfs/dbraw/zinc/47/19/24/357471924.db2.gz ZLQMZNVOFJXWGU-UHFFFAOYSA-N 1 3 284.404 -0.536 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638413646 357472217 /nfs/dbraw/zinc/47/22/17/357472217.db2.gz CESRQDXKEDOZMC-GFCCVEGCSA-N 1 3 282.388 -0.488 20 0 CBADHO C[NH+](C)CCC[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000638430766 357475116 /nfs/dbraw/zinc/47/51/16/357475116.db2.gz AZWJUOYCOHKICQ-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CN1CCNCC1)C2 ZINC000638442316 357477505 /nfs/dbraw/zinc/47/75/05/357477505.db2.gz RQZKSKMWHQUBOV-YPMHNXCESA-N 1 3 252.362 -0.769 20 0 CBADHO CC(C(=O)N[C@H]1CC[NH2+]C12CCC2)S(C)(=O)=O ZINC000638503393 357491004 /nfs/dbraw/zinc/49/10/04/357491004.db2.gz ICUZOPSMSVIPOP-BDAKNGLRSA-N 1 3 260.359 -0.180 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510656 357491805 /nfs/dbraw/zinc/49/18/05/357491805.db2.gz KHDDZPAOCRVSCV-VXGBXAGGSA-N 1 3 294.399 -0.273 20 0 CBADHO CCN(CC[NH3+])C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000638518785 357492862 /nfs/dbraw/zinc/49/28/62/357492862.db2.gz QBAFWHZRVFVQPU-NSHDSACASA-N 1 3 270.377 -0.796 20 0 CBADHO [NH3+]C1(CNC(=O)C[C@@H]2CSCCN2)CCOCC1 ZINC000638540278 357493349 /nfs/dbraw/zinc/49/33/49/357493349.db2.gz LZNCNYLYSDBIQX-SNVBAGLBSA-N 1 3 273.402 -0.294 20 0 CBADHO O=C(CN1CCNCC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638528711 357493588 /nfs/dbraw/zinc/49/35/88/357493588.db2.gz PEDZQDAKAXQTNQ-LSDHHAIUSA-N 1 3 288.395 -0.237 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)N(C)CCOCC[NH3+])C1(C)C ZINC000638674313 357519096 /nfs/dbraw/zinc/51/90/96/357519096.db2.gz IDDJBAVIHQUGRZ-FZMZJTMJSA-N 1 3 287.404 -0.047 20 0 CBADHO CO[C@@]1(C[NH2+]CC2(O)CCN(C)CC2)CCOC1 ZINC000638681121 357520879 /nfs/dbraw/zinc/52/08/79/357520879.db2.gz CTSIFZSSZDCFKR-CYBMUJFWSA-N 1 3 258.362 -0.162 20 0 CBADHO CN(CCOCC[NH3+])C(=O)[C@H](N)Cc1ccccc1 ZINC000638680509 357520889 /nfs/dbraw/zinc/52/08/89/357520889.db2.gz UQXMXKZNSJQRBG-CYBMUJFWSA-N 1 3 265.357 -0.010 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638764841 357527364 /nfs/dbraw/zinc/52/73/64/357527364.db2.gz BRYDNDRAZXWRGQ-QWHCGFSZSA-N 1 3 287.404 -0.162 20 0 CBADHO C[C@H](N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780557 357528306 /nfs/dbraw/zinc/52/83/06/357528306.db2.gz SJRHITMSLNROMZ-CMPLNLGQSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780558 357528356 /nfs/dbraw/zinc/52/83/56/357528356.db2.gz SJRHITMSLNROMZ-JQWIXIFHSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802326 357531690 /nfs/dbraw/zinc/53/16/90/357531690.db2.gz TUZYRNGAJNIIKY-FBKDDSFISA-N 1 3 267.373 -0.003 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC000638905084 357541799 /nfs/dbraw/zinc/54/17/99/357541799.db2.gz AKSFFADJKMBQNS-KGYLQXTDSA-N 1 3 292.387 -0.102 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000638905085 357541897 /nfs/dbraw/zinc/54/18/97/357541897.db2.gz AKSFFADJKMBQNS-RAIGVLPGSA-N 1 3 292.387 -0.102 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638933711 357546107 /nfs/dbraw/zinc/54/61/07/357546107.db2.gz ZDMZJLCCVQMHEX-QWHCGFSZSA-N 1 3 287.404 -0.081 20 0 CBADHO C[NH+](C)C[C@]1(O)CCCN(CC2(O)CCOCC2)C1 ZINC000639760985 357596431 /nfs/dbraw/zinc/59/64/31/357596431.db2.gz JUKFSRCDUVQXTC-CQSZACIVSA-N 1 3 272.389 -0.084 20 0 CBADHO COCC[N@H+](C)C[C@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222370 357681910 /nfs/dbraw/zinc/68/19/10/357681910.db2.gz KFUVACGCHXXUMO-ZDUSSCGKSA-N 1 3 285.392 -0.679 20 0 CBADHO COCC[N@@H+](C)C[C@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222370 357681911 /nfs/dbraw/zinc/68/19/11/357681911.db2.gz KFUVACGCHXXUMO-ZDUSSCGKSA-N 1 3 285.392 -0.679 20 0 CBADHO CN1CCN(C(=O)CCN[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641800845 357743302 /nfs/dbraw/zinc/74/33/02/357743302.db2.gz HEINCJWLTGMRBS-NEPJUHHUSA-N 1 3 268.405 -0.134 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@H]2C[C@@H](N)C2(C)C)CC1 ZINC000641800845 357743304 /nfs/dbraw/zinc/74/33/04/357743304.db2.gz HEINCJWLTGMRBS-NEPJUHHUSA-N 1 3 268.405 -0.134 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCC(=O)N1CCNCC1 ZINC000641802090 357744318 /nfs/dbraw/zinc/74/43/18/357744318.db2.gz HWMUYBRAZWIMPX-MNOVXSKESA-N 1 3 254.378 -0.476 20 0 CBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCNCC1 ZINC000641802090 357744321 /nfs/dbraw/zinc/74/43/21/357744321.db2.gz HWMUYBRAZWIMPX-MNOVXSKESA-N 1 3 254.378 -0.476 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH2+]C ZINC000642439310 357754286 /nfs/dbraw/zinc/75/42/86/357754286.db2.gz AYGHPFVADFQTLT-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642431209 357754505 /nfs/dbraw/zinc/75/45/05/357754505.db2.gz WOYZXRIWIZBLBO-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000642439530 357755026 /nfs/dbraw/zinc/75/50/26/357755026.db2.gz KYPIPZUOVIINMT-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642439835 357755460 /nfs/dbraw/zinc/75/54/60/357755460.db2.gz OVGAGTIEZKZDPE-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000642439403 357755721 /nfs/dbraw/zinc/75/57/21/357755721.db2.gz FTKWEIPOKSRMRO-QWHCGFSZSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000642698860 357758523 /nfs/dbraw/zinc/75/85/23/357758523.db2.gz XFOVJQFEMRCEGA-TXEJJXNPSA-N 1 3 294.399 -0.735 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000642732139 357760118 /nfs/dbraw/zinc/76/01/18/357760118.db2.gz FCCHEUXBPOHERP-QWRGUYRKSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000642773332 357761388 /nfs/dbraw/zinc/76/13/88/357761388.db2.gz QXISLXNUXZYIDN-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785779 357761995 /nfs/dbraw/zinc/76/19/95/357761995.db2.gz JPGZPRAGDRUCLL-CYBMUJFWSA-N 1 3 296.415 -0.297 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785656 357762031 /nfs/dbraw/zinc/76/20/31/357762031.db2.gz BWYCHDRDYUOSHP-CHWSQXEVSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642786017 357762150 /nfs/dbraw/zinc/76/21/50/357762150.db2.gz XFOIRNLKUPPLSV-QWHCGFSZSA-N 1 3 294.399 -0.593 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1[NH3+] ZINC000642785630 357762362 /nfs/dbraw/zinc/76/23/62/357762362.db2.gz AFGSBUURASPMGR-KGYLQXTDSA-N 1 3 294.399 -0.608 20 0 CBADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000642785845 357762746 /nfs/dbraw/zinc/76/27/46/357762746.db2.gz MSNWDOWVSBVUAS-STQMWFEESA-N 1 3 294.399 -0.560 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642801258 357763546 /nfs/dbraw/zinc/76/35/46/357763546.db2.gz SEAYVHQWEDWEFS-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642801257 357763774 /nfs/dbraw/zinc/76/37/74/357763774.db2.gz SEAYVHQWEDWEFS-GFCCVEGCSA-N 1 3 284.404 -0.297 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902393 357765318 /nfs/dbraw/zinc/76/53/18/357765318.db2.gz RJRSDQCCMNBHMZ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903644 357765827 /nfs/dbraw/zinc/76/58/27/357765827.db2.gz MROAWFAEISGABD-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000642909332 357767184 /nfs/dbraw/zinc/76/71/84/357767184.db2.gz KTRWIBOKFGAIFZ-UTUOFQBUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642911172 357768727 /nfs/dbraw/zinc/76/87/27/357768727.db2.gz XNQYTSOFVRRUQI-LLVKDONJSA-N 1 3 272.393 -0.504 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642910500 357768737 /nfs/dbraw/zinc/76/87/37/357768737.db2.gz HPSRGBCDOGEFAX-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000642917422 357769259 /nfs/dbraw/zinc/76/92/59/357769259.db2.gz ILYPFOHIIIKVME-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919109 357770335 /nfs/dbraw/zinc/77/03/35/357770335.db2.gz OMLCRHRVYPXTEM-CYBMUJFWSA-N 1 3 296.415 -0.204 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919125 357770429 /nfs/dbraw/zinc/77/04/29/357770429.db2.gz OZGBCWMISXHAQD-GFCCVEGCSA-N 1 3 282.388 -0.593 20 0 CBADHO [NH3+]C1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCC1 ZINC000642979361 357773706 /nfs/dbraw/zinc/77/37/06/357773706.db2.gz YPQYYOXGNBOENJ-LLVKDONJSA-N 1 3 280.372 -0.709 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000642961142 357773947 /nfs/dbraw/zinc/77/39/47/357773947.db2.gz QBTRAEBUKGVTOR-CHWSQXEVSA-N 1 3 296.415 -0.171 20 0 CBADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CN ZINC000643593262 357791311 /nfs/dbraw/zinc/79/13/11/357791311.db2.gz UCGJJUQLAFLICS-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000643592636 357791641 /nfs/dbraw/zinc/79/16/41/357791641.db2.gz RRPARDAHDQBPEV-NWDGAFQWSA-N 1 3 284.404 -0.219 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643471905 357784178 /nfs/dbraw/zinc/78/41/78/357784178.db2.gz PEKYGBXBDLMMQD-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@@H]2CCC[C@H]21 ZINC000643500302 357785768 /nfs/dbraw/zinc/78/57/68/357785768.db2.gz ABLSHPYCSJADGW-MELADBBJSA-N 1 3 280.416 -0.119 20 0 CBADHO C[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@@H]2CCC[C@H]21 ZINC000643500302 357785772 /nfs/dbraw/zinc/78/57/72/357785772.db2.gz ABLSHPYCSJADGW-MELADBBJSA-N 1 3 280.416 -0.119 20 0 CBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000643581022 357790159 /nfs/dbraw/zinc/79/01/59/357790159.db2.gz UYXJUSJDFYPWJG-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449694597 283334137 /nfs/dbraw/zinc/33/41/37/283334137.db2.gz HESYVUWBMHMJAG-CHWSQXEVSA-N 1 3 268.405 -0.119 20 0 CBADHO COCCNCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574085503 334991071 /nfs/dbraw/zinc/99/10/71/334991071.db2.gz CBNYDOZHIHYXGM-ZDUSSCGKSA-N 1 3 255.362 -0.176 20 0 CBADHO C[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184886 296014565 /nfs/dbraw/zinc/01/45/65/296014565.db2.gz KNASLZRKJKEMSK-NXEZZACHSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000340184886 296014569 /nfs/dbraw/zinc/01/45/69/296014569.db2.gz KNASLZRKJKEMSK-NXEZZACHSA-N 1 3 256.350 -0.963 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)[N@H+](C)C1CC1 ZINC000342092035 216215805 /nfs/dbraw/zinc/21/58/05/216215805.db2.gz VSNZSOFGDCVYMU-NSHDSACASA-N 1 3 284.404 -0.395 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)[N@@H+](C)C1CC1 ZINC000342092035 216215807 /nfs/dbraw/zinc/21/58/07/216215807.db2.gz VSNZSOFGDCVYMU-NSHDSACASA-N 1 3 284.404 -0.395 20 0 CBADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000226999785 296063886 /nfs/dbraw/zinc/06/38/86/296063886.db2.gz CJKWUIOLBDGFKV-XQQFMLRXSA-N 1 3 267.373 -0.204 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000574276341 335006071 /nfs/dbraw/zinc/00/60/71/335006071.db2.gz XLYMBOBXGFRHTL-RYUDHWBXSA-N 1 3 271.361 -0.750 20 0 CBADHO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583839 335222190 /nfs/dbraw/zinc/22/21/90/335222190.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@@H](O)CN[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583839 335222191 /nfs/dbraw/zinc/22/21/91/335222191.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583839 335222193 /nfs/dbraw/zinc/22/21/93/335222193.db2.gz FDSLCEYHOFJPKS-ZFWWWQNUSA-N 1 3 285.432 -0.122 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011641 /nfs/dbraw/zinc/01/16/41/335011641.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 1 3 285.432 -0.049 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011643 /nfs/dbraw/zinc/01/16/43/335011643.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 1 3 285.432 -0.049 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000574340141 335012437 /nfs/dbraw/zinc/01/24/37/335012437.db2.gz WFKVYGLXVOIFGR-KKOKHZNYSA-N 1 3 280.372 -0.855 20 0 CBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](N2CCCC2)C1 ZINC000037824273 296147804 /nfs/dbraw/zinc/14/78/04/296147804.db2.gz IEOVCMRUMLQUTG-RWMBFGLXSA-N 1 3 267.373 -0.204 20 0 CBADHO C[C@H]1CN(C)C[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000344303846 217141347 /nfs/dbraw/zinc/14/13/47/217141347.db2.gz CMOZOPWLCUBHFD-JKSUJKDBSA-N 1 3 298.475 -0.084 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125271684 372795874 /nfs/dbraw/zinc/79/58/74/372795874.db2.gz QDKZPOGPGPLFGO-AXFHLTTASA-N 1 3 268.361 -0.109 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000156977748 372808235 /nfs/dbraw/zinc/80/82/35/372808235.db2.gz CQXDTYHJPLNBMQ-NNYUYHANSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000157309244 372808982 /nfs/dbraw/zinc/80/89/82/372808982.db2.gz XLYYMNIGQORCQE-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000157309244 372808989 /nfs/dbraw/zinc/80/89/89/372808989.db2.gz XLYYMNIGQORCQE-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000158207157 372812852 /nfs/dbraw/zinc/81/28/52/372812852.db2.gz WPJFPYYDXSUODB-IUODEOHRSA-N 1 3 298.431 -0.114 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353446496 220089372 /nfs/dbraw/zinc/08/93/72/220089372.db2.gz JWPRCAGFIIARHT-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO CO[C@H](CN)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000353467311 220100663 /nfs/dbraw/zinc/10/06/63/220100663.db2.gz LJAHQIHRIIASRO-GFCCVEGCSA-N 1 3 255.362 -0.049 20 0 CBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](CN)OC ZINC000353463450 220097517 /nfs/dbraw/zinc/09/75/17/220097517.db2.gz VMKZGSCCTQVZBF-MNOVXSKESA-N 1 3 261.366 -0.567 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252866190 372898259 /nfs/dbraw/zinc/89/82/59/372898259.db2.gz QDKZPOGPGPLFGO-GARJFASQSA-N 1 3 268.361 -0.109 20 0 CBADHO CO[C@H](CN)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353505404 220124099 /nfs/dbraw/zinc/12/40/99/220124099.db2.gz DHZLVZVXXBMJJZ-GFCCVEGCSA-N 1 3 285.388 -0.279 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333370974 205263412 /nfs/dbraw/zinc/26/34/12/205263412.db2.gz MJWWUERTUUNDJR-ZMHPAJMFSA-N 1 3 264.373 -0.014 20 0 CBADHO CN(C(=O)NC[C@H]1CCCN1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947678 373014299 /nfs/dbraw/zinc/01/42/99/373014299.db2.gz VTBUKQHCOAKDML-VWYCJHECSA-N 1 3 256.350 -0.945 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342374999 373045777 /nfs/dbraw/zinc/04/57/77/373045777.db2.gz OFICRJFOHLLHPJ-NWDGAFQWSA-N 1 3 257.378 -0.122 20 0 CBADHO COCCN(C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342374999 373045786 /nfs/dbraw/zinc/04/57/86/373045786.db2.gz OFICRJFOHLLHPJ-NWDGAFQWSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000355250620 373123542 /nfs/dbraw/zinc/12/35/42/373123542.db2.gz DXFLKHJZILEJSB-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)C[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000353571135 220163914 /nfs/dbraw/zinc/16/39/14/220163914.db2.gz RBLYFPRIPXPNRI-NSHDSACASA-N 1 3 280.372 -0.533 20 0 CBADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000353571135 220163916 /nfs/dbraw/zinc/16/39/16/220163916.db2.gz RBLYFPRIPXPNRI-NSHDSACASA-N 1 3 280.372 -0.533 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000353582656 220172889 /nfs/dbraw/zinc/17/28/89/220172889.db2.gz RUWGWXFYLUGVQH-GFCCVEGCSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@@H]1COC[C@@H]1O ZINC000361328320 373277456 /nfs/dbraw/zinc/27/74/56/373277456.db2.gz KGKZKXPJBWXRRD-KGLIPLIRSA-N 1 3 271.405 -0.296 20 0 CBADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361554490 373306901 /nfs/dbraw/zinc/30/69/01/373306901.db2.gz TVIJKFNBDPJEOP-OAHLLOKOSA-N 1 3 296.415 -0.216 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000363738905 373506558 /nfs/dbraw/zinc/50/65/58/373506558.db2.gz IICOHXHVJMQKJX-DGCLKSJQSA-N 1 3 255.362 -0.320 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417436999 373628937 /nfs/dbraw/zinc/62/89/37/373628937.db2.gz GAUYMIZFVYIXDL-CHWSQXEVSA-N 1 3 284.404 -0.185 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419032395 373634962 /nfs/dbraw/zinc/63/49/62/373634962.db2.gz WMQLSZWONGXIHN-AGIUHOORSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419032400 373635121 /nfs/dbraw/zinc/63/51/21/373635121.db2.gz WMQLSZWONGXIHN-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419111645 373636012 /nfs/dbraw/zinc/63/60/12/373636012.db2.gz UGYDVRXLCSHCMT-AAEUAGOBSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419165024 373636082 /nfs/dbraw/zinc/63/60/82/373636082.db2.gz ZYHFMHXQZABCFQ-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419415535 373638740 /nfs/dbraw/zinc/63/87/40/373638740.db2.gz VDHCPDYSCYPKCP-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CNC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336592 373649221 /nfs/dbraw/zinc/64/92/21/373649221.db2.gz IXVYHFDFMLNHRN-GHMZBOCLSA-N 1 3 268.361 -0.237 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444168768 373683924 /nfs/dbraw/zinc/68/39/24/373683924.db2.gz JBIMCQATFQDNKX-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO COCCNCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000515059141 373774975 /nfs/dbraw/zinc/77/49/75/373774975.db2.gz BHIGWOPREBLNAX-NWDGAFQWSA-N 1 3 255.362 -0.273 20 0 CBADHO CC1CCN(C[C@H](O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000514670821 373759562 /nfs/dbraw/zinc/75/95/62/373759562.db2.gz KTQKSHHUOJARLJ-CHWSQXEVSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N(C)C ZINC000514727311 373763772 /nfs/dbraw/zinc/76/37/72/373763772.db2.gz SONHZIHYCUEVKT-UPJWGTAASA-N 1 3 296.415 -0.489 20 0 CBADHO CCN1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000514934384 373769352 /nfs/dbraw/zinc/76/93/52/373769352.db2.gz JLIAQUDCZIVZHA-UHFFFAOYSA-N 1 3 280.376 -0.159 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000520219125 373830790 /nfs/dbraw/zinc/83/07/90/373830790.db2.gz VREIQQGXYLICCJ-KGLIPLIRSA-N 1 3 276.384 -0.424 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@H](NC2(CO)CCCC2)C1=O ZINC000520604841 373832742 /nfs/dbraw/zinc/83/27/42/373832742.db2.gz ZLLIHOYDGSEYIN-LBPRGKRZSA-N 1 3 297.399 -0.040 20 0 CBADHO CN(C)CCOCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000520812652 373835198 /nfs/dbraw/zinc/83/51/98/373835198.db2.gz CBZGKMKBARBJSF-UHFFFAOYSA-N 1 3 298.387 -0.325 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000520841102 373836520 /nfs/dbraw/zinc/83/65/20/373836520.db2.gz DWBLAENATHWXES-NAKRPEOUSA-N 1 3 283.376 -0.934 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659028 373793331 /nfs/dbraw/zinc/79/33/31/373793331.db2.gz ANWUAZPBJGUNHI-YPMHNXCESA-N 1 3 257.378 -0.066 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659028 373793336 /nfs/dbraw/zinc/79/33/36/373793336.db2.gz ANWUAZPBJGUNHI-YPMHNXCESA-N 1 3 257.378 -0.066 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000515847947 373797480 /nfs/dbraw/zinc/79/74/80/373797480.db2.gz VGHAVYJVXOAPSE-WDEREUQCSA-N 1 3 271.361 -0.003 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000521646642 373848618 /nfs/dbraw/zinc/84/86/18/373848618.db2.gz WZZJOPWYBSIDBN-BJDJZHNGSA-N 1 3 280.372 -0.855 20 0 CBADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000529346328 374009239 /nfs/dbraw/zinc/00/92/39/374009239.db2.gz ZGMGWKRLIUAWKO-NEPJUHHUSA-N 1 3 270.377 -0.386 20 0 CBADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)nnn1C ZINC000530642128 374091785 /nfs/dbraw/zinc/09/17/85/374091785.db2.gz QNPKXUIRCZCNFD-UHFFFAOYSA-N 1 3 282.392 -0.311 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000563704916 374322979 /nfs/dbraw/zinc/32/29/79/374322979.db2.gz BEKUYXBKNHWFRS-VHSXEESVSA-N 1 3 266.349 -0.551 20 0 CBADHO COC[C@@]1(C(=O)N[C@@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000583262912 374357205 /nfs/dbraw/zinc/35/72/05/374357205.db2.gz UYEHQAIWQYDPMA-MWLCHTKSSA-N 1 3 277.315 -0.274 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000583264196 374359830 /nfs/dbraw/zinc/35/98/30/374359830.db2.gz GOQOLLZBQOMIKC-RKDXNWHRSA-N 1 3 259.350 -0.244 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@H]2CNCCO2)C1 ZINC000578069539 374351299 /nfs/dbraw/zinc/35/12/99/374351299.db2.gz IBUXUORHQWSAST-UTUOFQBUSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CCOC1CNC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145982 374493206 /nfs/dbraw/zinc/49/32/06/374493206.db2.gz XFLCFRZNJJOANI-NSHDSACASA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[NH2+]CCC1(F)F ZINC000644161136 374496941 /nfs/dbraw/zinc/49/69/41/374496941.db2.gz QKVQTTMSLMYOFK-DTWKUNHWSA-N 1 3 263.288 -0.664 20 0 CBADHO COCCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000644554024 374592438 /nfs/dbraw/zinc/59/24/38/374592438.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554024 374592442 /nfs/dbraw/zinc/59/24/42/374592442.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 1 3 271.405 -0.248 20 0 CBADHO COCCN1CC[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554024 374592445 /nfs/dbraw/zinc/59/24/45/374592445.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 1 3 271.405 -0.248 20 0 CBADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000644548884 374593415 /nfs/dbraw/zinc/59/34/15/374593415.db2.gz UHKGZQNYNMNYBY-HIFRSBDPSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@H](CN1CCN(C)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000644548884 374593418 /nfs/dbraw/zinc/59/34/18/374593418.db2.gz UHKGZQNYNMNYBY-HIFRSBDPSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@H](CN1CCN(C)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000644548884 374593421 /nfs/dbraw/zinc/59/34/21/374593421.db2.gz UHKGZQNYNMNYBY-HIFRSBDPSA-N 1 3 284.448 -0.333 20 0 CBADHO CN1CCC(N2CC[C@@H]([NH2+]CCC(N)=O)C2)CC1 ZINC000644561942 374595409 /nfs/dbraw/zinc/59/54/09/374595409.db2.gz JYWBYVZBPCAAPB-LLVKDONJSA-N 1 3 254.378 -0.380 20 0 CBADHO C[NH+](C)CCn1cc(NC(=O)C[C@@H]2CNCCO2)cn1 ZINC000645803352 374700231 /nfs/dbraw/zinc/70/02/31/374700231.db2.gz SRNPVEVMXOVMCE-GFCCVEGCSA-N 1 3 281.360 -0.238 20 0 CBADHO CN1CCC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645684677 374692217 /nfs/dbraw/zinc/69/22/17/374692217.db2.gz DGWFTLKNJORMQV-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO [NH3+]CCCn1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)nn1 ZINC000645953449 374717022 /nfs/dbraw/zinc/71/70/22/374717022.db2.gz UNLSQHXJVCWSOC-LBPRGKRZSA-N 1 3 292.387 -0.159 20 0 CBADHO COCCNCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645978114 374721468 /nfs/dbraw/zinc/72/14/68/374721468.db2.gz SEPFVSBMSBJIKZ-ZDUSSCGKSA-N 1 3 298.431 -0.493 20 0 CBADHO COCCNCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645978114 374721470 /nfs/dbraw/zinc/72/14/70/374721470.db2.gz SEPFVSBMSBJIKZ-ZDUSSCGKSA-N 1 3 298.431 -0.493 20 0 CBADHO CC(=O)NCCN(C)C/C=C\C[N@H+](C)CCNC(C)=O ZINC000646047161 374735015 /nfs/dbraw/zinc/73/50/15/374735015.db2.gz IBKJXJGXCRYERS-WAYWQWQTSA-N 1 3 284.404 -0.322 20 0 CBADHO CC(=O)NCCN(C)C/C=C\C[N@@H+](C)CCNC(C)=O ZINC000646047161 374735018 /nfs/dbraw/zinc/73/50/18/374735018.db2.gz IBKJXJGXCRYERS-WAYWQWQTSA-N 1 3 284.404 -0.322 20 0 CBADHO O=C(C[C@@H]1CCC[NH2+]1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803767 374816995 /nfs/dbraw/zinc/81/69/95/374816995.db2.gz PFSACXNKGHGCKD-VIFPVBQESA-N 1 3 279.348 -0.705 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)N2CCNCC2)CCO1 ZINC000646844027 374825277 /nfs/dbraw/zinc/82/52/77/374825277.db2.gz NXIAOELINUFKFR-NEPJUHHUSA-N 1 3 284.404 -0.755 20 0 CBADHO CC1(C)CN[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363888 374773589 /nfs/dbraw/zinc/77/35/89/374773589.db2.gz KCRCKGYLJKRKNX-NWDGAFQWSA-N 1 3 266.389 -0.510 20 0 CBADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000646408240 374776457 /nfs/dbraw/zinc/77/64/57/374776457.db2.gz VSVOZVMSNPQVGT-NEPJUHHUSA-N 1 3 282.388 -0.545 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000647080758 374880868 /nfs/dbraw/zinc/88/08/68/374880868.db2.gz KJGYMPXIAQZPAG-KBPBESRZSA-N 1 3 294.374 -0.112 20 0 CBADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CCNCC1 ZINC000647082842 374882683 /nfs/dbraw/zinc/88/26/83/374882683.db2.gz NUYKDXRTVHQLLU-RYUDHWBXSA-N 1 3 268.405 -0.086 20 0 CBADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000646918528 374841595 /nfs/dbraw/zinc/84/15/95/374841595.db2.gz YIOFQLCOINWEDO-MELADBBJSA-N 1 3 278.400 -0.461 20 0 CBADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000646918528 374841600 /nfs/dbraw/zinc/84/16/00/374841600.db2.gz YIOFQLCOINWEDO-MELADBBJSA-N 1 3 278.400 -0.461 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000646972132 374853874 /nfs/dbraw/zinc/85/38/74/374853874.db2.gz LZNACGSZBZJIBY-NXEZZACHSA-N 1 3 259.375 -0.732 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCO[C@H](C[NH3+])C2)C1(C)C ZINC000646972394 374854252 /nfs/dbraw/zinc/85/42/52/374854252.db2.gz VLJYLAMVHSWOKO-GYSYKLTISA-N 1 3 285.388 -0.295 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000646972135 374854462 /nfs/dbraw/zinc/85/44/62/374854462.db2.gz LZNACGSZBZJIBY-ZJUUUORDSA-N 1 3 259.375 -0.732 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC000646972396 374854895 /nfs/dbraw/zinc/85/48/95/374854895.db2.gz VLJYLAMVHSWOKO-MISXGVKJSA-N 1 3 285.388 -0.295 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000574569735 335030306 /nfs/dbraw/zinc/03/03/06/335030306.db2.gz ZVNIFKQMBDFPKH-HOSYDEDBSA-N 1 3 258.366 -0.522 20 0 CBADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574584331 335032011 /nfs/dbraw/zinc/03/20/11/335032011.db2.gz FWAXYHDULXIWTM-IJLUTSLNSA-N 1 3 297.403 -0.543 20 0 CBADHO C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000576634777 335228430 /nfs/dbraw/zinc/22/84/30/335228430.db2.gz HZBFJTWBSWQTIY-GRYCIOLGSA-N 1 3 255.362 -0.049 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574639018 335036199 /nfs/dbraw/zinc/03/61/99/335036199.db2.gz QIJIMVJJQRFRKV-RISCZKNCSA-N 1 3 283.372 -0.131 20 0 CBADHO [NH3+]CCOCCN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000357025514 248309504 /nfs/dbraw/zinc/30/95/04/248309504.db2.gz HKINLGVLGLYAQS-ZDUSSCGKSA-N 1 3 285.388 -0.468 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357229896 248336647 /nfs/dbraw/zinc/33/66/47/248336647.db2.gz WHIJOWCRNWPARA-NWDGAFQWSA-N 1 3 256.394 -0.277 20 0 CBADHO C[NH2+]CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000357248591 248340958 /nfs/dbraw/zinc/34/09/58/248340958.db2.gz QYMKVUSKXQZMNB-UHFFFAOYSA-N 1 3 282.388 -0.638 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419741748 284627592 /nfs/dbraw/zinc/62/75/92/284627592.db2.gz ZKTNNNYEBNTLJJ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419732941 284627137 /nfs/dbraw/zinc/62/71/37/284627137.db2.gz NFFDCZMIJYFGLI-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418954727 284702242 /nfs/dbraw/zinc/70/22/42/284702242.db2.gz XMUKQJXRXVZFTR-RYUDHWBXSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000347376686 218212429 /nfs/dbraw/zinc/21/24/29/218212429.db2.gz URASQTQWCVQHQR-GFCCVEGCSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000347376686 218212431 /nfs/dbraw/zinc/21/24/31/218212431.db2.gz URASQTQWCVQHQR-GFCCVEGCSA-N 1 3 284.404 -0.164 20 0 CBADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)CCN(C)C ZINC000350998405 284755942 /nfs/dbraw/zinc/75/59/42/284755942.db2.gz NFOOHHWGNDPWIM-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@@H]1CC2(CN1CCNS(C)(=O)=O)CC[NH2+]CC2 ZINC000331698113 296294434 /nfs/dbraw/zinc/29/44/34/296294434.db2.gz VEZMZOHHEDBWAG-LLVKDONJSA-N 1 3 275.418 0.000 20 0 CBADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000178994233 207427994 /nfs/dbraw/zinc/42/79/94/207427994.db2.gz SHEFWNOLZOTCOX-QWHCGFSZSA-N 1 3 296.415 -0.536 20 0 CBADHO C[NH2+][C@H](C)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418636486 207598767 /nfs/dbraw/zinc/59/87/67/207598767.db2.gz HLTRESZHOGCKRS-CHWSQXEVSA-N 1 3 286.420 -0.014 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419136745 207649600 /nfs/dbraw/zinc/64/96/00/207649600.db2.gz OAQVQAZRJZXJQB-JHJVBQTASA-N 1 3 296.415 -0.075 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423431074 207897920 /nfs/dbraw/zinc/89/79/20/207897920.db2.gz NJTODSPITPBGHC-GFCCVEGCSA-N 1 3 268.405 -0.262 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000428367382 208086165 /nfs/dbraw/zinc/08/61/65/208086165.db2.gz QPORLDSWOHVMDB-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H](C)N1 ZINC000429401828 208122650 /nfs/dbraw/zinc/12/26/50/208122650.db2.gz GJWPRVTWUUZURM-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO COCCNCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377807889 533027927 /nfs/dbraw/zinc/02/79/27/533027927.db2.gz UNVGLPYVPPYAQL-QWHCGFSZSA-N 1 3 269.389 -0.026 20 0 CBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCN2CCCC2=O)C1 ZINC000430621058 208168445 /nfs/dbraw/zinc/16/84/45/208168445.db2.gz CSYUTIZXFNBNPW-GFCCVEGCSA-N 1 3 282.388 -0.604 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)COC1CNC1 ZINC000430698098 208173187 /nfs/dbraw/zinc/17/31/87/208173187.db2.gz FNOFKIRRIXSJGI-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)COC1CNC1 ZINC000430698098 208173189 /nfs/dbraw/zinc/17/31/89/208173189.db2.gz FNOFKIRRIXSJGI-UHFFFAOYSA-N 1 3 259.350 -0.941 20 0 CBADHO COCCNCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132908357 285076025 /nfs/dbraw/zinc/07/60/25/285076025.db2.gz VBKNHXZWDMCLJG-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCNCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132908357 285076036 /nfs/dbraw/zinc/07/60/36/285076036.db2.gz VBKNHXZWDMCLJG-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000430751925 208177930 /nfs/dbraw/zinc/17/79/30/208177930.db2.gz DCBOCBZZCVWKKE-LLVKDONJSA-N 1 3 257.378 -0.195 20 0 CBADHO CNS(=O)(=O)CCCN1CCC([C@@H](C)[NH3+])CC1 ZINC000430926588 208192518 /nfs/dbraw/zinc/19/25/18/208192518.db2.gz ONMSYUUFGDMFOW-SNVBAGLBSA-N 1 3 263.407 -0.015 20 0 CBADHO COCCNCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418512671 285079172 /nfs/dbraw/zinc/07/91/72/285079172.db2.gz UGYHIBUXGKVSCV-AVGNSLFASA-N 1 3 284.404 -0.009 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000431002865 208194961 /nfs/dbraw/zinc/19/49/61/208194961.db2.gz CCLUYUCCHWPYCH-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO CCN1CCN(CCNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431011794 208198005 /nfs/dbraw/zinc/19/80/05/208198005.db2.gz VKUVYJZOPFROME-CQSZACIVSA-N 1 3 298.431 -0.491 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H]1CNCCO1 ZINC000431017348 208198379 /nfs/dbraw/zinc/19/83/79/208198379.db2.gz PUTKSEROVOFIJA-STQMWFEESA-N 1 3 287.404 -0.162 20 0 CBADHO C[NH2+]CCCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000431016946 208199613 /nfs/dbraw/zinc/19/96/13/208199613.db2.gz LWXLEGDHASDDAU-CYBMUJFWSA-N 1 3 270.421 -0.014 20 0 CBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CN)c1 ZINC000431060231 208201794 /nfs/dbraw/zinc/20/17/94/208201794.db2.gz RKQAZDKOWRPICB-UHFFFAOYSA-N 1 3 278.356 -0.447 20 0 CBADHO C[C@@H]1NCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000434668841 208264512 /nfs/dbraw/zinc/26/45/12/208264512.db2.gz DFPDTDGRGKBICF-SDDRHHMPSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@@H]([NH3+])CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000442657262 208357122 /nfs/dbraw/zinc/35/71/22/208357122.db2.gz HHBUVNMJTGIEGL-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C[C@H](C)[NH3+])CC1 ZINC000442643787 208357180 /nfs/dbraw/zinc/35/71/80/208357180.db2.gz ATYMFGDFEPEXBS-LBPRGKRZSA-N 1 3 256.394 -0.180 20 0 CBADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCOCC1 ZINC000442765393 208364644 /nfs/dbraw/zinc/36/46/44/208364644.db2.gz JLPXHNKAQGRYDQ-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765393 208364648 /nfs/dbraw/zinc/36/46/48/208364648.db2.gz JLPXHNKAQGRYDQ-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765393 208364652 /nfs/dbraw/zinc/36/46/52/208364652.db2.gz JLPXHNKAQGRYDQ-NEPJUHHUSA-N 1 3 255.362 -0.096 20 0 CBADHO CCS(=O)(=O)NCCN1CCC[C@@H](CC[NH3+])C1 ZINC000443059543 208377556 /nfs/dbraw/zinc/37/75/56/208377556.db2.gz MWUBLURVQAIMNE-NSHDSACASA-N 1 3 263.407 -0.014 20 0 CBADHO CCS(=O)(=O)NCCN1CCC[C@H](CC[NH3+])C1 ZINC000443059542 208378216 /nfs/dbraw/zinc/37/82/16/208378216.db2.gz MWUBLURVQAIMNE-LLVKDONJSA-N 1 3 263.407 -0.014 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000349935842 218955864 /nfs/dbraw/zinc/95/58/64/218955864.db2.gz KLYRXRLUCHQPSM-WDEREUQCSA-N 1 3 270.377 -0.750 20 0 CBADHO CCN1CCC(NC(=O)CN(C)[C@@H](C)C[NH3+])CC1 ZINC000430958458 285188488 /nfs/dbraw/zinc/18/84/88/285188488.db2.gz SNBKUDMHSAGBDT-NSHDSACASA-N 1 3 256.394 -0.134 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354702463 285256820 /nfs/dbraw/zinc/25/68/20/285256820.db2.gz YHDPSKXKILSDFQ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000354748045 220912374 /nfs/dbraw/zinc/91/23/74/220912374.db2.gz BAFRZHYHFQYGMG-GRYCIOLGSA-N 1 3 282.388 -0.547 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424159549 285335215 /nfs/dbraw/zinc/33/52/15/285335215.db2.gz VQKXTRNXEVGKPF-UTUOFQBUSA-N 1 3 254.378 -0.524 20 0 CBADHO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361814165 285342302 /nfs/dbraw/zinc/34/23/02/285342302.db2.gz NAYOPHSKVSKEQY-QJPTWQEYSA-N 1 3 270.377 -0.002 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000366557430 286307144 /nfs/dbraw/zinc/30/71/44/286307144.db2.gz SHEPWRQQNLOLIT-AHMQBVQWSA-N 1 3 267.373 -0.147 20 0 CBADHO CC(C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)S(C)(=O)=O ZINC000361107205 298179756 /nfs/dbraw/zinc/17/97/56/298179756.db2.gz JSIDOENSWVMNAB-FBIMIBRVSA-N 1 3 274.386 -0.076 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCNC(C)(C)C1 ZINC000418507713 292561372 /nfs/dbraw/zinc/56/13/72/292561372.db2.gz LIKOJSKNRFWCQK-UHFFFAOYSA-N 1 3 258.366 -0.384 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000662750472 413991641 /nfs/dbraw/zinc/99/16/41/413991641.db2.gz SOZQIRJSJYQNOG-WDEREUQCSA-N 1 3 291.355 -0.212 20 0 CBADHO N[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[C@H]1F ZINC000662748261 413992225 /nfs/dbraw/zinc/99/22/25/413992225.db2.gz NUPLWUXMCUQABG-IVZWLZJFSA-N 1 3 281.335 -0.002 20 0 CBADHO C[C@@H]1CCCN(C(=O)CCOC2CNC2)[C@H]1C[NH3+] ZINC000349026741 287328477 /nfs/dbraw/zinc/32/84/77/287328477.db2.gz KSKPWLHJHRGCGS-PWSUYJOCSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1CCCN(CCC(=O)N2CCNCC2)[C@H]1C[NH3+] ZINC000262103814 287346802 /nfs/dbraw/zinc/34/68/02/287346802.db2.gz MERKJTWECDXILX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)[C@H]1CN ZINC000262103814 287346803 /nfs/dbraw/zinc/34/68/03/287346803.db2.gz MERKJTWECDXILX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)[C@H]1CN ZINC000262103814 287346805 /nfs/dbraw/zinc/34/68/05/287346805.db2.gz MERKJTWECDXILX-OLZOCXBDSA-N 1 3 268.405 -0.133 20 0 CBADHO O=C(COC1CNC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000575180499 335076639 /nfs/dbraw/zinc/07/66/39/335076639.db2.gz YUSPBOTXWBHEBJ-NWDGAFQWSA-N 1 3 253.346 -0.521 20 0 CBADHO CN1CCN(CCCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000084184082 544430918 /nfs/dbraw/zinc/43/09/18/544430918.db2.gz ALCKYBWWNCZFNS-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000089701090 544437423 /nfs/dbraw/zinc/43/74/23/544437423.db2.gz NMLSEFGMWIRYLN-SNVBAGLBSA-N 1 3 266.349 -0.597 20 0 CBADHO CC[NH+]1CCC(NC(=O)COC2(C)CNC2)CC1 ZINC000098061557 544446905 /nfs/dbraw/zinc/44/69/05/544446905.db2.gz WPWTYOLWYONLPS-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CC1(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CNC1 ZINC000098061664 544447082 /nfs/dbraw/zinc/44/70/82/544447082.db2.gz CZFFAIIPLVWYIX-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO CC1(OCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CNC1 ZINC000098061664 544447085 /nfs/dbraw/zinc/44/70/85/544447085.db2.gz CZFFAIIPLVWYIX-NSHDSACASA-N 1 3 267.373 -0.035 20 0 CBADHO CC(C)NC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000228361351 544496795 /nfs/dbraw/zinc/49/67/95/544496795.db2.gz IZGDUIIDWTVREI-GFCCVEGCSA-N 1 3 257.378 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C ZINC000131970713 544459417 /nfs/dbraw/zinc/45/94/17/544459417.db2.gz QGALBYQVCLRGAK-OLZOCXBDSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)([NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236829614 544506101 /nfs/dbraw/zinc/50/61/01/544506101.db2.gz UFWRFTQMHKDDQA-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC[NH2+]C2CC2)CC1=O ZINC000237162066 544507676 /nfs/dbraw/zinc/50/76/76/544507676.db2.gz JQFRBINKOQWEGT-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CC[C@@H](C)[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236923321 544508496 /nfs/dbraw/zinc/50/84/96/544508496.db2.gz USEONNPRWQVPBT-NEPJUHHUSA-N 1 3 256.394 -0.229 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC[NH2+]C2CC2)CC1=O ZINC000237160565 544508762 /nfs/dbraw/zinc/50/87/62/544508762.db2.gz JQFRBINKOQWEGT-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO C[NH2+]CCC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000043605814 419429658 /nfs/dbraw/zinc/42/96/58/419429658.db2.gz BSWLMZAJLFMTTL-CYBMUJFWSA-N 1 3 270.421 -0.016 20 0 CBADHO C[C@@H](CNC(=O)CN1CCNCC1)C[NH+]1CCCC1 ZINC000062073794 419457853 /nfs/dbraw/zinc/45/78/53/419457853.db2.gz MSNBUCCYUNEALR-ZDUSSCGKSA-N 1 3 268.405 -0.260 20 0 CBADHO O[C@]12C[C@H]1CN(CCOCC[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723236 419523077 /nfs/dbraw/zinc/52/30/77/419523077.db2.gz WLGIHXZIZBREMJ-CAOSSQGBSA-N 1 3 296.411 -0.084 20 0 CBADHO O[C@]12C[C@H]1CN(CCOCC[N@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723236 419523084 /nfs/dbraw/zinc/52/30/84/419523084.db2.gz WLGIHXZIZBREMJ-CAOSSQGBSA-N 1 3 296.411 -0.084 20 0 CBADHO CN(C)C(=O)CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662147745 419550207 /nfs/dbraw/zinc/55/02/07/419550207.db2.gz FYZCSNZBGHOBRK-ZDUSSCGKSA-N 1 3 269.389 -0.004 20 0 CBADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256736 419562618 /nfs/dbraw/zinc/56/26/18/419562618.db2.gz YKIMSOXGUQRYRV-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662256736 419562621 /nfs/dbraw/zinc/56/26/21/419562621.db2.gz YKIMSOXGUQRYRV-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C1NCCN1[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253715 419564101 /nfs/dbraw/zinc/56/41/01/419564101.db2.gz JZTTVTJLKAPNFK-OLZOCXBDSA-N 1 3 294.399 -0.003 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[NH2+]CC1)N(C)C1CC1 ZINC000219963131 419564625 /nfs/dbraw/zinc/56/46/25/419564625.db2.gz FAQDHVRYAPXYRM-NSHDSACASA-N 1 3 254.378 -0.510 20 0 CBADHO CC1(C)CN[C@H]1C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000644113992 419565035 /nfs/dbraw/zinc/56/50/35/419565035.db2.gz YTYNNBUQTCCDAE-ONGXEEELSA-N 1 3 263.345 0.354 20 0 CBADHO CCN(CCNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000219918621 419565191 /nfs/dbraw/zinc/56/51/91/419565191.db2.gz SPSIXPFHDFPJGX-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO O=C(CNCC1CC1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328631899 419632107 /nfs/dbraw/zinc/63/21/07/419632107.db2.gz RNVOBRNRRUVSCR-NSHDSACASA-N 1 3 263.345 0.356 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000647723896 419638081 /nfs/dbraw/zinc/63/80/81/419638081.db2.gz AAUYWHAIBDONAN-LOWVWBTDSA-N 1 3 284.404 -0.410 20 0 CBADHO CCN1CCN(CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236881740 419571409 /nfs/dbraw/zinc/57/14/09/419571409.db2.gz PDVZSXWGZRZNBI-CQSZACIVSA-N 1 3 268.405 -0.260 20 0 CBADHO CC1(C)NC(=O)N(CCCNC2(CO)CC[NH2+]CC2)C1=O ZINC000662285373 419572990 /nfs/dbraw/zinc/57/29/90/419572990.db2.gz DUPBXGXYJHBUOY-UHFFFAOYSA-N 1 3 298.387 -0.589 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281118 419574606 /nfs/dbraw/zinc/57/46/06/419574606.db2.gz SZZKYNCOCKSPKI-LLVKDONJSA-N 1 3 270.377 -0.290 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC[NH3+] ZINC000237017643 419576370 /nfs/dbraw/zinc/57/63/70/419576370.db2.gz WNWKUBHIFFMRDL-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000237476675 419581377 /nfs/dbraw/zinc/58/13/77/419581377.db2.gz ZPEWPAXGGYTTJB-UKRRQHHQSA-N 1 3 282.432 -0.014 20 0 CBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000662296610 419582289 /nfs/dbraw/zinc/58/22/89/419582289.db2.gz TZDMDVMBHVIXHM-NWDGAFQWSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296610 419582296 /nfs/dbraw/zinc/58/22/96/419582296.db2.gz TZDMDVMBHVIXHM-NWDGAFQWSA-N 1 3 253.350 -0.430 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296610 419582300 /nfs/dbraw/zinc/58/23/00/419582300.db2.gz TZDMDVMBHVIXHM-NWDGAFQWSA-N 1 3 253.350 -0.430 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000237314962 419583040 /nfs/dbraw/zinc/58/30/40/419583040.db2.gz LQBDDDJAWJCBPB-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)C(=O)N(C)[C@H]1CCN(CCOCC[NH3+])C1 ZINC000662317210 419585210 /nfs/dbraw/zinc/58/52/10/419585210.db2.gz NREBDFOLEQQEPY-NSHDSACASA-N 1 3 258.366 -0.351 20 0 CBADHO CN[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662340751 419588268 /nfs/dbraw/zinc/58/82/68/419588268.db2.gz HOCNMTQQXWEQNR-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH2+]C[C@@H](O)CNC[C@@H](O)CN(C)Cc1ccccc1 ZINC000647526526 419604349 /nfs/dbraw/zinc/60/43/49/419604349.db2.gz APXABEDMIXEIAE-HUUCEWRRSA-N 1 3 281.400 -0.351 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662444461 419605120 /nfs/dbraw/zinc/60/51/20/419605120.db2.gz IUQYMBWWBHWXNX-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CS(=O)(=O)N1CC[C@@H](CN[C@H]2CCC[NH2+]C2)C1 ZINC000647549467 419607052 /nfs/dbraw/zinc/60/70/52/419607052.db2.gz BWEIWMTZAJLYGF-QWRGUYRKSA-N 1 3 261.391 -0.391 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662453254 419610051 /nfs/dbraw/zinc/61/00/51/419610051.db2.gz VRQFCHKJHDMKEL-UTUOFQBUSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCn1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)nn1 ZINC000662450600 419611587 /nfs/dbraw/zinc/61/15/87/419611587.db2.gz AFIJSAABNNFSIQ-LLVKDONJSA-N 1 3 278.360 -0.549 20 0 CBADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000662479773 419617300 /nfs/dbraw/zinc/61/73/00/419617300.db2.gz MRWQSJFHDUOSFA-OLZOCXBDSA-N 1 3 270.421 -0.016 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000647594963 419620246 /nfs/dbraw/zinc/62/02/46/419620246.db2.gz BFNXUASTMRCRFD-DCAQKATOSA-N 1 3 284.404 -0.173 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662497457 419623450 /nfs/dbraw/zinc/62/34/50/419623450.db2.gz JNOQLNWOBVLWOE-MWLCHTKSSA-N 1 3 278.360 -0.551 20 0 CBADHO C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N(C)C ZINC000662527668 419630787 /nfs/dbraw/zinc/63/07/87/419630787.db2.gz XRDZBEWAZXPEBP-JTQLQIEISA-N 1 3 280.376 -0.118 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CNCCC1(F)F ZINC000647679526 419630916 /nfs/dbraw/zinc/63/09/16/419630916.db2.gz LISIUQQIXWDCNY-JTQLQIEISA-N 1 3 276.331 -0.747 20 0 CBADHO CN(CCC(=O)N1CCNCC1)C1CC[NH2+]CC1 ZINC000647816922 419660822 /nfs/dbraw/zinc/66/08/22/419660822.db2.gz DJXTVXPCTKEJCF-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)C1CCNCC1 ZINC000647816922 419660828 /nfs/dbraw/zinc/66/08/28/419660828.db2.gz DJXTVXPCTKEJCF-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)C1CCNCC1 ZINC000647816922 419660833 /nfs/dbraw/zinc/66/08/33/419660833.db2.gz DJXTVXPCTKEJCF-UHFFFAOYSA-N 1 3 254.378 -0.508 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647818209 419662824 /nfs/dbraw/zinc/66/28/24/419662824.db2.gz CTEBZNCEUVJFDM-QWRGUYRKSA-N 1 3 255.362 -0.049 20 0 CBADHO CC1(OCC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CNC1 ZINC000647829476 419665653 /nfs/dbraw/zinc/66/56/53/419665653.db2.gz MKFLAOGYOHNKFV-MNOVXSKESA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662658489 419671194 /nfs/dbraw/zinc/67/11/94/419671194.db2.gz AXKXJNBGMFJBCA-UHFFFAOYSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659202 419672347 /nfs/dbraw/zinc/67/23/47/419672347.db2.gz JIXUZHMZJOVZGP-LLVKDONJSA-N 1 3 272.393 -0.537 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662684037 419681307 /nfs/dbraw/zinc/68/13/07/419681307.db2.gz ADENABXOZXXJEN-LLVKDONJSA-N 1 3 280.376 -0.349 20 0 CBADHO CN(C)CCn1cc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cn1 ZINC000662701207 419689960 /nfs/dbraw/zinc/68/99/60/419689960.db2.gz MVJLTDNMZAIGEH-NEPJUHHUSA-N 1 3 281.360 -0.253 20 0 CBADHO CC[C@H]1CN(CCC(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000647934362 419690948 /nfs/dbraw/zinc/69/09/48/419690948.db2.gz BVUPBMJUMPHNEJ-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CCCN1CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662704230 419693676 /nfs/dbraw/zinc/69/36/76/419693676.db2.gz XAQUPDSBKHADQU-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO CCCN1CC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662704033 419695704 /nfs/dbraw/zinc/69/57/04/419695704.db2.gz SBLHZOQEYYNUGE-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(C[C@@H]1CSCCN1)NCC12CC(C1)C[NH2+]2 ZINC000662718991 419699457 /nfs/dbraw/zinc/69/94/57/419699457.db2.gz UAFZYEHEGBSPQY-SQLBVSGCSA-N 1 3 255.387 -0.050 20 0 CBADHO CC(C)(C)[C@@H](CN)[NH2+]CCC(=O)N1CCNCC1 ZINC000647988045 419704638 /nfs/dbraw/zinc/70/46/38/419704638.db2.gz IQRAWPFOVDUHSI-LLVKDONJSA-N 1 3 256.394 -0.229 20 0 CBADHO CC(C)(C)[C@@H](C[NH3+])NCCC(=O)N1CCNCC1 ZINC000647988045 419704642 /nfs/dbraw/zinc/70/46/42/419704642.db2.gz IQRAWPFOVDUHSI-LLVKDONJSA-N 1 3 256.394 -0.229 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662758391 419709942 /nfs/dbraw/zinc/70/99/42/419709942.db2.gz RFUZRXMHWDNJIN-JHJVBQTASA-N 1 3 268.405 -0.134 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662755435 419710042 /nfs/dbraw/zinc/71/00/42/419710042.db2.gz BOLYIAIPBHJDHD-HAQNSBGRSA-N 1 3 254.378 -0.523 20 0 CBADHO CCC[C@@H]1CNCCN1C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000648108439 419730011 /nfs/dbraw/zinc/73/00/11/419730011.db2.gz VDSFQKMTLUNKEP-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000648108899 419731829 /nfs/dbraw/zinc/73/18/29/419731829.db2.gz AYVUTWPPRLNBIL-OPDFLTKYSA-N 1 3 296.415 -0.328 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662813545 419736340 /nfs/dbraw/zinc/73/63/40/419736340.db2.gz KMEYWUNOULSNJY-PSASIEDQSA-N 1 3 281.278 -0.367 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000648128722 419742958 /nfs/dbraw/zinc/74/29/58/419742958.db2.gz LWQRHYVBWGORRH-UMNHJUIQSA-N 1 3 270.377 -0.657 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COC1(C)CNC1 ZINC000648136710 419749076 /nfs/dbraw/zinc/74/90/76/419749076.db2.gz FBROBTMPNZFLGG-FOGDFJRCSA-N 1 3 255.362 -0.132 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000648148144 419755634 /nfs/dbraw/zinc/75/56/34/419755634.db2.gz LYBHBHDZTKITNR-JQWIXIFHSA-N 1 3 284.404 -0.410 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH3+])CCCC2)CC1=O ZINC000662862607 419758619 /nfs/dbraw/zinc/75/86/19/419758619.db2.gz DJJQFVHAAGUVLF-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CN)CC1 ZINC000648152540 419759568 /nfs/dbraw/zinc/75/95/68/419759568.db2.gz CAXVBRJVCLHERG-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CN)CC1 ZINC000648152540 419759573 /nfs/dbraw/zinc/75/95/73/419759573.db2.gz CAXVBRJVCLHERG-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO CCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000662910383 419769943 /nfs/dbraw/zinc/76/99/43/419769943.db2.gz NUVWJDYYYCOOGV-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185677 419771233 /nfs/dbraw/zinc/77/12/33/419771233.db2.gz BKQWPQWLVSDELL-YPMHNXCESA-N 1 3 296.415 -0.123 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662921229 419775104 /nfs/dbraw/zinc/77/51/04/419775104.db2.gz HFFHGCSOBJBWJV-UHFFFAOYSA-N 1 3 286.420 -0.160 20 0 CBADHO CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000662926556 419777096 /nfs/dbraw/zinc/77/70/96/419777096.db2.gz NCLGLYUJVQEYPX-PWSUYJOCSA-N 1 3 272.393 -0.425 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662928432 419778597 /nfs/dbraw/zinc/77/85/97/419778597.db2.gz PRDNRFVXKDWBEN-LLVKDONJSA-N 1 3 284.404 -0.265 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000662929753 419780365 /nfs/dbraw/zinc/78/03/65/419780365.db2.gz IXVOHLQHMYBKDM-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000662971526 419799577 /nfs/dbraw/zinc/79/95/77/419799577.db2.gz BDVHWXPNVDUBJE-ZIAGYGMSSA-N 1 3 299.415 -0.066 20 0 CBADHO O=C(N1CCOC2(CNC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000663217975 419831115 /nfs/dbraw/zinc/83/11/15/419831115.db2.gz UZESHXJEFNJKIY-UHFFFAOYSA-N 1 3 265.357 -0.138 20 0 CBADHO CC(C)[C@H](C(=O)N1CCOC2(CNC2)C1)[C@H](C)[NH3+] ZINC000663493018 419842159 /nfs/dbraw/zinc/84/21/59/419842159.db2.gz ZVTAHBADKKTWFK-QWRGUYRKSA-N 1 3 255.362 -0.193 20 0 CBADHO CC(C)[C@H](C(=O)N1CCOC2(CNC2)C1)[C@@H](C)[NH3+] ZINC000663493017 419844110 /nfs/dbraw/zinc/84/41/10/419844110.db2.gz ZVTAHBADKKTWFK-MNOVXSKESA-N 1 3 255.362 -0.193 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000663718186 419857597 /nfs/dbraw/zinc/85/75/97/419857597.db2.gz ZMHXQTQYWBKDEK-XUXIUFHCSA-N 1 3 296.415 -0.071 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000663718186 419857602 /nfs/dbraw/zinc/85/76/02/419857602.db2.gz ZMHXQTQYWBKDEK-XUXIUFHCSA-N 1 3 296.415 -0.071 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000355286475 419867472 /nfs/dbraw/zinc/86/74/72/419867472.db2.gz XPRYVKRVSQQHKW-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)COCC[NH3+])C[C@H](C)O1 ZINC000649302422 419870860 /nfs/dbraw/zinc/87/08/60/419870860.db2.gz OFZQXCNVLAQPFU-BETUJISGSA-N 1 3 287.404 -0.033 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181139 419885098 /nfs/dbraw/zinc/88/50/98/419885098.db2.gz HFWWSNSGIGGDMB-IHRRRGAJSA-N 1 3 296.415 -0.213 20 0 CBADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1O ZINC000664181139 419885100 /nfs/dbraw/zinc/88/51/00/419885100.db2.gz HFWWSNSGIGGDMB-IHRRRGAJSA-N 1 3 296.415 -0.213 20 0 CBADHO [NH3+]CCCn1cc(C(=O)NCCN2CCCC2)nn1 ZINC000649280844 419862416 /nfs/dbraw/zinc/86/24/16/419862416.db2.gz PCSWXHHSVPAWER-UHFFFAOYSA-N 1 3 266.349 -0.548 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649350469 419898470 /nfs/dbraw/zinc/89/84/70/419898470.db2.gz FOWOQZAHXRYUCQ-CYBMUJFWSA-N 1 3 298.431 -0.493 20 0 CBADHO CC[N@H+]1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664384008 419903684 /nfs/dbraw/zinc/90/36/84/419903684.db2.gz AEQAPUBFFYPWHC-CYDGBPFRSA-N 1 3 284.404 -0.357 20 0 CBADHO CC[N@@H+]1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664384008 419903689 /nfs/dbraw/zinc/90/36/89/419903689.db2.gz AEQAPUBFFYPWHC-CYDGBPFRSA-N 1 3 284.404 -0.357 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000649352856 419904602 /nfs/dbraw/zinc/90/46/02/419904602.db2.gz QQCCZLRUANHQEK-KBXIAJHMSA-N 1 3 292.427 -0.310 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351272 419905425 /nfs/dbraw/zinc/90/54/25/419905425.db2.gz FTIUJDNERKUMSR-KBXIAJHMSA-N 1 3 294.443 -0.158 20 0 CBADHO CCN1CCC(NC(=O)CN(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000649409818 419909526 /nfs/dbraw/zinc/90/95/26/419909526.db2.gz NNDNFQVENGCLOR-CYBMUJFWSA-N 1 3 268.405 -0.119 20 0 CBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649412542 419910532 /nfs/dbraw/zinc/91/05/32/419910532.db2.gz RYCOACAIRQMJME-AWEZNQCLSA-N 1 3 280.416 -0.164 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668302548 544692046 /nfs/dbraw/zinc/69/20/46/544692046.db2.gz JTZPMZIFJBZFIB-ITGUQSILSA-N 1 3 269.389 -0.169 20 0 CBADHO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOC2(CNC2)C1 ZINC000664727748 419914311 /nfs/dbraw/zinc/91/43/11/419914311.db2.gz PQVLDORWCBLPKL-SECBINFHSA-N 1 3 275.299 -0.568 20 0 CBADHO [NH3+]C1(C(=O)N2CCOC3(CNC3)C2)CCCCC1 ZINC000664726001 419914611 /nfs/dbraw/zinc/91/46/11/419914611.db2.gz NFSNEOSIRDLQGP-UHFFFAOYSA-N 1 3 253.346 -0.151 20 0 CBADHO CN1CCC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000669403150 544748998 /nfs/dbraw/zinc/74/89/98/544748998.db2.gz MFNKAOPWFNMUBK-GFCCVEGCSA-N 1 3 269.393 -0.715 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCN(C)C2CC2)CCO1 ZINC000669477828 544750461 /nfs/dbraw/zinc/75/04/61/544750461.db2.gz JJUHUQNKOHUPSE-CMPLNLGQSA-N 1 3 270.377 -0.162 20 0 CBADHO CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750769 /nfs/dbraw/zinc/75/07/69/544750769.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 1 3 295.431 -0.245 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491299 544751199 /nfs/dbraw/zinc/75/11/99/544751199.db2.gz UBMOLMXIDFQNDA-CQSZACIVSA-N 1 3 295.431 -0.325 20 0 CBADHO CC(C)(C(=O)NC[C@H]1CCCC[NH2+]1)N1CCNCC1 ZINC000669509589 544751448 /nfs/dbraw/zinc/75/14/48/544751448.db2.gz DWYBWVZMOZAGHY-GFCCVEGCSA-N 1 3 268.405 -0.072 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H](CN)C1 ZINC000669512655 544752839 /nfs/dbraw/zinc/75/28/39/544752839.db2.gz WQGKARFDVLZHFQ-YNEHKIRRSA-N 1 3 268.405 -0.005 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294666 419938783 /nfs/dbraw/zinc/93/87/83/419938783.db2.gz TZFMNQPEUCBGBZ-SCZZXKLOSA-N 1 3 251.334 -0.272 20 0 CBADHO CN(CCC1CC[NH2+]CC1)CC(=O)N1CCNCC1 ZINC000359208615 419947930 /nfs/dbraw/zinc/94/79/30/419947930.db2.gz CHFWFRYGVVXUNM-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)C1 ZINC000665638755 419959393 /nfs/dbraw/zinc/95/93/93/419959393.db2.gz AULBNNBTWZVQLH-LBPRGKRZSA-N 1 3 299.419 -0.600 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)C1 ZINC000665638755 419959398 /nfs/dbraw/zinc/95/93/98/419959398.db2.gz AULBNNBTWZVQLH-LBPRGKRZSA-N 1 3 299.419 -0.600 20 0 CBADHO Cn1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(=O)n(C)c1=O ZINC000650709265 419964745 /nfs/dbraw/zinc/96/47/45/419964745.db2.gz NSMNVAREZUADBG-WFASDCNBSA-N 1 3 292.383 -0.355 20 0 CBADHO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(=O)n(C)c1=O ZINC000650709265 419964749 /nfs/dbraw/zinc/96/47/49/419964749.db2.gz NSMNVAREZUADBG-WFASDCNBSA-N 1 3 292.383 -0.355 20 0 CBADHO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c(=O)n(C)c1=O ZINC000650709265 419964753 /nfs/dbraw/zinc/96/47/53/419964753.db2.gz NSMNVAREZUADBG-WFASDCNBSA-N 1 3 292.383 -0.355 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651098878 419985013 /nfs/dbraw/zinc/98/50/13/419985013.db2.gz KIJTXEKBCURPIA-LBPRGKRZSA-N 1 3 299.419 -0.648 20 0 CBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364193434 420030935 /nfs/dbraw/zinc/03/09/35/420030935.db2.gz MVWXVFNKKPKGQX-OLZOCXBDSA-N 1 3 263.341 -0.258 20 0 CBADHO NC1(C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000364160479 420031107 /nfs/dbraw/zinc/03/11/07/420031107.db2.gz KPPXXPPYAOWYBY-ZDUSSCGKSA-N 1 3 275.352 -0.331 20 0 CBADHO N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364193431 420031942 /nfs/dbraw/zinc/03/19/42/420031942.db2.gz MVWXVFNKKPKGQX-CHWSQXEVSA-N 1 3 263.341 -0.258 20 0 CBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336925 420056433 /nfs/dbraw/zinc/05/64/33/420056433.db2.gz OWCJWSHWYNZXRR-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000652336925 420056436 /nfs/dbraw/zinc/05/64/36/420056436.db2.gz OWCJWSHWYNZXRR-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO CN(C)CCn1cc(NC(=O)NCCC[NH3+])cn1 ZINC000652612108 420070436 /nfs/dbraw/zinc/07/04/36/420070436.db2.gz IPMZEAHKOBXUIW-UHFFFAOYSA-N 1 3 254.338 -0.085 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105490 420115775 /nfs/dbraw/zinc/11/57/75/420115775.db2.gz YEUTXTKKTLCCIO-OBJOEFQTSA-N 1 3 267.373 -0.177 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000653112612 420116597 /nfs/dbraw/zinc/11/65/97/420116597.db2.gz DEDAAPZDFMJJSX-CMPLNLGQSA-N 1 3 254.378 -0.382 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653105146 420117470 /nfs/dbraw/zinc/11/74/70/420117470.db2.gz HSVWKIDIQVPUAN-RYUDHWBXSA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@H]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122253 420119355 /nfs/dbraw/zinc/11/93/55/420119355.db2.gz RKGZKOFWNKHRGY-OBJOEFQTSA-N 1 3 267.373 -0.320 20 0 CBADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCN(C2CC2)C1 ZINC000653117132 420119694 /nfs/dbraw/zinc/11/96/94/420119694.db2.gz AMXHAPOYZXQDAN-STQMWFEESA-N 1 3 268.405 -0.040 20 0 CBADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N(C)C1CC1 ZINC000653116412 420120486 /nfs/dbraw/zinc/12/04/86/420120486.db2.gz GEMYUYRSGYQNOZ-SUNKGSAMSA-N 1 3 267.373 -0.179 20 0 CBADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1C ZINC000653119804 420120596 /nfs/dbraw/zinc/12/05/96/420120596.db2.gz WWNLOMZPAOWVRQ-MNXVOIDGSA-N 1 3 267.373 -0.179 20 0 CBADHO O=C(N1CC[C@@H](N2CCCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115160 420120609 /nfs/dbraw/zinc/12/06/09/420120609.db2.gz FQIWMTRVOYXWCI-GUTXKFCHSA-N 1 3 279.384 -0.081 20 0 CBADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1[nH]nc2c1CNCC2 ZINC000368047723 420122563 /nfs/dbraw/zinc/12/25/63/420122563.db2.gz UVWTZXCMJIXSKL-YUMQZZPRSA-N 1 3 267.308 -0.515 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653148751 420122799 /nfs/dbraw/zinc/12/27/99/420122799.db2.gz KCRMUSQGZAYHIP-NWDGAFQWSA-N 1 3 256.394 -0.182 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368191809 420125397 /nfs/dbraw/zinc/12/53/97/420125397.db2.gz CDYFRVAUVGSVQZ-YNEHKIRRSA-N 1 3 294.399 -0.783 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000653180223 420126519 /nfs/dbraw/zinc/12/65/19/420126519.db2.gz MTSOMTUDIOTRIK-UHFFFAOYSA-N 1 3 285.388 -0.408 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC1(C[NH3+])CC1 ZINC000653220977 420128970 /nfs/dbraw/zinc/12/89/70/420128970.db2.gz BTJGTQVQBQIZEU-NSHDSACASA-N 1 3 270.377 -0.669 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)C[C@H]1C[NH3+] ZINC000653247594 420130453 /nfs/dbraw/zinc/13/04/53/420130453.db2.gz JMZJBOHQMHGBPP-MXWKQRLJSA-N 1 3 255.362 -0.193 20 0 CBADHO C[C@@H](CO)N[C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653285193 420138061 /nfs/dbraw/zinc/13/80/61/420138061.db2.gz HJWPPGXHZMXHOV-VHSXEESVSA-N 1 3 257.334 -0.964 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652692205 420072434 /nfs/dbraw/zinc/07/24/34/420072434.db2.gz MCGPYXLVDAZMBB-UHFFFAOYSA-N 1 3 284.404 -0.310 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000652697630 420074326 /nfs/dbraw/zinc/07/43/26/420074326.db2.gz JRPBQVIRSVZBHV-UHFFFAOYSA-N 1 3 296.415 -0.201 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724454 420077014 /nfs/dbraw/zinc/07/70/14/420077014.db2.gz BUNGDMQJCALTTG-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1=O ZINC000652733692 420078823 /nfs/dbraw/zinc/07/88/23/420078823.db2.gz NVECRENPFHULOK-LBPRGKRZSA-N 1 3 282.388 -0.830 20 0 CBADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000652733692 420078827 /nfs/dbraw/zinc/07/88/27/420078827.db2.gz NVECRENPFHULOK-LBPRGKRZSA-N 1 3 282.388 -0.830 20 0 CBADHO C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CCCC1 ZINC000653347591 420141333 /nfs/dbraw/zinc/14/13/33/420141333.db2.gz HBQGAHWQCNVBPF-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652732547 420079869 /nfs/dbraw/zinc/07/98/69/420079869.db2.gz NQLBPNNANXJNNT-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000652731501 420079882 /nfs/dbraw/zinc/07/98/82/420079882.db2.gz MDXMUQKXRZVFON-GFCCVEGCSA-N 1 3 282.388 -0.510 20 0 CBADHO CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N(C)C ZINC000652734697 420080403 /nfs/dbraw/zinc/08/04/03/420080403.db2.gz TUOPKBSBYNCJIE-CQSZACIVSA-N 1 3 298.431 -0.195 20 0 CBADHO CN(C)CCN1CCN(C(=O)CCCC[NH+](C)C)CC1=O ZINC000652735509 420081340 /nfs/dbraw/zinc/08/13/40/420081340.db2.gz MMEIAFQDZRJLSY-UHFFFAOYSA-N 1 3 298.431 -0.049 20 0 CBADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCOCC1 ZINC000382231621 420199916 /nfs/dbraw/zinc/19/99/16/420199916.db2.gz UXNWQJNZQOKNAO-BETUJISGSA-N 1 3 267.373 -0.223 20 0 CBADHO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000388501591 420205274 /nfs/dbraw/zinc/20/52/74/420205274.db2.gz HJSNPUOXEOKBIH-VXGBXAGGSA-N 1 3 291.417 -0.669 20 0 CBADHO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000388501591 420205276 /nfs/dbraw/zinc/20/52/76/420205276.db2.gz HJSNPUOXEOKBIH-VXGBXAGGSA-N 1 3 291.417 -0.669 20 0 CBADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000397377726 420214587 /nfs/dbraw/zinc/21/45/87/420214587.db2.gz JDBYACBHKJIUNH-OPRDCNLKSA-N 1 3 256.350 -0.123 20 0 CBADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NC(N)=O)C[C@@H]1C[NH3+] ZINC000397377720 420214840 /nfs/dbraw/zinc/21/48/40/420214840.db2.gz JDBYACBHKJIUNH-BBBLOLIVSA-N 1 3 256.350 -0.123 20 0 CBADHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCOCC1 ZINC000369018278 420150017 /nfs/dbraw/zinc/15/00/17/420150017.db2.gz WXFRUCXNSUGBBS-NEPJUHHUSA-N 1 3 268.361 -0.294 20 0 CBADHO CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649581 420154808 /nfs/dbraw/zinc/15/48/08/420154808.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649581 420154811 /nfs/dbraw/zinc/15/48/11/420154811.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000653694688 420156993 /nfs/dbraw/zinc/15/69/93/420156993.db2.gz NNWWWLNOGWDWPZ-RDBSUJKOSA-N 1 3 271.405 -0.439 20 0 CBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000653694688 420156996 /nfs/dbraw/zinc/15/69/96/420156996.db2.gz NNWWWLNOGWDWPZ-RDBSUJKOSA-N 1 3 271.405 -0.439 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000653778276 420162448 /nfs/dbraw/zinc/16/24/48/420162448.db2.gz PQHCHKLHKAHSLL-ZDUSSCGKSA-N 1 3 286.420 -0.995 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000653778276 420162452 /nfs/dbraw/zinc/16/24/52/420162452.db2.gz PQHCHKLHKAHSLL-ZDUSSCGKSA-N 1 3 286.420 -0.995 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)N1C ZINC000672930623 544863166 /nfs/dbraw/zinc/86/31/66/544863166.db2.gz MHPWGCCYCJLWBC-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@H+](C[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405273576 420227207 /nfs/dbraw/zinc/22/72/07/420227207.db2.gz WAAFUINGBCNGQC-MJBXVCDLSA-N 1 3 269.389 -0.808 20 0 CBADHO C[N@@H+](C[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405273576 420227211 /nfs/dbraw/zinc/22/72/11/420227211.db2.gz WAAFUINGBCNGQC-MJBXVCDLSA-N 1 3 269.389 -0.808 20 0 CBADHO CC[NH2+]CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000418321075 420242129 /nfs/dbraw/zinc/24/21/29/420242129.db2.gz XRVGVBHHNHCTFK-GFCCVEGCSA-N 1 3 272.393 -0.258 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCNCC1 ZINC000418937324 420243408 /nfs/dbraw/zinc/24/34/08/420243408.db2.gz KQKXFYAFSWMFJG-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000418948823 420243584 /nfs/dbraw/zinc/24/35/84/420243584.db2.gz QZXIMTWCWZIFRN-WDEREUQCSA-N 1 3 272.393 -0.456 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418948349 420243969 /nfs/dbraw/zinc/24/39/69/420243969.db2.gz QLZCRWGTRZOUIW-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000418948820 420244203 /nfs/dbraw/zinc/24/42/03/420244203.db2.gz QZXIMTWCWZIFRN-GHMZBOCLSA-N 1 3 272.393 -0.456 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698027 420245160 /nfs/dbraw/zinc/24/51/60/420245160.db2.gz RRLPHQXQEUBVCM-WDEREUQCSA-N 1 3 282.388 -0.417 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419863001 420245842 /nfs/dbraw/zinc/24/58/42/420245842.db2.gz DKQFJGKVXBEIEF-RWMBFGLXSA-N 1 3 296.415 -0.027 20 0 CBADHO CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000655419322 420247559 /nfs/dbraw/zinc/24/75/59/420247559.db2.gz SICKEUWJYVCADS-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](CN)C1 ZINC000655418514 420248147 /nfs/dbraw/zinc/24/81/47/420248147.db2.gz ACYKPRYTHYRHGW-SGMGOOAPSA-N 1 3 266.389 -0.523 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419883358 420248137 /nfs/dbraw/zinc/24/81/37/420248137.db2.gz DDLBWARBVRGNGY-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000420162735 420248978 /nfs/dbraw/zinc/24/89/78/420248978.db2.gz YRJYHMGFMICFQZ-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422976251 420255370 /nfs/dbraw/zinc/25/53/70/420255370.db2.gz UTNHDIFHVZDZES-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000423058391 420255642 /nfs/dbraw/zinc/25/56/42/420255642.db2.gz BZQAUKFXSNYFCF-UHFFFAOYSA-N 1 3 286.420 -0.290 20 0 CBADHO CC(C)N1CC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629330 420272532 /nfs/dbraw/zinc/27/25/32/420272532.db2.gz PWYKYFVINSOGLA-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000436871388 420281780 /nfs/dbraw/zinc/28/17/80/420281780.db2.gz HPCVKINHTJWSSY-NSHDSACASA-N 1 3 282.392 0.516 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963021 420282122 /nfs/dbraw/zinc/28/21/22/420282122.db2.gz FFXRFKYZWZQNCA-TUAOUCFPSA-N 1 3 270.377 -0.570 20 0 CBADHO C[NH2+]CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655960915 420282902 /nfs/dbraw/zinc/28/29/02/420282902.db2.gz CZYWAZSRMSVYIN-WDEREUQCSA-N 1 3 256.350 -0.944 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655970712 420283990 /nfs/dbraw/zinc/28/39/90/420283990.db2.gz XABCYBOPSRSMNE-NOOOWODRSA-N 1 3 270.377 -0.427 20 0 CBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655970714 420284125 /nfs/dbraw/zinc/28/41/25/420284125.db2.gz XABCYBOPSRSMNE-WISYIIOYSA-N 1 3 270.377 -0.427 20 0 CBADHO [NH3+]C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000655964526 420284648 /nfs/dbraw/zinc/28/46/48/420284648.db2.gz WVRCQXHDZSXRIK-TUAOUCFPSA-N 1 3 268.361 -0.816 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655966216 420285190 /nfs/dbraw/zinc/28/51/90/420285190.db2.gz QIQSWOYEJFJERV-FRRDWIJNSA-N 1 3 282.388 -0.411 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3COC[C@]3(C)C2)C1=O ZINC000656477938 420311607 /nfs/dbraw/zinc/31/16/07/420311607.db2.gz ODRYBYAFCNFPMM-HUBLWGQQSA-N 1 3 295.383 -0.356 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@H]3COC[C@]3(C)C2)C1=O ZINC000656477938 420311608 /nfs/dbraw/zinc/31/16/08/420311608.db2.gz ODRYBYAFCNFPMM-HUBLWGQQSA-N 1 3 295.383 -0.356 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H]1CNCCO1)C2=O ZINC000656611521 420318463 /nfs/dbraw/zinc/31/84/63/420318463.db2.gz KHIXRLJPIVZXCW-WDMOLILDSA-N 1 3 296.371 -0.586 20 0 CBADHO CN1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCC1=O ZINC000656790774 420322360 /nfs/dbraw/zinc/32/23/60/420322360.db2.gz AELMQZWUFPPSFT-GFCCVEGCSA-N 1 3 282.388 -0.652 20 0 CBADHO CN1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCC1=O ZINC000656790774 420322364 /nfs/dbraw/zinc/32/23/64/420322364.db2.gz AELMQZWUFPPSFT-GFCCVEGCSA-N 1 3 282.388 -0.652 20 0 CBADHO C[C@H](Cn1cncn1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873045 420364171 /nfs/dbraw/zinc/36/41/71/420364171.db2.gz QXLANAYGROFRPD-OLZOCXBDSA-N 1 3 294.403 -0.156 20 0 CBADHO C[C@H](Cn1cncn1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657873045 420364177 /nfs/dbraw/zinc/36/41/77/420364177.db2.gz QXLANAYGROFRPD-OLZOCXBDSA-N 1 3 294.403 -0.156 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000656042030 420294609 /nfs/dbraw/zinc/29/46/09/420294609.db2.gz UHJDUMSPGAIGSO-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000519387565 420381622 /nfs/dbraw/zinc/38/16/22/420381622.db2.gz LMKXLTWVFVUWFN-IGQOVBAYSA-N 1 3 273.421 -0.004 20 0 CBADHO CCO[C@@H]1C[C@](N)(C(=O)NCCN2CC[NH2+]CC2)C1(C)C ZINC000519603141 420383014 /nfs/dbraw/zinc/38/30/14/420383014.db2.gz ZUDDIKDQNNKWOU-DOMZBBRYSA-N 1 3 298.431 -0.460 20 0 CBADHO C[C@H](CNC(=O)[C@H](C)N(C)C)C[NH+]1CCN(C)CC1 ZINC000674263797 544901033 /nfs/dbraw/zinc/90/10/33/544901033.db2.gz AIIWVSKPJUUJHC-OLZOCXBDSA-N 1 3 270.421 -0.064 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000673660533 544883118 /nfs/dbraw/zinc/88/31/18/544883118.db2.gz ASPUNBNTOLYJJT-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO N[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[C@H]1F ZINC000659389215 420418356 /nfs/dbraw/zinc/41/83/56/420418356.db2.gz PRKIARKIMHNTEL-OPRDCNLKSA-N 1 3 261.366 -0.021 20 0 CBADHO O=C(C[C@H]1CSCCN1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000548017413 420421758 /nfs/dbraw/zinc/42/17/58/420421758.db2.gz AMKFPEMKGDWMSH-WDEREUQCSA-N 1 3 295.412 0.451 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000659457756 420421863 /nfs/dbraw/zinc/42/18/63/420421863.db2.gz KHKHCIOKDZYJOP-CYBMUJFWSA-N 1 3 285.436 -0.079 20 0 CBADHO CC[NH2+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659505860 420424253 /nfs/dbraw/zinc/42/42/53/420424253.db2.gz RXIBJAAZBAPNLK-UHFFFAOYSA-N 1 3 282.348 -0.560 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[C@H]1F ZINC000659388315 420417488 /nfs/dbraw/zinc/41/74/88/420417488.db2.gz BIPHLPOTERBZOL-HBNTYKKESA-N 1 3 296.350 -0.459 20 0 CBADHO COCC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]CC1 ZINC000659388471 420417677 /nfs/dbraw/zinc/41/76/77/420417677.db2.gz IEFKDGUOQIQRHH-GHMZBOCLSA-N 1 3 273.352 -0.100 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659511572 420425459 /nfs/dbraw/zinc/42/54/59/420425459.db2.gz GOMWAHFXWFUABU-UHFFFAOYSA-N 1 3 296.375 -0.172 20 0 CBADHO COC[C@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]1 ZINC000659542401 420430948 /nfs/dbraw/zinc/43/09/48/420430948.db2.gz NZRKTGSAKOSIDW-NQBHXWOUSA-N 1 3 288.367 -0.164 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659550651 420432605 /nfs/dbraw/zinc/43/26/05/420432605.db2.gz RNPOWXUKCNAJIH-LLVKDONJSA-N 1 3 287.408 -0.615 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000659753942 420468240 /nfs/dbraw/zinc/46/82/40/420468240.db2.gz OHVGFYCMAAKPSL-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000659753656 420468599 /nfs/dbraw/zinc/46/85/99/420468599.db2.gz QZWVHYBDHVLOSO-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCCN1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659608451 420437643 /nfs/dbraw/zinc/43/76/43/420437643.db2.gz DDKPIUVIICQNFF-NEPJUHHUSA-N 1 3 270.377 -0.160 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000659628453 420438747 /nfs/dbraw/zinc/43/87/47/420438747.db2.gz FHVGDDMHKIPSSG-NXEZZACHSA-N 1 3 294.359 -0.290 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615486 420439108 /nfs/dbraw/zinc/43/91/08/420439108.db2.gz BLTBHEGHPRDTAF-YXMLORGKSA-N 1 3 270.377 -0.650 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659636182 420441362 /nfs/dbraw/zinc/44/13/62/420441362.db2.gz NHRFQCRIWUVWSN-GARJFASQSA-N 1 3 256.350 -0.945 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659675541 420446158 /nfs/dbraw/zinc/44/61/58/420446158.db2.gz RIFXKCXWVDEUEH-BZUNDVKYSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000659681260 420447532 /nfs/dbraw/zinc/44/75/32/420447532.db2.gz SCRZXPOPZZNZOZ-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000659681258 420447815 /nfs/dbraw/zinc/44/78/15/420447815.db2.gz SCRZXPOPZZNZOZ-AVGNSLFASA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1C ZINC000659677664 420447941 /nfs/dbraw/zinc/44/79/41/420447941.db2.gz GUQKGFMDOPWMGG-MNOVXSKESA-N 1 3 284.404 -0.219 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000659688921 420449544 /nfs/dbraw/zinc/44/95/44/420449544.db2.gz OJKWJEYCIVFPNO-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000659688920 420450160 /nfs/dbraw/zinc/45/01/60/420450160.db2.gz OJKWJEYCIVFPNO-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693041 420450299 /nfs/dbraw/zinc/45/02/99/420450299.db2.gz ZFVXGVFRYAYRRK-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000659694927 420450590 /nfs/dbraw/zinc/45/05/90/420450590.db2.gz SXSNOWGTBSDKQW-UHFFFAOYSA-N 1 3 296.415 -0.025 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000659697003 420450646 /nfs/dbraw/zinc/45/06/46/420450646.db2.gz FTEODYYIYXXHMC-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000659699526 420451628 /nfs/dbraw/zinc/45/16/28/420451628.db2.gz WIXCFAMYRQQDGV-VXGBXAGGSA-N 1 3 284.404 -0.441 20 0 CBADHO CCN(CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659699437 420451867 /nfs/dbraw/zinc/45/18/67/420451867.db2.gz QBXSASROUHUPMN-UHFFFAOYSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000659702558 420452734 /nfs/dbraw/zinc/45/27/34/420452734.db2.gz PVFYUKSFLNTGCR-VHSXEESVSA-N 1 3 270.377 -0.691 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659703299 420452918 /nfs/dbraw/zinc/45/29/18/420452918.db2.gz YEAMTFHOYXOERZ-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659704340 420452951 /nfs/dbraw/zinc/45/29/51/420452951.db2.gz KJLDWITVKLBMDW-JQWIXIFHSA-N 1 3 282.388 -0.689 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659704285 420453443 /nfs/dbraw/zinc/45/34/43/420453443.db2.gz JLKYTLMOZMPOJB-LBPRGKRZSA-N 1 3 282.388 -0.606 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659708814 420453786 /nfs/dbraw/zinc/45/37/86/420453786.db2.gz ABZBRKPVICSRRI-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709871 420453976 /nfs/dbraw/zinc/45/39/76/420453976.db2.gz MNXAJLRNNYXRRH-SNVBAGLBSA-N 1 3 270.377 -0.560 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000659708222 420454090 /nfs/dbraw/zinc/45/40/90/420454090.db2.gz PYDWPSJYBLWANE-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000659710458 420454797 /nfs/dbraw/zinc/45/47/97/420454797.db2.gz PRVNKKYLFLLHTN-ZDUSSCGKSA-N 1 3 296.415 -0.155 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659716108 420457060 /nfs/dbraw/zinc/45/70/60/420457060.db2.gz VLMZGRSTDJJIDS-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659716110 420457067 /nfs/dbraw/zinc/45/70/67/420457067.db2.gz VLMZGRSTDJJIDS-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000659714615 420457095 /nfs/dbraw/zinc/45/70/95/420457095.db2.gz NQBDCNHKJZWVQC-LBPRGKRZSA-N 1 3 296.415 -0.441 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659716124 420457851 /nfs/dbraw/zinc/45/78/51/420457851.db2.gz WEIXUFZCDUCGMY-WDEREUQCSA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659718396 420457872 /nfs/dbraw/zinc/45/78/72/420457872.db2.gz NXOQNEYGCGUHGT-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659718312 420458187 /nfs/dbraw/zinc/45/81/87/420458187.db2.gz OXYUBMGHTAHWCQ-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000659720868 420459425 /nfs/dbraw/zinc/45/94/25/420459425.db2.gz FXPGMIXGGGQZCY-AVGNSLFASA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659726720 420459804 /nfs/dbraw/zinc/45/98/04/420459804.db2.gz MZVZLPDLIQCAAO-ZIEZEBLDSA-N 1 3 294.399 -0.608 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659726286 420459811 /nfs/dbraw/zinc/45/98/11/420459811.db2.gz IXKCTUYCXQEEAO-RWMBFGLXSA-N 1 3 294.399 -0.402 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659723922 420460148 /nfs/dbraw/zinc/46/01/48/420460148.db2.gz RYJJNEKITQTKAH-CYBMUJFWSA-N 1 3 294.399 -0.377 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659738179 420463316 /nfs/dbraw/zinc/46/33/16/420463316.db2.gz BEEVMHMUEKHYQL-MNOVXSKESA-N 1 3 268.361 -0.854 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000659739302 420464431 /nfs/dbraw/zinc/46/44/31/420464431.db2.gz QLBPHKAIAZTFRO-XQQFMLRXSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741252 420464583 /nfs/dbraw/zinc/46/45/83/420464583.db2.gz SOHCWRUAPKGTLV-AVERBVTBSA-N 1 3 294.399 -0.593 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000659739250 420464972 /nfs/dbraw/zinc/46/49/72/420464972.db2.gz PCVQOVSXAQZITP-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000659739303 420465349 /nfs/dbraw/zinc/46/53/49/420465349.db2.gz QMSGXKYVNMDCIF-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000659749207 420465819 /nfs/dbraw/zinc/46/58/19/420465819.db2.gz FWZKYWKYKCHEOT-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750078 420467034 /nfs/dbraw/zinc/46/70/34/420467034.db2.gz MKLRGLRVHNAHRO-WDEREUQCSA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000659749961 420467046 /nfs/dbraw/zinc/46/70/46/420467046.db2.gz KYSDTSYOCSIBQO-TUAOUCFPSA-N 1 3 282.388 -0.594 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380981 420489149 /nfs/dbraw/zinc/48/91/49/420489149.db2.gz IWHUWDQZVQQPAO-AGIUHOORSA-N 1 3 262.394 -0.249 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000660380981 420489150 /nfs/dbraw/zinc/48/91/50/420489150.db2.gz IWHUWDQZVQQPAO-AGIUHOORSA-N 1 3 262.394 -0.249 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380982 420489180 /nfs/dbraw/zinc/48/91/80/420489180.db2.gz IWHUWDQZVQQPAO-AVGNSLFASA-N 1 3 262.394 -0.249 20 0 CBADHO CC(C)N(C)C[C@H](O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000660380982 420489182 /nfs/dbraw/zinc/48/91/82/420489182.db2.gz IWHUWDQZVQQPAO-AVGNSLFASA-N 1 3 262.394 -0.249 20 0 CBADHO O=C(NCCN1CC[NH2+]CC1)[C@H]1CNCc2ccccc21 ZINC000517934344 260320427 /nfs/dbraw/zinc/32/04/27/260320427.db2.gz ZIUBBBNCYYHUPD-HNNXBMFYSA-N 1 3 288.395 -0.105 20 0 CBADHO COC(=O)c1cn([C@@H]2CCN(CCOCC[NH3+])C2)nn1 ZINC000517236741 269596496 /nfs/dbraw/zinc/59/64/96/269596496.db2.gz NKGVZLGNLPQLGU-SNVBAGLBSA-N 1 3 283.332 -0.713 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@@]1(C)C[NH3+] ZINC000423061982 287840913 /nfs/dbraw/zinc/84/09/13/287840913.db2.gz LYEBHXNYFMWYDB-BXUZGUMPSA-N 1 3 284.404 -0.550 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339638427 276943168 /nfs/dbraw/zinc/94/31/68/276943168.db2.gz RFFHTLYJVPXXHD-UHFFFAOYSA-N 1 3 296.415 -0.249 20 0 CBADHO COCCNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368917384 277228412 /nfs/dbraw/zinc/22/84/12/277228412.db2.gz CORVPCQVYPRFOA-MNOVXSKESA-N 1 3 256.350 -0.390 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2COC[C@H]2O)CC1 ZINC000361293834 278289409 /nfs/dbraw/zinc/28/94/09/278289409.db2.gz AQLJPSWFSMFTMK-IACUBPJLSA-N 1 3 272.389 -0.229 20 0 CBADHO CC(C)C[C@@H](CN(C)C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351516670 278969537 /nfs/dbraw/zinc/96/95/37/278969537.db2.gz HEECTOOWBOEZDJ-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419741746 279105159 /nfs/dbraw/zinc/10/51/59/279105159.db2.gz ZKTNNNYEBNTLJJ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217721488 279131661 /nfs/dbraw/zinc/13/16/61/279131661.db2.gz VHMRMAVFDGKQLB-IJLUTSLNSA-N 1 3 257.378 -0.198 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418949232 279126864 /nfs/dbraw/zinc/12/68/64/279126864.db2.gz ROWUJABJMVPAKE-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418495368 279287810 /nfs/dbraw/zinc/28/78/10/279287810.db2.gz UMKFIMOUBAPHFY-VXGBXAGGSA-N 1 3 272.393 -0.273 20 0 CBADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000092630012 279299674 /nfs/dbraw/zinc/29/96/74/279299674.db2.gz QBFASUNBUKHKGP-WOPDTQHZSA-N 1 3 255.362 -0.348 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636193 279306195 /nfs/dbraw/zinc/30/61/95/279306195.db2.gz CGPNHEZAQJMJEI-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000357930625 288159392 /nfs/dbraw/zinc/15/93/92/288159392.db2.gz OSAURQQLFGKNPN-CRWXNKLISA-N 1 3 299.415 -0.285 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418739577 280165084 /nfs/dbraw/zinc/16/50/84/280165084.db2.gz YVKHRASHYCCQIO-NEPJUHHUSA-N 1 3 272.393 -0.130 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423839281 280273284 /nfs/dbraw/zinc/27/32/84/280273284.db2.gz CYORCKPIBCVVAL-ZDUSSCGKSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423839281 280273287 /nfs/dbraw/zinc/27/32/87/280273287.db2.gz CYORCKPIBCVVAL-ZDUSSCGKSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422534788 280273860 /nfs/dbraw/zinc/27/38/60/280273860.db2.gz BNVBCKNYHAQBSH-UHXUPSOCSA-N 1 3 298.431 -0.082 20 0 CBADHO CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCO2)CCN1 ZINC000418774711 281175487 /nfs/dbraw/zinc/17/54/87/281175487.db2.gz VOSUFOQXFOPOKZ-SNVBAGLBSA-N 1 3 256.350 -0.632 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000332234104 288306780 /nfs/dbraw/zinc/30/67/80/288306780.db2.gz NAOXMLQFHYXYFQ-WOPDTQHZSA-N 1 3 280.372 -0.759 20 0 CBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277524 288310979 /nfs/dbraw/zinc/31/09/79/288310979.db2.gz YQOCELAMSDVQCB-WRWGMCAJSA-N 1 3 253.346 -0.596 20 0 CBADHO C[NH+](C)C/C=C\C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000493320920 282023270 /nfs/dbraw/zinc/02/32/70/282023270.db2.gz MWWPFVOVKJTREB-NQHOJNORSA-N 1 3 267.373 -0.323 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419249858 289043643 /nfs/dbraw/zinc/04/36/43/289043643.db2.gz ZPDRFWBOKIXEBY-LLVKDONJSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@@H]1[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCCN1C ZINC000417993285 289053305 /nfs/dbraw/zinc/05/33/05/289053305.db2.gz AKBFWVQZFMSHAN-IJLUTSLNSA-N 1 3 270.377 -0.162 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420024276 289127827 /nfs/dbraw/zinc/12/78/27/289127827.db2.gz XWTYNGCUTASTHN-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805840 289195793 /nfs/dbraw/zinc/19/57/93/289195793.db2.gz BZAMHAMCSYIUDT-KBPBESRZSA-N 1 3 271.405 -0.437 20 0 CBADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805840 289195798 /nfs/dbraw/zinc/19/57/98/289195798.db2.gz BZAMHAMCSYIUDT-KBPBESRZSA-N 1 3 271.405 -0.437 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000091431355 289290157 /nfs/dbraw/zinc/29/01/57/289290157.db2.gz VWOUBGQBHPVGCI-GFCCVEGCSA-N 1 3 282.388 -0.639 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420031001 289545279 /nfs/dbraw/zinc/54/52/79/289545279.db2.gz RBFBVJFEBBGWIM-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000361814166 293019392 /nfs/dbraw/zinc/01/93/92/293019392.db2.gz NAYOPHSKVSKEQY-SDDRHHMPSA-N 1 3 270.377 -0.002 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000515840047 293514282 /nfs/dbraw/zinc/51/42/82/293514282.db2.gz CKJCLFVSEKAWOX-NEPJUHHUSA-N 1 3 255.362 -0.192 20 0 CBADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000424299210 295300513 /nfs/dbraw/zinc/30/05/13/295300513.db2.gz DSFZCEONBAEHTC-NXEZZACHSA-N 1 3 254.334 -0.166 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420010449 298417594 /nfs/dbraw/zinc/41/75/94/298417594.db2.gz XLNMCZGMIVPBJJ-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423715850 298530346 /nfs/dbraw/zinc/53/03/46/298530346.db2.gz HUQGSMAHEUFHOW-MNOVXSKESA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419414010 298558297 /nfs/dbraw/zinc/55/82/97/298558297.db2.gz DRXCLXIJBLMPJC-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349029317 300234592 /nfs/dbraw/zinc/23/45/92/300234592.db2.gz QLTSJAQAXIMMOT-GXFFZTMASA-N 1 3 267.373 -0.036 20 0 CBADHO NCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419183818 303381982 /nfs/dbraw/zinc/38/19/82/303381982.db2.gz MSQRODQPMIXVSI-CYBMUJFWSA-N 1 3 296.415 -0.025 20 0 CBADHO NCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419183818 303381985 /nfs/dbraw/zinc/38/19/85/303381985.db2.gz MSQRODQPMIXVSI-CYBMUJFWSA-N 1 3 296.415 -0.025 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000132200462 303382972 /nfs/dbraw/zinc/38/29/72/303382972.db2.gz JHGYFHMQYBOIPF-GWCFXTLKSA-N 1 3 286.351 -0.999 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333803419 303397939 /nfs/dbraw/zinc/39/79/39/303397939.db2.gz IFDUKSUSIGCELK-RYUDHWBXSA-N 1 3 282.388 -0.112 20 0 CBADHO C[NH2+]C[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000570716400 327613957 /nfs/dbraw/zinc/61/39/57/327613957.db2.gz JJZTWLLDYVJFEJ-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000581129921 327845284 /nfs/dbraw/zinc/84/52/84/327845284.db2.gz CSYFVHDIELQGMA-SNVBAGLBSA-N 1 3 259.350 -0.229 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCC[C@H]1CC[NH2+]C1 ZINC000563100217 327924401 /nfs/dbraw/zinc/92/44/01/327924401.db2.gz XBOYOOSXFSLYHQ-NEPJUHHUSA-N 1 3 255.362 -0.129 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563106949 327924789 /nfs/dbraw/zinc/92/47/89/327924789.db2.gz YEDZKTFIPJDAMK-QWRGUYRKSA-N 1 3 270.377 -0.717 20 0 CBADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000563208894 327965094 /nfs/dbraw/zinc/96/50/94/327965094.db2.gz FGWYAZFDZRRFHI-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000563529457 328071985 /nfs/dbraw/zinc/07/19/85/328071985.db2.gz LKMUUMXQJXPYFR-GFCCVEGCSA-N 1 3 271.409 -0.388 20 0 CBADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000563659904 328082511 /nfs/dbraw/zinc/08/25/11/328082511.db2.gz GPALNRQQSJCYDK-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572839614 328101041 /nfs/dbraw/zinc/10/10/41/328101041.db2.gz WEOLVRKPJHNKRI-RWMBFGLXSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000571423368 328120986 /nfs/dbraw/zinc/12/09/86/328120986.db2.gz QFPOLLRBLZFSRG-QWHCGFSZSA-N 1 3 294.399 -0.449 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000571520743 328131741 /nfs/dbraw/zinc/13/17/41/328131741.db2.gz MSPNFEBTQMFVGD-SECBINFHSA-N 1 3 259.350 -0.229 20 0 CBADHO C[C@H](CNC(=O)C1([NH3+])CCC1)CN1CCN(C)CC1 ZINC000582961711 329290147 /nfs/dbraw/zinc/29/01/47/329290147.db2.gz AGLUHZFKJJGPMW-GFCCVEGCSA-N 1 3 268.405 -0.133 20 0 CBADHO COC[C@@]1(C(=O)NCCOCCN(C)C)CC[NH2+]C1 ZINC000388777868 328301519 /nfs/dbraw/zinc/30/15/19/328301519.db2.gz MSTSFYBEACWOBY-CYBMUJFWSA-N 1 3 273.377 -0.693 20 0 CBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000569344474 327102578 /nfs/dbraw/zinc/10/25/78/327102578.db2.gz NKEJSYXJZBKSRJ-OJAKKHQRSA-N 1 3 267.373 -0.038 20 0 CBADHO CN1CC[C@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566171325 327155173 /nfs/dbraw/zinc/15/51/73/327155173.db2.gz LKVVEXWEGANGKQ-VXGBXAGGSA-N 1 3 292.387 -0.288 20 0 CBADHO CO[C@H](CN)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000566178604 327157689 /nfs/dbraw/zinc/15/76/89/327157689.db2.gz BDAVUKKBXKWZBO-NWDGAFQWSA-N 1 3 273.377 -0.831 20 0 CBADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N(C)C1CC1 ZINC000564653391 327160328 /nfs/dbraw/zinc/16/03/28/327160328.db2.gz VFDZJKGKYBYSGS-SNVBAGLBSA-N 1 3 280.376 -0.161 20 0 CBADHO NC(C(=O)NC[C@H]1C[NH2+]CCCO1)C(F)(F)F ZINC000569483593 327184440 /nfs/dbraw/zinc/18/44/40/327184440.db2.gz SRLBVEJWCMQWAS-RQJHMYQMSA-N 1 3 255.240 -0.629 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000569481687 327184234 /nfs/dbraw/zinc/18/42/34/327184234.db2.gz OEWGXNJTYATQPQ-ZDUSSCGKSA-N 1 3 270.421 -0.062 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C3([NH3+])CCCCC3)CCN2C1=O ZINC000572617733 327196561 /nfs/dbraw/zinc/19/65/61/327196561.db2.gz GDWISRMOSZQLHV-WDEREUQCSA-N 1 3 280.372 -0.582 20 0 CBADHO CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@@H](CN)C1 ZINC000564944433 327247492 /nfs/dbraw/zinc/24/74/92/327247492.db2.gz PXKIWVSFLWGTNU-MNOVXSKESA-N 1 3 292.387 -0.799 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566252568 327263075 /nfs/dbraw/zinc/26/30/75/327263075.db2.gz BLLZOJJMMZBANO-TZMCWYRMSA-N 1 3 267.373 -0.033 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000564992019 327344452 /nfs/dbraw/zinc/34/44/52/327344452.db2.gz DKFUDCVEJVARAG-FOGDFJRCSA-N 1 3 270.377 -0.718 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CN1C1CC1 ZINC000582476368 329094741 /nfs/dbraw/zinc/09/47/41/329094741.db2.gz UDESODIIRFSHDQ-YRGRVCCFSA-N 1 3 295.431 -0.186 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000582547215 329105398 /nfs/dbraw/zinc/10/53/98/329105398.db2.gz REVRNCCYNRIKCL-LBPRGKRZSA-N 1 3 284.404 -0.408 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582604805 329114792 /nfs/dbraw/zinc/11/47/92/329114792.db2.gz GCDOBTFUULDGBU-GRYCIOLGSA-N 1 3 255.362 -0.192 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000582733570 329133407 /nfs/dbraw/zinc/13/34/07/329133407.db2.gz HBJBPIXRUOAHDV-QWHCGFSZSA-N 1 3 259.394 -0.439 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000582733570 329133408 /nfs/dbraw/zinc/13/34/08/329133408.db2.gz HBJBPIXRUOAHDV-QWHCGFSZSA-N 1 3 259.394 -0.439 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000583202221 329361537 /nfs/dbraw/zinc/36/15/37/329361537.db2.gz HNLOKANVYCQAHC-TUAOUCFPSA-N 1 3 253.346 -0.425 20 0 CBADHO N[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000583870666 329523003 /nfs/dbraw/zinc/52/30/03/329523003.db2.gz JYIUVKQWSSYJOD-STQMWFEESA-N 1 3 290.367 -0.329 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000580432365 330131769 /nfs/dbraw/zinc/13/17/69/330131769.db2.gz CHXSHPIWUHGVFQ-SCZZXKLOSA-N 1 3 292.330 -0.801 20 0 CBADHO CC1CCN(CCNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000575852684 335123614 /nfs/dbraw/zinc/12/36/14/335123614.db2.gz MCMNXSCNCZQQBG-CQSZACIVSA-N 1 3 297.447 -0.079 20 0 CBADHO CCN(C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000575919914 335131015 /nfs/dbraw/zinc/13/10/15/335131015.db2.gz DFPSXFFOADZJNZ-UHFFFAOYSA-N 1 3 254.338 -0.692 20 0 CBADHO CCN(CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000576160438 335162523 /nfs/dbraw/zinc/16/25/23/335162523.db2.gz HFMXKYIUGBRPIK-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO O=C(CCOC1CNC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000564321099 334089677 /nfs/dbraw/zinc/08/96/77/334089677.db2.gz NVWUIMSIMLMDSG-NSHDSACASA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000564334190 334128847 /nfs/dbraw/zinc/12/88/47/334128847.db2.gz CVHUVENFZBXONW-TUAOUCFPSA-N 1 3 284.404 -0.362 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(C(=O)NC)C1 ZINC000564341240 334141378 /nfs/dbraw/zinc/14/13/78/334141378.db2.gz AAYFKRKLEDECJO-DGCLKSJQSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(C(=O)NC)C1 ZINC000564341240 334141379 /nfs/dbraw/zinc/14/13/79/334141379.db2.gz AAYFKRKLEDECJO-DGCLKSJQSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564956914 334530298 /nfs/dbraw/zinc/53/02/98/334530298.db2.gz XQVWYGIBEUVCSQ-QWRGUYRKSA-N 1 3 255.362 -0.062 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000565364876 334556579 /nfs/dbraw/zinc/55/65/79/334556579.db2.gz OJXQPKUYLUAQHM-QFOLPQNPSA-N 1 3 271.361 -0.230 20 0 CBADHO [NH3+]CC[C@@H](NC(=O)CNC[C@H]1CCCO1)C(F)F ZINC000565891040 334606557 /nfs/dbraw/zinc/60/65/57/334606557.db2.gz HHMIPCPPXOBQIJ-RKDXNWHRSA-N 1 3 265.304 -0.146 20 0 CBADHO CO[C@H](CN)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567669686 334749912 /nfs/dbraw/zinc/74/99/12/334749912.db2.gz BCARUOGEWOBXLL-LLVKDONJSA-N 1 3 279.344 -0.597 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)CNC2CC2)CC1 ZINC000568150727 334796160 /nfs/dbraw/zinc/79/61/60/334796160.db2.gz TVRVGGCHDANNBX-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO CCC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568267714 334810826 /nfs/dbraw/zinc/81/08/26/334810826.db2.gz LONQKSREJCTVAB-VWYCJHECSA-N 1 3 268.361 -0.855 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000568766844 334840093 /nfs/dbraw/zinc/84/00/93/334840093.db2.gz HRLFPSVPSFVKDR-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO NC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCCC1 ZINC000572763176 334876514 /nfs/dbraw/zinc/87/65/14/334876514.db2.gz RFSDULZKYZPJFP-GFCCVEGCSA-N 1 3 296.415 -0.039 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@](C)(O)CN(C)C ZINC000572999143 334899560 /nfs/dbraw/zinc/89/95/60/334899560.db2.gz IAGZIZFIUSOTCG-JBLDHEPKSA-N 1 3 260.382 -0.276 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000576480851 335210371 /nfs/dbraw/zinc/21/03/71/335210371.db2.gz WMZGWODCMAIZPC-LLVKDONJSA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC1CNC1)C[NH+]1CCCCC1 ZINC000576809460 335249987 /nfs/dbraw/zinc/24/99/87/335249987.db2.gz URXSGYLNNLXLDF-LLVKDONJSA-N 1 3 282.388 -0.687 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000576826872 335252926 /nfs/dbraw/zinc/25/29/26/335252926.db2.gz UYVMHOFSEUMBHC-LOWVWBTDSA-N 1 3 282.388 -0.846 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000580565455 335287378 /nfs/dbraw/zinc/28/73/78/335287378.db2.gz NBSIIEZSFYHUFK-AAEUAGOBSA-N 1 3 282.388 -0.561 20 0 CBADHO CC1(C)CC(NC(=O)C(=O)NC2CNC2)CC(C)(C)[NH2+]1 ZINC000577370345 335343534 /nfs/dbraw/zinc/34/35/34/335343534.db2.gz MEQJPIUGKDBBRC-UHFFFAOYSA-N 1 3 282.388 -0.500 20 0 CBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CNC1 ZINC000577370430 335343776 /nfs/dbraw/zinc/34/37/76/335343776.db2.gz CTACOQHHPBACDJ-UHFFFAOYSA-N 1 3 270.377 -0.735 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000577748849 335396711 /nfs/dbraw/zinc/39/67/11/335396711.db2.gz VXEGCNCNPFGRCD-WOPDTQHZSA-N 1 3 271.361 -0.718 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000577866510 335414450 /nfs/dbraw/zinc/41/44/50/335414450.db2.gz SCONUDHTTGCLET-CYBMUJFWSA-N 1 3 287.404 -0.081 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578551985 335649085 /nfs/dbraw/zinc/64/90/85/335649085.db2.gz VCSSHZDDGUWGMN-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+](C)CCN1C(=O)C[C@H](NCCn2cccn2)C1=O ZINC000578879446 335683965 /nfs/dbraw/zinc/68/39/65/335683965.db2.gz VLZHHTTVHYLASX-NSHDSACASA-N 1 3 279.344 -0.838 20 0 CBADHO O=C(COC1CNC1)NCC[NH+]1CCCCCC1 ZINC000579348557 335737039 /nfs/dbraw/zinc/73/70/39/335737039.db2.gz SCDZBSJYTGEPFA-UHFFFAOYSA-N 1 3 255.362 -0.033 20 0 CBADHO CO[C@H]1CCN(C(=O)CCOC2CNC2)[C@H](C[NH3+])C1 ZINC000579946029 335933883 /nfs/dbraw/zinc/93/38/83/335933883.db2.gz MENYVISKJPQQSH-QWRGUYRKSA-N 1 3 271.361 -0.670 20 0 CBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000581072537 336004510 /nfs/dbraw/zinc/00/45/10/336004510.db2.gz UDYHHXROFUAJMS-KGLIPLIRSA-N 1 3 268.357 -0.266 20 0 CBADHO COC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000581186578 336020921 /nfs/dbraw/zinc/02/09/21/336020921.db2.gz QHZTWIHKBQRCAS-GFCCVEGCSA-N 1 3 259.394 -0.391 20 0 CBADHO COC(=O)CCNC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000581250991 336031980 /nfs/dbraw/zinc/03/19/80/336031980.db2.gz CUADVNLCZBNOIB-UHFFFAOYSA-N 1 3 283.372 -0.259 20 0 CBADHO CN1CCN(C(=O)NC[C@H](N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300012 336041563 /nfs/dbraw/zinc/04/15/63/336041563.db2.gz FBEQERHLQFBRKD-KGLIPLIRSA-N 1 3 291.399 -0.029 20 0 CBADHO Cn1ccnc1[C@@H]1CNCCN1CCOCC[NH3+] ZINC000581489621 336088542 /nfs/dbraw/zinc/08/85/42/336088542.db2.gz YHFDIESZAYCZLE-NSHDSACASA-N 1 3 253.350 -0.658 20 0 CBADHO COCCN(C)C[C@H](O)CN(C)CC[NH+]1CCCC1 ZINC000382468440 336091174 /nfs/dbraw/zinc/09/11/74/336091174.db2.gz AWDNTHRFLATABN-CQSZACIVSA-N 1 3 273.421 -0.047 20 0 CBADHO CC(C)[C@H](CNC(=O)COC1C[NH2+]C1)N1CCN(C)CC1 ZINC000581882233 336158720 /nfs/dbraw/zinc/15/87/20/336158720.db2.gz KFDZUUAUYGVGMU-AWEZNQCLSA-N 1 3 298.431 -0.637 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@@H+]1C ZINC000343286214 533934431 /nfs/dbraw/zinc/93/44/31/533934431.db2.gz XORIQPXPXZPCFF-MCIONIFRSA-N 1 3 280.416 -0.025 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC[N@H+]1C ZINC000343286214 533934438 /nfs/dbraw/zinc/93/44/38/533934438.db2.gz XORIQPXPXZPCFF-MCIONIFRSA-N 1 3 280.416 -0.025 20 0 CBADHO COCCN(C)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000061378600 523605065 /nfs/dbraw/zinc/60/50/65/523605065.db2.gz CAXOWLXSIJUSDF-ZDUSSCGKSA-N 1 3 259.394 -0.389 20 0 CBADHO C[C@H](C(=O)NC1CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176371 526024079 /nfs/dbraw/zinc/02/40/79/526024079.db2.gz SRHYEMINTYZBQQ-GHMZBOCLSA-N 1 3 282.388 -0.560 20 0 CBADHO COCCCN(C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000357252285 536507722 /nfs/dbraw/zinc/50/77/22/536507722.db2.gz WFTCOHDGKGSKMZ-LLVKDONJSA-N 1 3 257.378 -0.074 20 0 CBADHO CC[N@H+](CCNC(=O)C(=O)NCCN(C)C1CC1)C1CC1 ZINC000343312810 528480025 /nfs/dbraw/zinc/48/00/25/528480025.db2.gz QGUWHHHKETVYLJ-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[N@@H+](CCNC(=O)C(=O)NCCN(C)C1CC1)C1CC1 ZINC000343312810 528480029 /nfs/dbraw/zinc/48/00/29/528480029.db2.gz QGUWHHHKETVYLJ-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354678678 529050616 /nfs/dbraw/zinc/05/06/16/529050616.db2.gz PYEHDIAFMDQLPJ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354678686 529087569 /nfs/dbraw/zinc/08/75/69/529087569.db2.gz PYEHDIAFMDQLPJ-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357303217 535052673 /nfs/dbraw/zinc/05/26/73/535052673.db2.gz IHQZEVWIQLQANE-JULQROHOSA-N 1 3 284.404 -0.411 20 0 CBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236882522 535705004 /nfs/dbraw/zinc/70/50/04/535705004.db2.gz LMSLUGXWRHVLFJ-KBPBESRZSA-N 1 3 282.432 -0.014 20 0 CBADHO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H]2COCCN2)CC1 ZINC000357225464 535726849 /nfs/dbraw/zinc/72/68/49/535726849.db2.gz NIUKYHKFYSFESZ-KBPBESRZSA-N 1 3 298.431 -0.493 20 0 CBADHO CC[C@H]1CN(CCOCC[NH3+])CCN1C[C@H](C)O ZINC000357077969 536151304 /nfs/dbraw/zinc/15/13/04/536151304.db2.gz JOPUVZVYDIVBGN-STQMWFEESA-N 1 3 259.394 -0.261 20 0 CBADHO CN1CCC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758143 582115550 /nfs/dbraw/zinc/11/55/50/582115550.db2.gz TVXDREPYCJPVOA-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO O[C@@H](CN1CCN([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCCC1 ZINC000732871548 582161280 /nfs/dbraw/zinc/16/12/80/582161280.db2.gz JZITVLMVJBDFBB-PMPSAXMXSA-N 1 3 297.443 -0.026 20 0 CBADHO CN(CCNC(=O)C1CC[NH+](C)CC1)CCOCCO ZINC000739911713 582263730 /nfs/dbraw/zinc/26/37/30/582263730.db2.gz ASHPVHVXRHQISY-UHFFFAOYSA-N 1 3 287.404 -0.615 20 0 CBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)C2CC2)C1 ZINC000819004019 582524759 /nfs/dbraw/zinc/52/47/59/582524759.db2.gz JOLWILOZCLXSOD-CHWSQXEVSA-N 1 3 269.389 -0.066 20 0 CBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)C2CC2)C1 ZINC000819004019 582524761 /nfs/dbraw/zinc/52/47/61/582524761.db2.gz JOLWILOZCLXSOD-CHWSQXEVSA-N 1 3 269.389 -0.066 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000823615104 582675452 /nfs/dbraw/zinc/67/54/52/582675452.db2.gz AXENEJUNULJIAK-ZDEQEGDKSA-N 1 3 298.431 -0.245 20 0 CBADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000823615104 582675454 /nfs/dbraw/zinc/67/54/54/582675454.db2.gz AXENEJUNULJIAK-ZDEQEGDKSA-N 1 3 298.431 -0.245 20 0 CBADHO CC(C)(C)[NH2+]CCC(=O)NCCN1CC[C@H](O)C1 ZINC000827749125 582831480 /nfs/dbraw/zinc/83/14/80/582831480.db2.gz DVGBVUXMONTJIF-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1CNCCO1 ZINC000831970729 583008808 /nfs/dbraw/zinc/00/88/08/583008808.db2.gz KUCXUNRHVAACBF-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1CNCCO1 ZINC000831970729 583008811 /nfs/dbraw/zinc/00/88/11/583008811.db2.gz KUCXUNRHVAACBF-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000831971417 583009238 /nfs/dbraw/zinc/00/92/38/583009238.db2.gz XGJZNRSARQGUSJ-OLZOCXBDSA-N 1 3 296.415 -0.155 20 0 CBADHO C[NH2+][C@@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000832554724 583029942 /nfs/dbraw/zinc/02/99/42/583029942.db2.gz RAVVPAAZMZPYJB-SECBINFHSA-N 1 3 263.345 -0.121 20 0 CBADHO CN1CCN(C(=O)c2cccc(CN)c2)[C@H](C[NH3+])C1 ZINC000834299113 583119767 /nfs/dbraw/zinc/11/97/67/583119767.db2.gz KFHVFBINVXZMKJ-CYBMUJFWSA-N 1 3 262.357 -0.140 20 0 CBADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1[nH]nc2c1CNCC2 ZINC000834845733 583137291 /nfs/dbraw/zinc/13/72/91/583137291.db2.gz GFAFYZZJHMVSJV-SECBINFHSA-N 1 3 285.298 -0.218 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000834861185 583137992 /nfs/dbraw/zinc/13/79/92/583137992.db2.gz GGSAWCNUKYFPQD-IUCAKERBSA-N 1 3 263.345 -0.087 20 0 CBADHO C[C@H](CNC(=O)N(CC[NH3+])CCO)N1CCCCC1 ZINC000841726497 583173354 /nfs/dbraw/zinc/17/33/54/583173354.db2.gz RRNISDJWHHUSLM-GFCCVEGCSA-N 1 3 272.393 -0.177 20 0 CBADHO CN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CC([NH3+])C1 ZINC000841790481 583173966 /nfs/dbraw/zinc/17/39/66/583173966.db2.gz XIBNWFVLYXLXEN-MVKMKZAISA-N 1 3 282.388 -0.019 20 0 CBADHO O=C(NCC[NH2+]C1CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841790189 583174013 /nfs/dbraw/zinc/17/40/13/583174013.db2.gz AJDYWQUGAHQDSK-CHWSQXEVSA-N 1 3 282.388 -0.099 20 0 CBADHO CC1(C)CNCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841849062 583174917 /nfs/dbraw/zinc/17/49/17/583174917.db2.gz ONTCRUVLEFEUDQ-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CC1(C)CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCN1 ZINC000841854972 583175357 /nfs/dbraw/zinc/17/53/57/583175357.db2.gz DBUBFZLIZFKGCK-LLVKDONJSA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000842014928 583177669 /nfs/dbraw/zinc/17/76/69/583177669.db2.gz GOIXFLDIEPQVHG-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CCCCC1 ZINC000842016015 583177960 /nfs/dbraw/zinc/17/79/60/583177960.db2.gz QMERSUUDOKSACG-FRRDWIJNSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCCCC1 ZINC000842015449 583178230 /nfs/dbraw/zinc/17/82/30/583178230.db2.gz LMJDNJDEOFSXCQ-LBPRGKRZSA-N 1 3 296.415 -0.155 20 0 CBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000842255031 583182213 /nfs/dbraw/zinc/18/22/13/583182213.db2.gz QKPVTWXQODNVND-WDEREUQCSA-N 1 3 270.377 -0.561 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)[C@@]3(F)CCNC3)C[C@H]2[NH3+])cn1 ZINC000842514610 583184926 /nfs/dbraw/zinc/18/49/26/583184926.db2.gz GDKOOKBJWZHWKW-DMDPSCGWSA-N 1 3 281.335 -0.625 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000843338588 583210457 /nfs/dbraw/zinc/21/04/57/583210457.db2.gz SXRGGJOJQUOTDP-LLVKDONJSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@@H](NC(=O)CN(C)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000843355417 583212062 /nfs/dbraw/zinc/21/20/62/583212062.db2.gz NXNRTJVTYKVGLJ-VOMCLLRMSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](N)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843472228 583224552 /nfs/dbraw/zinc/22/45/52/583224552.db2.gz XLRFABLYTVWOKR-MRVPVSSYSA-N 1 3 250.302 -0.339 20 0 CBADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000843482285 583226908 /nfs/dbraw/zinc/22/69/08/583226908.db2.gz PMPRICGOWRZKON-DCAQKATOSA-N 1 3 259.325 -0.429 20 0 CBADHO CC[NH2+]CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000843493805 583228837 /nfs/dbraw/zinc/22/88/37/583228837.db2.gz PHNNUVWNNICYHB-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CN(CCNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000844175166 583257254 /nfs/dbraw/zinc/25/72/54/583257254.db2.gz CELNMMONSMTUFM-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000844179004 583257878 /nfs/dbraw/zinc/25/78/78/583257878.db2.gz CLHONJJPYASAEF-MGPQQGTHSA-N 1 3 297.399 -0.266 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181467 583258468 /nfs/dbraw/zinc/25/84/68/583258468.db2.gz RFFJPMUEUBNULD-KGLIPLIRSA-N 1 3 299.415 -0.018 20 0 CBADHO CC[NH2+]CC(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000844190908 583259997 /nfs/dbraw/zinc/25/99/97/583259997.db2.gz FNZQTOBMZMXPDH-GFCCVEGCSA-N 1 3 256.394 -0.262 20 0 CBADHO CC[NH2+]CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000844192053 583260089 /nfs/dbraw/zinc/26/00/89/583260089.db2.gz GCCPDABEBRGREL-LBPRGKRZSA-N 1 3 256.394 -0.404 20 0 CBADHO COC1CCN(CCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844189411 583260144 /nfs/dbraw/zinc/26/01/44/583260144.db2.gz MTXCFXJUAXEFBH-AWEZNQCLSA-N 1 3 299.415 -0.018 20 0 CBADHO CN(CCCCCC[NH3+])CC(=O)N1CCNCC1 ZINC000846216883 583355548 /nfs/dbraw/zinc/35/55/48/583355548.db2.gz WYRYPQBOJQTYCZ-UHFFFAOYSA-N 1 3 256.394 -0.131 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000846344548 583359180 /nfs/dbraw/zinc/35/91/80/583359180.db2.gz SDFZXYNQAWALNT-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO COCC[NH2+]C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000846687474 583383330 /nfs/dbraw/zinc/38/33/30/583383330.db2.gz PDIXRVCRMBKKQW-CYBMUJFWSA-N 1 3 273.352 -0.085 20 0 CBADHO [NH3+]C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)C(F)(F)F ZINC000848436981 583446728 /nfs/dbraw/zinc/44/67/28/583446728.db2.gz CFLGXUYEUQDHSZ-SSDOTTSWSA-N 1 3 277.250 -0.325 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848614799 583452779 /nfs/dbraw/zinc/45/27/79/583452779.db2.gz XPQLARDNMVUCMF-TUAOUCFPSA-N 1 3 282.388 -0.417 20 0 CBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848616414 583453328 /nfs/dbraw/zinc/45/33/28/583453328.db2.gz MGZDBLJRZGDTRB-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1nnnn1C ZINC000849015767 583468237 /nfs/dbraw/zinc/46/82/37/583468237.db2.gz FFFFWEIFJBLEFL-SNVBAGLBSA-N 1 3 280.380 -0.649 20 0 CBADHO CCOCCCNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019202 583468576 /nfs/dbraw/zinc/46/85/76/583468576.db2.gz RAFBKPIKHLLWLS-GFCCVEGCSA-N 1 3 258.366 -0.406 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[NH2+]C1 ZINC000851655928 583517994 /nfs/dbraw/zinc/51/79/94/583517994.db2.gz CRAMTENYEWFRCZ-TUAOUCFPSA-N 1 3 268.361 -0.489 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000851689588 583521997 /nfs/dbraw/zinc/52/19/97/583521997.db2.gz QWLXQOSDVDIZKJ-UWVGGRQHSA-N 1 3 256.350 -0.950 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852790048 583552707 /nfs/dbraw/zinc/55/27/07/583552707.db2.gz NRRFLRZYARSVFR-NXEZZACHSA-N 1 3 254.334 -0.452 20 0 CBADHO CCCN(C(=O)C1=NO[C@@H](CN)C1)[C@@H]1CC[NH2+]C1 ZINC000852796743 583552990 /nfs/dbraw/zinc/55/29/90/583552990.db2.gz WZEDJQZTMXIAMJ-NXEZZACHSA-N 1 3 254.334 -0.310 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852854315 583561272 /nfs/dbraw/zinc/56/12/72/583561272.db2.gz DJWLERURCPOYFL-ZDUSSCGKSA-N 1 3 288.367 -0.834 20 0 CBADHO CC[NH+]1CCC(NC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852854997 583561609 /nfs/dbraw/zinc/56/16/09/583561609.db2.gz SUJJMKXYUXZYCX-SNVBAGLBSA-N 1 3 254.334 -0.310 20 0 CBADHO CC[NH+](CC)CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852854680 583561623 /nfs/dbraw/zinc/56/16/23/583561623.db2.gz MTPALBMAYUDFRR-SNVBAGLBSA-N 1 3 256.350 -0.062 20 0 CBADHO C[NH+](C)CC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852858579 583562186 /nfs/dbraw/zinc/56/21/86/583562186.db2.gz DZZIFBGFHYOPDN-NSHDSACASA-N 1 3 268.361 -0.110 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852860629 583562418 /nfs/dbraw/zinc/56/24/18/583562418.db2.gz TUPNWJWOZSSAMT-QWRGUYRKSA-N 1 3 268.361 -0.110 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852860629 583562419 /nfs/dbraw/zinc/56/24/19/583562419.db2.gz TUPNWJWOZSSAMT-QWRGUYRKSA-N 1 3 268.361 -0.110 20 0 CBADHO CCCC[N@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852863843 583563417 /nfs/dbraw/zinc/56/34/17/583563417.db2.gz SDJJLNFLLIQOJZ-JTQLQIEISA-N 1 3 256.350 -0.062 20 0 CBADHO CCCC[N@@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852863843 583563419 /nfs/dbraw/zinc/56/34/19/583563419.db2.gz SDJJLNFLLIQOJZ-JTQLQIEISA-N 1 3 256.350 -0.062 20 0 CBADHO CCC[N@H+](CC)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852869589 583564741 /nfs/dbraw/zinc/56/47/41/583564741.db2.gz IFSASBHXMPHVLS-SNVBAGLBSA-N 1 3 256.350 -0.062 20 0 CBADHO CCC[N@@H+](CC)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852869589 583564742 /nfs/dbraw/zinc/56/47/42/583564742.db2.gz IFSASBHXMPHVLS-SNVBAGLBSA-N 1 3 256.350 -0.062 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@@H+]1C ZINC000852868818 583564876 /nfs/dbraw/zinc/56/48/76/583564876.db2.gz VKXHEEYWWGLGEI-KXUCPTDWSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@H+]1C ZINC000852868818 583564878 /nfs/dbraw/zinc/56/48/78/583564878.db2.gz VKXHEEYWWGLGEI-KXUCPTDWSA-N 1 3 254.334 -0.311 20 0 CBADHO NC[C@@H]1CC(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)=NO1 ZINC000852873985 583565453 /nfs/dbraw/zinc/56/54/53/583565453.db2.gz IMFORMHOWXMBOH-UWVGGRQHSA-N 1 3 252.318 -0.557 20 0 CBADHO C[NH+](C)C1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852873894 583565646 /nfs/dbraw/zinc/56/56/46/583565646.db2.gz HGJVNRUNUNLKKZ-SNVBAGLBSA-N 1 3 254.334 -0.357 20 0 CBADHO C[C@]1(CNC(=O)C2=NO[C@H](CN)C2)CCC[NH2+]C1 ZINC000852875623 583565808 /nfs/dbraw/zinc/56/58/08/583565808.db2.gz LPUGNCOYTGCYDU-CABZTGNLSA-N 1 3 254.334 -0.404 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852875099 583565847 /nfs/dbraw/zinc/56/58/47/583565847.db2.gz SOEJJBZXDAPRFI-LLVKDONJSA-N 1 3 268.361 -0.062 20 0 CBADHO C[NH2+]CCC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852875100 583565867 /nfs/dbraw/zinc/56/58/67/583565867.db2.gz SOEJJBZXDAPRFI-NSHDSACASA-N 1 3 268.361 -0.062 20 0 CBADHO CC1(CNC(=O)C2=NO[C@H](CN)C2)CC[NH2+]CC1 ZINC000852875954 583566115 /nfs/dbraw/zinc/56/61/15/583566115.db2.gz UKIONPBYIWQVNA-VIFPVBQESA-N 1 3 254.334 -0.404 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852878846 583566459 /nfs/dbraw/zinc/56/64/59/583566459.db2.gz ADFGQLNKKRWRQC-GWCFXTLKSA-N 1 3 266.345 -0.308 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCC[C@@H](CC[NH3+])C2)=NO1 ZINC000852879798 583566807 /nfs/dbraw/zinc/56/68/07/583566807.db2.gz ZMWVDNKHNWMBCY-VHSXEESVSA-N 1 3 254.334 -0.323 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000852881538 583567137 /nfs/dbraw/zinc/56/71/37/583567137.db2.gz MHOLHWTUKHECKS-CIUDSAMLSA-N 1 3 263.288 -0.536 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852882675 583567449 /nfs/dbraw/zinc/56/74/49/583567449.db2.gz NYMNWVPGSQZSBA-ATZCPNFKSA-N 1 3 252.318 -0.700 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)=NO1 ZINC000852893775 583570677 /nfs/dbraw/zinc/57/06/77/583570677.db2.gz JUTSAHIHACYSEF-GXSJLCMTSA-N 1 3 266.345 -0.119 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC(CC[NH3+])CC2)=NO1 ZINC000852896236 583571248 /nfs/dbraw/zinc/57/12/48/583571248.db2.gz WAMSIQDKIWVTNV-JTQLQIEISA-N 1 3 254.334 -0.323 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852924826 583575266 /nfs/dbraw/zinc/57/52/66/583575266.db2.gz UZSMXECLAWSIQD-NEPJUHHUSA-N 1 3 298.387 -0.341 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000857107339 583665032 /nfs/dbraw/zinc/66/50/32/583665032.db2.gz RRJGMTBDFYVQLD-GARJFASQSA-N 1 3 256.350 -0.816 20 0 CBADHO CN(CCOCC[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000861646225 583775273 /nfs/dbraw/zinc/77/52/73/583775273.db2.gz OVZIBFULXBRJAZ-VIFPVBQESA-N 1 3 280.319 -0.400 20 0 CBADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861647049 583775455 /nfs/dbraw/zinc/77/54/55/583775455.db2.gz ZKCATNMSHGRJJE-VHSXEESVSA-N 1 3 292.330 -0.651 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000861729305 583781644 /nfs/dbraw/zinc/78/16/44/583781644.db2.gz RPSLIIHJJSBGCS-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744719 583783263 /nfs/dbraw/zinc/78/32/63/583783263.db2.gz ODCRIKAPOCVNPL-NEPJUHHUSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861753493 583784188 /nfs/dbraw/zinc/78/41/88/583784188.db2.gz XWXYTENSNPYRDC-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000861763219 583785070 /nfs/dbraw/zinc/78/50/70/583785070.db2.gz MGEKIAYFUYGOKH-NXEZZACHSA-N 1 3 270.377 -0.609 20 0 CBADHO C[NH+](C)CCNC(=S)NCCN1CC[C@@H](O)C1 ZINC000863236619 583835257 /nfs/dbraw/zinc/83/52/57/583835257.db2.gz NYCBHMVQXHNEOF-SNVBAGLBSA-N 1 3 260.407 -0.921 20 0 CBADHO C[NH+]1CCC(NC(=S)NCCN2CC[C@H](O)C2)CC1 ZINC000863252789 583835647 /nfs/dbraw/zinc/83/56/47/583835647.db2.gz AUVLZQFSHKZPFO-LBPRGKRZSA-N 1 3 286.445 -0.389 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000863751665 583852637 /nfs/dbraw/zinc/85/26/37/583852637.db2.gz NCYDJHXZRMAAEM-QWRGUYRKSA-N 1 3 270.377 -0.655 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000863768694 583855208 /nfs/dbraw/zinc/85/52/08/583855208.db2.gz RUXNVHIIHHPCRI-NSHDSACASA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H]1C[C@H](NC[C@]23COCCN2C(=O)COC3)CC[N@@H+]1C ZINC000866554169 583924025 /nfs/dbraw/zinc/92/40/25/583924025.db2.gz GAZPJVIPFBMPAU-UMVBOHGHSA-N 1 3 297.399 -0.314 20 0 CBADHO C[C@@H]1C[C@H](NC[C@]23COCCN2C(=O)COC3)CC[N@H+]1C ZINC000866554169 583924027 /nfs/dbraw/zinc/92/40/27/583924027.db2.gz GAZPJVIPFBMPAU-UMVBOHGHSA-N 1 3 297.399 -0.314 20 0 CBADHO CC1(C)CC[NH2+]CCN1CCC(=O)N1CCNCC1 ZINC000866699338 583927568 /nfs/dbraw/zinc/92/75/68/583927568.db2.gz LQPMNGZAKVMBBH-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CC1(C)CCNCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000866699338 583927571 /nfs/dbraw/zinc/92/75/71/583927571.db2.gz LQPMNGZAKVMBBH-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CC1(C)CCNCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000866699338 583927572 /nfs/dbraw/zinc/92/75/72/583927572.db2.gz LQPMNGZAKVMBBH-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@H]2C1=O ZINC000866702043 583927825 /nfs/dbraw/zinc/92/78/25/583927825.db2.gz SQPKLEXRNZAEID-GARJFASQSA-N 1 3 251.330 -0.467 20 0 CBADHO CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCCNC3)C[C@H]2C1=O ZINC000866702043 583927826 /nfs/dbraw/zinc/92/78/26/583927826.db2.gz SQPKLEXRNZAEID-GARJFASQSA-N 1 3 251.330 -0.467 20 0 CBADHO CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCCNC3)C[C@H]2C1=O ZINC000866702043 583927827 /nfs/dbraw/zinc/92/78/27/583927827.db2.gz SQPKLEXRNZAEID-GARJFASQSA-N 1 3 251.330 -0.467 20 0 CBADHO O=C1NCCO[C@@H]2CCCN(CC[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717910 583928728 /nfs/dbraw/zinc/92/87/28/583928728.db2.gz TZTTZYAGNZOKRU-YNEHKIRRSA-N 1 3 267.373 -0.035 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000868386689 583976633 /nfs/dbraw/zinc/97/66/33/583976633.db2.gz KNAUPMUFLXFSBC-QWHCGFSZSA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000868386689 583976634 /nfs/dbraw/zinc/97/66/34/583976634.db2.gz KNAUPMUFLXFSBC-QWHCGFSZSA-N 1 3 294.399 -0.639 20 0 CBADHO COCCNCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974705 584023661 /nfs/dbraw/zinc/02/36/61/584023661.db2.gz OVRZWKXPDPBVKD-ZSBIGDGJSA-N 1 3 255.362 -0.131 20 0 CBADHO COCCN(C)C(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000871603957 584043443 /nfs/dbraw/zinc/04/34/43/584043443.db2.gz NYGPRAREGWMONK-RYUDHWBXSA-N 1 3 270.377 -0.048 20 0 CBADHO Cn1nnnc1C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146226 584048279 /nfs/dbraw/zinc/04/82/79/584048279.db2.gz IPZBRVVWFNALGW-GFCCVEGCSA-N 1 3 292.387 -0.090 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872186078 584048660 /nfs/dbraw/zinc/04/86/60/584048660.db2.gz HMHCUKYBKWHHRK-SMDDNHRTSA-N 1 3 282.388 -0.926 20 0 CBADHO CC(C)(O)C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000872213634 584050483 /nfs/dbraw/zinc/05/04/83/584050483.db2.gz VFKUWCQKAPOJCA-NEPJUHHUSA-N 1 3 260.378 -0.445 20 0 CBADHO O=C1OC[C@]2(C[NH2+]C[C@H](O)CN3CCCC3)COCCN12 ZINC000872227455 584051505 /nfs/dbraw/zinc/05/15/05/584051505.db2.gz FHPYSCQBEZMTAL-JSGCOSHPSA-N 1 3 299.371 -0.746 20 0 CBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000872276719 584053014 /nfs/dbraw/zinc/05/30/14/584053014.db2.gz QREOKTJQOGDWCX-VHSXEESVSA-N 1 3 268.361 -0.016 20 0 CBADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873250926 584069290 /nfs/dbraw/zinc/06/92/90/584069290.db2.gz UCIXNQSDYHWDOG-CKYFFXLPSA-N 1 3 255.318 -0.323 20 0 CBADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873265389 584069506 /nfs/dbraw/zinc/06/95/06/584069506.db2.gz HOIASCSHEIBATD-WZRBSPASSA-N 1 3 269.345 -0.916 20 0 CBADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873265387 584069572 /nfs/dbraw/zinc/06/95/72/584069572.db2.gz HOIASCSHEIBATD-NTZNESFSSA-N 1 3 269.345 -0.916 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000873267158 584069874 /nfs/dbraw/zinc/06/98/74/584069874.db2.gz WXVYJSNZJWCCCG-GZBFAFLISA-N 1 3 297.399 -0.279 20 0 CBADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267158 584069876 /nfs/dbraw/zinc/06/98/76/584069876.db2.gz WXVYJSNZJWCCCG-GZBFAFLISA-N 1 3 297.399 -0.279 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000876519445 584130882 /nfs/dbraw/zinc/13/08/82/584130882.db2.gz DIKUOZAKTGSOKR-LBPRGKRZSA-N 1 3 292.387 -0.681 20 0 CBADHO C[C@H]1CN(C(=O)c2c(C[NH3+])cnn2C)C[C@H](C)N1 ZINC000876531202 584131809 /nfs/dbraw/zinc/13/18/09/584131809.db2.gz YPQVGPKAKFEPIT-IUCAKERBSA-N 1 3 251.334 -0.299 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532995 584131844 /nfs/dbraw/zinc/13/18/44/584131844.db2.gz NLOCHDMAZNQLIL-RYUDHWBXSA-N 1 3 256.394 -0.101 20 0 CBADHO C[NH+](C)C[C@H](N)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000876765766 584143234 /nfs/dbraw/zinc/14/32/34/584143234.db2.gz ZUWUFYDJLSFFSX-AWEZNQCLSA-N 1 3 298.431 -0.554 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876786867 584144549 /nfs/dbraw/zinc/14/45/49/584144549.db2.gz QDXNCQDJHHXHGE-STQMWFEESA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000876787556 584144580 /nfs/dbraw/zinc/14/45/80/584144580.db2.gz VEVJMRDMNABVMQ-RWMBFGLXSA-N 1 3 268.405 -0.134 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000876885253 584153170 /nfs/dbraw/zinc/15/31/70/584153170.db2.gz KNAFNLSOYJOJIO-AGIUHOORSA-N 1 3 268.405 -0.182 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876885253 584153171 /nfs/dbraw/zinc/15/31/71/584153171.db2.gz KNAFNLSOYJOJIO-AGIUHOORSA-N 1 3 268.405 -0.182 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924991 584155934 /nfs/dbraw/zinc/15/59/34/584155934.db2.gz YWGZLJAANWJPOA-CYBMUJFWSA-N 1 3 252.362 -0.754 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876942018 584156927 /nfs/dbraw/zinc/15/69/27/584156927.db2.gz OHZLFBIGVJDMEW-AKJDGMEZSA-N 1 3 254.378 -0.395 20 0 CBADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1CC[NH3+] ZINC000876949006 584157657 /nfs/dbraw/zinc/15/76/57/584157657.db2.gz NQHJUEMLSZIYGO-GRYCIOLGSA-N 1 3 256.394 -0.149 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877016686 584161720 /nfs/dbraw/zinc/16/17/20/584161720.db2.gz BSPZSSNNXYZNQQ-UTLUCORTSA-N 1 3 296.337 -0.139 20 0 CBADHO CCN1CCN(CCC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000877102538 584166068 /nfs/dbraw/zinc/16/60/68/584166068.db2.gz JYMWRMJEOZBHPQ-LBPRGKRZSA-N 1 3 256.394 -0.180 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877160065 584168505 /nfs/dbraw/zinc/16/85/05/584168505.db2.gz QVXYSAKIVGYVGY-KGLIPLIRSA-N 1 3 278.400 -0.048 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CC[C@@H]21 ZINC000877251116 584172833 /nfs/dbraw/zinc/17/28/33/584172833.db2.gz YOSYHDGZOOWJQG-NOOOWODRSA-N 1 3 253.346 -0.345 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CC[C@@H]21 ZINC000877251116 584172835 /nfs/dbraw/zinc/17/28/35/584172835.db2.gz YOSYHDGZOOWJQG-NOOOWODRSA-N 1 3 253.346 -0.345 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250961 584172843 /nfs/dbraw/zinc/17/28/43/584172843.db2.gz UZRGNTNTUSPQKW-WOPDTQHZSA-N 1 3 254.378 -0.572 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250961 584172844 /nfs/dbraw/zinc/17/28/44/584172844.db2.gz UZRGNTNTUSPQKW-WOPDTQHZSA-N 1 3 254.378 -0.572 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877273255 584175214 /nfs/dbraw/zinc/17/52/14/584175214.db2.gz NKPGJZSBZZWAMO-NWDGAFQWSA-N 1 3 252.362 -0.756 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279876 584175708 /nfs/dbraw/zinc/17/57/08/584175708.db2.gz AECSJHMYSZSELP-GVXVVHGQSA-N 1 3 282.388 -0.561 20 0 CBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877338545 584179102 /nfs/dbraw/zinc/17/91/02/584179102.db2.gz HDBSNSHWBKVOMR-MJBXVCDLSA-N 1 3 275.352 -0.067 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000877451533 584182365 /nfs/dbraw/zinc/18/23/65/584182365.db2.gz QJRXJUWDGZOOSH-SCRDCRAPSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000877451533 584182367 /nfs/dbraw/zinc/18/23/67/584182367.db2.gz QJRXJUWDGZOOSH-SCRDCRAPSA-N 1 3 296.415 -0.219 20 0 CBADHO CN1CCC(NC(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000878420545 584202269 /nfs/dbraw/zinc/20/22/69/584202269.db2.gz QNMRSWSBFFHUEJ-CYBMUJFWSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CN2CCCC2)CC[N@@H+]1C ZINC000879990632 584258027 /nfs/dbraw/zinc/25/80/27/584258027.db2.gz DXBJPOXBSSBTRQ-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CN2CCCC2)CC[N@H+]1C ZINC000879990632 584258029 /nfs/dbraw/zinc/25/80/29/584258029.db2.gz DXBJPOXBSSBTRQ-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO COCC[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000884021597 584356106 /nfs/dbraw/zinc/35/61/06/584356106.db2.gz FTZBLVFMWNNUFI-LBPRGKRZSA-N 1 3 293.371 -0.207 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884022293 584356162 /nfs/dbraw/zinc/35/61/62/584356162.db2.gz DDJDQWFWMLQDDN-NSHDSACASA-N 1 3 277.372 -0.042 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884032528 584356591 /nfs/dbraw/zinc/35/65/91/584356591.db2.gz UXGXUWMCPWPKLB-NSHDSACASA-N 1 3 277.372 -0.090 20 0 CBADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884213781 584367589 /nfs/dbraw/zinc/36/75/89/584367589.db2.gz KYMQEHSBEPGVRM-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884238941 584369432 /nfs/dbraw/zinc/36/94/32/584369432.db2.gz KOUFIHNLUYUWCQ-SRVKXCTJSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C(NCC1C[NH2+]C1)c1ccnc(N2CCNCC2)c1 ZINC000884241662 584369468 /nfs/dbraw/zinc/36/94/68/584369468.db2.gz UWRFJPFNOHKOME-UHFFFAOYSA-N 1 3 275.356 -0.560 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884275007 584371643 /nfs/dbraw/zinc/37/16/43/584371643.db2.gz ZZXYHMKMIFSUJF-SNVBAGLBSA-N 1 3 263.345 -0.432 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000884316176 584373712 /nfs/dbraw/zinc/37/37/12/584373712.db2.gz LOUMVFYLQIESON-TUAOUCFPSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000884316176 584373713 /nfs/dbraw/zinc/37/37/13/584373713.db2.gz LOUMVFYLQIESON-TUAOUCFPSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328614 584374589 /nfs/dbraw/zinc/37/45/89/584374589.db2.gz ULQBURJLSDKKHO-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328614 584374591 /nfs/dbraw/zinc/37/45/91/584374591.db2.gz ULQBURJLSDKKHO-WOPDTQHZSA-N 1 3 255.362 -0.097 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884366130 584377046 /nfs/dbraw/zinc/37/70/46/584377046.db2.gz URMGWJJDVQTVNW-DTWKUNHWSA-N 1 3 251.334 -0.266 20 0 CBADHO COCC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000884383062 584377977 /nfs/dbraw/zinc/37/79/77/584377977.db2.gz ZEXWUIRHWUHBTE-LOWVWBTDSA-N 1 3 255.362 -0.062 20 0 CBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000884528940 584386787 /nfs/dbraw/zinc/38/67/87/584386787.db2.gz BBPLSGMZUBMJQS-WDEREUQCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000884576190 584388821 /nfs/dbraw/zinc/38/88/21/584388821.db2.gz BNJJEEWICBSHKQ-OLZOCXBDSA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(C(=O)C(=O)NC[C@@H](C)N(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884617148 584391127 /nfs/dbraw/zinc/39/11/27/584391127.db2.gz ISQKPBPKJZUDOG-DGCLKSJQSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(C(=O)C(=O)NC[C@@H](C)N(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000884617150 584391146 /nfs/dbraw/zinc/39/11/46/584391146.db2.gz ISQKPBPKJZUDOG-YPMHNXCESA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884650660 584392460 /nfs/dbraw/zinc/39/24/60/584392460.db2.gz QXPCJCBLLVLPQY-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884650411 584392549 /nfs/dbraw/zinc/39/25/49/584392549.db2.gz ISZAEPCMMNASAA-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670271 584394057 /nfs/dbraw/zinc/39/40/57/584394057.db2.gz UJIWPUCHGMWWNV-FRRDWIJNSA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670271 584394058 /nfs/dbraw/zinc/39/40/58/584394058.db2.gz UJIWPUCHGMWWNV-FRRDWIJNSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)NCC[NH3+])CCN1c1ccncc1 ZINC000884673543 584394508 /nfs/dbraw/zinc/39/45/08/584394508.db2.gz ZYBPKVTYJWEEKE-NSHDSACASA-N 1 3 291.355 -0.806 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@@H]21 ZINC000884706678 584399488 /nfs/dbraw/zinc/39/94/88/584399488.db2.gz KQMHIJNHBAGJEC-UPJWGTAASA-N 1 3 294.399 -0.608 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@@H]21 ZINC000884706678 584399489 /nfs/dbraw/zinc/39/94/89/584399489.db2.gz KQMHIJNHBAGJEC-UPJWGTAASA-N 1 3 294.399 -0.608 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@H]21 ZINC000884706677 584399637 /nfs/dbraw/zinc/39/96/37/584399637.db2.gz KQMHIJNHBAGJEC-JHJVBQTASA-N 1 3 294.399 -0.608 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@H]21 ZINC000884706677 584399639 /nfs/dbraw/zinc/39/96/39/584399639.db2.gz KQMHIJNHBAGJEC-JHJVBQTASA-N 1 3 294.399 -0.608 20 0 CBADHO CN(CCN)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884986483 584406659 /nfs/dbraw/zinc/40/66/59/584406659.db2.gz RAHDUOIQWZXDFD-UHFFFAOYSA-N 1 3 284.404 -0.217 20 0 CBADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)C1 ZINC000887087940 584462755 /nfs/dbraw/zinc/46/27/55/584462755.db2.gz DEBVXGPATZHEMG-IUODEOHRSA-N 1 3 294.399 -0.510 20 0 CBADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)C1 ZINC000887087940 584462757 /nfs/dbraw/zinc/46/27/57/584462757.db2.gz DEBVXGPATZHEMG-IUODEOHRSA-N 1 3 294.399 -0.510 20 0 CBADHO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@]2(C)C1 ZINC000887930779 584477671 /nfs/dbraw/zinc/47/76/71/584477671.db2.gz WRSJIVNGNJKBNH-YCPHGPKFSA-N 1 3 292.427 -0.214 20 0 CBADHO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)C[C@]2(C)C1 ZINC000887930779 584477673 /nfs/dbraw/zinc/47/76/73/584477673.db2.gz WRSJIVNGNJKBNH-YCPHGPKFSA-N 1 3 292.427 -0.214 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000889754866 584535682 /nfs/dbraw/zinc/53/56/82/584535682.db2.gz GQKSZMVKNXMDJU-MJBXVCDLSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000889754866 584535684 /nfs/dbraw/zinc/53/56/84/584535684.db2.gz GQKSZMVKNXMDJU-MJBXVCDLSA-N 1 3 281.400 -0.004 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891492799 584582437 /nfs/dbraw/zinc/58/24/37/584582437.db2.gz JGALZLNACHFPME-GHMZBOCLSA-N 1 3 258.366 -0.304 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000891514718 584583311 /nfs/dbraw/zinc/58/33/11/584583311.db2.gz YEBXPKLSAJFCBO-VOAKCMCISA-N 1 3 282.388 -0.019 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891514439 584583328 /nfs/dbraw/zinc/58/33/28/584583328.db2.gz RPIGAMCKRASOHN-CRWXNKLISA-N 1 3 294.399 -0.005 20 0 CBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCOCCN(C)C ZINC000891840787 584593010 /nfs/dbraw/zinc/59/30/10/584593010.db2.gz DEJLKIRAJVRPBL-QWRGUYRKSA-N 1 3 258.366 -0.304 20 0 CBADHO CN(C)CCOCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891842205 584593063 /nfs/dbraw/zinc/59/30/63/584593063.db2.gz QOZLMPYBXGNINB-GXTWGEPZSA-N 1 3 284.404 -0.185 20 0 CBADHO CN1CCN(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C ZINC000891880982 584593553 /nfs/dbraw/zinc/59/35/53/584593553.db2.gz RCIPSSGMQPUKFE-STQMWFEESA-N 1 3 295.431 -0.232 20 0 CBADHO C[NH2+]CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000891992548 584597524 /nfs/dbraw/zinc/59/75/24/584597524.db2.gz KHJDQJBGNUQWPU-JTQLQIEISA-N 1 3 258.366 -0.650 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000892003879 584598592 /nfs/dbraw/zinc/59/85/92/584598592.db2.gz ZCHJKPTYNDGWOX-QWRGUYRKSA-N 1 3 270.377 -0.507 20 0 CBADHO COCCNCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892055948 584602375 /nfs/dbraw/zinc/60/23/75/584602375.db2.gz NTDDCFGVFQYXAS-DGCLKSJQSA-N 1 3 270.377 -0.194 20 0 CBADHO [NH3+]C[C@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000892183001 584608005 /nfs/dbraw/zinc/60/80/05/584608005.db2.gz AODKUFPFNMYAJG-MNOVXSKESA-N 1 3 256.350 -0.502 20 0 CBADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H]1CNCCO1 ZINC000892182056 584608107 /nfs/dbraw/zinc/60/81/07/584608107.db2.gz WUHBDHFUMGCIGY-AKJDGMEZSA-N 1 3 268.361 -0.360 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892183112 584608141 /nfs/dbraw/zinc/60/81/41/584608141.db2.gz BURGXJUGFSHCDP-SDDRHHMPSA-N 1 3 268.361 -0.489 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892183875 584608410 /nfs/dbraw/zinc/60/84/10/584608410.db2.gz MDBCLWUDWNDDRB-LOWVWBTDSA-N 1 3 268.361 -0.441 20 0 CBADHO CN1CCN(C)CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000892237712 584610956 /nfs/dbraw/zinc/61/09/56/584610956.db2.gz OKQPXOKFOOIZMG-AWEZNQCLSA-N 1 3 297.447 -0.031 20 0 CBADHO CN1CCN(C)CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000892237712 584610957 /nfs/dbraw/zinc/61/09/57/584610957.db2.gz OKQPXOKFOOIZMG-AWEZNQCLSA-N 1 3 297.447 -0.031 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892546748 584618068 /nfs/dbraw/zinc/61/80/68/584618068.db2.gz LKSHDZLUWLWHAE-TUAOUCFPSA-N 1 3 284.404 -0.132 20 0 CBADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000892551452 584618407 /nfs/dbraw/zinc/61/84/07/584618407.db2.gz ILSVZSKOLLAGHL-XQQFMLRXSA-N 1 3 284.404 -0.130 20 0 CBADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892790120 584625943 /nfs/dbraw/zinc/62/59/43/584625943.db2.gz XPRKLQGPAWMCBU-CQSZACIVSA-N 1 3 292.383 -0.337 20 0 CBADHO CN1CCC(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000897053032 584707707 /nfs/dbraw/zinc/70/77/07/584707707.db2.gz QGTOCWIQRXOTLR-GFCCVEGCSA-N 1 3 275.418 -0.061 20 0 CBADHO CN1CCC(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000897053032 584707708 /nfs/dbraw/zinc/70/77/08/584707708.db2.gz QGTOCWIQRXOTLR-GFCCVEGCSA-N 1 3 275.418 -0.061 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897397991 584715098 /nfs/dbraw/zinc/71/50/98/584715098.db2.gz PJKGHBPOYISYCX-OAHLLOKOSA-N 1 3 297.399 -0.720 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@@H]1CCCC[NH2+]C1 ZINC000899630085 584761746 /nfs/dbraw/zinc/76/17/46/584761746.db2.gz OTOAMEKLVDTAHY-NXEZZACHSA-N 1 3 275.374 -0.217 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCO)CC[N@@H+]1C ZINC000899741122 584779749 /nfs/dbraw/zinc/77/97/49/584779749.db2.gz SGRNUNVHCBPWEM-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCO)CC[N@H+]1C ZINC000899741122 584779751 /nfs/dbraw/zinc/77/97/51/584779751.db2.gz SGRNUNVHCBPWEM-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)N(C)C ZINC000900164152 584793474 /nfs/dbraw/zinc/79/34/74/584793474.db2.gz WXASEZSGHKHCMS-WCQYABFASA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)N(C)C ZINC000900164152 584793477 /nfs/dbraw/zinc/79/34/77/584793477.db2.gz WXASEZSGHKHCMS-WCQYABFASA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C[C@]1(O)CCCN(C)C1)[NH+](C)C ZINC000900164152 584793479 /nfs/dbraw/zinc/79/34/79/584793479.db2.gz 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[NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)C1CNC1 ZINC000903531879 584892757 /nfs/dbraw/zinc/89/27/57/584892757.db2.gz QQCXGHLGEHBISL-ONGXEEELSA-N 1 3 259.375 -0.509 20 0 CBADHO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)C1CNC1 ZINC000903557680 584893107 /nfs/dbraw/zinc/89/31/07/584893107.db2.gz HBFGYWAGBYFMIP-UHFFFAOYSA-N 1 3 259.375 -0.590 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)[C@H]1CCCNC1)C2 ZINC000903576489 584893693 /nfs/dbraw/zinc/89/36/93/584893693.db2.gz LMKLYYPHOWTMKH-USZNOCQGSA-N 1 3 273.402 -0.120 20 0 CBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746309 584896987 /nfs/dbraw/zinc/89/69/87/584896987.db2.gz CCYPVESSBODTDG-FRRDWIJNSA-N 1 3 296.415 -0.265 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756051 584897632 /nfs/dbraw/zinc/89/76/32/584897632.db2.gz ONZTXJRYPPOGSI-JSGCOSHPSA-N 1 3 284.404 -0.042 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903768044 584898084 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CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC000969595033 615538334 /nfs/dbraw/zinc/53/83/34/615538334.db2.gz LIGJZSKVLHHIQZ-IJLUTSLNSA-N 1 3 282.388 -0.465 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC000969074852 615603246 /nfs/dbraw/zinc/60/32/46/615603246.db2.gz WQWICSMGCJRAEF-GRYCIOLGSA-N 1 3 282.388 -0.594 20 0 CBADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000968904371 615821645 /nfs/dbraw/zinc/82/16/45/615821645.db2.gz QXWZDSXWUSRETF-NEPJUHHUSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CCC1 ZINC000968903998 615840740 /nfs/dbraw/zinc/84/07/40/615840740.db2.gz FMQFIWDVUYTPJC-LLVKDONJSA-N 1 3 255.362 -0.347 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981665673 616191661 /nfs/dbraw/zinc/19/16/61/616191661.db2.gz DQMUBSRGBVKYPV-CYBMUJFWSA-N 1 3 281.400 -0.003 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981665673 616191662 /nfs/dbraw/zinc/19/16/62/616191662.db2.gz 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ZINC000970478629 616389199 /nfs/dbraw/zinc/38/91/99/616389199.db2.gz MPJISPSOPRDEFT-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970478629 616389202 /nfs/dbraw/zinc/38/92/02/616389202.db2.gz MPJISPSOPRDEFT-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702432735 656181659 /nfs/dbraw/zinc/18/16/59/656181659.db2.gz XGFCJHTUNOOBBH-LBPRGKRZSA-N 1 3 256.394 -0.182 20 0 CBADHO CS(=O)(=O)N1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000703151854 656183118 /nfs/dbraw/zinc/18/31/18/656183118.db2.gz IDSOTOOJNFIOEI-PHIMTYICSA-N 1 3 261.391 -0.309 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911875767 657151383 /nfs/dbraw/zinc/15/13/83/657151383.db2.gz SSENXUZGPYNHIB-VHSXEESVSA-N 1 3 260.407 -0.832 20 0 CBADHO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@@H]21 ZINC000923665122 658388486 /nfs/dbraw/zinc/38/84/86/658388486.db2.gz BUOKGLLELMQOSY-RYUDHWBXSA-N 1 3 288.417 -0.838 20 0 CBADHO C[N@H+]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@@H]21 ZINC000923665122 658388501 /nfs/dbraw/zinc/38/85/01/658388501.db2.gz BUOKGLLELMQOSY-RYUDHWBXSA-N 1 3 288.417 -0.838 20 0 CBADHO O=S(=O)(C1CNC1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923674447 658393865 /nfs/dbraw/zinc/39/38/65/658393865.db2.gz POJODDNNMQORQD-LBPRGKRZSA-N 1 3 273.402 -0.246 20 0 CBADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCOCCO ZINC000922111592 657994275 /nfs/dbraw/zinc/99/42/75/657994275.db2.gz YZCQBBBRTFCFFG-ZDUSSCGKSA-N 1 3 287.404 -0.615 20 0 CBADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCOCCO ZINC000922111592 657994289 /nfs/dbraw/zinc/99/42/89/657994289.db2.gz YZCQBBBRTFCFFG-ZDUSSCGKSA-N 1 3 287.404 -0.615 20 0 CBADHO C[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000923488403 658305462 /nfs/dbraw/zinc/30/54/62/658305462.db2.gz FLMRTBXMZROAJU-GHMZBOCLSA-N 1 3 263.407 -0.206 20 0 CBADHO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923564064 658329270 /nfs/dbraw/zinc/32/92/70/658329270.db2.gz RVBQFDIKOJMPLF-NSHDSACASA-N 1 3 276.406 -0.932 20 0 CBADHO CC(C)[NH2+]CCCNS(=O)(=O)N1CCNCC1 ZINC000923570897 658333573 /nfs/dbraw/zinc/33/35/73/658333573.db2.gz OEVJAFNDFWKDAC-UHFFFAOYSA-N 1 3 264.395 -0.886 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)N3CCNCC3)C[C@H]21 ZINC000923637512 658368081 /nfs/dbraw/zinc/36/80/81/658368081.db2.gz QJPZXJCYSLAICW-QJPTWQEYSA-N 1 3 288.417 -0.804 20 0 CBADHO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)C3CNC3)C[C@@H]21 ZINC000923637825 658368377 /nfs/dbraw/zinc/36/83/77/658368377.db2.gz UQDPYVNHHCIWEQ-INTQDDNPSA-N 1 3 259.375 -0.653 20 0 CBADHO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CCNCC1 ZINC000923656043 658382023 /nfs/dbraw/zinc/38/20/23/658382023.db2.gz PKAURINLBUMOBA-LLVKDONJSA-N 1 3 288.417 -0.599 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(CC[N@H+](C)C2CC2)C1=O ZINC000924523650 658609843 /nfs/dbraw/zinc/60/98/43/658609843.db2.gz DYHRXUZBXCHUQM-SNVBAGLBSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(CC[N@@H+](C)C2CC2)C1=O ZINC000924523650 658609860 /nfs/dbraw/zinc/60/98/60/658609860.db2.gz DYHRXUZBXCHUQM-SNVBAGLBSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(CC2([NH+](C)C)CCC2)C1=O ZINC000924668516 658630669 /nfs/dbraw/zinc/63/06/69/658630669.db2.gz QXTCOCHZSWQFDJ-JTQLQIEISA-N 1 3 268.361 -0.047 20 0 CBADHO CC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925320968 658825445 /nfs/dbraw/zinc/82/54/45/658825445.db2.gz IGDGVEIGBIUPAM-NXEZZACHSA-N 1 3 254.334 -0.437 20 0 CBADHO CC[N@H+]1CC[C@@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925320968 658825449 /nfs/dbraw/zinc/82/54/49/658825449.db2.gz IGDGVEIGBIUPAM-NXEZZACHSA-N 1 3 254.334 -0.437 20 0 CBADHO OCCCN1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925678527 658864355 /nfs/dbraw/zinc/86/43/55/658864355.db2.gz FPCMPWKKSDXQMB-CHWSQXEVSA-N 1 3 257.378 -0.589 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCn1cc(CO)nn1 ZINC000925668674 658865091 /nfs/dbraw/zinc/86/50/91/658865091.db2.gz JSINOSUWEYOSSX-JQWIXIFHSA-N 1 3 253.350 -0.109 20 0 CBADHO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCCCN1 ZINC000925787999 658871849 /nfs/dbraw/zinc/87/18/49/658871849.db2.gz FGXWARPAEWGDJS-AVGNSLFASA-N 1 3 289.445 -0.117 20 0 CBADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC[C@H]1CNCCS1(=O)=O ZINC000925789567 658871944 /nfs/dbraw/zinc/87/19/44/658871944.db2.gz WDXCAKACTOTVRD-FRRDWIJNSA-N 1 3 289.445 -0.259 20 0 CBADHO C[NH+](C)CC1(O)CCN(CCc2cn[nH]n2)CC1 ZINC000931480837 659472426 /nfs/dbraw/zinc/47/24/26/659472426.db2.gz KTQGQPJNHVOCIW-UHFFFAOYSA-N 1 3 253.350 -0.264 20 0 CBADHO CC(C)[NH+](CCNS(=O)(=O)N1CCNCC1)C(C)C ZINC000020247434 655996179 /nfs/dbraw/zinc/99/61/79/655996179.db2.gz NFWGBBIISHYJAP-UHFFFAOYSA-N 1 3 292.449 -0.155 20 0 CBADHO CCN1CCC(N(C)S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040862064 656005830 /nfs/dbraw/zinc/00/58/30/656005830.db2.gz OERHATYEKDGTRB-UHFFFAOYSA-N 1 3 290.433 -0.448 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)CC1=O ZINC000178555528 656088926 /nfs/dbraw/zinc/08/89/26/656088926.db2.gz GYFRXJZFLBUDGZ-NEPJUHHUSA-N 1 3 282.388 -0.796 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC1=O ZINC000178555547 656089163 /nfs/dbraw/zinc/08/91/63/656089163.db2.gz GYFRXJZFLBUDGZ-RYUDHWBXSA-N 1 3 282.388 -0.796 20 0 CBADHO CN1CCC[C@@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250592157 656122007 /nfs/dbraw/zinc/12/20/07/656122007.db2.gz HRGRKXWFLSXUIL-RYUDHWBXSA-N 1 3 275.418 0.000 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252600328 656123250 /nfs/dbraw/zinc/12/32/50/656123250.db2.gz LMIDITYHLLQYSN-CYDGBPFRSA-N 1 3 267.373 -0.036 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261908444 656126992 /nfs/dbraw/zinc/12/69/92/656126992.db2.gz WCYVKUJOCPAMOD-GFCCVEGCSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000419101415 656167123 /nfs/dbraw/zinc/16/71/23/656167123.db2.gz KBJLTJQLGNVGQQ-OAHLLOKOSA-N 1 3 294.399 -0.449 20 0 CBADHO CN1C[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702458658 656181238 /nfs/dbraw/zinc/18/12/38/656181238.db2.gz SDNFEYBKASXPEU-NEPJUHHUSA-N 1 3 288.417 -0.980 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000705231211 656185366 /nfs/dbraw/zinc/18/53/66/656185366.db2.gz AGDOEBLWWGWZCP-LBPRGKRZSA-N 1 3 256.394 -0.325 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000710128318 656196908 /nfs/dbraw/zinc/19/69/08/656196908.db2.gz PEUSHDNCMFPIRT-SDDRHHMPSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@H]1CNCCO1)C2 ZINC000877379065 656246129 /nfs/dbraw/zinc/24/61/29/656246129.db2.gz CKEDEOBTUJUBKL-GMXVVIOVSA-N 1 3 253.346 -0.567 20 0 CBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194754 656259917 /nfs/dbraw/zinc/25/99/17/656259917.db2.gz DCMVEVYCFUSZRJ-LLVKDONJSA-N 1 3 284.404 -0.217 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000897764836 656295111 /nfs/dbraw/zinc/29/51/11/656295111.db2.gz PXTKDCGEILYRSD-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000897764836 656295114 /nfs/dbraw/zinc/29/51/14/656295114.db2.gz PXTKDCGEILYRSD-CHWSQXEVSA-N 1 3 269.389 -0.099 20 0 CBADHO Nc1ccc(CNCCCN2CC[NH2+]CC2)nn1 ZINC000904351476 656325491 /nfs/dbraw/zinc/32/54/91/656325491.db2.gz ZHHXUBCKWOJYCU-UHFFFAOYSA-N 1 3 250.350 -0.556 20 0 CBADHO C[C@@H]1C[C@H](CN2CCN3[C@H](CNS3(=O)=O)C2)CC[NH2+]1 ZINC000904433924 656327367 /nfs/dbraw/zinc/32/73/67/656327367.db2.gz QWNTYEZOHNTVMV-IJLUTSLNSA-N 1 3 288.417 -0.791 20 0 CBADHO CC[NH+]1CCC(NC[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905028890 656334584 /nfs/dbraw/zinc/33/45/84/656334584.db2.gz WPNLZRJAUKGTFL-KBPBESRZSA-N 1 3 272.389 -0.037 20 0 CBADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)C1(O)CCOCC1 ZINC000905060956 656336669 /nfs/dbraw/zinc/33/66/69/656336669.db2.gz ZMVJSXYIAMQCIF-GXTWGEPZSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060956 656336672 /nfs/dbraw/zinc/33/66/72/656336672.db2.gz ZMVJSXYIAMQCIF-GXTWGEPZSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060956 656336674 /nfs/dbraw/zinc/33/66/74/656336674.db2.gz ZMVJSXYIAMQCIF-GXTWGEPZSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)CN1CCCC1 ZINC000905344592 656351186 /nfs/dbraw/zinc/35/11/86/656351186.db2.gz KHDGRHYWYJRUGL-NEPJUHHUSA-N 1 3 258.362 -0.691 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCC1)C1(O)CCCC1 ZINC000905346413 656351526 /nfs/dbraw/zinc/35/15/26/656351526.db2.gz QEZMJVMQCLWXES-QWHCGFSZSA-N 1 3 272.389 -0.301 20 0 CBADHO O[C@H](C[NH2+]CCO[C@@H]1CCOC1)CN1CCCC1 ZINC000905606160 656363581 /nfs/dbraw/zinc/36/35/81/656363581.db2.gz DEJDHCFPASWDGT-CHWSQXEVSA-N 1 3 258.362 -0.162 20 0 CBADHO Cn1nnc2c1C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631928 656364136 /nfs/dbraw/zinc/36/41/36/656364136.db2.gz CRCZSMQOOMTXIF-PWSUYJOCSA-N 1 3 279.388 -0.283 20 0 CBADHO Cn1nnc2c1C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631928 656364138 /nfs/dbraw/zinc/36/41/38/656364138.db2.gz CRCZSMQOOMTXIF-PWSUYJOCSA-N 1 3 279.388 -0.283 20 0 CBADHO Cn1nnc2c1C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000905631929 656364366 /nfs/dbraw/zinc/36/43/66/656364366.db2.gz CRCZSMQOOMTXIF-ZYHUDNBSSA-N 1 3 279.388 -0.283 20 0 CBADHO Cn1nnc2c1C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000905631929 656364367 /nfs/dbraw/zinc/36/43/67/656364367.db2.gz CRCZSMQOOMTXIF-ZYHUDNBSSA-N 1 3 279.388 -0.283 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517088 656417516 /nfs/dbraw/zinc/41/75/16/656417516.db2.gz DEFOMPVJKWXMER-RYUDHWBXSA-N 1 3 296.415 -0.360 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996517088 656417518 /nfs/dbraw/zinc/41/75/18/656417518.db2.gz DEFOMPVJKWXMER-RYUDHWBXSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC000996663694 656449676 /nfs/dbraw/zinc/44/96/76/656449676.db2.gz JAOAZWWOPUDXPM-LLVKDONJSA-N 1 3 296.415 -0.075 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+]CCO)CC1)N(C)C ZINC000996710980 656454200 /nfs/dbraw/zinc/45/42/00/656454200.db2.gz HXBIGFQFKBKYPX-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC000996713601 656454466 /nfs/dbraw/zinc/45/44/66/656454466.db2.gz WSLDBROPAAIHOG-LLVKDONJSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC000996713763 656454729 /nfs/dbraw/zinc/45/47/29/656454729.db2.gz WZZCTTBFVDHRGC-ZYHUDNBSSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC000997008009 656463455 /nfs/dbraw/zinc/46/34/55/656463455.db2.gz SVSWAPVATGKIHB-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC000996997076 656463613 /nfs/dbraw/zinc/46/36/13/656463613.db2.gz DZBGAFPVZDGQMJ-NWDGAFQWSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996993841 656463688 /nfs/dbraw/zinc/46/36/88/656463688.db2.gz GCCPNBNBESFBHF-NSHDSACASA-N 1 3 282.388 -0.463 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997368924 656474564 /nfs/dbraw/zinc/47/45/64/656474564.db2.gz XFCJTPDODPROBO-CYBMUJFWSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]CC(N)=O)C1 ZINC000998995062 656600685 /nfs/dbraw/zinc/60/06/85/656600685.db2.gz OTARKLNMCYRVHY-HTAVTVPLSA-N 1 3 282.388 -0.465 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999146465 656612774 /nfs/dbraw/zinc/61/27/74/656612774.db2.gz WJGGGTFIWSTEDC-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999146465 656612782 /nfs/dbraw/zinc/61/27/82/656612782.db2.gz WJGGGTFIWSTEDC-CHWSQXEVSA-N 1 3 296.415 -0.075 20 0 CBADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168501 656613622 /nfs/dbraw/zinc/61/36/22/656613622.db2.gz BSBKSXRQNZJLFA-STQMWFEESA-N 1 3 294.399 -0.606 20 0 CBADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC000999350629 656626249 /nfs/dbraw/zinc/62/62/49/656626249.db2.gz 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20 0 CBADHO O=C1NCCN1[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309159 658204020 /nfs/dbraw/zinc/20/40/20/658204020.db2.gz SUNWDJRPLNLFCJ-CHWSQXEVSA-N 1 3 294.399 -0.146 20 0 CBADHO O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313956 658204746 /nfs/dbraw/zinc/20/47/46/658204746.db2.gz NSTMYGWKUGWGAE-GRYCIOLGSA-N 1 3 265.357 -0.282 20 0 CBADHO Cn1c2cc(CNC(CN)C[NH3+])ccc2oc1=O ZINC000923356895 658228840 /nfs/dbraw/zinc/22/88/40/658228840.db2.gz QFUSZBIACNJLKF-UHFFFAOYSA-N 1 3 250.302 -0.493 20 0 CBADHO COCCOC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923370738 658238590 /nfs/dbraw/zinc/23/85/90/658238590.db2.gz QRRSXARRVXZQQJ-NWDGAFQWSA-N 1 3 260.378 -0.012 20 0 CBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923370738 658238606 /nfs/dbraw/zinc/23/86/06/658238606.db2.gz QRRSXARRVXZQQJ-NWDGAFQWSA-N 1 3 260.378 -0.012 20 0 CBADHO COCCOC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923370741 658240465 /nfs/dbraw/zinc/24/04/65/658240465.db2.gz QRRSXARRVXZQQJ-VXGBXAGGSA-N 1 3 260.378 -0.012 20 0 CBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923370741 658240494 /nfs/dbraw/zinc/24/04/94/658240494.db2.gz QRRSXARRVXZQQJ-VXGBXAGGSA-N 1 3 260.378 -0.012 20 0 CBADHO COCCOC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923370739 658241522 /nfs/dbraw/zinc/24/15/22/658241522.db2.gz QRRSXARRVXZQQJ-RYUDHWBXSA-N 1 3 260.378 -0.012 20 0 CBADHO COCCOC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923370739 658241534 /nfs/dbraw/zinc/24/15/34/658241534.db2.gz QRRSXARRVXZQQJ-RYUDHWBXSA-N 1 3 260.378 -0.012 20 0 CBADHO O=C1OCCN1[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923392403 658254545 /nfs/dbraw/zinc/25/45/45/658254545.db2.gz RIPIOIYHROMDIA-RYUDHWBXSA-N 1 3 281.356 -0.109 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](CC[NH3+])C2)C1 ZINC000923493125 658307270 /nfs/dbraw/zinc/30/72/70/658307270.db2.gz RIQXVMVFYLAAKY-UONOGXRCSA-N 1 3 296.415 -0.216 20 0 CBADHO CCS(=O)(=O)NCCN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495560 658308724 /nfs/dbraw/zinc/30/87/24/658308724.db2.gz CHXIGJRBVJXYLO-GHMZBOCLSA-N 1 3 263.407 -0.158 20 0 CBADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H](CC[NH3+])C2)C1 ZINC000923493124 658308776 /nfs/dbraw/zinc/30/87/76/658308776.db2.gz RIQXVMVFYLAAKY-KGLIPLIRSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502932 658310065 /nfs/dbraw/zinc/31/00/65/658310065.db2.gz FCULKTXZZHEACX-LPEHRKFASA-N 1 3 256.350 -0.253 20 0 CBADHO O[C@H](Cn1cccn1)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516532 658313117 /nfs/dbraw/zinc/31/31/17/658313117.db2.gz JDGXOEWZVVAKPY-XQQFMLRXSA-N 1 3 250.346 -0.215 20 0 CBADHO C[C@@H](NS(=O)(=O)N1CCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000923568175 658331522 /nfs/dbraw/zinc/33/15/22/658331522.db2.gz WHQMNIZCDCEOHI-GHMZBOCLSA-N 1 3 276.406 -0.886 20 0 CBADHO [NH3+]C[C@H](NS(=O)(=O)C1CNC1)C1CCCCC1 ZINC000923569857 658331391 /nfs/dbraw/zinc/33/13/91/658331391.db2.gz QPBGDEUWNYZXEB-NSHDSACASA-N 1 3 261.391 -0.215 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000923596819 658345407 /nfs/dbraw/zinc/34/54/07/658345407.db2.gz AJNJXSGCKMBFCI-NSHDSACASA-N 1 3 273.402 -0.152 20 0 CBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923646350 658372673 /nfs/dbraw/zinc/37/26/73/658372673.db2.gz QNYPGFWBSUYZCZ-WDEREUQCSA-N 1 3 273.402 -0.391 20 0 CBADHO C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000923647578 658374412 /nfs/dbraw/zinc/37/44/12/658374412.db2.gz NDDBNTQEPNFLOG-QWRGUYRKSA-N 1 3 276.406 -0.947 20 0 CBADHO CC(C)C[N@H+](C)CCCNS(=O)(=O)N1CCNCC1 ZINC000923651439 658374949 /nfs/dbraw/zinc/37/49/49/658374949.db2.gz DMGVXULKXCMPFM-UHFFFAOYSA-N 1 3 292.449 -0.296 20 0 CBADHO CC(C)C[N@@H+](C)CCCNS(=O)(=O)N1CCNCC1 ZINC000923651439 658374964 /nfs/dbraw/zinc/37/49/64/658374964.db2.gz DMGVXULKXCMPFM-UHFFFAOYSA-N 1 3 292.449 -0.296 20 0 CBADHO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CNC1 ZINC000923658753 658382586 /nfs/dbraw/zinc/38/25/86/658382586.db2.gz INMNPDDWNKBJOZ-LBPRGKRZSA-N 1 3 287.429 0.000 20 0 CBADHO O=S(=O)(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CNC1 ZINC000923658753 658382597 /nfs/dbraw/zinc/38/25/97/658382597.db2.gz INMNPDDWNKBJOZ-LBPRGKRZSA-N 1 3 287.429 0.000 20 0 CBADHO CC[NH+]1CCC(N2C(=O)N[C@@H](CN(C)C)C2=O)CC1 ZINC000924442319 658600161 /nfs/dbraw/zinc/60/01/61/658600161.db2.gz ZLOJPXKTSLRLBO-NSHDSACASA-N 1 3 268.361 -0.047 20 0 CBADHO COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924576987 658615451 /nfs/dbraw/zinc/61/54/51/658615451.db2.gz CVENZYLKGYKUHK-RYUDHWBXSA-N 1 3 298.387 -0.421 20 0 CBADHO COCC[N@H+]1CCC[C@H]1CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924576987 658615457 /nfs/dbraw/zinc/61/54/57/658615457.db2.gz CVENZYLKGYKUHK-RYUDHWBXSA-N 1 3 298.387 -0.421 20 0 CBADHO CCO[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)C[NH+](C)C ZINC000925235625 658813559 /nfs/dbraw/zinc/81/35/59/658813559.db2.gz MTAQHEVJRLXLJX-MNOVXSKESA-N 1 3 286.376 -0.565 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CCC[N@@H+]2C)C1=O ZINC000925288044 658815215 /nfs/dbraw/zinc/81/52/15/658815215.db2.gz BGUPODHBWRYEON-VHSXEESVSA-N 1 3 254.334 -0.437 20 0 CBADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925288044 658815218 /nfs/dbraw/zinc/81/52/18/658815218.db2.gz BGUPODHBWRYEON-VHSXEESVSA-N 1 3 254.334 -0.437 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000925346773 658833012 /nfs/dbraw/zinc/83/30/12/658833012.db2.gz VTQBGVDFIAZQQN-SRVKXCTJSA-N 1 3 270.377 -0.555 20 0 CBADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000925346773 658833017 /nfs/dbraw/zinc/83/30/17/658833017.db2.gz VTQBGVDFIAZQQN-SRVKXCTJSA-N 1 3 270.377 -0.555 20 0 CBADHO CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925359966 658835277 /nfs/dbraw/zinc/83/52/77/658835277.db2.gz SEKMPUDZZPJCPC-GHMZBOCLSA-N 1 3 268.361 -0.047 20 0 CBADHO CCC[N@H+]1CC[C@@H](N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925359966 658835280 /nfs/dbraw/zinc/83/52/80/658835280.db2.gz SEKMPUDZZPJCPC-GHMZBOCLSA-N 1 3 268.361 -0.047 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H]1C ZINC000925415966 658842251 /nfs/dbraw/zinc/84/22/51/658842251.db2.gz BGHOZBXTRLULRW-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H]1C ZINC000925415966 658842255 /nfs/dbraw/zinc/84/22/55/658842255.db2.gz BGHOZBXTRLULRW-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C)CN1CCO ZINC000925426267 658846783 /nfs/dbraw/zinc/84/67/83/658846783.db2.gz MHRRLFPNEGYCNQ-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)CN1CCO ZINC000925426267 658846790 /nfs/dbraw/zinc/84/67/90/658846790.db2.gz MHRRLFPNEGYCNQ-FRRDWIJNSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC[C@H]1C[NH3+] ZINC000926295079 658890834 /nfs/dbraw/zinc/89/08/34/658890834.db2.gz YOBHYPCNJNFGPN-RYUDHWBXSA-N 1 3 284.404 -0.550 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926361904 658896699 /nfs/dbraw/zinc/89/66/99/658896699.db2.gz LFJJGAJGNLJOQD-ZDUSSCGKSA-N 1 3 298.431 -0.018 20 0 CBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926384046 658897342 /nfs/dbraw/zinc/89/73/42/658897342.db2.gz YRSWSCMHEBCLIU-OLZOCXBDSA-N 1 3 296.415 -0.264 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458747 658991217 /nfs/dbraw/zinc/99/12/17/658991217.db2.gz YERQOJJCHWMYSG-OCCSQVGLSA-N 1 3 294.399 -0.463 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969948339 659025017 /nfs/dbraw/zinc/02/50/17/659025017.db2.gz KAPOTSCCTSQRFI-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969954163 659025366 /nfs/dbraw/zinc/02/53/66/659025366.db2.gz ANMTZCPELHPEKJ-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969954163 659025373 /nfs/dbraw/zinc/02/53/73/659025373.db2.gz ANMTZCPELHPEKJ-GHMZBOCLSA-N 1 3 268.361 -0.996 20 0 CBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969967422 659027145 /nfs/dbraw/zinc/02/71/45/659027145.db2.gz DBVCGTVJDZRTLB-GFCCVEGCSA-N 1 3 269.389 -0.099 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970105827 659034775 /nfs/dbraw/zinc/03/47/75/659034775.db2.gz UJFMOCNUYQMVFT-LLVKDONJSA-N 1 3 289.343 -0.566 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC000970489877 659059553 /nfs/dbraw/zinc/05/95/53/659059553.db2.gz HQNCMHWALFYHFK-WDEREUQCSA-N 1 3 280.372 -0.854 20 0 CBADHO O=C(N1CC[C@@H](N[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970490379 659060506 /nfs/dbraw/zinc/06/05/06/659060506.db2.gz QKAVQZHFWJLIMJ-VXGBXAGGSA-N 1 3 292.383 -0.839 20 0 CBADHO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970718905 659070176 /nfs/dbraw/zinc/07/01/76/659070176.db2.gz YAXQXOBYRHGARB-VXGBXAGGSA-N 1 3 255.362 -0.347 20 0 CBADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)CO)CC2)CC1 ZINC000930751534 659337690 /nfs/dbraw/zinc/33/76/90/659337690.db2.gz NNTYOKLKGRBEQN-OAHLLOKOSA-N 1 3 285.432 -0.168 20 0 CBADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)CO)CC2)CC1 ZINC000930751534 659337695 /nfs/dbraw/zinc/33/76/95/659337695.db2.gz NNTYOKLKGRBEQN-OAHLLOKOSA-N 1 3 285.432 -0.168 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+](C)C ZINC000985483486 659387748 /nfs/dbraw/zinc/38/77/48/659387748.db2.gz ZQRHZIUFDMNRSA-AWEZNQCLSA-N 1 3 298.431 -0.019 20 0 CBADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790057 659399331 /nfs/dbraw/zinc/39/93/31/659399331.db2.gz OSXDRPBEADCOFF-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790057 659399339 /nfs/dbraw/zinc/39/93/39/659399339.db2.gz OSXDRPBEADCOFF-GFCCVEGCSA-N 1 3 296.415 -0.121 20 0 CBADHO CN1CCN(C(=O)CCN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931278412 659424526 /nfs/dbraw/zinc/42/45/26/659424526.db2.gz BXKOHYAVFVITCY-NHAGDIPZSA-N 1 3 280.416 -0.358 20 0 CBADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCC(=O)N3CCN(C)CC3)C[C@H]21 ZINC000931278412 659424543 /nfs/dbraw/zinc/42/45/43/659424543.db2.gz BXKOHYAVFVITCY-NHAGDIPZSA-N 1 3 280.416 -0.358 20 0 CBADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)N3CCN(C)CC3)C[C@H]21 ZINC000931278412 659424561 /nfs/dbraw/zinc/42/45/61/659424561.db2.gz BXKOHYAVFVITCY-NHAGDIPZSA-N 1 3 280.416 -0.358 20 0 CBADHO C[C@@H](O)[C@@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286603 659427736 /nfs/dbraw/zinc/42/77/36/659427736.db2.gz VENNWTDNHWMKCJ-OCCSQVGLSA-N 1 3 272.389 -0.085 20 0 CBADHO C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056591 659487721 /nfs/dbraw/zinc/48/77/21/659487721.db2.gz GJEQGSADHXGOEH-GXSJLCMTSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987123498 659488205 /nfs/dbraw/zinc/48/82/05/659488205.db2.gz KLHHVBBLFPKELP-AAEUAGOBSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056594 659488645 /nfs/dbraw/zinc/48/86/45/659488645.db2.gz GJEQGSADHXGOEH-ONGXEEELSA-N 1 3 252.318 -0.477 20 0 CBADHO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC000987251236 659499483 /nfs/dbraw/zinc/49/94/83/659499483.db2.gz ARZILCSCNRBRPO-QWHCGFSZSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987355475 659502401 /nfs/dbraw/zinc/50/24/01/659502401.db2.gz GPAHVJAZDKBYKG-QWRGUYRKSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CN(C)C1CCC1 ZINC000988968286 659564678 /nfs/dbraw/zinc/56/46/78/659564678.db2.gz RRKZAQDWBWXVCD-QWRGUYRKSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H](O)CN1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490602 659589686 /nfs/dbraw/zinc/58/96/86/659589686.db2.gz CXPKOAZTDPYXLI-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683559 659608534 /nfs/dbraw/zinc/60/85/34/659608534.db2.gz RDWMNIDONIHNDG-GHMZBOCLSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683562 659608760 /nfs/dbraw/zinc/60/87/60/659608760.db2.gz RDWMNIDONIHNDG-WDEREUQCSA-N 1 3 280.372 -0.854 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991710328 659841501 /nfs/dbraw/zinc/84/15/01/659841501.db2.gz MNGJDSXYCDLZFU-WCQYABFASA-N 1 3 294.399 -0.641 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991710328 659841503 /nfs/dbraw/zinc/84/15/03/659841503.db2.gz MNGJDSXYCDLZFU-WCQYABFASA-N 1 3 294.399 -0.641 20 0 CBADHO C[NH+]1CCC(OCC(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000935983427 659848879 /nfs/dbraw/zinc/84/88/79/659848879.db2.gz CJAIBFUXBHMKOV-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CCC1 ZINC000995889925 659910833 /nfs/dbraw/zinc/91/08/33/659910833.db2.gz XCAXMPQDIYIXSX-LLVKDONJSA-N 1 3 296.415 -0.217 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076462502 805575768 /nfs/dbraw/zinc/57/57/68/805575768.db2.gz XFTSVGCZKDTDMR-MELADBBJSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076462502 805575774 /nfs/dbraw/zinc/57/57/74/805575774.db2.gz XFTSVGCZKDTDMR-MELADBBJSA-N 1 3 281.400 -0.147 20 0 CBADHO O=C(N1CC[C@H]2CN(CCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465606 805577940 /nfs/dbraw/zinc/57/79/40/805577940.db2.gz NFCZBOZBHUEIFS-QWHCGFSZSA-N 1 3 279.384 -0.393 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886366 814924120 /nfs/dbraw/zinc/92/41/20/814924120.db2.gz VKAIJXOEBOXIJZ-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886366 814924122 /nfs/dbraw/zinc/92/41/22/814924122.db2.gz VKAIJXOEBOXIJZ-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO c1ncn(CCN2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000310899689 790476692 /nfs/dbraw/zinc/47/66/92/790476692.db2.gz MOBSCHSQZVDUGH-LBPRGKRZSA-N 1 3 250.350 -0.742 20 0 CBADHO COC(=O)[C@](C)(O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000394092604 790577380 /nfs/dbraw/zinc/57/73/80/790577380.db2.gz JWIBIJXGVOSTCP-DMDPSCGWSA-N 1 3 256.346 -0.206 20 0 CBADHO COC(=O)[C@](C)(O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000394092604 790577389 /nfs/dbraw/zinc/57/73/89/790577389.db2.gz JWIBIJXGVOSTCP-DMDPSCGWSA-N 1 3 256.346 -0.206 20 0 CBADHO CNC(=O)CN1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396552781 790582637 /nfs/dbraw/zinc/58/26/37/790582637.db2.gz PMBVDKPFCFQZMO-WCQYABFASA-N 1 3 268.405 -0.073 20 0 CBADHO CN(CCO)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC000691285679 790674595 /nfs/dbraw/zinc/67/45/95/790674595.db2.gz HXOGTPGMDRJMHS-UHFFFAOYSA-N 1 3 257.378 -0.289 20 0 CBADHO CO[C@]1(CN[C@@H]2CCC[C@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000721172707 790778529 /nfs/dbraw/zinc/77/85/29/790778529.db2.gz HRJHVMREELGRPL-TUAOUCFPSA-N 1 3 276.402 -0.093 20 0 CBADHO COC[C@@H](C)OC[C@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844228 790803258 /nfs/dbraw/zinc/80/32/58/790803258.db2.gz LRUFLFYXMKNFLH-FDYHWXHSSA-N 1 3 260.378 -0.075 20 0 CBADHO CCCNC(=O)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000723672137 790803830 /nfs/dbraw/zinc/80/38/30/790803830.db2.gz JNPKLYRVFBVJLK-JTQLQIEISA-N 1 3 256.350 -0.107 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724575825 790807609 /nfs/dbraw/zinc/80/76/09/790807609.db2.gz CRROBYUNIWRMEE-MELADBBJSA-N 1 3 269.389 -0.373 20 0 CBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022717208 791042685 /nfs/dbraw/zinc/04/26/85/791042685.db2.gz SVNQWWZJZLPOSP-TXEJJXNPSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001022717467 791043361 /nfs/dbraw/zinc/04/33/61/791043361.db2.gz XTYPKVKXJLJPPX-UTUOFQBUSA-N 1 3 296.415 -0.171 20 0 CBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003988 805670449 /nfs/dbraw/zinc/67/04/49/805670449.db2.gz IHPDKUGLHVIEOJ-MGPQQGTHSA-N 1 3 281.400 -0.101 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900521 814925727 /nfs/dbraw/zinc/92/57/27/814925727.db2.gz PEKQVJXFWRVJEC-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900521 814925733 /nfs/dbraw/zinc/92/57/33/814925733.db2.gz PEKQVJXFWRVJEC-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175736 805848337 /nfs/dbraw/zinc/84/83/37/805848337.db2.gz KHRULUZXFJQEPY-YNEHKIRRSA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175736 805848340 /nfs/dbraw/zinc/84/83/40/805848340.db2.gz KHRULUZXFJQEPY-YNEHKIRRSA-N 1 3 269.389 -0.245 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900523 814926837 /nfs/dbraw/zinc/92/68/37/814926837.db2.gz PEKQVJXFWRVJEC-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900523 814926842 /nfs/dbraw/zinc/92/68/42/814926842.db2.gz PEKQVJXFWRVJEC-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080782773 806010102 /nfs/dbraw/zinc/01/01/02/806010102.db2.gz AMRPUMNSELGCBV-FRRDWIJNSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080782773 806010110 /nfs/dbraw/zinc/01/01/10/806010110.db2.gz AMRPUMNSELGCBV-FRRDWIJNSA-N 1 3 269.389 -0.243 20 0 CBADHO COCCN(C(=O)[C@]1(N)CC[NH2+]C1)C1CCN(C)CC1 ZINC001160441261 815622050 /nfs/dbraw/zinc/62/20/50/815622050.db2.gz VZFJJQCIAQZROJ-AWEZNQCLSA-N 1 3 284.404 -0.754 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999694 814929486 /nfs/dbraw/zinc/92/94/86/814929486.db2.gz CTKSFCFLDIFBAS-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(N)=O ZINC001082448503 806178696 /nfs/dbraw/zinc/17/86/96/806178696.db2.gz SWNAXCZHNVLHDB-MXWKQRLJSA-N 1 3 268.361 -0.998 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(N)=O ZINC001082519991 806185014 /nfs/dbraw/zinc/18/50/14/806185014.db2.gz SQPRAODLLBJSMJ-DDHJBXDOSA-N 1 3 282.388 -0.752 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(N)=O ZINC001082519991 806185017 /nfs/dbraw/zinc/18/50/17/806185017.db2.gz SQPRAODLLBJSMJ-DDHJBXDOSA-N 1 3 282.388 -0.752 20 0 CBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCO ZINC001082740823 806193907 /nfs/dbraw/zinc/19/39/07/806193907.db2.gz HKAGZHFJXBDBGF-JHJVBQTASA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(N)=O ZINC001082863515 806197198 /nfs/dbraw/zinc/19/71/98/806197198.db2.gz GUUUJFZXDSQCKE-GRYCIOLGSA-N 1 3 294.399 -0.608 20 0 CBADHO CCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466153 806334852 /nfs/dbraw/zinc/33/48/52/806334852.db2.gz IHPDKUGLHVIEOJ-MJBXVCDLSA-N 1 3 281.400 -0.101 20 0 CBADHO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782876 806431610 /nfs/dbraw/zinc/43/16/10/806431610.db2.gz PXXBNDBNZJIWPO-UPJWGTAASA-N 1 3 299.415 -0.740 20 0 CBADHO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782876 806431614 /nfs/dbraw/zinc/43/16/14/806431614.db2.gz PXXBNDBNZJIWPO-UPJWGTAASA-N 1 3 299.415 -0.740 20 0 CBADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056699 806481723 /nfs/dbraw/zinc/48/17/23/806481723.db2.gz KHRULUZXFJQEPY-XQQFMLRXSA-N 1 3 269.389 -0.245 20 0 CBADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056699 806481731 /nfs/dbraw/zinc/48/17/31/806481731.db2.gz KHRULUZXFJQEPY-XQQFMLRXSA-N 1 3 269.389 -0.245 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)C1 ZINC001084831389 806538335 /nfs/dbraw/zinc/53/83/35/806538335.db2.gz JPRODHKNQKUYPO-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)C1 ZINC001084831389 806538341 /nfs/dbraw/zinc/53/83/41/806538341.db2.gz JPRODHKNQKUYPO-HZSPNIEDSA-N 1 3 281.400 -0.147 20 0 CBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1 ZINC001085319616 806553246 /nfs/dbraw/zinc/55/32/46/806553246.db2.gz GGRVLFAJIUNTCR-CHWSQXEVSA-N 1 3 296.415 -0.170 20 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ZINC001027893786 799092415 /nfs/dbraw/zinc/09/24/15/799092415.db2.gz GEDDNTWIDDMQHT-FRRDWIJNSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947799 799565585 /nfs/dbraw/zinc/56/55/85/799565585.db2.gz KMIFJODWODVGMR-LLVKDONJSA-N 1 3 269.389 -0.243 20 0 CBADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CCO)C1 ZINC001033398157 799749220 /nfs/dbraw/zinc/74/92/20/799749220.db2.gz WCNUMPOKZNMMLF-CYBMUJFWSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(CCCO)C1 ZINC001033592823 799768726 /nfs/dbraw/zinc/76/87/26/799768726.db2.gz IABMNYGNICVLLJ-ZDUSSCGKSA-N 1 3 281.400 -0.003 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033663179 799778847 /nfs/dbraw/zinc/77/88/47/799778847.db2.gz UNGUNFMIBJSGNH-VXGBXAGGSA-N 1 3 255.362 -0.537 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001033663179 799778853 /nfs/dbraw/zinc/77/88/53/799778853.db2.gz UNGUNFMIBJSGNH-VXGBXAGGSA-N 1 3 255.362 -0.537 20 0 CBADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001034040570 799808073 /nfs/dbraw/zinc/80/80/73/799808073.db2.gz VNLDUTZGIXDFTA-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCO)C1 ZINC001034040570 799808082 /nfs/dbraw/zinc/80/80/82/799808082.db2.gz VNLDUTZGIXDFTA-QWHCGFSZSA-N 1 3 269.389 -0.147 20 0 CBADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(N)=O ZINC001037933017 800025334 /nfs/dbraw/zinc/02/53/34/800025334.db2.gz KEDWSCOPZVAMER-ZYHUDNBSSA-N 1 3 293.371 -0.346 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047597808 801907984 /nfs/dbraw/zinc/90/79/84/801907984.db2.gz GIFNQGVBPAILRV-AGIUHOORSA-N 1 3 269.389 -0.148 20 0 CBADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047597808 801907989 /nfs/dbraw/zinc/90/79/89/801907989.db2.gz GIFNQGVBPAILRV-AGIUHOORSA-N 1 3 269.389 -0.148 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047598507 801909368 /nfs/dbraw/zinc/90/93/68/801909368.db2.gz MDKQHPYTNZGRRO-KBPBESRZSA-N 1 3 293.411 -0.004 20 0 CBADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598580 801909565 /nfs/dbraw/zinc/90/95/65/801909565.db2.gz PPMUCBKKWBPVMN-STQMWFEESA-N 1 3 281.400 -0.006 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047627675 801915423 /nfs/dbraw/zinc/91/54/23/801915423.db2.gz TXKOMKFJCSHVGV-RDBSUJKOSA-N 1 3 281.400 -0.148 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047627675 801915425 /nfs/dbraw/zinc/91/54/25/801915425.db2.gz TXKOMKFJCSHVGV-RDBSUJKOSA-N 1 3 281.400 -0.148 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049056934 801995882 /nfs/dbraw/zinc/99/58/82/801995882.db2.gz DSHBFEJSSZRWOE-MELADBBJSA-N 1 3 281.400 -0.147 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049056934 801995884 /nfs/dbraw/zinc/99/58/84/801995884.db2.gz DSHBFEJSSZRWOE-MELADBBJSA-N 1 3 281.400 -0.147 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050680346 802070434 /nfs/dbraw/zinc/07/04/34/802070434.db2.gz BXDRAWGMCNEPTA-UHFFFAOYSA-N 1 3 278.356 -0.131 20 0 CBADHO CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001051848330 802169572 /nfs/dbraw/zinc/16/95/72/802169572.db2.gz PFJRHILQKMCDJP-NSHDSACASA-N 1 3 252.318 -0.211 20 0 CBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCO ZINC001054734982 802366092 /nfs/dbraw/zinc/36/60/92/802366092.db2.gz HCUNUUWSUACATA-VXGBXAGGSA-N 1 3 269.389 -0.101 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122107308 813118295 /nfs/dbraw/zinc/11/82/95/813118295.db2.gz BEPYTSLOKWVUCZ-YVECIDJPSA-N 1 3 266.389 -0.463 20 0 CBADHO CC(C)(O)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001122133719 813121398 /nfs/dbraw/zinc/12/13/98/813121398.db2.gz GDMLQMPSSUJECO-HTQZYQBOSA-N 1 3 265.304 -0.554 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCCCN1C ZINC001122368085 813155161 /nfs/dbraw/zinc/15/51/61/813155161.db2.gz MGUHCRIFZITPMG-SRVKXCTJSA-N 1 3 257.378 -0.197 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C(N)=O ZINC001129329536 813838060 /nfs/dbraw/zinc/83/80/60/813838060.db2.gz YDNFHLSTJVEPSX-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C(N)=O ZINC001129329536 813838071 /nfs/dbraw/zinc/83/80/71/813838071.db2.gz YDNFHLSTJVEPSX-STQMWFEESA-N 1 3 298.431 -0.066 20 0 CBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291192 814237001 /nfs/dbraw/zinc/23/70/01/814237001.db2.gz KZSBVCAKPZVGGM-LLVKDONJSA-N 1 3 272.393 -0.441 20 0 CBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001133291652 814237828 /nfs/dbraw/zinc/23/78/28/814237828.db2.gz USRMHPNTMGJENY-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CCN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291330 814238192 /nfs/dbraw/zinc/23/81/92/814238192.db2.gz PNGFNUYLAJGHEU-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@H](NC(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291686 814238358 /nfs/dbraw/zinc/23/83/58/814238358.db2.gz WFYYKZFRSCZGJN-NSHDSACASA-N 1 3 284.404 -0.441 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001133294536 814238443 /nfs/dbraw/zinc/23/84/43/814238443.db2.gz MLKHGMLPAHIPHL-UHFFFAOYSA-N 1 3 296.371 -0.447 20 0 CBADHO CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415663 814249338 /nfs/dbraw/zinc/24/93/38/814249338.db2.gz JPIOYKHOOSRQKW-GFCCVEGCSA-N 1 3 272.393 -0.586 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001133415753 814249658 /nfs/dbraw/zinc/24/96/58/814249658.db2.gz MUZPQVQXHBMGNC-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+](C)C ZINC001133415752 814249754 /nfs/dbraw/zinc/24/97/54/814249754.db2.gz MUZPQVQXHBMGNC-NWDGAFQWSA-N 1 3 284.404 -0.443 20 0 CBADHO CN(C)C(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360380 814939034 /nfs/dbraw/zinc/93/90/34/814939034.db2.gz RXHNMMQVUFBTJN-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NCC1CC1 ZINC001148359999 814939923 /nfs/dbraw/zinc/93/99/23/814939923.db2.gz JPDSEWQDMBRXBA-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001148577822 814950461 /nfs/dbraw/zinc/95/04/61/814950461.db2.gz FEUFUYMAFFRYEF-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001148577822 814950463 /nfs/dbraw/zinc/95/04/63/814950463.db2.gz FEUFUYMAFFRYEF-LBPRGKRZSA-N 1 3 286.420 -0.099 20 0 CBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(N)=O ZINC001148573590 814951481 /nfs/dbraw/zinc/95/14/81/814951481.db2.gz VUQSSUREPTVUPF-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(N)=O ZINC001148573590 814951482 /nfs/dbraw/zinc/95/14/82/814951482.db2.gz VUQSSUREPTVUPF-SNVBAGLBSA-N 1 3 258.366 -0.702 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001148643395 814954387 /nfs/dbraw/zinc/95/43/87/814954387.db2.gz YFNVBASOLFKKNR-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001148638824 814955224 /nfs/dbraw/zinc/95/52/24/814955224.db2.gz TXQNVUYEUBRIOJ-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)CCC ZINC001148654826 814956099 /nfs/dbraw/zinc/95/60/99/814956099.db2.gz BMNXHZKEPVEEIF-LBPRGKRZSA-N 1 3 286.420 -0.051 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CCC ZINC001148654825 814956229 /nfs/dbraw/zinc/95/62/29/814956229.db2.gz BMNXHZKEPVEEIF-GFCCVEGCSA-N 1 3 286.420 -0.051 20 0 CBADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148843415 814958649 /nfs/dbraw/zinc/95/86/49/814958649.db2.gz HKABDCFRKQGOPC-UHFFFAOYSA-N 1 3 269.389 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148843415 814958653 /nfs/dbraw/zinc/95/86/53/814958653.db2.gz HKABDCFRKQGOPC-UHFFFAOYSA-N 1 3 269.389 -0.147 20 0 CBADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001322442453 803896804 /nfs/dbraw/zinc/89/68/04/803896804.db2.gz LZBLRZAGRYWCLI-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCCN1C ZINC001322442860 803897060 /nfs/dbraw/zinc/89/70/60/803897060.db2.gz PFBPDSSJKJKIAV-ZDUSSCGKSA-N 1 3 296.415 -0.249 20 0 CBADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001322442454 803897129 /nfs/dbraw/zinc/89/71/29/803897129.db2.gz LZBLRZAGRYWCLI-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001322442452 803897409 /nfs/dbraw/zinc/89/74/09/803897409.db2.gz LZBLRZAGRYWCLI-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCCN1C ZINC001322648447 803923242 /nfs/dbraw/zinc/92/32/42/803923242.db2.gz MKYXGSJCYJEXDY-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322684846 803928057 /nfs/dbraw/zinc/92/80/57/803928057.db2.gz CPWHOLGESAYNNF-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC(N)=O)N(C)C ZINC001322698779 803929761 /nfs/dbraw/zinc/92/97/61/803929761.db2.gz BWHSVKAQNSMFHV-JTQLQIEISA-N 1 3 258.366 -0.750 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC1(C)C ZINC001325702761 804305475 /nfs/dbraw/zinc/30/54/75/804305475.db2.gz BCOWLXGXYKDBIT-LBPRGKRZSA-N 1 3 298.431 -0.147 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150240967 815022346 /nfs/dbraw/zinc/02/23/46/815022346.db2.gz KFQOBPNOJVQUPE-ZDUSSCGKSA-N 1 3 287.404 -0.472 20 0 CBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048445 815051381 /nfs/dbraw/zinc/05/13/81/815051381.db2.gz BBYYASNMYVWEEB-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048445 815051388 /nfs/dbraw/zinc/05/13/88/815051388.db2.gz BBYYASNMYVWEEB-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048487 815051668 /nfs/dbraw/zinc/05/16/68/815051668.db2.gz BOVKNYZEHGLWDJ-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048487 815051673 /nfs/dbraw/zinc/05/16/73/815051673.db2.gz BOVKNYZEHGLWDJ-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001151048611 815053197 /nfs/dbraw/zinc/05/31/97/815053197.db2.gz CSLOBMBYXJCUMT-CYBMUJFWSA-N 1 3 296.415 -0.440 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001151048611 815053201 /nfs/dbraw/zinc/05/32/01/815053201.db2.gz CSLOBMBYXJCUMT-CYBMUJFWSA-N 1 3 296.415 -0.440 20 0 CBADHO CCN(C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151066102 815056820 /nfs/dbraw/zinc/05/68/20/815056820.db2.gz QAZFTVQLYHTTQH-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151066102 815056828 /nfs/dbraw/zinc/05/68/28/815056828.db2.gz QAZFTVQLYHTTQH-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151055990 815054785 /nfs/dbraw/zinc/05/47/85/815054785.db2.gz JTBPRGYJUWFOCC-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CN1CCC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151055990 815054791 /nfs/dbraw/zinc/05/47/91/815054791.db2.gz JTBPRGYJUWFOCC-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065645 815057146 /nfs/dbraw/zinc/05/71/46/815057146.db2.gz LUVMBIZMXCWEGO-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065645 815057150 /nfs/dbraw/zinc/05/71/50/815057150.db2.gz LUVMBIZMXCWEGO-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151065838 815057753 /nfs/dbraw/zinc/05/77/53/815057753.db2.gz NLNFATAENZXDNJ-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CCCC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151065838 815057757 /nfs/dbraw/zinc/05/77/57/815057757.db2.gz NLNFATAENZXDNJ-NWDGAFQWSA-N 1 3 284.404 -0.312 20 0 CBADHO CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151066980 815057835 /nfs/dbraw/zinc/05/78/35/815057835.db2.gz ZSBNTDRVTZLSGF-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151066980 815057841 /nfs/dbraw/zinc/05/78/41/815057841.db2.gz ZSBNTDRVTZLSGF-OLZOCXBDSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074066 815058739 /nfs/dbraw/zinc/05/87/39/815058739.db2.gz UPBDTOKNANHQHB-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074066 815058743 /nfs/dbraw/zinc/05/87/43/815058743.db2.gz UPBDTOKNANHQHB-STQMWFEESA-N 1 3 298.431 -0.195 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073460 815059346 /nfs/dbraw/zinc/05/93/46/815059346.db2.gz LPLDORUUFRXPHB-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001151073460 815059354 /nfs/dbraw/zinc/05/93/54/815059354.db2.gz LPLDORUUFRXPHB-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCO)C2)C1CCC1 ZINC001072817002 805338141 /nfs/dbraw/zinc/33/81/41/805338141.db2.gz LLQVQBRXVDIBLI-UHFFFAOYSA-N 1 3 281.400 -0.003 20 0 CBADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C1CCC1 ZINC001072817002 805338149 /nfs/dbraw/zinc/33/81/49/805338149.db2.gz LLQVQBRXVDIBLI-UHFFFAOYSA-N 1 3 281.400 -0.003 20 0 CBADHO O=C(NC[C@@H]1CN(CCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861533 805421967 /nfs/dbraw/zinc/42/19/67/805421967.db2.gz DZWIOTNMFDCVKJ-CYBMUJFWSA-N 1 3 297.399 -0.718 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073892024 805423650 /nfs/dbraw/zinc/42/36/50/805423650.db2.gz WTGSQZHUWWLQGE-QWHCGFSZSA-N 1 3 285.388 -0.863 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073892024 805423652 /nfs/dbraw/zinc/42/36/52/805423652.db2.gz WTGSQZHUWWLQGE-QWHCGFSZSA-N 1 3 285.388 -0.863 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073892023 805423862 /nfs/dbraw/zinc/42/38/62/805423862.db2.gz WTGSQZHUWWLQGE-OLZOCXBDSA-N 1 3 285.388 -0.863 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073892023 805423866 /nfs/dbraw/zinc/42/38/66/805423866.db2.gz WTGSQZHUWWLQGE-OLZOCXBDSA-N 1 3 285.388 -0.863 20 0 CBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N(C)C ZINC001152148414 815107566 /nfs/dbraw/zinc/10/75/66/815107566.db2.gz PPWKIYBUNVAWGJ-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](NCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152237174 815112770 /nfs/dbraw/zinc/11/27/70/815112770.db2.gz JFQVLJSSVWBFIN-LBPRGKRZSA-N 1 3 284.404 -0.168 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152236838 815112843 /nfs/dbraw/zinc/11/28/43/815112843.db2.gz GEEXWCXXSKGXDR-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001152433166 815120966 /nfs/dbraw/zinc/12/09/66/815120966.db2.gz WDHMLBIHUFWGHM-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001152445565 815122249 /nfs/dbraw/zinc/12/22/49/815122249.db2.gz JHQREJSVJCFCTJ-CYBMUJFWSA-N 1 3 297.403 -0.710 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152451913 815122663 /nfs/dbraw/zinc/12/26/63/815122663.db2.gz MACPZQNZRGHKPJ-CHWSQXEVSA-N 1 3 296.415 -0.155 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480590 815124199 /nfs/dbraw/zinc/12/41/99/815124199.db2.gz XMXVZTKZUICBIC-CHWSQXEVSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001152458757 815124325 /nfs/dbraw/zinc/12/43/25/815124325.db2.gz SNXKCTGYWKPUFM-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001152471556 815124525 /nfs/dbraw/zinc/12/45/25/815124525.db2.gz MCNKPEDXJRRQEW-OLZOCXBDSA-N 1 3 296.415 -0.299 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2ncnn2c1 ZINC001152862004 815139417 /nfs/dbraw/zinc/13/94/17/815139417.db2.gz PGUCVROGYFJNHT-UHFFFAOYSA-N 1 3 275.316 -0.196 20 0 CBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc3c(n2)CCNC3)N1 ZINC001155570631 815294538 /nfs/dbraw/zinc/29/45/38/815294538.db2.gz NWIGYJXOODKBSE-GWCFXTLKSA-N 1 3 274.328 -0.888 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160636571 815648072 /nfs/dbraw/zinc/64/80/72/815648072.db2.gz INCBBXLCKGZITH-QWRGUYRKSA-N 1 3 266.349 -0.492 20 0 CBADHO CC(C)(C(=O)N[C@H]1CCN(CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001090490665 810508381 /nfs/dbraw/zinc/50/83/81/810508381.db2.gz SUCYSZXOGQHFNB-QWHCGFSZSA-N 1 3 299.415 -0.596 20 0 CBADHO O=C(N[C@H]1CCN(CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731129 810560204 /nfs/dbraw/zinc/56/02/04/810560204.db2.gz PQWLWTMOTVIYOB-QWHCGFSZSA-N 1 3 297.399 -0.984 20 0 CBADHO O=C(N1CC(N[C@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001157012614 815399844 /nfs/dbraw/zinc/39/98/44/815399844.db2.gz JTLSABRPTVCSSY-NSHDSACASA-N 1 3 265.357 -0.329 20 0 CBADHO O=C(N1CC(N[C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001157012613 815400171 /nfs/dbraw/zinc/40/01/71/815400171.db2.gz JTLSABRPTVCSSY-LLVKDONJSA-N 1 3 265.357 -0.329 20 0 CBADHO Cn1nnc2c1ncnc2NC(=N)NCCCC[NH3+] ZINC001157099571 815405527 /nfs/dbraw/zinc/40/55/27/815405527.db2.gz QMWACVBXMKAJPM-UHFFFAOYSA-N 1 3 263.309 -0.567 20 0 CBADHO COC(=O)[C@@H](CCC[NH3+])Nc1cc(CN)ncn1 ZINC001157114127 815406488 /nfs/dbraw/zinc/40/64/88/815406488.db2.gz BAIVTWUXICSPDJ-SECBINFHSA-N 1 3 253.306 -0.372 20 0 CBADHO CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971097 810980449 /nfs/dbraw/zinc/98/04/49/810980449.db2.gz AMCFVGODDGYRRH-RYUDHWBXSA-N 1 3 269.389 -0.101 20 0 CBADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099973615 810982012 /nfs/dbraw/zinc/98/20/12/810982012.db2.gz GGXNJOUVKHVCJF-QWHCGFSZSA-N 1 3 287.404 -0.738 20 0 CBADHO CCOCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988245 810986490 /nfs/dbraw/zinc/98/64/90/810986490.db2.gz FTHDRPVOIAXHII-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132557 811027111 /nfs/dbraw/zinc/02/71/11/811027111.db2.gz VQXADHHTRZJLLP-RYUDHWBXSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132557 811027115 /nfs/dbraw/zinc/02/71/15/811027115.db2.gz VQXADHHTRZJLLP-RYUDHWBXSA-N 1 3 257.378 -0.102 20 0 CBADHO CCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064200 811010439 /nfs/dbraw/zinc/01/04/39/811010439.db2.gz JUMSQCIIPUXPBH-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064200 811010443 /nfs/dbraw/zinc/01/04/43/811010443.db2.gz JUMSQCIIPUXPBH-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001100064170 811010561 /nfs/dbraw/zinc/01/05/61/811010561.db2.gz JHFNJXVKUQLXSW-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001100064170 811010570 /nfs/dbraw/zinc/01/05/70/811010570.db2.gz JHFNJXVKUQLXSW-OLZOCXBDSA-N 1 3 287.404 -0.474 20 0 CBADHO CCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076527 811015275 /nfs/dbraw/zinc/01/52/75/811015275.db2.gz MQDZTXUPVRSLRD-RYUDHWBXSA-N 1 3 273.377 -0.864 20 0 CBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407596 811057029 /nfs/dbraw/zinc/05/70/29/811057029.db2.gz BSDCHOQGXYGMOO-MMWSSPAHSA-N 1 3 296.415 -0.443 20 0 CBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC)C1)N(C)C ZINC001100683629 811072490 /nfs/dbraw/zinc/07/24/90/811072490.db2.gz KTVQUFVPKNRBDV-MCIGGMRASA-N 1 3 284.404 -0.443 20 0 CBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100901856 811084907 /nfs/dbraw/zinc/08/49/07/811084907.db2.gz RGVAGALFESKNQQ-VOMCLLRMSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292518 811147644 /nfs/dbraw/zinc/14/76/44/811147644.db2.gz RAIXEGDTASHROG-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102496361 811158961 /nfs/dbraw/zinc/15/89/61/811158961.db2.gz RJDXGFHIHGOGJX-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102496361 811158964 /nfs/dbraw/zinc/15/89/64/811158964.db2.gz RJDXGFHIHGOGJX-JHJVBQTASA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782978 811168536 /nfs/dbraw/zinc/16/85/36/811168536.db2.gz SDWZMFFIGVYZKI-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782978 811168539 /nfs/dbraw/zinc/16/85/39/811168539.db2.gz SDWZMFFIGVYZKI-UPJWGTAASA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106340489 811305199 /nfs/dbraw/zinc/30/51/99/811305199.db2.gz ZWZAXEZCVKPECE-VXGBXAGGSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001107040773 811322857 /nfs/dbraw/zinc/32/28/57/811322857.db2.gz MUJFCJYFGVPTKF-FRRDWIJNSA-N 1 3 298.431 -0.116 20 0 CBADHO CNC(=O)C1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001157494836 815439037 /nfs/dbraw/zinc/43/90/37/815439037.db2.gz BWGAZZKTWFOMFQ-GFCCVEGCSA-N 1 3 282.388 -0.702 20 0 CBADHO CN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157519285 815441506 /nfs/dbraw/zinc/44/15/06/815441506.db2.gz MKAAJINOTWZEHI-SSDOTTSWSA-N 1 3 251.252 -0.184 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1F ZINC001157536267 815442078 /nfs/dbraw/zinc/44/20/78/815442078.db2.gz KEDXCKAMCKTIDO-PRJMDXOYSA-N 1 3 251.252 -0.261 20 0 CBADHO CN(CC(=O)N1C[C@@H](F)[C@@H](N)C1)[C@@H]1CCC[NH2+]C1 ZINC001157538071 815443893 /nfs/dbraw/zinc/44/38/93/815443893.db2.gz GYHXTKWMBNMUQE-MXWKQRLJSA-N 1 3 258.341 -0.822 20 0 CBADHO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157537610 815444028 /nfs/dbraw/zinc/44/40/28/815444028.db2.gz BVPOOMZPZMGYET-BBBLOLIVSA-N 1 3 289.351 -0.057 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[C@H]1F ZINC001157537138 815444204 /nfs/dbraw/zinc/44/42/04/815444204.db2.gz YSXYETMYDVCTBW-HPENLJRUSA-N 1 3 257.309 -0.739 20 0 CBADHO N[C@H]1CN(C(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545700 815444968 /nfs/dbraw/zinc/44/49/68/815444968.db2.gz YZHUUCSEPJYZEQ-RNJOBUHISA-N 1 3 284.379 -0.290 20 0 CBADHO N[C@H]1CN(C(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC001157545697 815445286 /nfs/dbraw/zinc/44/52/86/815445286.db2.gz YZHUUCSEPJYZEQ-FVCCEPFGSA-N 1 3 284.379 -0.290 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2cnccc2C1 ZINC001157566700 815446250 /nfs/dbraw/zinc/44/62/50/815446250.db2.gz DNMNDWSTSGGNFK-ZDUSSCGKSA-N 1 3 272.352 -0.225 20 0 CBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CC(C)([NH3+])C1 ZINC001157644680 815450566 /nfs/dbraw/zinc/45/05/66/815450566.db2.gz VKCMUPSEWKWGLC-SECBINFHSA-N 1 3 271.361 -0.005 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC(C)([NH3+])C1 ZINC001157650899 815450636 /nfs/dbraw/zinc/45/06/36/815450636.db2.gz GYTCLLNEDULUIS-WPRPVWTQSA-N 1 3 256.350 -0.964 20 0 CBADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001109980216 811505758 /nfs/dbraw/zinc/50/57/58/811505758.db2.gz LUZOYLDPZJPRQE-RDBSUJKOSA-N 1 3 299.415 -0.332 20 0 CBADHO C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCO1 ZINC001157704268 815454093 /nfs/dbraw/zinc/45/40/93/815454093.db2.gz WJKAAOIFJPZKHM-YRGRVCCFSA-N 1 3 267.373 -0.177 20 0 CBADHO N[C@@H](C(=O)N1CCOCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001157708465 815455158 /nfs/dbraw/zinc/45/51/58/815455158.db2.gz QONQTIOTASJPJI-SNVBAGLBSA-N 1 3 277.315 -0.193 20 0 CBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157717164 815456444 /nfs/dbraw/zinc/45/64/44/815456444.db2.gz XJWRMLZSOILGIO-JOYOIKCWSA-N 1 3 275.324 -0.444 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001157720217 815456783 /nfs/dbraw/zinc/45/67/83/815456783.db2.gz CUHGDTPHYDDQOK-AXFHLTTASA-N 1 3 259.325 -0.619 20 0 CBADHO CN(C[C@@H]1CNCCO1)C(=O)C1CC2(C[NH2+]C2)C1 ZINC001157717364 815456889 /nfs/dbraw/zinc/45/68/89/815456889.db2.gz ZVMZDVKHRJUEGK-NSHDSACASA-N 1 3 253.346 -0.567 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(F)(F)CC[C@@H]1CO ZINC001157730037 815458197 /nfs/dbraw/zinc/45/81/97/815458197.db2.gz GYWINQOGCYVAML-ZJUUUORDSA-N 1 3 289.326 -0.586 20 0 CBADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](N)Cc1cccc(O)c1 ZINC001157716106 815455642 /nfs/dbraw/zinc/45/56/42/815455642.db2.gz KTXUXCQYLYJNRS-UONOGXRCSA-N 1 3 293.367 -0.291 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114353112 811743904 /nfs/dbraw/zinc/74/39/04/811743904.db2.gz MTFCFKFAVGURAU-XQHKEYJVSA-N 1 3 287.379 -0.295 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114353112 811743912 /nfs/dbraw/zinc/74/39/12/811743912.db2.gz MTFCFKFAVGURAU-XQHKEYJVSA-N 1 3 287.379 -0.295 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114353109 811744148 /nfs/dbraw/zinc/74/41/48/811744148.db2.gz MTFCFKFAVGURAU-QNWHQSFQSA-N 1 3 287.379 -0.295 20 0 CBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114353109 811744155 /nfs/dbraw/zinc/74/41/55/811744155.db2.gz MTFCFKFAVGURAU-QNWHQSFQSA-N 1 3 287.379 -0.295 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114462789 811749981 /nfs/dbraw/zinc/74/99/81/811749981.db2.gz ACLHIBQXNMTNSG-RQJABVFESA-N 1 3 299.415 -0.618 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114462789 811749987 /nfs/dbraw/zinc/74/99/87/811749987.db2.gz ACLHIBQXNMTNSG-RQJABVFESA-N 1 3 299.415 -0.618 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCC(=O)[C@@H](F)C1 ZINC001157856502 815473555 /nfs/dbraw/zinc/47/35/55/815473555.db2.gz UXENWXPRESNHMF-UWVGGRQHSA-N 1 3 259.325 -0.028 20 0 CBADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157856977 815474858 /nfs/dbraw/zinc/47/48/58/815474858.db2.gz YKYBTEKRVCOGAD-NTZNESFSSA-N 1 3 269.389 -0.067 20 0 CBADHO C[C@@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001157901037 815478605 /nfs/dbraw/zinc/47/86/05/815478605.db2.gz VTHRQQNTHMPUMZ-TZMCWYRMSA-N 1 3 281.400 -0.194 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904085 815480411 /nfs/dbraw/zinc/48/04/11/815480411.db2.gz IXPWLJUEBZMVJQ-AVGNSLFASA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904085 815480414 /nfs/dbraw/zinc/48/04/14/815480414.db2.gz IXPWLJUEBZMVJQ-AVGNSLFASA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904087 815480443 /nfs/dbraw/zinc/48/04/43/815480443.db2.gz IXPWLJUEBZMVJQ-RWMBFGLXSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904087 815480446 /nfs/dbraw/zinc/48/04/46/815480446.db2.gz IXPWLJUEBZMVJQ-RWMBFGLXSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934720 815487505 /nfs/dbraw/zinc/48/75/05/815487505.db2.gz NYDCADLFTXEWEZ-RWMBFGLXSA-N 1 3 297.399 -0.938 20 0 CBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934720 815487508 /nfs/dbraw/zinc/48/75/08/815487508.db2.gz NYDCADLFTXEWEZ-RWMBFGLXSA-N 1 3 297.399 -0.938 20 0 CBADHO C[C@@]1(CO)CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]1O ZINC001157947129 815491008 /nfs/dbraw/zinc/49/10/08/815491008.db2.gz QRJJHENGMLVWLL-GVXVVHGQSA-N 1 3 273.377 -0.966 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@](F)(CO)CC1 ZINC001157935902 815488649 /nfs/dbraw/zinc/48/86/49/815488649.db2.gz XHOUUVRMKMWRBT-FZMZJTMJSA-N 1 3 285.363 -0.492 20 0 CBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CCC[NH3+] ZINC001158014473 815498025 /nfs/dbraw/zinc/49/80/25/815498025.db2.gz LXWCVNFICGCPDE-CIUDSAMLSA-N 1 3 261.297 -0.835 20 0 CBADHO N[C@@H](CC(F)F)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077881 815502474 /nfs/dbraw/zinc/50/24/74/815502474.db2.gz YWTCWFOEUYRAOI-VIFPVBQESA-N 1 3 277.315 -0.050 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082240 815502677 /nfs/dbraw/zinc/50/26/77/815502677.db2.gz MJKUNDQAFMPMCF-WLRWDXFRSA-N 1 3 287.429 -0.188 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(COC2)C1 ZINC001158169680 815508183 /nfs/dbraw/zinc/50/81/83/815508183.db2.gz WZHXLVMJCSRPNL-SNVBAGLBSA-N 1 3 251.330 -0.956 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(COC2)C1 ZINC001158169679 815508374 /nfs/dbraw/zinc/50/83/74/815508374.db2.gz WZHXLVMJCSRPNL-JTQLQIEISA-N 1 3 251.330 -0.956 20 0 CBADHO Cc1nc(CC[NH3+])nn1-c1ncc2c(n1)CCNC2 ZINC001158129095 815505881 /nfs/dbraw/zinc/50/58/81/815505881.db2.gz NXRIQNQDFBAYNI-UHFFFAOYSA-N 1 3 259.317 -0.487 20 0 CBADHO CN1CCC(O)(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158208041 815513590 /nfs/dbraw/zinc/51/35/90/815513590.db2.gz JOCKYDVHHMRMSW-WDEREUQCSA-N 1 3 253.346 -0.594 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170108 815509374 /nfs/dbraw/zinc/50/93/74/815509374.db2.gz VUDSEKRSNKDFGJ-WLRWDXFRSA-N 1 3 287.429 -0.173 20 0 CBADHO O=C([C@H]1CNCc2ccnn2C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192887 815511720 /nfs/dbraw/zinc/51/17/20/815511720.db2.gz HVIWDJVZNVZUOQ-WCFLWFBJSA-N 1 3 275.356 -0.435 20 0 CBADHO O=C([C@H]1[NH2+]CC[C@@H]1O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335273 815520407 /nfs/dbraw/zinc/52/04/07/815520407.db2.gz QAJKNYDPQCMHKL-XGUBFFRZSA-N 1 3 287.363 -0.193 20 0 CBADHO O=C([C@H]1C[NH2+]C[C@@H]1O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336011 815520945 /nfs/dbraw/zinc/52/09/45/815520945.db2.gz GDHLZBVRUOUROM-XQLPTFJDSA-N 1 3 287.363 -0.336 20 0 CBADHO N[C@@H](CC[NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337538 815521811 /nfs/dbraw/zinc/52/18/11/815521811.db2.gz XADMYYRNTMSOPU-MELADBBJSA-N 1 3 274.368 -0.240 20 0 CBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422342 815528423 /nfs/dbraw/zinc/52/84/23/815528423.db2.gz KGNDHURDEJXGAD-ZDEQEGDKSA-N 1 3 296.415 -0.173 20 0 CBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)CC(F)F)CCO1 ZINC001118140321 812478149 /nfs/dbraw/zinc/47/81/49/812478149.db2.gz LXUXTIXOWAVYQA-XLPZGREQSA-N 1 3 251.277 -0.457 20 0 CBADHO C[C@H](C[NH3+])C(=O)NCCCCN1CCN(C)CC1 ZINC001118190115 812488166 /nfs/dbraw/zinc/48/81/66/812488166.db2.gz RDLHKQFCYYRNGV-GFCCVEGCSA-N 1 3 256.394 -0.275 20 0 CBADHO O[C@H]1CCC[C@H]1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118223229 812499151 /nfs/dbraw/zinc/49/91/51/812499151.db2.gz OWNOLKPPBBMXMB-CABCVRRESA-N 1 3 282.432 -0.577 20 0 CBADHO [NH3+]CCCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118481941 812553811 /nfs/dbraw/zinc/55/38/11/812553811.db2.gz GSDAWZDQWQADHP-UHFFFAOYSA-N 1 3 268.321 -0.821 20 0 CBADHO COCCNCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118506419 812562294 /nfs/dbraw/zinc/56/22/94/812562294.db2.gz MNCFKEDYDBTHFO-ZDUSSCGKSA-N 1 3 285.388 -0.408 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC001118572989 812580161 /nfs/dbraw/zinc/58/01/61/812580161.db2.gz ZDGCXRQQOPLQMG-UONOGXRCSA-N 1 3 298.431 -0.506 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001118572987 812580962 /nfs/dbraw/zinc/58/09/62/812580962.db2.gz ZDGCXRQQOPLQMG-KGLIPLIRSA-N 1 3 298.431 -0.506 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001119296524 812745299 /nfs/dbraw/zinc/74/52/99/812745299.db2.gz VBFRVVFQYRIXGJ-OLZOCXBDSA-N 1 3 286.395 -0.312 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC001119355890 812765469 /nfs/dbraw/zinc/76/54/69/812765469.db2.gz ZRSDJBKAJZXSAE-GFCCVEGCSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC001119381760 812772950 /nfs/dbraw/zinc/77/29/50/812772950.db2.gz YKEKJLZBELPMKE-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COC[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])Cc2cn(C)nc21 ZINC001159018294 815555453 /nfs/dbraw/zinc/55/54/53/815555453.db2.gz LEQGZGZFEYJIDL-VXGBXAGGSA-N 1 3 295.387 -0.442 20 0 CBADHO COCc1[nH]nc2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001159090961 815558890 /nfs/dbraw/zinc/55/88/90/815558890.db2.gz IKBMINNKLWWIJH-XPTSAGLGSA-N 1 3 291.355 -0.650 20 0 CBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC ZINC001159154755 815560516 /nfs/dbraw/zinc/56/05/16/815560516.db2.gz BVJKLSYGGBWCAK-LLVKDONJSA-N 1 3 290.383 -0.492 20 0 CBADHO CN(C)C[C@@H]1NC(=O)N(CCC[NH+]2CCCC2)C1=O ZINC001119693849 812870256 /nfs/dbraw/zinc/87/02/56/812870256.db2.gz SCWWVRFJSUYTMM-NSHDSACASA-N 1 3 268.361 -0.046 20 0 CBADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncnc2c1CC[NH2+]CC2 ZINC001159292117 815567492 /nfs/dbraw/zinc/56/74/92/815567492.db2.gz DLLKKAHTZPQTJN-UHFFFAOYSA-N 1 3 288.355 -0.134 20 0 CBADHO NC[C@H](N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291443 815567625 /nfs/dbraw/zinc/56/76/25/815567625.db2.gz PGXZQAVWWKFUEB-NSHDSACASA-N 1 3 252.362 -0.783 20 0 CBADHO NC[C@H](N)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291443 815567628 /nfs/dbraw/zinc/56/76/28/815567628.db2.gz PGXZQAVWWKFUEB-NSHDSACASA-N 1 3 252.362 -0.783 20 0 CBADHO [NH3+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120625501 813001528 /nfs/dbraw/zinc/00/15/28/813001528.db2.gz JMOSPLLVZPSPAK-VXGBXAGGSA-N 1 3 270.377 -0.424 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001121937511 813093674 /nfs/dbraw/zinc/09/36/74/813093674.db2.gz NFDDPSIZCCQMSL-IVZWLZJFSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001121937513 813093743 /nfs/dbraw/zinc/09/37/43/813093743.db2.gz NFDDPSIZCCQMSL-KXUCPTDWSA-N 1 3 257.334 -0.476 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)N(C)C ZINC001122064135 813111441 /nfs/dbraw/zinc/11/14/41/813111441.db2.gz UJWOBICEGZDRRW-GHMZBOCLSA-N 1 3 255.362 -0.180 20 0 CBADHO CC(C)[C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)N(C)C ZINC001122064138 813111788 /nfs/dbraw/zinc/11/17/88/813111788.db2.gz UJWOBICEGZDRRW-WDEREUQCSA-N 1 3 255.362 -0.180 20 0 CBADHO CCCN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001122075297 813112799 /nfs/dbraw/zinc/11/27/99/813112799.db2.gz KHMJRSAMRCMJKP-DMDPSCGWSA-N 1 3 255.362 -0.300 20 0 CBADHO C[NH2+]C[C@H](O)CN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001122099696 813116878 /nfs/dbraw/zinc/11/68/78/813116878.db2.gz JEQYEBXXYIYPLI-UTUOFQBUSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)nn1)[C@@H]1CNCCO1 ZINC001159495230 815577658 /nfs/dbraw/zinc/57/76/58/815577658.db2.gz DFVSLAZDRTXYLW-NEPJUHHUSA-N 1 3 292.387 -0.325 20 0 CBADHO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CNC3)C2)C1(F)F ZINC001122143962 813123540 /nfs/dbraw/zinc/12/35/40/813123540.db2.gz RVBUIYHNGRZKOF-BWZBUEFSSA-N 1 3 261.272 -0.927 20 0 CBADHO C[C@H](Nc1cc2c(nn1)CC[NH2+]C2)[C@H]1CNCCO1 ZINC001159501682 815578298 /nfs/dbraw/zinc/57/82/98/815578298.db2.gz WYGSLNBEOPWDBS-JOYOIKCWSA-N 1 3 263.345 -0.089 20 0 CBADHO C[C@H](Nc1cc2c(nn1)CCNC2)[C@H]1C[NH2+]CCO1 ZINC001159501682 815578301 /nfs/dbraw/zinc/57/83/01/815578301.db2.gz WYGSLNBEOPWDBS-JOYOIKCWSA-N 1 3 263.345 -0.089 20 0 CBADHO [NH3+]CC[C@@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC001122205267 813133290 /nfs/dbraw/zinc/13/32/90/813133290.db2.gz DTFCYKIQQUBMGR-SECBINFHSA-N 1 3 263.345 -0.134 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CCC2(CC1)CNCCO2 ZINC001122237455 813137292 /nfs/dbraw/zinc/13/72/92/813137292.db2.gz ZMFBRAKHDFYJHU-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@H]1CNCCO1 ZINC001159502962 815579339 /nfs/dbraw/zinc/57/93/39/815579339.db2.gz RHFDWHJKSWMSSY-JOYOIKCWSA-N 1 3 263.345 -0.048 20 0 CBADHO C[C@H](Nc1cc(C2C[NH2+]C2)ncn1)[C@@H]1CNCCO1 ZINC001159502961 815579712 /nfs/dbraw/zinc/57/97/12/815579712.db2.gz RHFDWHJKSWMSSY-CABZTGNLSA-N 1 3 263.345 -0.048 20 0 CBADHO C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC001122295166 813141805 /nfs/dbraw/zinc/14/18/05/813141805.db2.gz FELSNFNQTBJSIR-GRYCIOLGSA-N 1 3 255.362 -0.192 20 0 CBADHO COCC[C@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122295869 813142049 /nfs/dbraw/zinc/14/20/49/813142049.db2.gz DINFPJRSAOWUQW-NSHDSACASA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001122442412 813165409 /nfs/dbraw/zinc/16/54/09/813165409.db2.gz OVPKVAOJWCUIJE-WDEREUQCSA-N 1 3 255.362 -0.219 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494607 813170878 /nfs/dbraw/zinc/17/08/78/813170878.db2.gz HLUPRCSZPYYFOW-VXGBXAGGSA-N 1 3 255.362 -0.129 20 0 CBADHO C[C@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854985 815601349 /nfs/dbraw/zinc/60/13/49/815601349.db2.gz YUJFHNXNDYNJJX-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)N(C)C ZINC001123952206 813299916 /nfs/dbraw/zinc/29/99/16/813299916.db2.gz CPKYDCWUIQLWFC-AAEUAGOBSA-N 1 3 257.378 -0.148 20 0 CBADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124873585 813493426 /nfs/dbraw/zinc/49/34/26/813493426.db2.gz ZFHOTOCFYBLFLW-WDEREUQCSA-N 1 3 268.361 -0.935 20 0 CBADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001124877052 813494398 /nfs/dbraw/zinc/49/43/98/813494398.db2.gz BBKHXRVFIDZGCS-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001124877049 813495108 /nfs/dbraw/zinc/49/51/08/813495108.db2.gz BBKHXRVFIDZGCS-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001124877050 813495121 /nfs/dbraw/zinc/49/51/21/813495121.db2.gz BBKHXRVFIDZGCS-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001127065846 813709107 /nfs/dbraw/zinc/70/91/07/813709107.db2.gz FYETYRJCVMRYEL-OLZOCXBDSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001127065846 813709112 /nfs/dbraw/zinc/70/91/12/813709112.db2.gz FYETYRJCVMRYEL-OLZOCXBDSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001127082560 813712112 /nfs/dbraw/zinc/71/21/12/813712112.db2.gz UYEGNLNFDAJZRH-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001127082560 813712119 /nfs/dbraw/zinc/71/21/19/813712119.db2.gz UYEGNLNFDAJZRH-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474699 813732222 /nfs/dbraw/zinc/73/22/22/813732222.db2.gz NWAOHUXBHGDZJW-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127480501 813734268 /nfs/dbraw/zinc/73/42/68/813734268.db2.gz KLNDBIHRZPKNAE-RYUDHWBXSA-N 1 3 282.388 -0.702 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643797 813738509 /nfs/dbraw/zinc/73/85/09/813738509.db2.gz LOVBLTYOBYXGHT-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127643797 813738514 /nfs/dbraw/zinc/73/85/14/813738514.db2.gz LOVBLTYOBYXGHT-IJLUTSLNSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127639053 813738659 /nfs/dbraw/zinc/73/86/59/813738659.db2.gz SPGBAPZWYCUEOQ-IJLUTSLNSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001127639053 813738663 /nfs/dbraw/zinc/73/86/63/813738663.db2.gz SPGBAPZWYCUEOQ-IJLUTSLNSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127689915 813741235 /nfs/dbraw/zinc/74/12/35/813741235.db2.gz BMNXSWKXSIIBOH-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127689915 813741237 /nfs/dbraw/zinc/74/12/37/813741237.db2.gz BMNXSWKXSIIBOH-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001127701469 813742624 /nfs/dbraw/zinc/74/26/24/813742624.db2.gz PPFOYHNTCAMNJP-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001127701469 813742627 /nfs/dbraw/zinc/74/26/27/813742627.db2.gz PPFOYHNTCAMNJP-RWMBFGLXSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653373 813742692 /nfs/dbraw/zinc/74/26/92/813742692.db2.gz UPPXIUJZIOFPBA-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001127653373 813742697 /nfs/dbraw/zinc/74/26/97/813742697.db2.gz UPPXIUJZIOFPBA-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001128784098 813798763 /nfs/dbraw/zinc/79/87/63/813798763.db2.gz LDSLVGUGCSQKOD-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001128784098 813798772 /nfs/dbraw/zinc/79/87/72/813798772.db2.gz LDSLVGUGCSQKOD-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001129357529 813839690 /nfs/dbraw/zinc/83/96/90/813839690.db2.gz NSRULLXCTIGVSI-NSHDSACASA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001129358030 813839790 /nfs/dbraw/zinc/83/97/90/813839790.db2.gz POCJARZMSIIPAR-JTQLQIEISA-N 1 3 268.361 -0.935 20 0 CBADHO COC[C@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129358546 813839997 /nfs/dbraw/zinc/83/99/97/813839997.db2.gz UEDPDBIGQDQQEE-LLVKDONJSA-N 1 3 273.377 -0.816 20 0 CBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCC1CC1)C1CC1 ZINC001129436080 813842548 /nfs/dbraw/zinc/84/25/48/813842548.db2.gz MHXRBALTYPGOPD-AWEZNQCLSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(C)[C@H](C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001129435913 813842614 /nfs/dbraw/zinc/84/26/14/813842614.db2.gz JWXCZUYXDVBCNL-STQMWFEESA-N 1 3 296.415 -0.347 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436715 813842731 /nfs/dbraw/zinc/84/27/31/813842731.db2.gz RUQKKJCBZVYMRR-FZMZJTMJSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)N1CCC1)C1CC1 ZINC001129436562 813844191 /nfs/dbraw/zinc/84/41/91/813844191.db2.gz RAWJQRGAQQGNJT-CYBMUJFWSA-N 1 3 282.388 -0.735 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444660 813844606 /nfs/dbraw/zinc/84/46/06/813844606.db2.gz WTHLIPMSBQHMRY-CQSZACIVSA-N 1 3 298.431 -0.195 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437216 813844790 /nfs/dbraw/zinc/84/47/90/813844790.db2.gz XWMZQNUWINKYSO-AWEZNQCLSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCn1cccn1)C1CC1 ZINC001129443333 813846194 /nfs/dbraw/zinc/84/61/94/813846194.db2.gz IXWOSFJHQWTSAJ-CYBMUJFWSA-N 1 3 279.388 -0.071 20 0 CBADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001129444680 813846281 /nfs/dbraw/zinc/84/62/81/813846281.db2.gz WZIUOSDNIDLEOW-ZYHUDNBSSA-N 1 3 284.404 -0.491 20 0 CBADHO CN(CC(=O)NCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001129532164 813850445 /nfs/dbraw/zinc/85/04/45/813850445.db2.gz SYKQKTLDGPFBMI-NSHDSACASA-N 1 3 268.361 -0.935 20 0 CBADHO COCCOCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129531716 813850757 /nfs/dbraw/zinc/85/07/57/813850757.db2.gz HEPKKHVVPYZPOG-UHFFFAOYSA-N 1 3 287.404 -0.161 20 0 CBADHO CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)C2CCC2)C1=O ZINC001129531625 813850954 /nfs/dbraw/zinc/85/09/54/813850954.db2.gz CHPJNXLQMLDENT-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129839516 813869821 /nfs/dbraw/zinc/86/98/21/813869821.db2.gz AWROBTJDMYBMBZ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129839516 813869830 /nfs/dbraw/zinc/86/98/30/813869830.db2.gz AWROBTJDMYBMBZ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001129949989 813881413 /nfs/dbraw/zinc/88/14/13/813881413.db2.gz NJLNSUUVPDORTA-AAEUAGOBSA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129946919 813881647 /nfs/dbraw/zinc/88/16/47/813881647.db2.gz AJKNMNNYQASSSL-NSHDSACASA-N 1 3 258.366 -0.976 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949242 813882470 /nfs/dbraw/zinc/88/24/70/813882470.db2.gz ACSRQUDVUDLSJL-MNOVXSKESA-N 1 3 272.393 -0.587 20 0 CBADHO CCCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947123 813882625 /nfs/dbraw/zinc/88/26/25/813882625.db2.gz KWNNVCPYJWEQRH-ZDUSSCGKSA-N 1 3 286.420 -0.195 20 0 CBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001129947127 813882836 /nfs/dbraw/zinc/88/28/36/813882836.db2.gz KZLRIRZFDSZNKF-PWSUYJOCSA-N 1 3 298.387 -0.916 20 0 CBADHO C[C@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130171066 813913640 /nfs/dbraw/zinc/91/36/40/813913640.db2.gz FXYZLVRXLREKTK-NSHDSACASA-N 1 3 282.388 -0.558 20 0 CBADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130201003 813916424 /nfs/dbraw/zinc/91/64/24/813916424.db2.gz RZGNNIYTANCPPZ-VXGBXAGGSA-N 1 3 286.420 -0.053 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001130427930 813937884 /nfs/dbraw/zinc/93/78/84/813937884.db2.gz VRFLBUUCRILIDX-LLVKDONJSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001130427930 813937891 /nfs/dbraw/zinc/93/78/91/813937891.db2.gz VRFLBUUCRILIDX-LLVKDONJSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCC1 ZINC001130419141 813938722 /nfs/dbraw/zinc/93/87/22/813938722.db2.gz MQLWHWSAEIANTB-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCC1 ZINC001130419141 813938726 /nfs/dbraw/zinc/93/87/26/813938726.db2.gz MQLWHWSAEIANTB-UHFFFAOYSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130428013 813939757 /nfs/dbraw/zinc/93/97/57/813939757.db2.gz YTMNKNZSMUBGBS-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130428013 813939766 /nfs/dbraw/zinc/93/97/66/813939766.db2.gz YTMNKNZSMUBGBS-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001130711086 813968441 /nfs/dbraw/zinc/96/84/41/813968441.db2.gz MXXXWCLTZSUZSB-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001130711086 813968449 /nfs/dbraw/zinc/96/84/49/813968449.db2.gz MXXXWCLTZSUZSB-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO O=C(NCCNCCF)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520499 814037996 /nfs/dbraw/zinc/03/79/96/814037996.db2.gz ZRQWGKTVDPFABC-QWKFWESOSA-N 1 3 271.336 -0.475 20 0 CBADHO O=C(NCCNCCF)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520499 814038006 /nfs/dbraw/zinc/03/80/06/814038006.db2.gz ZRQWGKTVDPFABC-QWKFWESOSA-N 1 3 271.336 -0.475 20 0 CBADHO COCCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519837 814038296 /nfs/dbraw/zinc/03/82/96/814038296.db2.gz KSIKRETXGZMBBH-JVWICGRDSA-N 1 3 297.399 -0.408 20 0 CBADHO O=C(NCC[NH2+]CCCF)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519652 814038397 /nfs/dbraw/zinc/03/83/97/814038397.db2.gz IRKPZSZPSLNXSD-LXVYMNJGSA-N 1 3 285.363 -0.085 20 0 CBADHO CC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521598 814038619 /nfs/dbraw/zinc/03/86/19/814038619.db2.gz CMSSBCLVVFGTAB-QWKFWESOSA-N 1 3 253.346 -0.425 20 0 CBADHO NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790748 814069941 /nfs/dbraw/zinc/06/99/41/814069941.db2.gz USZGJHBWDDZFGA-LBPRGKRZSA-N 1 3 268.361 -0.948 20 0 CBADHO C[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790103 814070164 /nfs/dbraw/zinc/07/01/64/814070164.db2.gz GEMZGJQLSKAEMQ-CMPLNLGQSA-N 1 3 282.388 -0.560 20 0 CBADHO C[NH+](C)CCc1ccccc1C(=O)NCCNCC(N)=O ZINC001131799521 814072583 /nfs/dbraw/zinc/07/25/83/814072583.db2.gz QPMLLPSKWCCXQL-UHFFFAOYSA-N 1 3 292.383 -0.405 20 0 CBADHO CCNC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283945 814121007 /nfs/dbraw/zinc/12/10/07/814121007.db2.gz PMQNZCCXDDBMAH-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001132738048 814182001 /nfs/dbraw/zinc/18/20/01/814182001.db2.gz UMLGPNXDTOLGTF-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001132738048 814182009 /nfs/dbraw/zinc/18/20/09/814182009.db2.gz UMLGPNXDTOLGTF-VXGBXAGGSA-N 1 3 284.404 -0.312 20 0 CBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001132736917 814182116 /nfs/dbraw/zinc/18/21/16/814182116.db2.gz GDRQNYHGZWCRMD-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001132736917 814182122 /nfs/dbraw/zinc/18/21/22/814182122.db2.gz GDRQNYHGZWCRMD-STQMWFEESA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001132736915 814182585 /nfs/dbraw/zinc/18/25/85/814182585.db2.gz GDRQNYHGZWCRMD-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001132736915 814182589 /nfs/dbraw/zinc/18/25/89/814182589.db2.gz GDRQNYHGZWCRMD-OLZOCXBDSA-N 1 3 296.415 -0.297 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001132738346 814182751 /nfs/dbraw/zinc/18/27/51/814182751.db2.gz ZOXFZUDLZSIWGA-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001132738346 814182755 /nfs/dbraw/zinc/18/27/55/814182755.db2.gz ZOXFZUDLZSIWGA-CYBMUJFWSA-N 1 3 298.431 -0.098 20 0 CBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)C1 ZINC001132738394 814182831 /nfs/dbraw/zinc/18/28/31/814182831.db2.gz BJAAKNFEKYMQDX-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)C1 ZINC001132738394 814182836 /nfs/dbraw/zinc/18/28/36/814182836.db2.gz BJAAKNFEKYMQDX-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893626 814199948 /nfs/dbraw/zinc/19/99/48/814199948.db2.gz WGNLQWRDAWEJSJ-TUAOUCFPSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893626 814199950 /nfs/dbraw/zinc/19/99/50/814199950.db2.gz WGNLQWRDAWEJSJ-TUAOUCFPSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995284 814206878 /nfs/dbraw/zinc/20/68/78/814206878.db2.gz QCWDULRFEWQANS-JTQLQIEISA-N 1 3 270.377 -0.832 20 0 CBADHO CCN1CC[C@@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995049 814207150 /nfs/dbraw/zinc/20/71/50/814207150.db2.gz KBJZGYDNJDUOGV-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132995505 814207480 /nfs/dbraw/zinc/20/74/80/814207480.db2.gz VYLDWSWPGSLVBK-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO Cn1cncc1CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993548 814207831 /nfs/dbraw/zinc/20/78/31/814207831.db2.gz YFNIBYLMZZWPAH-UHFFFAOYSA-N 1 3 279.388 -0.032 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040292 814213012 /nfs/dbraw/zinc/21/30/12/814213012.db2.gz KHDCPPLYSJWEQE-UHFFFAOYSA-N 1 3 286.420 -0.098 20 0 CBADHO CC[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133281706 814235534 /nfs/dbraw/zinc/23/55/34/814235534.db2.gz IKKCPHQQZRIHIE-NSHDSACASA-N 1 3 270.377 -0.702 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133281955 814236177 /nfs/dbraw/zinc/23/61/77/814236177.db2.gz VCUGCYXJVIJTLS-UHFFFAOYSA-N 1 3 298.431 -0.194 20 0 CBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001133287337 814236632 /nfs/dbraw/zinc/23/66/32/814236632.db2.gz IDIXINVEXPCLBR-UHFFFAOYSA-N 1 3 282.388 -0.687 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001133294975 814239020 /nfs/dbraw/zinc/23/90/20/814239020.db2.gz YHKFNDAWQJSDBP-UHFFFAOYSA-N 1 3 284.404 -0.344 20 0 CBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001133294833 814239078 /nfs/dbraw/zinc/23/90/78/814239078.db2.gz WIZAUQXHXVOGEC-UHFFFAOYSA-N 1 3 284.404 -0.440 20 0 CBADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133434160 814252955 /nfs/dbraw/zinc/25/29/55/814252955.db2.gz JESBILYVUAZCSJ-VXGBXAGGSA-N 1 3 286.420 -0.245 20 0 CBADHO CC[C@@H](NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(N)=O ZINC001133433686 814254281 /nfs/dbraw/zinc/25/42/81/814254281.db2.gz AJKHNWMSQJYSGL-GHMZBOCLSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC)[NH+](CC)CC ZINC001133690231 814287497 /nfs/dbraw/zinc/28/74/97/814287497.db2.gz JQNBDLZZZKGACH-NEPJUHHUSA-N 1 3 286.420 -0.053 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819738 814299883 /nfs/dbraw/zinc/29/98/83/814299883.db2.gz MZOIDAFOERSIRK-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CCCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819738 814299888 /nfs/dbraw/zinc/29/98/88/814299888.db2.gz MZOIDAFOERSIRK-LBPRGKRZSA-N 1 3 284.404 -0.297 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001133823632 814301417 /nfs/dbraw/zinc/30/14/17/814301417.db2.gz KUUFFURSVCIINR-QWRGUYRKSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001133823986 814301768 /nfs/dbraw/zinc/30/17/68/814301768.db2.gz VASRHQUWIALZRQ-GFCCVEGCSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001133824138 814302382 /nfs/dbraw/zinc/30/23/82/814302382.db2.gz YOKKGYGBXXHJRP-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001133823631 814303094 /nfs/dbraw/zinc/30/30/94/814303094.db2.gz KUUFFURSVCIINR-MNOVXSKESA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001133823630 814303500 /nfs/dbraw/zinc/30/35/00/814303500.db2.gz KUUFFURSVCIINR-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001133845637 814306357 /nfs/dbraw/zinc/30/63/57/814306357.db2.gz KIECXTQFUHSBEA-NWDGAFQWSA-N 1 3 282.388 -0.687 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845574 814306431 /nfs/dbraw/zinc/30/64/31/814306431.db2.gz IWSYTKNKRRBIPI-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO CNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845574 814306440 /nfs/dbraw/zinc/30/64/40/814306440.db2.gz IWSYTKNKRRBIPI-GHMZBOCLSA-N 1 3 270.377 -0.832 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133845555 814306666 /nfs/dbraw/zinc/30/66/66/814306666.db2.gz INBYRSHANBVSGN-LBPRGKRZSA-N 1 3 296.415 -0.440 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846333 814307594 /nfs/dbraw/zinc/30/75/94/814307594.db2.gz YZWFXLIEPDWKGH-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CCN(CC)C(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846333 814307602 /nfs/dbraw/zinc/30/76/02/814307602.db2.gz YZWFXLIEPDWKGH-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846297 814308794 /nfs/dbraw/zinc/30/87/94/814308794.db2.gz YECCYPKNSVKIPQ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846297 814308801 /nfs/dbraw/zinc/30/88/01/814308801.db2.gz YECCYPKNSVKIPQ-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001133846343 814309318 /nfs/dbraw/zinc/30/93/18/814309318.db2.gz ZDSCACRPMCTVOS-LBPRGKRZSA-N 1 3 280.376 -0.674 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845650 814309461 /nfs/dbraw/zinc/30/94/61/814309461.db2.gz KQOGTPXZEUIFJH-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845650 814309471 /nfs/dbraw/zinc/30/94/71/814309471.db2.gz KQOGTPXZEUIFJH-GFCCVEGCSA-N 1 3 284.404 -0.441 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863320 814312455 /nfs/dbraw/zinc/31/24/55/814312455.db2.gz LDGIAOSRDHZXLG-CHWSQXEVSA-N 1 3 298.431 -0.338 20 0 CBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863320 814312466 /nfs/dbraw/zinc/31/24/66/814312466.db2.gz LDGIAOSRDHZXLG-CHWSQXEVSA-N 1 3 298.431 -0.338 20 0 CBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867039 814313458 /nfs/dbraw/zinc/31/34/58/814313458.db2.gz QSDXUCMAVPVUTJ-WCQYABFASA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001133867039 814313465 /nfs/dbraw/zinc/31/34/65/814313465.db2.gz QSDXUCMAVPVUTJ-WCQYABFASA-N 1 3 279.388 -0.176 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868154 814313771 /nfs/dbraw/zinc/31/37/71/814313771.db2.gz ZXRVVEYEVVUKCJ-VXGBXAGGSA-N 1 3 282.388 -0.878 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133868154 814313784 /nfs/dbraw/zinc/31/37/84/814313784.db2.gz ZXRVVEYEVVUKCJ-VXGBXAGGSA-N 1 3 282.388 -0.878 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867607 814315045 /nfs/dbraw/zinc/31/50/45/814315045.db2.gz VZGZVINSEDRFEX-VXGBXAGGSA-N 1 3 284.404 -0.632 20 0 CBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867607 814315054 /nfs/dbraw/zinc/31/50/54/814315054.db2.gz VZGZVINSEDRFEX-VXGBXAGGSA-N 1 3 284.404 -0.632 20 0 CBADHO C[NH+](C)CCc1ccc(C(=O)NCCNCC(N)=O)cc1 ZINC001133893519 814319849 /nfs/dbraw/zinc/31/98/49/814319849.db2.gz IDZCYPYWROKUGG-UHFFFAOYSA-N 1 3 292.383 -0.405 20 0 CBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001133965747 814330806 /nfs/dbraw/zinc/33/08/06/814330806.db2.gz IPYIPPUWCVGGOI-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134583634 814398257 /nfs/dbraw/zinc/39/82/57/814398257.db2.gz MRAFKHNWHQGKMR-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001134767053 814410649 /nfs/dbraw/zinc/41/06/49/814410649.db2.gz QQNONXOLVJBCGC-LBPRGKRZSA-N 1 3 257.378 -0.053 20 0 CBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1CC1 ZINC001159923386 815604946 /nfs/dbraw/zinc/60/49/46/815604946.db2.gz DERRQTHNDHAFLM-CYBMUJFWSA-N 1 3 287.404 -0.569 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932553 815606723 /nfs/dbraw/zinc/60/67/23/815606723.db2.gz RUOXUZQDXZSWFV-CMPLNLGQSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)N(C)C ZINC001159932243 815606777 /nfs/dbraw/zinc/60/67/77/815606777.db2.gz PJSAZNMCFTVDCU-DGCLKSJQSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)NC)C(C)C ZINC001135474534 814477255 /nfs/dbraw/zinc/47/72/55/814477255.db2.gz SKYCRFZQMSQCSZ-ZDUSSCGKSA-N 1 3 286.420 -0.195 20 0 CBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H]1CCNC1=O)C(C)C ZINC001135477890 814477283 /nfs/dbraw/zinc/47/72/83/814477283.db2.gz SMSQDMTWKGGPCK-QWHCGFSZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135513043 814481150 /nfs/dbraw/zinc/48/11/50/814481150.db2.gz DQYAIYPKBPGEBV-LLVKDONJSA-N 1 3 272.393 -0.489 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001135511698 814481162 /nfs/dbraw/zinc/48/11/62/814481162.db2.gz ZEPJCNRZYCNARB-SNVBAGLBSA-N 1 3 258.366 -0.832 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001135510804 814481422 /nfs/dbraw/zinc/48/14/22/814481422.db2.gz FTLGSGABVCEPLZ-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001135513266 814481781 /nfs/dbraw/zinc/48/17/81/814481781.db2.gz KDQKCXMDYASAJW-NSHDSACASA-N 1 3 284.404 -0.299 20 0 CBADHO CC1CCN(CC(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001135688608 814511536 /nfs/dbraw/zinc/51/15/36/814511536.db2.gz YCNJJRLXCNYUCB-GFCCVEGCSA-N 1 3 282.388 -0.687 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403677 815618214 /nfs/dbraw/zinc/61/82/14/815618214.db2.gz DQNWTZXOCVEARY-REWJHTLYSA-N 1 3 297.399 -0.295 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001160427477 815619045 /nfs/dbraw/zinc/61/90/45/815619045.db2.gz RVBMBMQFUNMSJV-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)N(C)C ZINC001160426083 815619159 /nfs/dbraw/zinc/61/91/59/815619159.db2.gz DAPLBAGXVXEOCL-AWEZNQCLSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001160426912 815619583 /nfs/dbraw/zinc/61/95/83/815619583.db2.gz KDMVNWNADTVXBA-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135981089 814543068 /nfs/dbraw/zinc/54/30/68/814543068.db2.gz XLMJHPAGVGNUDC-WDEREUQCSA-N 1 3 272.393 -0.314 20 0 CBADHO CNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384358 814837914 /nfs/dbraw/zinc/83/79/14/814837914.db2.gz OPXKELKCJBTDFV-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO CCNC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146718441 814845589 /nfs/dbraw/zinc/84/55/89/814845589.db2.gz BIDYVZUBYZWYKN-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CCNC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146718441 814845593 /nfs/dbraw/zinc/84/55/93/814845593.db2.gz BIDYVZUBYZWYKN-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719596 814845893 /nfs/dbraw/zinc/84/58/93/814845893.db2.gz QWNJELQQYFHWSS-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO CCCCNC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719596 814845894 /nfs/dbraw/zinc/84/58/94/814845894.db2.gz QWNJELQQYFHWSS-UHFFFAOYSA-N 1 3 286.420 -0.050 20 0 CBADHO Cn1nccc1CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876974 814920757 /nfs/dbraw/zinc/92/07/57/814920757.db2.gz AZIPOGAYPMVUON-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO Cn1nccc1CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876974 814920760 /nfs/dbraw/zinc/92/07/60/814920760.db2.gz AZIPOGAYPMVUON-LBPRGKRZSA-N 1 3 279.388 -0.032 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878210 814923201 /nfs/dbraw/zinc/92/32/01/814923201.db2.gz VCSITMBETISWDK-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878210 814923209 /nfs/dbraw/zinc/92/32/09/814923209.db2.gz VCSITMBETISWDK-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915657 815604365 /nfs/dbraw/zinc/60/43/65/815604365.db2.gz LMNKDCUMZXAENT-ZDUSSCGKSA-N 1 3 284.404 -0.489 20 0 CBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001159914230 815604388 /nfs/dbraw/zinc/60/43/88/815604388.db2.gz BRGUOASTNFMTQL-AWEZNQCLSA-N 1 3 296.415 -0.299 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159925517 815604552 /nfs/dbraw/zinc/60/45/52/815604552.db2.gz RTYNVKRZNCWUSE-STQMWFEESA-N 1 3 287.404 -0.570 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH2+]C)CC1 ZINC001160460362 815625675 /nfs/dbraw/zinc/62/56/75/815625675.db2.gz ZANCFJWORSZMHO-FZMZJTMJSA-N 1 3 298.431 -0.066 20 0 CBADHO O=C(N1CCC2(C1)OCCO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160470890 815626380 /nfs/dbraw/zinc/62/63/80/815626380.db2.gz JUALGJATCMMFTA-DGCLKSJQSA-N 1 3 281.356 -0.839 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160471371 815626695 /nfs/dbraw/zinc/62/66/95/815626695.db2.gz VHMQEVGBOOMBOV-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO CCN(CCC(N)=O)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160471371 815626698 /nfs/dbraw/zinc/62/66/98/815626698.db2.gz VHMQEVGBOOMBOV-LLVKDONJSA-N 1 3 282.388 -0.416 20 0 CBADHO Cc1cc(CN(C)C(=O)[C@@H]2C[NH2+]CC23CNC3)n(C)n1 ZINC001160474655 815627065 /nfs/dbraw/zinc/62/70/65/815627065.db2.gz HTYSOYDQFOKHGQ-LBPRGKRZSA-N 1 3 277.372 -0.504 20 0 CBADHO CCN(C(=O)[C@H]1C[NH2+]CC12CNC2)C1CCOCC1 ZINC001160493699 815629676 /nfs/dbraw/zinc/62/96/76/815629676.db2.gz OVIXYHLNUWYSGM-GFCCVEGCSA-N 1 3 267.373 -0.177 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC([NH3+])CC1 ZINC001160515418 815633044 /nfs/dbraw/zinc/63/30/44/815633044.db2.gz GHMSRKZFHUZORO-CABZTGNLSA-N 1 3 270.377 -0.574 20 0 CBADHO NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160547975 815635400 /nfs/dbraw/zinc/63/54/00/815635400.db2.gz BHDUUFYBGSBMFQ-GHMZBOCLSA-N 1 3 280.372 -0.806 20 0 CBADHO NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160547975 815635405 /nfs/dbraw/zinc/63/54/05/815635405.db2.gz BHDUUFYBGSBMFQ-GHMZBOCLSA-N 1 3 280.372 -0.806 20 0 CBADHO CN(CC1(C)COC1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160544059 815636201 /nfs/dbraw/zinc/63/62/01/815636201.db2.gz FHCNYJDFJNGRIE-JTQLQIEISA-N 1 3 253.346 -0.710 20 0 CBADHO Cn1cc2c(n1)CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160556742 815636598 /nfs/dbraw/zinc/63/65/98/815636598.db2.gz AUVQTCPIEQEAAM-ZDUSSCGKSA-N 1 3 277.372 -0.368 20 0 CBADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H](N)CCC[NH3+] ZINC001160565528 815638939 /nfs/dbraw/zinc/63/89/39/815638939.db2.gz ZMZWGWQJJHWNBD-JTQLQIEISA-N 1 3 277.328 -0.181 20 0 CBADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160596936 815644034 /nfs/dbraw/zinc/64/40/34/815644034.db2.gz XPORMZOCXRCCFF-YPMHNXCESA-N 1 3 299.371 -0.896 20 0 CBADHO O=C(N1CCC[C@H](CCO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160610411 815645003 /nfs/dbraw/zinc/64/50/03/815645003.db2.gz CCRYMNSHVBDQKL-UMVBOHGHSA-N 1 3 281.400 -0.194 20 0 CBADHO N[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)C1CC[NH2+]CC1 ZINC001160638697 815649645 /nfs/dbraw/zinc/64/96/45/815649645.db2.gz XYMOUBHTBQGRFF-STQMWFEESA-N 1 3 292.387 -0.232 20 0 CBADHO C[C@H]1CC(=O)CCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160643067 815650543 /nfs/dbraw/zinc/65/05/43/815650543.db2.gz XBWDFQFPVRFAKR-CABZTGNLSA-N 1 3 253.346 -0.107 20 0 CBADHO N[C@H](C(=O)N1CCN2C(=O)CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160647828 815651822 /nfs/dbraw/zinc/65/18/22/815651822.db2.gz UXMMNAMWPHSHQF-YPMHNXCESA-N 1 3 280.372 -0.854 20 0 CBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)C1=O ZINC001160650549 815652236 /nfs/dbraw/zinc/65/22/36/815652236.db2.gz YIVMVAYPIAPVLP-AXFHLTTASA-N 1 3 286.351 -0.776 20 0 CBADHO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160654766 815653435 /nfs/dbraw/zinc/65/34/35/815653435.db2.gz BGJKIJNYEGGREY-JLLWLGSASA-N 1 3 255.362 -0.315 20 0 CBADHO COC(CN(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)OC ZINC001160683929 815656786 /nfs/dbraw/zinc/65/67/86/815656786.db2.gz OTOLYNVJECLMCT-LLVKDONJSA-N 1 3 285.388 -0.062 20 0 CBADHO COC(CN(C)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)OC ZINC001160683929 815656789 /nfs/dbraw/zinc/65/67/89/815656789.db2.gz OTOLYNVJECLMCT-LLVKDONJSA-N 1 3 285.388 -0.062 20 0 CBADHO CN(CCC1OCCO1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160683594 815656986 /nfs/dbraw/zinc/65/69/86/815656986.db2.gz OEMZQMIGWWULND-LBPRGKRZSA-N 1 3 271.361 -0.465 20 0 CBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688728 815657195 /nfs/dbraw/zinc/65/71/95/815657195.db2.gz GBDHVFBNAYITOV-NEPJUHHUSA-N 1 3 289.383 -0.075 20 0 CBADHO CN(Cc1ccon1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160688591 815657841 /nfs/dbraw/zinc/65/78/41/815657841.db2.gz QNGKHOUILFTOLM-VIFPVBQESA-N 1 3 258.347 -0.348 20 0 CBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1cncn1C ZINC001160695050 815659300 /nfs/dbraw/zinc/65/93/00/815659300.db2.gz HDZKTCZKHGZERQ-AAEUAGOBSA-N 1 3 279.388 -0.252 20 0 CBADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704897 815661673 /nfs/dbraw/zinc/66/16/73/815661673.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 1 3 263.345 -0.701 20 0 CBADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@H]2C1 ZINC001160704897 815661677 /nfs/dbraw/zinc/66/16/77/815661677.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 1 3 263.345 -0.701 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705784 815662407 /nfs/dbraw/zinc/66/24/07/815662407.db2.gz RWKXZRXXPXMKLK-HTQZYQBOSA-N 1 3 269.267 -0.158 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]12 ZINC001160756346 815666590 /nfs/dbraw/zinc/66/65/90/815666590.db2.gz KTNQLSBPRVJNCX-OJAKKHQRSA-N 1 3 267.373 -0.193 20 0 CBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]12 ZINC001160756345 815666921 /nfs/dbraw/zinc/66/69/21/815666921.db2.gz KTNQLSBPRVJNCX-JHEVNIALSA-N 1 3 267.373 -0.193 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2nccn2CC1 ZINC001160761020 815669175 /nfs/dbraw/zinc/66/91/75/815669175.db2.gz UEZPSKBZSTTYAQ-JTQLQIEISA-N 1 3 251.334 -0.666 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001160837186 815675985 /nfs/dbraw/zinc/67/59/85/815675985.db2.gz DYIQFNYUZHGBLH-XDQVBPFNSA-N 1 3 297.399 -0.458 20 0 CBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160838820 815676186 /nfs/dbraw/zinc/67/61/86/815676186.db2.gz MCAHHGYIOUCKBF-WYUUTHIRSA-N 1 3 253.346 -0.759 20 0 CBADHO CN(C)C[C@H]1COCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160838817 815676289 /nfs/dbraw/zinc/67/62/89/815676289.db2.gz MCAHHGYIOUCKBF-NNYUYHANSA-N 1 3 253.346 -0.759 20 0 CBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(n2cccn2)CC1 ZINC001160845748 815678044 /nfs/dbraw/zinc/67/80/44/815678044.db2.gz HCNUUBPTIOFNRQ-CYBMUJFWSA-N 1 3 289.383 -0.144 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001160889336 815685084 /nfs/dbraw/zinc/68/50/84/815685084.db2.gz IVFLFZVRSBKMBR-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001160890045 815685386 /nfs/dbraw/zinc/68/53/86/815685386.db2.gz TVWDXMZTBKBSJK-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(=O)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161034211 815702018 /nfs/dbraw/zinc/70/20/18/815702018.db2.gz CQDBJKSATWPETJ-OUCADQQQSA-N 1 3 265.357 -0.377 20 0 CBADHO CN(C(=O)[C@H]1CNCCN1C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061604 815705802 /nfs/dbraw/zinc/70/58/02/815705802.db2.gz HOROOOSGTGLOBO-SDDRHHMPSA-N 1 3 254.378 -0.382 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001161081029 815708662 /nfs/dbraw/zinc/70/86/62/815708662.db2.gz CJYBHJABNMPZCX-RHYQMDGZSA-N 1 3 252.362 -0.914 20 0 CBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081424 815709869 /nfs/dbraw/zinc/70/98/69/815709869.db2.gz JUHVQSRZPIGYNF-JTQLQIEISA-N 1 3 283.376 -0.883 20 0 CBADHO CN1CCC[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]21 ZINC001161080991 815710212 /nfs/dbraw/zinc/71/02/12/815710212.db2.gz AUZHPRYCABPCQD-VXGBXAGGSA-N 1 3 266.389 -0.380 20 0 CBADHO CN1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001161081875 815710908 /nfs/dbraw/zinc/71/09/08/815710908.db2.gz MHOPJWZWXQOMBP-FIQHERPVSA-N 1 3 253.346 -0.738 20 0 CBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161093450 815714212 /nfs/dbraw/zinc/71/42/12/815714212.db2.gz OKAWAFZFUQROSN-WDEREUQCSA-N 1 3 287.360 -0.767 20 0 CBADHO CCN(C(=O)[C@@H](N)CSCC[NH3+])C1CN(C)C1 ZINC001161138289 815720988 /nfs/dbraw/zinc/72/09/88/815720988.db2.gz RCSASIYXBVVGBK-JTQLQIEISA-N 1 3 260.407 -0.832 20 0 CBADHO CCOC(=O)CN(CCC[NH3+])C(=O)C(N)C(F)(F)F ZINC001161157549 815723175 /nfs/dbraw/zinc/72/31/75/815723175.db2.gz FSPDGRMZSBODQG-MRVPVSSYSA-N 1 3 285.266 -0.384 20 0 CBADHO CCOC(=O)CN(CCC[NH3+])C(=O)C(N)C(F)(F)F ZINC001161157550 815723408 /nfs/dbraw/zinc/72/34/08/815723408.db2.gz FSPDGRMZSBODQG-QMMMGPOBSA-N 1 3 285.266 -0.384 20 0 CBADHO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CCC2(C1)OCCO2 ZINC001161219204 815728718 /nfs/dbraw/zinc/72/87/18/815728718.db2.gz OIDSVRLWFWSMMH-RYUDHWBXSA-N 1 3 295.383 -0.451 20 0 CBADHO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@H]1CCC2(C1)OCCO2 ZINC001161219203 815729001 /nfs/dbraw/zinc/72/90/01/815729001.db2.gz OIDSVRLWFWSMMH-NWDGAFQWSA-N 1 3 295.383 -0.451 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001161226577 815729956 /nfs/dbraw/zinc/72/99/56/815729956.db2.gz JMOFQSWVKQAMBI-JTQLQIEISA-N 1 3 272.393 -0.314 20 0 CBADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161231652 815730220 /nfs/dbraw/zinc/73/02/20/815730220.db2.gz NGVNSPLZXCLLBR-GAIPPQHRSA-N 1 3 269.345 -0.654 20 0 CBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001161226312 815730603 /nfs/dbraw/zinc/73/06/03/815730603.db2.gz CEJXTJUEOFHCGU-UHFFFAOYSA-N 1 3 286.420 -0.099 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161238861 815734429 /nfs/dbraw/zinc/73/44/29/815734429.db2.gz DSAJQIXDLKNQJY-JQWIXIFHSA-N 1 3 269.324 -0.811 20 0 CBADHO CNC(=O)NC1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001161268423 815735554 /nfs/dbraw/zinc/73/55/54/815735554.db2.gz IINUJYGGPORZTQ-GFCCVEGCSA-N 1 3 297.403 -0.767 20 0 CBADHO CCN(C(=O)CN1CCCC[C@H](N)C1=O)[C@H]1CCC[NH2+]C1 ZINC001161331440 815740980 /nfs/dbraw/zinc/74/09/80/815740980.db2.gz XORZXZCPZJLATM-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CC(C)N(C(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1CC[NH2+]C1 ZINC001161350663 815745368 /nfs/dbraw/zinc/74/53/68/815745368.db2.gz AUCHTDFVHAQJMH-RYUDHWBXSA-N 1 3 265.361 -0.122 20 0 CBADHO CC(C)N(C(=O)[C@@H](N)Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 ZINC001161350663 815745370 /nfs/dbraw/zinc/74/53/70/815745370.db2.gz AUCHTDFVHAQJMH-RYUDHWBXSA-N 1 3 265.361 -0.122 20 0 CBADHO CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H]1CCC[NH2+]C1 ZINC001161339088 815745577 /nfs/dbraw/zinc/74/55/77/815745577.db2.gz IYPZMMYZKGOEKZ-XQQFMLRXSA-N 1 3 296.415 -0.075 20 0 CBADHO CCN(C(=O)[C@@H](N)CC[S@](C)=O)[C@H]1CCC[NH2+]C1 ZINC001161340653 815745877 /nfs/dbraw/zinc/74/58/77/815745877.db2.gz RVVRWDAXSQIRJZ-FHGNATFXSA-N 1 3 275.418 -0.317 20 0 CBADHO CCN(C(=O)[C@@H](N)CC[S@@](C)=O)[C@@H]1CCC[NH2+]C1 ZINC001161340655 815746397 /nfs/dbraw/zinc/74/63/97/815746397.db2.gz RVVRWDAXSQIRJZ-LIBAHTEVSA-N 1 3 275.418 -0.317 20 0 CBADHO CC(C)N(C(=O)CN1CCCC[C@H](N)C1=O)[C@H]1CC[NH2+]C1 ZINC001161353774 815746923 /nfs/dbraw/zinc/74/69/23/815746923.db2.gz ZHIUBTSEHFYQLL-STQMWFEESA-N 1 3 296.415 -0.075 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412045 815752083 /nfs/dbraw/zinc/75/20/83/815752083.db2.gz FKLXWOSKLZKZHL-OHBODLIOSA-N 1 3 263.345 -0.525 20 0 CBADHO N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412045 815752086 /nfs/dbraw/zinc/75/20/86/815752086.db2.gz FKLXWOSKLZKZHL-OHBODLIOSA-N 1 3 263.345 -0.525 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413863 815752124 /nfs/dbraw/zinc/75/21/24/815752124.db2.gz RLYPXAAPMHWMRJ-JNLQPACOSA-N 1 3 296.415 -0.328 20 0 CBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1C ZINC001161459214 815757095 /nfs/dbraw/zinc/75/70/95/815757095.db2.gz AODXAZUWFXKCCC-DCAQKATOSA-N 1 3 271.361 -0.290 20 0 CBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](C)N)CC2 ZINC001161478205 815758724 /nfs/dbraw/zinc/75/87/24/815758724.db2.gz LJBSZEKKRMDKTH-VDDIYKPWSA-N 1 3 255.318 -0.913 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161507761 815765025 /nfs/dbraw/zinc/76/50/25/815765025.db2.gz ABBUCKIXJUPMPR-WDEREUQCSA-N 1 3 253.346 -0.310 20 0 CBADHO CN[C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)[C@@H](C)OC(C)(C)C ZINC001161509829 815765121 /nfs/dbraw/zinc/76/51/21/815765121.db2.gz LHJXMOYDLSODAQ-UTUOFQBUSA-N 1 3 299.415 -0.036 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)Cc1cncn1C ZINC001161526803 815767329 /nfs/dbraw/zinc/76/73/29/815767329.db2.gz KGHSRUFOLCLNME-YWVKMMECSA-N 1 3 251.334 -0.762 20 0 CBADHO [NH3+]C1CCN(CCNc2ncc3c(n2)CCNC3)CC1 ZINC001161867599 815791674 /nfs/dbraw/zinc/79/16/74/815791674.db2.gz SEQICWVELYVBQT-UHFFFAOYSA-N 1 3 276.388 -0.043 20 0 CBADHO NCc1cn(-c2ccnc(N3CC[NH2+]CC3)n2)cn1 ZINC001162294112 815810781 /nfs/dbraw/zinc/81/07/81/815810781.db2.gz OKMITBZZIHMHEO-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO COCC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162851951 815845550 /nfs/dbraw/zinc/84/55/50/815845550.db2.gz UIWOVIWINQCHRU-OWYJLGKBSA-N 1 3 297.399 -0.408 20 0 CBADHO CNCc1cc(N[C@H]2COCCC23C[NH2+]C3)ncn1 ZINC001163068921 815857028 /nfs/dbraw/zinc/85/70/28/815857028.db2.gz LDROYPSRXZLFCU-NSHDSACASA-N 1 3 263.345 -0.014 20 0 CBADHO CNCc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)ncn1 ZINC001163153369 815862480 /nfs/dbraw/zinc/86/24/80/815862480.db2.gz MGNIFXPZLZESAJ-GWCFXTLKSA-N 1 3 263.345 -0.156 20 0 CBADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001293334849 816516736 /nfs/dbraw/zinc/51/67/36/816516736.db2.gz ZMPHPCAYWMVTSD-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001293334849 816516732 /nfs/dbraw/zinc/51/67/32/816516732.db2.gz ZMPHPCAYWMVTSD-ZDUSSCGKSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CCOCC[N@H+](C)CCO)C(=O)[C@@H]1CCCN1C ZINC001316759519 816876024 /nfs/dbraw/zinc/87/60/24/816876024.db2.gz ABRFJBIXZNJSMR-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO CN(CCOCC[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1C ZINC001316759519 816876029 /nfs/dbraw/zinc/87/60/29/816876029.db2.gz ABRFJBIXZNJSMR-ZDUSSCGKSA-N 1 3 287.404 -0.520 20 0 CBADHO CN(CCOCC[N@H+](C)CCO)C(=O)[C@H]1CCCN1C ZINC001316759518 816877438 /nfs/dbraw/zinc/87/74/38/816877438.db2.gz ABRFJBIXZNJSMR-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO CN(CCOCC[N@@H+](C)CCO)C(=O)[C@H]1CCCN1C ZINC001316759518 816877444 /nfs/dbraw/zinc/87/74/44/816877444.db2.gz ABRFJBIXZNJSMR-CYBMUJFWSA-N 1 3 287.404 -0.520 20 0 CBADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(N)=O ZINC001316906416 816901658 /nfs/dbraw/zinc/90/16/58/816901658.db2.gz AUBRVJXOCQZWBQ-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001316966876 816908288 /nfs/dbraw/zinc/90/82/88/816908288.db2.gz JTKCGAITQRQIDL-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001316990607 816917227 /nfs/dbraw/zinc/91/72/27/816917227.db2.gz CHTQKWCQDKRSGE-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001316990607 816917234 /nfs/dbraw/zinc/91/72/34/816917234.db2.gz CHTQKWCQDKRSGE-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@H](C)O ZINC001317244934 816948766 /nfs/dbraw/zinc/94/87/66/816948766.db2.gz FPVWOSANNYLWPZ-MNOVXSKESA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](O)C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001317244928 816949002 /nfs/dbraw/zinc/94/90/02/816949002.db2.gz FPVWOSANNYLWPZ-GHMZBOCLSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)N(C)C ZINC001317283276 816957947 /nfs/dbraw/zinc/95/79/47/816957947.db2.gz MLZUZRPZSPGRKI-NXEZZACHSA-N 1 3 258.366 -0.833 20 0 CBADHO CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCCN1C ZINC001317574082 817016694 /nfs/dbraw/zinc/01/66/94/817016694.db2.gz UIHUQUKXQXMYNE-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317623337 817032979 /nfs/dbraw/zinc/03/29/79/817032979.db2.gz LGCFIXJSSPBPIQ-UHFFFAOYSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCCO)C1 ZINC001317625815 817033001 /nfs/dbraw/zinc/03/30/01/817033001.db2.gz JPARDTDZQLTWNI-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001320218726 817295752 /nfs/dbraw/zinc/29/57/52/817295752.db2.gz UKTGAGZDHHZJLA-NEPJUHHUSA-N 1 3 257.378 -0.054 20 0 CBADHO CC(C)[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001320233709 817299311 /nfs/dbraw/zinc/29/93/11/817299311.db2.gz IHAPQAZBAKYOFN-NSHDSACASA-N 1 3 257.378 -0.054 20 0 CBADHO C[C@@H](CC[NH2+]CCO)NC(=O)C1(N(C)C)CCC1 ZINC001320445578 817338716 /nfs/dbraw/zinc/33/87/16/817338716.db2.gz ICJUDXWHBLAOEE-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC[NH2+]C[C@@H](C)O)C(=O)CN1CCCC1 ZINC001320921573 817411193 /nfs/dbraw/zinc/41/11/93/817411193.db2.gz NLLAWRHYQFKUPI-GFCCVEGCSA-N 1 3 257.378 -0.099 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC001253216213 825907020 /nfs/dbraw/zinc/90/70/20/825907020.db2.gz KRXQNIDZFIIILI-RYUDHWBXSA-N 1 3 257.378 -0.053 20 0 CBADHO OC[C@@]12C[NH2+]C[C@@H]1CN(c1cc3c(nn1)CCNC3)C2 ZINC001165283041 819947600 /nfs/dbraw/zinc/94/76/00/819947600.db2.gz NWTFWHOWGQYKIH-RISCZKNCSA-N 1 3 275.356 -0.860 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001166004557 819988999 /nfs/dbraw/zinc/98/89/99/819988999.db2.gz RMICRNDDEVZEIN-CYBMUJFWSA-N 1 3 296.419 -0.003 20 0 CBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001166010194 819990196 /nfs/dbraw/zinc/99/01/96/819990196.db2.gz KDMVNWNADTVXBA-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627115 820009242 /nfs/dbraw/zinc/00/92/42/820009242.db2.gz QGBOHSCJJFQEBP-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627179 820010106 /nfs/dbraw/zinc/01/01/06/820010106.db2.gz RNHLNXKYTXYUTC-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627635 820010830 /nfs/dbraw/zinc/01/08/30/820010830.db2.gz XXQVGEVQOIZEBW-QWHCGFSZSA-N 1 3 287.404 -0.426 20 0 CBADHO CCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668214 820012909 /nfs/dbraw/zinc/01/29/09/820012909.db2.gz VRWXUOBSYHZPPG-GFCCVEGCSA-N 1 3 284.404 -0.440 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166677801 820013250 /nfs/dbraw/zinc/01/32/50/820013250.db2.gz NKESSIQMJYXAGQ-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001166676648 820013610 /nfs/dbraw/zinc/01/36/10/820013610.db2.gz AJUDTIDPJQPVPF-WDEREUQCSA-N 1 3 270.377 -0.702 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166677962 820013689 /nfs/dbraw/zinc/01/36/89/820013689.db2.gz REFQJWLKYLNAED-ZDUSSCGKSA-N 1 3 287.404 -0.567 20 0 CBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166677961 820014214 /nfs/dbraw/zinc/01/42/14/820014214.db2.gz REFQJWLKYLNAED-CYBMUJFWSA-N 1 3 287.404 -0.567 20 0 CBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001166678938 820016203 /nfs/dbraw/zinc/01/62/03/820016203.db2.gz ZLIFDQHHMYFQLQ-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001166744205 820035118 /nfs/dbraw/zinc/03/51/18/820035118.db2.gz LXSJGDSBXCHQHE-NSHDSACASA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001166744204 820035855 /nfs/dbraw/zinc/03/58/55/820035855.db2.gz LXSJGDSBXCHQHE-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO [NH3+]CCc1nnn(-c2cnccc2N2CCOCC2)n1 ZINC001167790510 820117901 /nfs/dbraw/zinc/11/79/01/820117901.db2.gz ICNJXSHNFGMYRH-UHFFFAOYSA-N 1 3 275.316 -0.605 20 0 CBADHO N=C(NCCCC[NH3+])Nc1nccc(N2CCOCC2)n1 ZINC001167879953 820124749 /nfs/dbraw/zinc/12/47/49/820124749.db2.gz VHXJCXVCDXFNDA-UHFFFAOYSA-N 1 3 293.375 -0.012 20 0 CBADHO COC(=O)Cc1ccnc(NC(=N)NCCCC[NH3+])n1 ZINC001167880650 820125435 /nfs/dbraw/zinc/12/54/35/820125435.db2.gz TYUFIWDYTSXKJU-UHFFFAOYSA-N 1 3 280.332 -0.133 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001168755721 820176233 /nfs/dbraw/zinc/17/62/33/820176233.db2.gz QWHYJMZOWBKDQA-GFCCVEGCSA-N 1 3 275.393 -0.569 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001168755274 820173761 /nfs/dbraw/zinc/17/37/61/820173761.db2.gz LMVMBASDMXRYRR-NSHDSACASA-N 1 3 298.387 -0.771 20 0 CBADHO CCN(CC)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001168755995 820177011 /nfs/dbraw/zinc/17/70/11/820177011.db2.gz SOYZJCFBWVPGJD-UHFFFAOYSA-N 1 3 293.433 -0.531 20 0 CBADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CNC(=O)CO1)C2 ZINC001169100495 820206805 /nfs/dbraw/zinc/20/68/05/820206805.db2.gz JZRHBQRPGPTTRN-USZNOCQGSA-N 1 3 253.346 -0.284 20 0 CBADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CNC(=O)CO1)C2 ZINC001169100495 820206811 /nfs/dbraw/zinc/20/68/11/820206811.db2.gz JZRHBQRPGPTTRN-USZNOCQGSA-N 1 3 253.346 -0.284 20 0 CBADHO Cc1cc(OC2CC[NH2+]CC2)nc(-n2nncc2CN)n1 ZINC001169309072 820226352 /nfs/dbraw/zinc/22/63/52/820226352.db2.gz YGKUUFGNXXHUFI-UHFFFAOYSA-N 1 3 289.343 -0.045 20 0 CBADHO NCc1cnnn1-c1ncccc1N1CC[NH2+]CC1 ZINC001169308799 820227117 /nfs/dbraw/zinc/22/71/17/820227117.db2.gz PVQJGGXSUAPTLQ-UHFFFAOYSA-N 1 3 259.317 -0.469 20 0 CBADHO CC(=O)N1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001169535309 820253635 /nfs/dbraw/zinc/25/36/35/820253635.db2.gz RVLWWMGMSINRDS-CQSZACIVSA-N 1 3 268.405 -0.036 20 0 CBADHO COC(=O)[C@H](C[NH3+])CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170512190 820296677 /nfs/dbraw/zinc/29/66/77/820296677.db2.gz IHZTVCDSMGJSHN-OPRDCNLKSA-N 1 3 258.318 -0.334 20 0 CBADHO COc1c(N[C@H](C)[C@@H]2CNCCO2)ncnc1C1C[NH2+]C1 ZINC001170566605 820306077 /nfs/dbraw/zinc/30/60/77/820306077.db2.gz AGECDFKYWXJDTM-KOLCDFICSA-N 1 3 293.371 -0.039 20 0 CBADHO OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)ccn1 ZINC001170772420 820317102 /nfs/dbraw/zinc/31/71/02/820317102.db2.gz CIXMSRBINSIIJN-YPMHNXCESA-N 1 3 278.356 -0.090 20 0 CBADHO COCCn1cc(N[C@H](N)CCC[NH3+])ncc1=O ZINC001170903231 820335404 /nfs/dbraw/zinc/33/54/04/820335404.db2.gz IDDUOPWQQSVOKR-VIFPVBQESA-N 1 3 255.322 -0.675 20 0 CBADHO CN1CCN(c2cc(N[C@H](N)CCC[NH3+])ncn2)CC1 ZINC001170898890 820336482 /nfs/dbraw/zinc/33/64/82/820336482.db2.gz RGILBAPLTFNXMX-NSHDSACASA-N 1 3 279.392 -0.336 20 0 CBADHO CCOC(=O)CN(CC[NH3+])c1ccnc(CN)c1 ZINC001170995662 820343279 /nfs/dbraw/zinc/34/32/79/820343279.db2.gz SFHHGMAZODMBRC-UHFFFAOYSA-N 1 3 252.318 -0.132 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001171757962 820368619 /nfs/dbraw/zinc/36/86/19/820368619.db2.gz QURMVASMVDCPBW-UHFFFAOYSA-N 1 3 293.433 -0.531 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171762587 820368821 /nfs/dbraw/zinc/36/88/21/820368821.db2.gz HBNCGKVDWZUDQB-LLVKDONJSA-N 1 3 270.377 -0.687 20 0 CBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001171770424 820369912 /nfs/dbraw/zinc/36/99/12/820369912.db2.gz QQWYYUOEHOCPRW-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1[C@@H]2CCC[C@H]1C[C@H](NS(=O)(=O)CC[NH3+])C2 ZINC001172100225 820382243 /nfs/dbraw/zinc/38/22/43/820382243.db2.gz BKDMNQXNDGMCEZ-RTCCRHLQSA-N 1 3 261.391 -0.120 20 0 CBADHO COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172118888 820382530 /nfs/dbraw/zinc/38/25/30/820382530.db2.gz UEHRVQJUPIFIOM-CNDDSTCGSA-N 1 3 283.372 -0.120 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H](C)O ZINC001174683952 820415730 /nfs/dbraw/zinc/41/57/30/820415730.db2.gz XDPRXFFSNHMFEA-SECBINFHSA-N 1 3 254.334 -0.263 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176972214 820484949 /nfs/dbraw/zinc/48/49/49/820484949.db2.gz QYUQUMAYEFZCQZ-UHFFFAOYSA-N 1 3 299.419 -0.552 20 0 CBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176971799 820485474 /nfs/dbraw/zinc/48/54/74/820485474.db2.gz IKWWIHWMIRYAFE-NSHDSACASA-N 1 3 298.387 -0.772 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC001178356804 820576611 /nfs/dbraw/zinc/57/66/11/820576611.db2.gz RWTZSPDLVOVPJE-AVGNSLFASA-N 1 3 296.415 -0.252 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730994 820597771 /nfs/dbraw/zinc/59/77/71/820597771.db2.gz JCILVGYBHKDFQF-XQHKEYJVSA-N 1 3 296.415 -0.348 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730994 820597775 /nfs/dbraw/zinc/59/77/75/820597775.db2.gz JCILVGYBHKDFQF-XQHKEYJVSA-N 1 3 296.415 -0.348 20 0 CBADHO CC(C)(C)[NH2+]CC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008937 820614245 /nfs/dbraw/zinc/61/42/45/820614245.db2.gz VHEGGQNEASDOPF-SNVBAGLBSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(N)=O ZINC001179431235 820627419 /nfs/dbraw/zinc/62/74/19/820627419.db2.gz RLCQIYOOCURQEU-SRVKXCTJSA-N 1 3 296.415 -0.219 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179861066 820643911 /nfs/dbraw/zinc/64/39/11/820643911.db2.gz JXMIZYFZWNSJBD-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179861066 820643918 /nfs/dbraw/zinc/64/39/18/820643918.db2.gz JXMIZYFZWNSJBD-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131992 820652076 /nfs/dbraw/zinc/65/20/76/820652076.db2.gz QSSDGMPOXPTIND-IHRRRGAJSA-N 1 3 299.415 -0.332 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131758 820652088 /nfs/dbraw/zinc/65/20/88/820652088.db2.gz KNFZEQSTCQIIHP-AGIUHOORSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CC)CC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001180391061 820677417 /nfs/dbraw/zinc/67/74/17/820677417.db2.gz IAGIOFDJTXROHS-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO CN(C)C1(C)CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180609981 820699922 /nfs/dbraw/zinc/69/99/22/820699922.db2.gz BLGGFYQRUSHSLU-UHFFFAOYSA-N 1 3 296.415 -0.264 20 0 CBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001181885468 820837910 /nfs/dbraw/zinc/83/79/10/820837910.db2.gz VGTKARIIFSJXFL-LALPHHSUSA-N 1 3 298.431 -0.114 20 0 CBADHO CN1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001182015653 820847869 /nfs/dbraw/zinc/84/78/69/820847869.db2.gz OZDLLGACJYJXNP-CYBMUJFWSA-N 1 3 281.400 -0.099 20 0 CBADHO CN1CCC(O)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001182031489 820852105 /nfs/dbraw/zinc/85/21/05/820852105.db2.gz AYXHSSNKAVULGC-TXEJJXNPSA-N 1 3 267.373 -0.537 20 0 CBADHO CN1CCC(O)(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC001182031489 820852110 /nfs/dbraw/zinc/85/21/10/820852110.db2.gz AYXHSSNKAVULGC-TXEJJXNPSA-N 1 3 267.373 -0.537 20 0 CBADHO CN1CCC(O)(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001182033443 820855497 /nfs/dbraw/zinc/85/54/97/820855497.db2.gz LIHUSKHEEWEYMV-UHFFFAOYSA-N 1 3 291.355 -0.762 20 0 CBADHO CN1CCC(O)(C(=O)N2CCOC[C@@H]2C[NH+](C)C)CC1 ZINC001182035144 820857418 /nfs/dbraw/zinc/85/74/18/820857418.db2.gz ZTULENFCNOMZNM-LBPRGKRZSA-N 1 3 285.388 -0.768 20 0 CBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001182637995 820933214 /nfs/dbraw/zinc/93/32/14/820933214.db2.gz VGTKARIIFSJXFL-TYNCELHUSA-N 1 3 298.431 -0.114 20 0 CBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183039900 820968229 /nfs/dbraw/zinc/96/82/29/820968229.db2.gz KRZFDEMKPBFKSV-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183039900 820968236 /nfs/dbraw/zinc/96/82/36/820968236.db2.gz KRZFDEMKPBFKSV-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183079477 820972609 /nfs/dbraw/zinc/97/26/09/820972609.db2.gz KDELREKPBHCDSM-VIFPVBQESA-N 1 3 284.364 -0.926 20 0 CBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183266875 820985887 /nfs/dbraw/zinc/98/58/87/820985887.db2.gz HERHTHYQKUCKDF-RDBSUJKOSA-N 1 3 299.415 -0.476 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267287 820986343 /nfs/dbraw/zinc/98/63/43/820986343.db2.gz MAAPQEAEMPFYMV-TZMCWYRMSA-N 1 3 296.415 -0.347 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001183288309 820988003 /nfs/dbraw/zinc/98/80/03/820988003.db2.gz CJOKJMMDLZRYQS-CYBMUJFWSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289427 820989370 /nfs/dbraw/zinc/98/93/70/820989370.db2.gz XMSAVXPEGUIDQQ-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289450 820989481 /nfs/dbraw/zinc/98/94/81/820989481.db2.gz YLGSPMZEYRGSCE-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183392483 820993271 /nfs/dbraw/zinc/99/32/71/820993271.db2.gz WWGUQLRRFULWFO-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183392483 820993275 /nfs/dbraw/zinc/99/32/75/820993275.db2.gz WWGUQLRRFULWFO-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001183582095 821007272 /nfs/dbraw/zinc/00/72/72/821007272.db2.gz SFQZECSTQFGHAV-CHWSQXEVSA-N 1 3 296.415 -0.204 20 0 CBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183759160 821032517 /nfs/dbraw/zinc/03/25/17/821032517.db2.gz FAQZEQCIIWWZTF-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183759160 821032525 /nfs/dbraw/zinc/03/25/25/821032525.db2.gz FAQZEQCIIWWZTF-GFCCVEGCSA-N 1 3 298.431 -0.005 20 0 CBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230022 821103607 /nfs/dbraw/zinc/10/36/07/821103607.db2.gz JSDAPXXMWLMDGP-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001185264117 821117151 /nfs/dbraw/zinc/11/71/51/821117151.db2.gz AMJDGYPJUBNQEB-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001185401885 821127925 /nfs/dbraw/zinc/12/79/25/821127925.db2.gz XXICFTHBMTVJGK-WCQYABFASA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407835 821128663 /nfs/dbraw/zinc/12/86/63/821128663.db2.gz FIPNLHUPYKBUAW-GFCCVEGCSA-N 1 3 284.404 -0.347 20 0 CBADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185408664 821129047 /nfs/dbraw/zinc/12/90/47/821129047.db2.gz VJCMKASXWQNWPJ-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185416459 821129527 /nfs/dbraw/zinc/12/95/27/821129527.db2.gz WCXYZCJORXMZSQ-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455335 821129895 /nfs/dbraw/zinc/12/98/95/821129895.db2.gz NOONMRGJOBOFRY-JHJVBQTASA-N 1 3 298.431 -0.102 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001185546816 821134852 /nfs/dbraw/zinc/13/48/52/821134852.db2.gz DNJHDUSQFYOHRA-CHWSQXEVSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001185716249 821140303 /nfs/dbraw/zinc/14/03/03/821140303.db2.gz SFQZECSTQFGHAV-OLZOCXBDSA-N 1 3 296.415 -0.204 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001186451552 821181937 /nfs/dbraw/zinc/18/19/37/821181937.db2.gz HIHNBCWBAOXXRV-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1)C(N)=O ZINC001186496315 821184343 /nfs/dbraw/zinc/18/43/43/821184343.db2.gz DHEGJEKOBYENDC-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106506 821213151 /nfs/dbraw/zinc/21/31/51/821213151.db2.gz IRVDIJAPPVEBTI-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106506 821213160 /nfs/dbraw/zinc/21/31/60/821213160.db2.gz IRVDIJAPPVEBTI-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122694 821213653 /nfs/dbraw/zinc/21/36/53/821213653.db2.gz ZANFFHVWCGZEGR-GFCCVEGCSA-N 1 3 294.399 -0.591 20 0 CBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001279838263 828339257 /nfs/dbraw/zinc/33/92/57/828339257.db2.gz JKGXTVKOFDIFMT-GFCCVEGCSA-N 1 3 296.371 -0.601 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001187322662 822268020 /nfs/dbraw/zinc/26/80/20/822268020.db2.gz QYNCYJPBOIXKRO-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001187323028 822268193 /nfs/dbraw/zinc/26/81/93/822268193.db2.gz UXYATIZWMOEDPY-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC1CC1 ZINC001187835340 822297167 /nfs/dbraw/zinc/29/71/67/822297167.db2.gz SZXAKZRHAUACGG-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834804 822298453 /nfs/dbraw/zinc/29/84/53/822298453.db2.gz IKEZVRCDMOZVFA-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187825674 822298603 /nfs/dbraw/zinc/29/86/03/822298603.db2.gz QCVMAJZHGJLEEB-WCQYABFASA-N 1 3 294.399 -0.593 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187825674 822298613 /nfs/dbraw/zinc/29/86/13/822298613.db2.gz QCVMAJZHGJLEEB-WCQYABFASA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001188139077 822321628 /nfs/dbraw/zinc/32/16/28/822321628.db2.gz HTHWHHLAVATRFF-GFCCVEGCSA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001188085869 822318611 /nfs/dbraw/zinc/31/86/11/822318611.db2.gz RYQCADVURZJRLS-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCO ZINC001281449937 828417376 /nfs/dbraw/zinc/41/73/76/828417376.db2.gz FYJAFXMNMMDFSG-PWSUYJOCSA-N 1 3 266.345 -0.229 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281603409 828420986 /nfs/dbraw/zinc/42/09/86/828420986.db2.gz MOQNRAXLDSIAHU-GFCCVEGCSA-N 1 3 285.388 -0.984 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283100992 828496934 /nfs/dbraw/zinc/49/69/34/828496934.db2.gz BHWYNTSYDPXWQC-HAQNSBGRSA-N 1 3 257.378 -0.195 20 0 CBADHO COCC[NH2+][C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001283806037 828551443 /nfs/dbraw/zinc/55/14/43/828551443.db2.gz URYGDPYTCAWIPK-RYUDHWBXSA-N 1 3 273.377 -0.959 20 0 CBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001189040917 823730567 /nfs/dbraw/zinc/73/05/67/823730567.db2.gz JQRXAVACAJCXRL-RWMBFGLXSA-N 1 3 294.399 -0.641 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001189401323 823753139 /nfs/dbraw/zinc/75/31/39/823753139.db2.gz VBRQEJXOXRVJBA-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001189401323 823753140 /nfs/dbraw/zinc/75/31/40/823753140.db2.gz VBRQEJXOXRVJBA-OLZOCXBDSA-N 1 3 269.389 -0.004 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001189391363 823753927 /nfs/dbraw/zinc/75/39/27/823753927.db2.gz XOTVGIIKIWTSFU-ZIAGYGMSSA-N 1 3 299.415 -0.378 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001189391363 823753933 /nfs/dbraw/zinc/75/39/33/823753933.db2.gz XOTVGIIKIWTSFU-ZIAGYGMSSA-N 1 3 299.415 -0.378 20 0 CBADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171107 823955802 /nfs/dbraw/zinc/95/58/02/823955802.db2.gz UDNPKOJVTNRPQJ-ZDUSSCGKSA-N 1 3 294.403 -0.238 20 0 CBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CCF)CCC1 ZINC001284417934 828592817 /nfs/dbraw/zinc/59/28/17/828592817.db2.gz ZJFSAYKXKBWZLA-NSHDSACASA-N 1 3 275.368 -0.151 20 0 CBADHO Cc1cnncc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001192945134 823992695 /nfs/dbraw/zinc/99/26/95/823992695.db2.gz ATDWPZLJTRQWOZ-UHFFFAOYSA-N 1 3 250.306 -0.140 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001193642065 824042307 /nfs/dbraw/zinc/04/23/07/824042307.db2.gz LECAFWMYZSTBTD-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001193642065 824042310 /nfs/dbraw/zinc/04/23/10/824042310.db2.gz LECAFWMYZSTBTD-GFCCVEGCSA-N 1 3 257.378 -0.147 20 0 CBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccnn1CCF ZINC001194539138 824079074 /nfs/dbraw/zinc/07/90/74/824079074.db2.gz GLVYZIKLPWDJMT-UHFFFAOYSA-N 1 3 270.312 -0.073 20 0 CBADHO Cc1c(C(=O)N(CCCC[NH3+])C(=N)N)ncn1C ZINC001194861423 824094449 /nfs/dbraw/zinc/09/44/49/824094449.db2.gz IWUCVVBZOSTDAM-UHFFFAOYSA-N 1 3 252.322 -0.197 20 0 CBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859366 824134204 /nfs/dbraw/zinc/13/42/04/824134204.db2.gz ICMZYMMGZHTMCO-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871576 824135537 /nfs/dbraw/zinc/13/55/37/824135537.db2.gz PZMBTXXIBBRVKH-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001197493437 824194653 /nfs/dbraw/zinc/19/46/53/824194653.db2.gz NDXFQVOBDWWFDX-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001197493437 824194658 /nfs/dbraw/zinc/19/46/58/824194658.db2.gz NDXFQVOBDWWFDX-CHWSQXEVSA-N 1 3 287.404 -0.474 20 0 CBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198663193 824236130 /nfs/dbraw/zinc/23/61/30/824236130.db2.gz ZHKPMVDEESNCCV-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198663193 824236138 /nfs/dbraw/zinc/23/61/38/824236138.db2.gz ZHKPMVDEESNCCV-MGPQQGTHSA-N 1 3 299.415 -0.474 20 0 CBADHO CCOc1ncc(C(=O)N(CCCC[NH3+])C(=N)N)cn1 ZINC001199229608 824255318 /nfs/dbraw/zinc/25/53/18/824255318.db2.gz MAYVPAIGWWNTQA-UHFFFAOYSA-N 1 3 280.332 -0.050 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787736 824287502 /nfs/dbraw/zinc/28/75/02/824287502.db2.gz DAGJCOSOJGTXRQ-KBPBESRZSA-N 1 3 299.415 -0.332 20 0 CBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787527 824287982 /nfs/dbraw/zinc/28/79/82/824287982.db2.gz ARUMDCXQACXJCS-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)C1CCC1 ZINC001200704631 824324256 /nfs/dbraw/zinc/32/42/56/824324256.db2.gz ODOIXDOAFDWHHO-AWEZNQCLSA-N 1 3 299.415 -0.330 20 0 CBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149710 824327676 /nfs/dbraw/zinc/32/76/76/824327676.db2.gz HVERRWFZRJABPH-AWEZNQCLSA-N 1 3 298.431 -0.101 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666939 824350310 /nfs/dbraw/zinc/35/03/10/824350310.db2.gz DNCRFYWVEUJTJK-SNVBAGLBSA-N 1 3 293.371 -0.333 20 0 CBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666957 824350767 /nfs/dbraw/zinc/35/07/67/824350767.db2.gz DSRJKMCHBUVNBP-ZDUSSCGKSA-N 1 3 296.371 -0.460 20 0 CBADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203010572 824357505 /nfs/dbraw/zinc/35/75/05/824357505.db2.gz SSZJGERKMHLFHD-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001203442995 824362263 /nfs/dbraw/zinc/36/22/63/824362263.db2.gz OYLCHPWYBVJKFA-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO Cn1cc(CN2CCC[C@](C)([NH3+])CC2)c(=O)n(C)c1=O ZINC001205280627 824376407 /nfs/dbraw/zinc/37/64/07/824376407.db2.gz DSNPKFNJJQCVRM-AWEZNQCLSA-N 1 3 280.372 -0.213 20 0 CBADHO CC(=O)N1CCC(CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205946018 824390243 /nfs/dbraw/zinc/39/02/43/824390243.db2.gz HHMDKMXUSCNDER-CHWSQXEVSA-N 1 3 255.362 -0.361 20 0 CBADHO [NH3+][C@@H]1CCN(Cc2ccc3n2CCNC3)C[C@H]1O ZINC001205953440 824390435 /nfs/dbraw/zinc/39/04/35/824390435.db2.gz ZKADFWICFKFLCZ-CHWSQXEVSA-N 1 3 250.346 -0.515 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946052 824390458 /nfs/dbraw/zinc/39/04/58/824390458.db2.gz HUFOBWRHLKVROA-GWOFURMSSA-N 1 3 263.332 -0.129 20 0 CBADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946054 824390630 /nfs/dbraw/zinc/39/06/30/824390630.db2.gz HUFOBWRHLKVROA-LMLFDSFASA-N 1 3 263.332 -0.129 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206275219 824396802 /nfs/dbraw/zinc/39/68/02/824396802.db2.gz PZPLGVRGQVQGAZ-GFCCVEGCSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684266 824434188 /nfs/dbraw/zinc/43/41/88/824434188.db2.gz LYZANHRNYADXIW-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335675 824450539 /nfs/dbraw/zinc/45/05/39/824450539.db2.gz XYNLMJOXNMYGPB-TZMCWYRMSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492861 824454396 /nfs/dbraw/zinc/45/43/96/824454396.db2.gz ROCBVYKRSWFBNV-CHWSQXEVSA-N 1 3 287.404 -0.617 20 0 CBADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001209315544 824469070 /nfs/dbraw/zinc/46/90/70/824469070.db2.gz QVHLOFJEBRLFKD-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447089 824471894 /nfs/dbraw/zinc/47/18/94/824471894.db2.gz WXHRHERUQDKPFK-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454621 824472329 /nfs/dbraw/zinc/47/23/29/824472329.db2.gz MTHAKRXBTGPQRE-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001209835805 824476032 /nfs/dbraw/zinc/47/60/32/824476032.db2.gz FQUYAPNQHVYAHS-LBPRGKRZSA-N 1 3 296.371 -0.458 20 0 CBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001209835804 824476253 /nfs/dbraw/zinc/47/62/53/824476253.db2.gz FQUYAPNQHVYAHS-GFCCVEGCSA-N 1 3 296.371 -0.458 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674444 824480829 /nfs/dbraw/zinc/48/08/29/824480829.db2.gz WHFJKNUTPNAJEN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674444 824480831 /nfs/dbraw/zinc/48/08/31/824480831.db2.gz WHFJKNUTPNAJEN-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463219 824541548 /nfs/dbraw/zinc/54/15/48/824541548.db2.gz MYVXUMYEYMUHBL-GRYCIOLGSA-N 1 3 284.404 -0.491 20 0 CBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1N[C@H]1CCNC1=O ZINC001215461150 824542215 /nfs/dbraw/zinc/54/22/15/824542215.db2.gz UFPJHRXVBGYQBH-GRYCIOLGSA-N 1 3 282.388 -0.737 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216750146 824549686 /nfs/dbraw/zinc/54/96/86/824549686.db2.gz RCHWBOWGAVNSKR-JHJVBQTASA-N 1 3 296.415 -0.537 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216750146 824549694 /nfs/dbraw/zinc/54/96/94/824549694.db2.gz RCHWBOWGAVNSKR-JHJVBQTASA-N 1 3 296.415 -0.537 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001216851642 824550857 /nfs/dbraw/zinc/55/08/57/824550857.db2.gz DKRZZWINOWWERK-GRYCIOLGSA-N 1 3 284.404 -0.363 20 0 CBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1C[NH2+]C1 ZINC001218050458 824563806 /nfs/dbraw/zinc/56/38/06/824563806.db2.gz SYZWEOOSUJJBTP-UHFFFAOYSA-N 1 3 296.327 -0.889 20 0 CBADHO Cn1cnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c2ncnc1-2 ZINC001218495965 824569283 /nfs/dbraw/zinc/56/92/83/824569283.db2.gz QXPYWUVQCVAIHF-MRVPVSSYSA-N 1 3 287.327 -0.938 20 0 CBADHO Cn1cnc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c2ncnc1-2 ZINC001218494467 824569426 /nfs/dbraw/zinc/56/94/26/824569426.db2.gz HYSZJKPZESPCJF-SECBINFHSA-N 1 3 289.343 -0.420 20 0 CBADHO O=C(Nc1noc2cccnc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218503101 824572695 /nfs/dbraw/zinc/57/26/95/824572695.db2.gz LLBAZIWDADSWFT-QMMMGPOBSA-N 1 3 273.296 -0.030 20 0 CBADHO COc1nn(C)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218505139 824573793 /nfs/dbraw/zinc/57/37/93/824573793.db2.gz NQENSFIQYBFQHN-NOZJJQNGSA-N 1 3 279.344 -0.434 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218634620 824610283 /nfs/dbraw/zinc/61/02/83/824610283.db2.gz XWGLXMWMEQAXIP-RXMQYKEDSA-N 1 3 259.697 -0.160 20 0 CBADHO NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532813 824585593 /nfs/dbraw/zinc/58/55/93/824585593.db2.gz KBCXAPZPPWBBKY-WDSKDSINSA-N 1 3 255.347 -0.816 20 0 CBADHO COc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)ncn1 ZINC001218536560 824587777 /nfs/dbraw/zinc/58/77/77/824587777.db2.gz WJPLVOWGODEOBF-MRVPVSSYSA-N 1 3 263.301 -0.767 20 0 CBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218554203 824590178 /nfs/dbraw/zinc/59/01/78/824590178.db2.gz IETABEGOIOSNSA-JTQLQIEISA-N 1 3 295.343 -0.148 20 0 CBADHO CN(C)c1ccncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001218563150 824591013 /nfs/dbraw/zinc/59/10/13/824591013.db2.gz LSTQLTGTDCFUGB-KWQFWETISA-N 1 3 250.302 -0.334 20 0 CBADHO COC(=O)c1cncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218580795 824598690 /nfs/dbraw/zinc/59/86/90/824598690.db2.gz XCNMGHBTECIIPR-MRVPVSSYSA-N 1 3 291.311 -0.989 20 0 CBADHO COc1ncc(NC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218593353 824600575 /nfs/dbraw/zinc/60/05/75/824600575.db2.gz JANFIMKQDBTHRF-VIFPVBQESA-N 1 3 253.306 -0.120 20 0 CBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218621613 824605573 /nfs/dbraw/zinc/60/55/73/824605573.db2.gz KRNHXABCRCNXCI-ZCFIWIBFSA-N 1 3 282.735 -0.953 20 0 CBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218639587 824613134 /nfs/dbraw/zinc/61/31/34/824613134.db2.gz ICLDYWPVQPMHAQ-VIFPVBQESA-N 1 3 295.343 -0.230 20 0 CBADHO Nc1ncc(Cl)nc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218651670 824614999 /nfs/dbraw/zinc/61/49/99/824614999.db2.gz CJANZXZAILWBTE-LURJTMIESA-N 1 3 282.735 -0.540 20 0 CBADHO COc1ncnc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1OC ZINC001218653463 824616994 /nfs/dbraw/zinc/61/69/94/824616994.db2.gz SNYFOGVIZNLXQC-VIFPVBQESA-N 1 3 295.343 -0.241 20 0 CBADHO C[NH+](C)CCCC[C@H]([NH3+])C(=O)[N-]c1oncc1C(N)=O ZINC001218702553 824624698 /nfs/dbraw/zinc/62/46/98/824624698.db2.gz TUCMFIIPUFUAJU-VIFPVBQESA-N 1 3 283.332 -0.229 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1oncc1C(N)=O ZINC001218702553 824624701 /nfs/dbraw/zinc/62/47/01/824624701.db2.gz TUCMFIIPUFUAJU-VIFPVBQESA-N 1 3 283.332 -0.229 20 0 CBADHO N[C@H]1CCCCN(CC(=O)Nc2cncc(C[NH3+])c2)C1=O ZINC001218704946 824626512 /nfs/dbraw/zinc/62/65/12/824626512.db2.gz FYFLQQFECRHEHU-LBPRGKRZSA-N 1 3 291.355 -0.181 20 0 CBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218713118 824627451 /nfs/dbraw/zinc/62/74/51/824627451.db2.gz QRHLHDVPGWIVKV-ISTVAULSSA-N 1 3 291.355 -0.011 20 0 CBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](N)CCC[NH3+] ZINC001218743695 824631587 /nfs/dbraw/zinc/63/15/87/824631587.db2.gz WUJAKNWAQNTWHS-LURJTMIESA-N 1 3 272.740 -0.644 20 0 CBADHO CCN=c1ccc(N)cn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218741821 824631971 /nfs/dbraw/zinc/63/19/71/824631971.db2.gz RDVUZOCAKRTRCX-LLVKDONJSA-N 1 3 275.356 -0.560 20 0 CBADHO CCOC(=O)c1ncc(NC(=O)[C@H](N)CCC[NH3+])cn1 ZINC001218756690 824634706 /nfs/dbraw/zinc/63/47/06/824634706.db2.gz FOAPNLLVEIPKHG-SECBINFHSA-N 1 3 281.316 -0.342 20 0 CBADHO Cc1cnn(CCO)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218753517 824634809 /nfs/dbraw/zinc/63/48/09/824634809.db2.gz GYMAWJHQQLXJLW-VIFPVBQESA-N 1 3 255.322 -0.811 20 0 CBADHO O=C(Nc1cnc2nccn2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218784489 824637532 /nfs/dbraw/zinc/63/75/32/824637532.db2.gz LEXYLAQZCQTGAY-JTQLQIEISA-N 1 3 272.312 -0.523 20 0 CBADHO N[C@@H](C(=O)Nc1ncccc1CCO)C1CC[NH2+]CC1 ZINC001218791714 824638606 /nfs/dbraw/zinc/63/86/06/824638606.db2.gz CFNAAKWVVKEDTC-GFCCVEGCSA-N 1 3 278.356 -0.118 20 0 CBADHO [NH3+]C[C@H](O)CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025565 824653172 /nfs/dbraw/zinc/65/31/72/824653172.db2.gz MEYNAXBHQBDRLW-LLVKDONJSA-N 1 3 265.313 -0.183 20 0 CBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219028240 824654595 /nfs/dbraw/zinc/65/45/95/824654595.db2.gz WIBKVVLGTYEGCG-RYUDHWBXSA-N 1 3 277.324 -0.170 20 0 CBADHO [NH3+]Cc1ccc(NC(=O)[C@H]2COC3(CNC3)CN2)cc1 ZINC001219345637 824695348 /nfs/dbraw/zinc/69/53/48/824695348.db2.gz YLFHMVFCPPVNAU-GFCCVEGCSA-N 1 3 276.340 -0.586 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349622 824696132 /nfs/dbraw/zinc/69/61/32/824696132.db2.gz RETXCWFKXRAGPQ-IUCAKERBSA-N 1 3 264.329 -0.064 20 0 CBADHO O=C(Nc1ccc2[nH]c(=O)cnc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219437952 824710592 /nfs/dbraw/zinc/71/05/92/824710592.db2.gz GASCBEYHAVYKMC-JTQLQIEISA-N 1 3 299.334 -0.329 20 0 CBADHO NC(=O)c1cc(O)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219441630 824710682 /nfs/dbraw/zinc/71/06/82/824710682.db2.gz LPKGTDPHZIQVPB-LLVKDONJSA-N 1 3 290.323 -0.761 20 0 CBADHO Cn1ccnc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219565748 824732789 /nfs/dbraw/zinc/73/27/89/824732789.db2.gz NQEGFPOYHOJAML-NSHDSACASA-N 1 3 251.334 -0.637 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001219593750 824739567 /nfs/dbraw/zinc/73/95/67/824739567.db2.gz HIBHUZNSGMWALP-BDAKNGLRSA-N 1 3 263.363 -0.879 20 0 CBADHO N[C@@H](C(=O)NCCN1CCCCO1)C1CC[NH2+]CC1 ZINC001219632967 824865862 /nfs/dbraw/zinc/86/58/62/824865862.db2.gz VGHYPIBUZSDAFJ-GFCCVEGCSA-N 1 3 270.377 -0.543 20 0 CBADHO Cn1cnc(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219634263 824867299 /nfs/dbraw/zinc/86/72/99/824867299.db2.gz QVAASLVQSJPMFK-LBPRGKRZSA-N 1 3 265.361 -0.594 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001219638889 824868609 /nfs/dbraw/zinc/86/86/09/824868609.db2.gz RIPOGFZQGXMQEV-HOSYDEDBSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001219638889 824868614 /nfs/dbraw/zinc/86/86/14/824868614.db2.gz RIPOGFZQGXMQEV-HOSYDEDBSA-N 1 3 265.361 -0.359 20 0 CBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)CCN2CCN(C)CC2)C1 ZINC001219641604 824869585 /nfs/dbraw/zinc/86/95/85/824869585.db2.gz JIIRFYUZFORWTB-KGLIPLIRSA-N 1 3 282.432 -0.014 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219642351 824869614 /nfs/dbraw/zinc/86/96/14/824869614.db2.gz SBJCISYFJGVYCR-VWYCJHECSA-N 1 3 271.361 -0.371 20 0 CBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219649347 824872551 /nfs/dbraw/zinc/87/25/51/824872551.db2.gz IEIWMDZWGSPLGL-XJNHDZKPSA-N 1 3 275.418 -0.556 20 0 CBADHO COC(=O)c1csc(CNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001219665914 824876844 /nfs/dbraw/zinc/87/68/44/824876844.db2.gz AQOIPVBAYJWRGE-SSDOTTSWSA-N 1 3 286.357 -0.388 20 0 CBADHO CN(C(=O)CCNC(=O)[C@@H](N)CCCC[NH3+])C1CC1 ZINC001219692705 824879828 /nfs/dbraw/zinc/87/98/28/824879828.db2.gz FONQOQWAGXWLLC-NSHDSACASA-N 1 3 270.377 -0.430 20 0 CBADHO Nc1nc(=O)[nH]cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219701578 824882886 /nfs/dbraw/zinc/88/28/86/824882886.db2.gz OFYFPIMDZLCEKU-QMMMGPOBSA-N 1 3 266.305 -0.970 20 0 CBADHO COc1cccc(C[C@H](N)C(=O)N[C@@H]2COC[C@@H]2[NH3+])c1 ZINC001219720175 824886165 /nfs/dbraw/zinc/88/61/65/824886165.db2.gz HPBNQORMJYFUSU-RWMBFGLXSA-N 1 3 279.340 -0.593 20 0 CBADHO Nc1nc(=O)c(F)cn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219741208 824888307 /nfs/dbraw/zinc/88/83/07/824888307.db2.gz CURHHBNMEGQSSY-JMCQJSRRSA-N 1 3 281.291 -0.953 20 0 CBADHO NC(C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C(F)(F)F ZINC001219736974 824888769 /nfs/dbraw/zinc/88/87/69/824888769.db2.gz LTNLAROABOKIHI-RQJHMYQMSA-N 1 3 267.251 -0.629 20 0 CBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219778171 824894459 /nfs/dbraw/zinc/89/44/59/824894459.db2.gz ZRVVNDZSLCIDRM-UWVGGRQHSA-N 1 3 282.388 -0.513 20 0 CBADHO N[C@@H](CC(F)F)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801425 824896508 /nfs/dbraw/zinc/89/65/08/824896508.db2.gz ZJFZHMKZXZYJNO-IUCAKERBSA-N 1 3 277.315 -0.146 20 0 CBADHO NC(C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C(F)(F)F ZINC001219852226 824902635 /nfs/dbraw/zinc/90/26/35/824902635.db2.gz ONXGPJLNHGTYDD-RBXMUDONSA-N 1 3 281.278 -0.383 20 0 CBADHO C[C@@]1(C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)CC[NH2+]C1 ZINC001219849525 824903162 /nfs/dbraw/zinc/90/31/62/824903162.db2.gz CGDVMZYIZRXGNE-MEWQQHAOSA-N 1 3 253.346 -0.378 20 0 CBADHO N[C@@H](CC1CCC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856677 824903377 /nfs/dbraw/zinc/90/33/77/824903377.db2.gz WWOJGOKSSQBOMY-NOOOWODRSA-N 1 3 253.346 -0.393 20 0 CBADHO N[C@@H](CCOCc1ccccc1)C(=O)NCC[NH3+] ZINC001219868800 824906080 /nfs/dbraw/zinc/90/60/80/824906080.db2.gz RWRQNFZJNOCUPP-LBPRGKRZSA-N 1 3 251.330 -0.005 20 0 CBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219891856 824912585 /nfs/dbraw/zinc/91/25/85/824912585.db2.gz ZZVMIKGUWZBRPJ-SCRDCRAPSA-N 1 3 280.372 -0.950 20 0 CBADHO C[C@H](C[NH+](C)C)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001219916173 824913766 /nfs/dbraw/zinc/91/37/66/824913766.db2.gz MQGDSSAGVXKLOI-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CN[C@H](C(=O)NCC[NH2+]CCO)[C@@H](C)OC(C)(C)C ZINC001219918257 824915486 /nfs/dbraw/zinc/91/54/86/824915486.db2.gz ITWPTTSVXTULOA-MNOVXSKESA-N 1 3 275.393 -0.524 20 0 CBADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219924928 824916140 /nfs/dbraw/zinc/91/61/40/824916140.db2.gz CAUJXAGEKNEKRT-OLZOCXBDSA-N 1 3 287.363 -0.085 20 0 CBADHO Nc1ccccc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219925482 824916779 /nfs/dbraw/zinc/91/67/79/824916779.db2.gz MDGMYPMLNBDMGR-LLVKDONJSA-N 1 3 260.341 -0.306 20 0 CBADHO CC(C)(C)C(=O)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219943321 824918601 /nfs/dbraw/zinc/91/86/01/824918601.db2.gz CPWXKALCQTWABT-VIFPVBQESA-N 1 3 253.346 -0.473 20 0 CBADHO O=C(NC[C@H]1CCC(=O)N1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219959143 824921962 /nfs/dbraw/zinc/92/19/62/824921962.db2.gz JYZAHDGHNBJTES-MNOVXSKESA-N 1 3 280.372 -0.745 20 0 CBADHO O=C(NC[C@H]1CCC(=O)N1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219959143 824921967 /nfs/dbraw/zinc/92/19/67/824921967.db2.gz JYZAHDGHNBJTES-MNOVXSKESA-N 1 3 280.372 -0.745 20 0 CBADHO CCC[NH+]1CCC(NC(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001219954670 824922093 /nfs/dbraw/zinc/92/20/93/824922093.db2.gz MYTWVXZRFOTTBH-CYBMUJFWSA-N 1 3 296.415 -0.693 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959534 824922976 /nfs/dbraw/zinc/92/29/76/824922976.db2.gz YHEAPYCJMIIISN-RYUDHWBXSA-N 1 3 284.404 -0.123 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc2nonc2c1 ZINC001219965297 824923894 /nfs/dbraw/zinc/92/38/94/824923894.db2.gz IGOKHNSDEJYWJC-VIFPVBQESA-N 1 3 295.368 -0.142 20 0 CBADHO O=C(NCCn1cccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219969818 824925523 /nfs/dbraw/zinc/92/55/23/824925523.db2.gz NPZMPMQQMVGUEA-TZMCWYRMSA-N 1 3 262.357 -0.197 20 0 CBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219978074 824927530 /nfs/dbraw/zinc/92/75/30/824927530.db2.gz CBXKBHIHSJRLMF-QWHCGFSZSA-N 1 3 296.415 -0.835 20 0 CBADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219978074 824927535 /nfs/dbraw/zinc/92/75/35/824927535.db2.gz CBXKBHIHSJRLMF-QWHCGFSZSA-N 1 3 296.415 -0.835 20 0 CBADHO COC(=O)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219975276 824928376 /nfs/dbraw/zinc/92/83/76/824928376.db2.gz QCVOMLMCMDLVFX-SECBINFHSA-N 1 3 255.318 -0.850 20 0 CBADHO COC(=O)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219975276 824928379 /nfs/dbraw/zinc/92/83/79/824928379.db2.gz QCVOMLMCMDLVFX-SECBINFHSA-N 1 3 255.318 -0.850 20 0 CBADHO Cn1c(NC(=O)[C@@H](N)CCCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984806 824930496 /nfs/dbraw/zinc/93/04/96/824930496.db2.gz ZXRXLGSOWKWVAU-LURJTMIESA-N 1 3 298.303 -0.721 20 0 CBADHO CN1C[C@@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CCC1=O ZINC001220006848 824932270 /nfs/dbraw/zinc/93/22/70/824932270.db2.gz DMOVGHHAZUNOOI-CMPLNLGQSA-N 1 3 268.361 -0.950 20 0 CBADHO O=C(NCc1cccnn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220018538 824934299 /nfs/dbraw/zinc/93/42/99/824934299.db2.gz HPOPJAMDZLXMDM-ZWNOBZJWSA-N 1 3 261.329 -0.708 20 0 CBADHO O=C(NCc1cnc2[nH]ccc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220012910 824934323 /nfs/dbraw/zinc/93/43/23/824934323.db2.gz DULSNTRXCDVQIN-GFCCVEGCSA-N 1 3 285.351 -0.012 20 0 CBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220043357 824941803 /nfs/dbraw/zinc/94/18/03/824941803.db2.gz OPCIFBPHQAESQB-SNVBAGLBSA-N 1 3 275.316 -0.937 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220071581 824950763 /nfs/dbraw/zinc/95/07/63/824950763.db2.gz JUFFHSKEFSMXJW-GYSYKLTISA-N 1 3 275.356 -0.190 20 0 CBADHO Cc1nc(N)ccc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220071581 824950766 /nfs/dbraw/zinc/95/07/66/824950766.db2.gz JUFFHSKEFSMXJW-GYSYKLTISA-N 1 3 275.356 -0.190 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113004 824959221 /nfs/dbraw/zinc/95/92/21/824959221.db2.gz HTECABZSKLZLLE-NWDGAFQWSA-N 1 3 267.329 -0.392 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@H](N)CCC[NH3+])[C@@H](C)OC1 ZINC001220136838 824963006 /nfs/dbraw/zinc/96/30/06/824963006.db2.gz IUFAITQHPHJRRS-PSASIEDQSA-N 1 3 285.344 -0.595 20 0 CBADHO O=C(NC1(c2ccccn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220137095 824963099 /nfs/dbraw/zinc/96/30/99/824963099.db2.gz RAOZAJYBPQCMGL-LLVKDONJSA-N 1 3 272.352 -0.004 20 0 CBADHO Cn1cc2cccc(CNC(=O)[C@H]3C[NH2+]CC34CNC4)c2n1 ZINC001220143415 824967270 /nfs/dbraw/zinc/96/72/70/824967270.db2.gz HEXRDHNIEBOTNJ-CYBMUJFWSA-N 1 3 299.378 -0.002 20 0 CBADHO C[C@@]1(O)C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220149958 824969538 /nfs/dbraw/zinc/96/95/38/824969538.db2.gz KHDOMHLYPWYUOR-VCDKRKBESA-N 1 3 253.346 -0.785 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149926 824969977 /nfs/dbraw/zinc/96/99/77/824969977.db2.gz IHHIYHHLKHDPIB-NGZCFLSTSA-N 1 3 251.334 -0.857 20 0 CBADHO N=C(NC(=O)[C@@H](N)CCC[NH3+])c1ccc(F)cn1 ZINC001220170614 824975728 /nfs/dbraw/zinc/97/57/28/824975728.db2.gz PXXGZMFJAOWZJQ-QMMMGPOBSA-N 1 3 253.281 -0.272 20 0 CBADHO N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(F)cn1 ZINC001220170773 824976377 /nfs/dbraw/zinc/97/63/77/824976377.db2.gz ULDWSRQIUMAUOE-YMTOWFKASA-N 1 3 291.330 -0.139 20 0 CBADHO CCC1(CNC(=O)[C@H]2C[NH2+]CC23CNC3)COC1 ZINC001220170397 824976465 /nfs/dbraw/zinc/97/64/65/824976465.db2.gz JOKBSWZKWNWGCX-SNVBAGLBSA-N 1 3 253.346 -0.662 20 0 CBADHO O=C(NC[C@H]1CCNCC1(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001220185377 824982671 /nfs/dbraw/zinc/98/26/71/824982671.db2.gz GVBYALGYFOAUKR-NXEZZACHSA-N 1 3 288.342 -0.844 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220187007 824983648 /nfs/dbraw/zinc/98/36/48/824983648.db2.gz XDEQRGMJMPKXQA-DTWKUNHWSA-N 1 3 264.320 -0.586 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCC1(N2CCCC2)COC1 ZINC001220197924 824983912 /nfs/dbraw/zinc/98/39/12/824983912.db2.gz WITAPCHNNGRCQB-NSHDSACASA-N 1 3 270.377 -0.966 20 0 CBADHO O=C(NC[C@H]1C[C@@H](O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220191807 824984070 /nfs/dbraw/zinc/98/40/70/824984070.db2.gz QIHFNSTWSFLQFW-HNCHTBHHSA-N 1 3 253.346 -0.927 20 0 CBADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220221161 824989625 /nfs/dbraw/zinc/98/96/25/824989625.db2.gz SQLAOSTTZHUSAK-XQQFMLRXSA-N 1 3 296.415 -0.694 20 0 CBADHO CC1(C)C[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001220219207 824989732 /nfs/dbraw/zinc/98/97/32/824989732.db2.gz TXYRGSCETSIGOU-GHMZBOCLSA-N 1 3 267.373 -0.131 20 0 CBADHO CN1C[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])CC1=O ZINC001220245130 824993236 /nfs/dbraw/zinc/99/32/36/824993236.db2.gz HKQGODMJZSUYEM-UWVGGRQHSA-N 1 3 256.350 -0.963 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220254142 824996376 /nfs/dbraw/zinc/99/63/76/824996376.db2.gz KCWZQXGUVVWIDL-XTZNXHDOSA-N 1 3 277.434 -0.214 20 0 CBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220254143 824997013 /nfs/dbraw/zinc/99/70/13/824997013.db2.gz KCWZQXGUVVWIDL-YPMLDQLKSA-N 1 3 277.434 -0.214 20 0 CBADHO C[C@H](O)CCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277173 825003329 /nfs/dbraw/zinc/00/33/29/825003329.db2.gz TZEXBGFUPKRZPY-XQQFMLRXSA-N 1 3 287.404 -0.740 20 0 CBADHO C[C@@H](F)CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276697 825004000 /nfs/dbraw/zinc/00/40/00/825004000.db2.gz IPBDKUWXVBNPTI-UTUOFQBUSA-N 1 3 275.368 -0.153 20 0 CBADHO Cn1cc(CCNC(=O)[C@@H](N)CSCC[NH3+])cn1 ZINC001220276865 825004034 /nfs/dbraw/zinc/00/40/34/825004034.db2.gz SOWAZZAKTCECLD-JTQLQIEISA-N 1 3 271.390 -0.902 20 0 CBADHO O=C(NCC1OCCO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220289027 825006501 /nfs/dbraw/zinc/00/65/01/825006501.db2.gz PQCFRLVMXHNANS-SNVBAGLBSA-N 1 3 269.345 -0.650 20 0 CBADHO O=C(NCC1OCCO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220289027 825006507 /nfs/dbraw/zinc/00/65/07/825006507.db2.gz PQCFRLVMXHNANS-SNVBAGLBSA-N 1 3 269.345 -0.650 20 0 CBADHO O=C(N[C@H]1COC(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220295912 825008238 /nfs/dbraw/zinc/00/82/38/825008238.db2.gz AOOYGHJFBCCZDU-NXEZZACHSA-N 1 3 267.329 -0.708 20 0 CBADHO O=C(N[C@H]1COC(=O)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220295912 825008242 /nfs/dbraw/zinc/00/82/42/825008242.db2.gz AOOYGHJFBCCZDU-NXEZZACHSA-N 1 3 267.329 -0.708 20 0 CBADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cnn(C)c1 ZINC001220308078 825008932 /nfs/dbraw/zinc/00/89/32/825008932.db2.gz BTEXCHDLTUJKAQ-MPKXVKKWSA-N 1 3 277.372 -0.204 20 0 CBADHO [NH3+][C@H]1CC[C@@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220311055 825012787 /nfs/dbraw/zinc/01/27/87/825012787.db2.gz JROSGFPVZQAADV-UWVGGRQHSA-N 1 3 263.345 -0.270 20 0 CBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316893 825014063 /nfs/dbraw/zinc/01/40/63/825014063.db2.gz UMJBYDSKNMAEMN-OUCADQQQSA-N 1 3 293.371 -0.693 20 0 CBADHO N[C@@H](C(=O)N[C@H]1CC12CCOCC2)C1CC[NH2+]CC1 ZINC001220329168 825015555 /nfs/dbraw/zinc/01/55/55/825015555.db2.gz IDLVUCKTCAIEIU-NWDGAFQWSA-N 1 3 267.373 -0.001 20 0 CBADHO O=C(N[C@H]1CC12CCOCC2)[C@H]1C[NH2+]CC12CNC2 ZINC001220329401 825017076 /nfs/dbraw/zinc/01/70/76/825017076.db2.gz ONEIGRIMJGLPLK-MNOVXSKESA-N 1 3 265.357 -0.519 20 0 CBADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220335799 825017312 /nfs/dbraw/zinc/01/73/12/825017312.db2.gz UNNRZPXVQTZTBS-AGIUHOORSA-N 1 3 269.389 -0.054 20 0 CBADHO COc1ccc(CNC(=O)[C@@H](N)CCC[NH3+])nn1 ZINC001220343103 825020322 /nfs/dbraw/zinc/02/03/22/825020322.db2.gz DZWREMMFXBWWBU-VIFPVBQESA-N 1 3 253.306 -0.832 20 0 CBADHO COC(=O)c1n[nH]cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001220373656 825023643 /nfs/dbraw/zinc/02/36/43/825023643.db2.gz WOXIONQCIADEIN-ZCFIWIBFSA-N 1 3 255.278 -0.799 20 0 CBADHO CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220382230 825024776 /nfs/dbraw/zinc/02/47/76/825024776.db2.gz TYRMNKKFJBGZMD-QWHCGFSZSA-N 1 3 296.415 -0.693 20 0 CBADHO CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220382230 825024778 /nfs/dbraw/zinc/02/47/78/825024778.db2.gz TYRMNKKFJBGZMD-QWHCGFSZSA-N 1 3 296.415 -0.693 20 0 CBADHO CN1CCOC[C@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220382228 825025154 /nfs/dbraw/zinc/02/51/54/825025154.db2.gz TYRMNKKFJBGZMD-CHWSQXEVSA-N 1 3 296.415 -0.693 20 0 CBADHO CN1CCOC[C@H]1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220382228 825025157 /nfs/dbraw/zinc/02/51/57/825025157.db2.gz TYRMNKKFJBGZMD-CHWSQXEVSA-N 1 3 296.415 -0.693 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001220405727 825031398 /nfs/dbraw/zinc/03/13/98/825031398.db2.gz CKGUWCTYHORSLS-WOPDTQHZSA-N 1 3 283.372 -0.229 20 0 CBADHO O=C(N[C@@H](CO)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220448009 825041040 /nfs/dbraw/zinc/04/10/40/825041040.db2.gz UOJFJTGMYLHAMU-KHQFGBGNSA-N 1 3 281.278 -0.775 20 0 CBADHO COCCOc1ccc(CNC(=O)[C@H](N)CCC[NH3+])cn1 ZINC001220458601 825042305 /nfs/dbraw/zinc/04/23/05/825042305.db2.gz XADOUOWMBPPEKD-GFCCVEGCSA-N 1 3 296.371 -0.211 20 0 CBADHO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220466320 825044527 /nfs/dbraw/zinc/04/45/27/825044527.db2.gz ATMYVNQLWMUAIA-STQMWFEESA-N 1 3 281.400 -0.147 20 0 CBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481794 825049019 /nfs/dbraw/zinc/04/90/19/825049019.db2.gz RPFVXXLOPXILIZ-UPJWGTAASA-N 1 3 287.404 -0.564 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220494720 825049446 /nfs/dbraw/zinc/04/94/46/825049446.db2.gz RHDDAVLOWCSERI-NSHDSACASA-N 1 3 265.361 -0.322 20 0 CBADHO CN(CC[NH3+])CCNC(=O)[C@H](N)Cc1cccc(O)c1 ZINC001220517738 825054431 /nfs/dbraw/zinc/05/44/31/825054431.db2.gz XYPKKORBRLGTFP-CYBMUJFWSA-N 1 3 280.372 -0.731 20 0 CBADHO CCOC(=O)CN(CC[NH3+])C(=O)C(N)C(F)(F)F ZINC001220583502 825071072 /nfs/dbraw/zinc/07/10/72/825071072.db2.gz NTAAZXSLZUTYOB-SSDOTTSWSA-N 1 3 271.239 -0.774 20 0 CBADHO C[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220565912 825064599 /nfs/dbraw/zinc/06/45/99/825064599.db2.gz UXAFDLAYLDPAIX-KXUCPTDWSA-N 1 3 261.391 -0.453 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C1=O ZINC001220591260 825073295 /nfs/dbraw/zinc/07/32/95/825073295.db2.gz ZXZLQVMLNKTMPV-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CN1CCC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C1=O ZINC001220590308 825073905 /nfs/dbraw/zinc/07/39/05/825073905.db2.gz KVWGAYKIHQADEE-UWVGGRQHSA-N 1 3 256.350 -0.820 20 0 CBADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1COC2(CNC2)CN1 ZINC001220678606 825084468 /nfs/dbraw/zinc/08/44/68/825084468.db2.gz GCGASMQWGCTJDQ-LOWDOPEQSA-N 1 3 294.399 -0.894 20 0 CBADHO O=C(NCC1Oc2ccccc2O1)[C@H]1C[NH2+]CC12CNC2 ZINC001220708921 825090063 /nfs/dbraw/zinc/09/00/63/825090063.db2.gz LSHLZOKJENGQEM-SNVBAGLBSA-N 1 3 289.335 -0.291 20 0 CBADHO N[C@H](C(=O)NCCN1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC001220808227 825104190 /nfs/dbraw/zinc/10/41/90/825104190.db2.gz MGTBIKXKCLWLGP-NSHDSACASA-N 1 3 290.358 -0.230 20 0 CBADHO O=C(NCc1ccc(O)cc1F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220821380 825106043 /nfs/dbraw/zinc/10/60/43/825106043.db2.gz HHKWITJAPNVDRQ-NSHDSACASA-N 1 3 279.315 -0.044 20 0 CBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CNC[C@H](F)C2)C[NH2+]C1 ZINC001220826809 825107179 /nfs/dbraw/zinc/10/71/79/825107179.db2.gz AHQIYZONKNCBMV-RKDXNWHRSA-N 1 3 285.319 -0.529 20 0 CBADHO CSCC[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220840619 825110459 /nfs/dbraw/zinc/11/04/59/825110459.db2.gz QYPUGYRRBVMEDR-UWVGGRQHSA-N 1 3 288.417 -0.964 20 0 CBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220849122 825112517 /nfs/dbraw/zinc/11/25/17/825112517.db2.gz SRZYDFGYQJPUIU-VHSXEESVSA-N 1 3 269.345 -0.889 20 0 CBADHO CCC[C@@H](CCO)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220870071 825116824 /nfs/dbraw/zinc/11/68/24/825116824.db2.gz GJODDCFHDQBLEB-UWVGGRQHSA-N 1 3 263.407 -0.327 20 0 CBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)CCCNC(N)=O ZINC001220857903 825113645 /nfs/dbraw/zinc/11/36/45/825113645.db2.gz XFQGEPQDGALILZ-BDAKNGLRSA-N 1 3 273.381 -0.748 20 0 CBADHO C[S@](=O)CC[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001220855405 825113813 /nfs/dbraw/zinc/11/38/13/825113813.db2.gz XCAIQHLELAWWSV-BUXKBTBVSA-N 1 3 283.397 -0.143 20 0 CBADHO CCC[C@@H](CCO)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220868443 825115106 /nfs/dbraw/zinc/11/51/06/825115106.db2.gz JSVWBUSDSUQWFF-WDEREUQCSA-N 1 3 255.362 -0.537 20 0 CBADHO O=C(NCCc1c[nH]c2ccncc12)[C@H]1[NH2+]CC[C@@H]1O ZINC001220865723 825115900 /nfs/dbraw/zinc/11/59/00/825115900.db2.gz ITMQZKSMDYATPY-STQMWFEESA-N 1 3 274.324 -0.056 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220882149 825119689 /nfs/dbraw/zinc/11/96/89/825119689.db2.gz SMHIKWMZKQMDAJ-ONGXEEELSA-N 1 3 251.334 -0.842 20 0 CBADHO NC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918881 825123691 /nfs/dbraw/zinc/12/36/91/825123691.db2.gz KHSBYBKYGDNQRN-PWSUYJOCSA-N 1 3 254.378 -0.204 20 0 CBADHO NC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918881 825123694 /nfs/dbraw/zinc/12/36/94/825123694.db2.gz KHSBYBKYGDNQRN-PWSUYJOCSA-N 1 3 254.378 -0.204 20 0 CBADHO O=C(NC1(c2ncccn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220931885 825125543 /nfs/dbraw/zinc/12/55/43/825125543.db2.gz CBPNIAYREWNTBT-JTQLQIEISA-N 1 3 273.340 -0.609 20 0 CBADHO Cc1noc(C2(NC(=O)[C@@H](N)CSCC[NH3+])CC2)n1 ZINC001220932280 825125905 /nfs/dbraw/zinc/12/59/05/825125905.db2.gz KADIALRQQOMFEE-QMMMGPOBSA-N 1 3 285.373 -0.497 20 0 CBADHO Cc1noc(C2(NC(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001220932022 825126272 /nfs/dbraw/zinc/12/62/72/825126272.db2.gz FOHMHVCOBAJKGI-VIFPVBQESA-N 1 3 277.328 -0.708 20 0 CBADHO O=C(N[C@@H]1CCCc2nccnc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220948918 825126900 /nfs/dbraw/zinc/12/69/00/825126900.db2.gz KGXGELIQCNDGEP-CMPLNLGQSA-N 1 3 287.367 -0.221 20 0 CBADHO O=C(N[C@H]1CCCc2nccnc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220948920 825127756 /nfs/dbraw/zinc/12/77/56/825127756.db2.gz KGXGELIQCNDGEP-PWSUYJOCSA-N 1 3 287.367 -0.221 20 0 CBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001221010684 825135040 /nfs/dbraw/zinc/13/50/40/825135040.db2.gz ODYXBXAIUZCTBU-USWWRNFRSA-N 1 3 255.362 -0.003 20 0 CBADHO [NH3+][C@H]1CN[C@H](C(=O)NCc2ncn3ccccc23)C1 ZINC001221008185 825135525 /nfs/dbraw/zinc/13/55/25/825135525.db2.gz MGMJOKJCZALVAC-ZJUUUORDSA-N 1 3 259.313 -0.360 20 0 CBADHO N[C@H]1C[NH2+][C@H](C(=O)NCc2ncn3ccccc23)C1 ZINC001221008185 825135533 /nfs/dbraw/zinc/13/55/33/825135533.db2.gz MGMJOKJCZALVAC-ZJUUUORDSA-N 1 3 259.313 -0.360 20 0 CBADHO N[C@H](C(=O)NCCc1nncs1)C1CC[NH2+]CC1 ZINC001221012819 825137056 /nfs/dbraw/zinc/13/70/56/825137056.db2.gz CECICWFKEFANFN-JTQLQIEISA-N 1 3 269.374 -0.476 20 0 CBADHO O=C(NCc1cn(CC2CC2)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221024145 825138687 /nfs/dbraw/zinc/13/86/87/825138687.db2.gz ZKVHLDGPPPBFRS-ZDUSSCGKSA-N 1 3 289.383 -0.282 20 0 CBADHO COC(=O)c1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)[nH]1 ZINC001221080342 825141539 /nfs/dbraw/zinc/14/15/39/825141539.db2.gz YALNCWXFKAIZNC-LBPRGKRZSA-N 1 3 294.355 -0.256 20 0 CBADHO O=C(NC1(c2cnccn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221082287 825142035 /nfs/dbraw/zinc/14/20/35/825142035.db2.gz OFGGDKHZRONWQY-SNVBAGLBSA-N 1 3 273.340 -0.609 20 0 CBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccnn1CCF ZINC001221106429 825145474 /nfs/dbraw/zinc/14/54/74/825145474.db2.gz YWXZKGXACIHZJL-SNVBAGLBSA-N 1 3 257.313 -0.465 20 0 CBADHO N[C@H](C(=O)NCc1ccnn1CCF)C1CC[NH2+]CC1 ZINC001221107586 825145571 /nfs/dbraw/zinc/14/55/71/825145571.db2.gz FWRMHTCHIFCHGS-LBPRGKRZSA-N 1 3 283.351 -0.204 20 0 CBADHO COCC1(CNC(=O)[C@@H](N)CCC[NH3+])CCOCC1 ZINC001221176540 825149742 /nfs/dbraw/zinc/14/97/42/825149742.db2.gz CMIYPQBURMCCGS-NSHDSACASA-N 1 3 273.377 -0.388 20 0 CBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221194071 825152842 /nfs/dbraw/zinc/15/28/42/825152842.db2.gz KUPCGMRRIAXLAX-QMMMGPOBSA-N 1 3 294.384 -0.407 20 0 CBADHO CCOC(=O)/C=C(/NC(=O)[C@@H]1C[NH2+]CC12CNC2)OCC ZINC001221262511 825163657 /nfs/dbraw/zinc/16/36/57/825163657.db2.gz GWPGBJIQOOBGLF-QIMWGGGBSA-N 1 3 297.355 -0.647 20 0 CBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269520 825165356 /nfs/dbraw/zinc/16/53/56/825165356.db2.gz PFXBLASKVBGLBK-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO O=C(NC[C@@H](O)CF)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221339084 825173384 /nfs/dbraw/zinc/17/33/84/825173384.db2.gz VXXCIEVURQMGPU-UWVGGRQHSA-N 1 3 259.325 -0.693 20 0 CBADHO O=C(NC[C@@H](O)CF)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221339084 825173387 /nfs/dbraw/zinc/17/33/87/825173387.db2.gz VXXCIEVURQMGPU-UWVGGRQHSA-N 1 3 259.325 -0.693 20 0 CBADHO O=C(NC[C@H](O)CF)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221339086 825173393 /nfs/dbraw/zinc/17/33/93/825173393.db2.gz VXXCIEVURQMGPU-ZJUUUORDSA-N 1 3 259.325 -0.693 20 0 CBADHO O=C(NC[C@H](O)CF)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221339086 825173395 /nfs/dbraw/zinc/17/33/95/825173395.db2.gz VXXCIEVURQMGPU-ZJUUUORDSA-N 1 3 259.325 -0.693 20 0 CBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221338709 825173949 /nfs/dbraw/zinc/17/39/49/825173949.db2.gz ROUVMJCXAQSDJU-ZDUSSCGKSA-N 1 3 288.355 -0.050 20 0 CBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365330 825175887 /nfs/dbraw/zinc/17/58/87/825175887.db2.gz CBDBJQOFTZXIPH-OUAUKWLOSA-N 1 3 269.324 -0.894 20 0 CBADHO COC1CC(CNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001221367994 825177672 /nfs/dbraw/zinc/17/76/72/825177672.db2.gz VMZMTOMDLQZVMN-VQXHTEKXSA-N 1 3 253.346 -0.663 20 0 CBADHO O=C(NC[C@@H](CO)c1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221376639 825179141 /nfs/dbraw/zinc/17/91/41/825179141.db2.gz DVDHJCYCERTPQK-UONOGXRCSA-N 1 3 289.379 -0.312 20 0 CBADHO N[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C1 ZINC001221400120 825183165 /nfs/dbraw/zinc/18/31/65/825183165.db2.gz YRFOLPUZVCRLOW-ZFWWWQNUSA-N 1 3 274.368 -0.492 20 0 CBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1nnc(C)[n-]1 ZINC001221406181 825184077 /nfs/dbraw/zinc/18/40/77/825184077.db2.gz DPYQWAVXFNCZOK-VIFPVBQESA-N 1 3 254.338 -0.554 20 0 CBADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)N(C)C ZINC001228660391 825320019 /nfs/dbraw/zinc/32/00/19/825320019.db2.gz FIONSQKHBXYZKJ-UTUOFQBUSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001229504653 825332476 /nfs/dbraw/zinc/33/24/76/825332476.db2.gz XQDHZJVDDSCEOM-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001229504653 825332488 /nfs/dbraw/zinc/33/24/88/825332488.db2.gz XQDHZJVDDSCEOM-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001229860178 825338371 /nfs/dbraw/zinc/33/83/71/825338371.db2.gz NLZKZFINQRVVSM-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C(c1nc2c(s1)CNCC2)N1CCNC[C@]12CC[NH2+]C2 ZINC001234986725 825480255 /nfs/dbraw/zinc/48/02/55/825480255.db2.gz CAAXRGCUXVGJCM-CQSZACIVSA-N 1 3 293.440 -0.074 20 0 CBADHO [NH3+]CCCCN1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001235634198 825508885 /nfs/dbraw/zinc/50/88/85/825508885.db2.gz BMXXSABVDNOKFC-MGPQQGTHSA-N 1 3 297.399 -0.327 20 0 CBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cn[nH]n3)C[C@H]1C2 ZINC001236022722 825519334 /nfs/dbraw/zinc/51/93/34/825519334.db2.gz MVNLYZTXJCHZBI-LEKOTGGOSA-N 1 3 291.355 -0.365 20 0 CBADHO COC(=O)[C@@H]1CNCCN1CCC12CC([NH3+])(C1)C2 ZINC001236051740 825521762 /nfs/dbraw/zinc/52/17/62/825521762.db2.gz YHBMUSCGEMGREY-PKSQDBQZSA-N 1 3 253.346 -0.295 20 0 CBADHO COC(=O)[C@@H]1CN(Cc2ccc3n2CCNC3)C[C@H]1[NH3+] ZINC001236344384 825528217 /nfs/dbraw/zinc/52/82/17/825528217.db2.gz BRXGVPBIWADWMK-CHWSQXEVSA-N 1 3 278.356 -0.477 20 0 CBADHO COC(=O)[C@@H]1CN(C[C@@H]2[C@@H](C)CNCC2(F)F)C[C@H]1[NH3+] ZINC001236346508 825529453 /nfs/dbraw/zinc/52/94/53/825529453.db2.gz ZNIQXHXFSRVCKW-LNFKQOIKSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@H+](C[C@@H]2[C@@H](C)CNCC2(F)F)C[C@H]1N ZINC001236346508 825529456 /nfs/dbraw/zinc/52/94/56/825529456.db2.gz ZNIQXHXFSRVCKW-LNFKQOIKSA-N 1 3 291.342 -0.091 20 0 CBADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2[C@@H](C)CNCC2(F)F)C[C@H]1N ZINC001236346508 825529461 /nfs/dbraw/zinc/52/94/61/825529461.db2.gz ZNIQXHXFSRVCKW-LNFKQOIKSA-N 1 3 291.342 -0.091 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001238074591 825547014 /nfs/dbraw/zinc/54/70/14/825547014.db2.gz KROSJGHKVUXRJO-SSDOTTSWSA-N 1 3 257.306 -0.891 20 0 CBADHO NCCS(=O)(=O)NC[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001238222593 825549416 /nfs/dbraw/zinc/54/94/16/825549416.db2.gz SOGYSPQVCFWJGP-JTQLQIEISA-N 1 3 277.390 -0.977 20 0 CBADHO NCCS(=O)(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001238276725 825550679 /nfs/dbraw/zinc/55/06/79/825550679.db2.gz MWQMRBPOQDMYJE-NSHDSACASA-N 1 3 286.401 -0.524 20 0 CBADHO NCCS(=O)(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001238368501 825553393 /nfs/dbraw/zinc/55/33/93/825553393.db2.gz TVPGDYTUMSAAJM-UHFFFAOYSA-N 1 3 298.412 -0.073 20 0 CBADHO NCCS(=O)(=O)NC1CCC2(CC[NH2+]C2)CC1 ZINC001238470617 825554167 /nfs/dbraw/zinc/55/41/67/825554167.db2.gz ZTCFAEYGAKVJNY-UHFFFAOYSA-N 1 3 261.391 -0.213 20 0 CBADHO NCCS(=O)(=O)N[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001238545449 825555887 /nfs/dbraw/zinc/55/58/87/825555887.db2.gz USBSVTUGXLIOSJ-SNVBAGLBSA-N 1 3 277.390 -0.834 20 0 CBADHO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001238626063 825557332 /nfs/dbraw/zinc/55/73/32/825557332.db2.gz QOBIYIKWBQGMNW-ZYHUDNBSSA-N 1 3 291.417 -0.718 20 0 CBADHO NCCS(=O)(=O)NC1(CC2CC2)CC[NH2+]CC1 ZINC001238825129 825564324 /nfs/dbraw/zinc/56/43/24/825564324.db2.gz PTKOUNIDOJXYSB-UHFFFAOYSA-N 1 3 261.391 -0.213 20 0 CBADHO CC(C)(C)CN1CC[C@H](NS(=O)(=O)CC[NH3+])C1 ZINC001238807157 825565335 /nfs/dbraw/zinc/56/53/35/825565335.db2.gz DCMULCAUDYMQHO-JTQLQIEISA-N 1 3 263.407 -0.015 20 0 CBADHO N[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1F ZINC001238922495 825572488 /nfs/dbraw/zinc/57/24/88/825572488.db2.gz OPQQMQKZJJPRDJ-BDAKNGLRSA-N 1 3 251.327 -0.951 20 0 CBADHO CN(C[C@@H]1CNCCO1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238938765 825574903 /nfs/dbraw/zinc/57/49/03/825574903.db2.gz PRUJIPXONYXQNJ-LBPRGKRZSA-N 1 3 291.417 -0.764 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001238999736 825581713 /nfs/dbraw/zinc/58/17/13/825581713.db2.gz JPYPBKNGXNXWMW-LLVKDONJSA-N 1 3 261.391 -0.260 20 0 CBADHO NCCS(=O)(=O)N1CCC2(CCCC[NH2+]2)CC1 ZINC001239001478 825582002 /nfs/dbraw/zinc/58/20/02/825582002.db2.gz SEROGUGBDBSHLC-UHFFFAOYSA-N 1 3 261.391 -0.117 20 0 CBADHO NCCS(=O)(=O)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001239007037 825582581 /nfs/dbraw/zinc/58/25/81/825582581.db2.gz ZZCYMIGIXQUPNZ-NSHDSACASA-N 1 3 261.391 -0.117 20 0 CBADHO NCCS(=O)(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001239073424 825585257 /nfs/dbraw/zinc/58/52/57/825585257.db2.gz MZEIUKSFQVVMCV-DTWKUNHWSA-N 1 3 265.354 -0.716 20 0 CBADHO COCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363241 825600229 /nfs/dbraw/zinc/60/02/29/825600229.db2.gz LWXBYLMSGGQNAL-SNVBAGLBSA-N 1 3 272.418 -0.071 20 0 CBADHO [NH3+]C[C@H]1CN(C(=S)NCCN2CCCCC2)C[C@@H]1O ZINC001239413622 825604251 /nfs/dbraw/zinc/60/42/51/825604251.db2.gz IGRFANPYOAFZDF-RYUDHWBXSA-N 1 3 286.445 -0.402 20 0 CBADHO C[C@@H]1CC[C@@H](CNC[C@H](O)CN2CCOCC2)C[NH2+]1 ZINC001245977507 825615974 /nfs/dbraw/zinc/61/59/74/825615974.db2.gz WQISJPNRWKGRQC-RDBSUJKOSA-N 1 3 271.405 -0.343 20 0 CBADHO O[C@@H](CNC[C@@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983057 825617958 /nfs/dbraw/zinc/61/79/58/825617958.db2.gz RQCJGRMTJDBQBQ-OLZOCXBDSA-N 1 3 257.378 -0.731 20 0 CBADHO O[C@H](CNC[C@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC001245983058 825618485 /nfs/dbraw/zinc/61/84/85/825618485.db2.gz RQCJGRMTJDBQBQ-QWHCGFSZSA-N 1 3 257.378 -0.731 20 0 CBADHO CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246010122 825621285 /nfs/dbraw/zinc/62/12/85/825621285.db2.gz XLNCJCSIYIAASA-VHSXEESVSA-N 1 3 289.376 -0.739 20 0 CBADHO C[C@H]1CN(C[C@@H](O)CN2CCOCC2)C[C@H]1C[NH3+] ZINC001246018204 825622563 /nfs/dbraw/zinc/62/25/63/825622563.db2.gz VFYXTPOOHFVGKA-XQQFMLRXSA-N 1 3 257.378 -0.794 20 0 CBADHO C[C@]1([NH3+])CCCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021606 825624814 /nfs/dbraw/zinc/62/48/14/825624814.db2.gz ODDNPPDPZAMAHY-KGLIPLIRSA-N 1 3 271.405 -0.117 20 0 CBADHO COC(=O)N1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088143 825635270 /nfs/dbraw/zinc/63/52/70/825635270.db2.gz JXRKZLPIIPAFAB-WCQYABFASA-N 1 3 289.351 -0.131 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@H]2C[NH2+][C@H](C)C2)CN1 ZINC001246100285 825636486 /nfs/dbraw/zinc/63/64/86/825636486.db2.gz MMPCKPQOFFNRIW-KKOKHZNYSA-N 1 3 255.362 -0.132 20 0 CBADHO COC(=O)[C@@H]1CC[C@H](NC[C@H]2C[NH2+]C[C@H]2C)CN1 ZINC001246112986 825636710 /nfs/dbraw/zinc/63/67/10/825636710.db2.gz WBQJNVSWCSYFJS-WYUUTHIRSA-N 1 3 255.362 -0.275 20 0 CBADHO COC(=O)[C@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145322 825640989 /nfs/dbraw/zinc/64/09/89/825640989.db2.gz MEDWIQIJWSWXFW-YNEHKIRRSA-N 1 3 296.415 -0.646 20 0 CBADHO COC(=O)[C@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246145309 825641205 /nfs/dbraw/zinc/64/12/05/825641205.db2.gz MEDWIQIJWSWXFW-RWMBFGLXSA-N 1 3 296.415 -0.646 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246200139 825649507 /nfs/dbraw/zinc/64/95/07/825649507.db2.gz OQFGBGDNBBUSAJ-TUAOUCFPSA-N 1 3 255.362 -0.131 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NCCN2CCC[N@H+](C)CC2)CN1 ZINC001246242496 825655949 /nfs/dbraw/zinc/65/59/49/825655949.db2.gz YCCYCBKIIUMWSA-STQMWFEESA-N 1 3 284.404 -0.883 20 0 CBADHO COC(=O)[C@@H]1C[C@H](NCCN2CCC[N@@H+](C)CC2)CN1 ZINC001246242496 825655954 /nfs/dbraw/zinc/65/59/54/825655954.db2.gz YCCYCBKIIUMWSA-STQMWFEESA-N 1 3 284.404 -0.883 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246255457 825656543 /nfs/dbraw/zinc/65/65/43/825656543.db2.gz KJPLNOGHJRCPIO-ZJQBRPOHSA-N 1 3 283.372 -0.609 20 0 CBADHO CC(=O)N[C@@H](CCCCN[C@H]1CC[C@H](C)[NH2+]C1)C(N)=O ZINC001246269118 825657994 /nfs/dbraw/zinc/65/79/94/825657994.db2.gz KXXUUCUFFQZLAB-DRZSPHRISA-N 1 3 284.404 -0.123 20 0 CBADHO CC(=O)N[C@@H](CCCCN[C@H]1CCC[NH2+]C1)C(N)=O ZINC001246266381 825658240 /nfs/dbraw/zinc/65/82/40/825658240.db2.gz BQWXMEPLKRTAMT-RYUDHWBXSA-N 1 3 270.377 -0.512 20 0 CBADHO CCOC(=O)C1=C(N[C@H]2CCNC3(C[NH2+]C3)C2)CCNC1 ZINC001246284353 825659452 /nfs/dbraw/zinc/65/94/52/825659452.db2.gz MICZEQHINTYPTO-NSHDSACASA-N 1 3 294.399 -0.520 20 0 CBADHO CNC(=O)[C@H](CCCC[NH2+]C1CCNCC1)NC(C)=O ZINC001246403229 825670747 /nfs/dbraw/zinc/67/07/47/825670747.db2.gz BVXHDLUZJKHGSN-ZDUSSCGKSA-N 1 3 284.404 -0.251 20 0 CBADHO CC(=O)N1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246412404 825671900 /nfs/dbraw/zinc/67/19/00/825671900.db2.gz CNQXRDDDWUTNSE-MNOVXSKESA-N 1 3 256.350 -0.820 20 0 CBADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246405419 825671948 /nfs/dbraw/zinc/67/19/48/825671948.db2.gz OTYFAYPNTFSICX-TUAOUCFPSA-N 1 3 295.391 -0.271 20 0 CBADHO CCOC(=O)N1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246416829 825672545 /nfs/dbraw/zinc/67/25/45/825672545.db2.gz MOWYEZWMOYPLNZ-QWRGUYRKSA-N 1 3 286.376 -0.210 20 0 CBADHO COC(=O)[C@@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)CN1 ZINC001246479380 825676743 /nfs/dbraw/zinc/67/67/43/825676743.db2.gz UMCPHPRNQZVYIH-KGLIPLIRSA-N 1 3 298.431 -0.364 20 0 CBADHO C1[NH2+]CC12C[C@H](N1CCN([C@H]3CCOC3)CC1)CCN2 ZINC001246537960 825682572 /nfs/dbraw/zinc/68/25/72/825682572.db2.gz LRUDXLLPZLEHSC-KGLIPLIRSA-N 1 3 280.416 -0.513 20 0 CBADHO c1cnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cn1 ZINC001246538920 825682710 /nfs/dbraw/zinc/68/27/10/825682710.db2.gz OSZQRJZZRHOMHC-ZDUSSCGKSA-N 1 3 288.399 -0.307 20 0 CBADHO COC(=O)[C@@H]1CCC[C@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246579625 825688572 /nfs/dbraw/zinc/68/85/72/825688572.db2.gz FXGPQPKVVPCEOM-RHYQMDGZSA-N 1 3 256.346 -0.030 20 0 CBADHO NC[C@H]1C[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585192 825690979 /nfs/dbraw/zinc/69/09/79/825690979.db2.gz OVOADNQPNRZOBA-BJDJZHNGSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585192 825690983 /nfs/dbraw/zinc/69/09/83/825690983.db2.gz OVOADNQPNRZOBA-BJDJZHNGSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585197 825691615 /nfs/dbraw/zinc/69/16/15/825691615.db2.gz OVOADNQPNRZOBA-USZNOCQGSA-N 1 3 266.349 -0.592 20 0 CBADHO NC[C@H]1C[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@@H]1O ZINC001246585197 825691619 /nfs/dbraw/zinc/69/16/19/825691619.db2.gz OVOADNQPNRZOBA-USZNOCQGSA-N 1 3 266.349 -0.592 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246599678 825693779 /nfs/dbraw/zinc/69/37/79/825693779.db2.gz DGTUOWMAKOPTCP-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1CCCC[NH2+]C1 ZINC001246598830 825694070 /nfs/dbraw/zinc/69/40/70/825694070.db2.gz ORBLNFIUXKUMSK-RYUDHWBXSA-N 1 3 255.362 -0.035 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CN1 ZINC001246701839 825708166 /nfs/dbraw/zinc/70/81/66/825708166.db2.gz NMVUQWZSKGIRKE-XQHKEYJVSA-N 1 3 267.373 -0.227 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CN1 ZINC001246701839 825708170 /nfs/dbraw/zinc/70/81/70/825708170.db2.gz NMVUQWZSKGIRKE-XQHKEYJVSA-N 1 3 267.373 -0.227 20 0 CBADHO C([C@@H]1CCCO1)N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778635 825710997 /nfs/dbraw/zinc/71/09/97/825710997.db2.gz WPTVDTJGYDYYJJ-CABCVRRESA-N 1 3 294.443 -0.123 20 0 CBADHO CN(C)CCN1CCN([C@@H]2CCC[NH2+]C2)CCC1=O ZINC001246838990 825718556 /nfs/dbraw/zinc/71/85/56/825718556.db2.gz GRAVRIDNVUCKPC-CYBMUJFWSA-N 1 3 268.405 -0.166 20 0 CBADHO CC1(C)CN(C2CN([C@H]3CCNC4(C[NH2+]C4)C3)C2)CCO1 ZINC001246844978 825721107 /nfs/dbraw/zinc/72/11/07/825721107.db2.gz JVONSRBQNFBIKH-ZDUSSCGKSA-N 1 3 294.443 -0.125 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246856515 825722648 /nfs/dbraw/zinc/72/26/48/825722648.db2.gz BPAPQXAHRSYTNR-QWRGUYRKSA-N 1 3 253.346 -0.425 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CCC[N@H+](C)CC1 ZINC001246858037 825722978 /nfs/dbraw/zinc/72/29/78/825722978.db2.gz ZJSVULDUBPAGQY-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CCC[N@@H+](C)CC1 ZINC001246858037 825722983 /nfs/dbraw/zinc/72/29/83/825722983.db2.gz ZJSVULDUBPAGQY-NEPJUHHUSA-N 1 3 255.362 -0.083 20 0 CBADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)N2 ZINC001246910179 825730002 /nfs/dbraw/zinc/73/00/02/825730002.db2.gz ZWGCHKJPXSUWBP-GDGRRUBZSA-N 1 3 269.345 -0.920 20 0 CBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246977765 825737877 /nfs/dbraw/zinc/73/78/77/825737877.db2.gz QUXSWNLSRQEWPJ-MJBXVCDLSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246963353 825737944 /nfs/dbraw/zinc/73/79/44/825737944.db2.gz AEUVPHVFTZPCSA-XBFCOCLRSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)CN1 ZINC001246963353 825737949 /nfs/dbraw/zinc/73/79/49/825737949.db2.gz AEUVPHVFTZPCSA-XBFCOCLRSA-N 1 3 296.415 -0.613 20 0 CBADHO COC(=O)[C@@H]1C[C@H](N2CCC([N@H+]3CC[C@@H](N)C3)CC2)CN1 ZINC001246963353 825737954 /nfs/dbraw/zinc/73/79/54/825737954.db2.gz AEUVPHVFTZPCSA-XBFCOCLRSA-N 1 3 296.415 -0.613 20 0 CBADHO C[NH+]1CCC2(CN(C[C@H](O)CN3CCOCC3)C2)CC1 ZINC001251020073 825763670 /nfs/dbraw/zinc/76/36/70/825763670.db2.gz CNSADHKBGSKSIM-CQSZACIVSA-N 1 3 283.416 -0.293 20 0 CBADHO CCOC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252043421 825814675 /nfs/dbraw/zinc/81/46/75/825814675.db2.gz FQBNIUWDUWZSKZ-ZDUSSCGKSA-N 1 3 259.394 -0.389 20 0 CBADHO CC[NH+](CC)C[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC001253180718 825902451 /nfs/dbraw/zinc/90/24/51/825902451.db2.gz HYEYDEFOTBZADF-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001253202913 825904698 /nfs/dbraw/zinc/90/46/98/825904698.db2.gz CCXIWJOJESFVFF-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCCC(=O)NC1 ZINC001253208232 825905238 /nfs/dbraw/zinc/90/52/38/825905238.db2.gz OTHPDRVFVAQVOB-NEPJUHHUSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCCC(=O)NC1 ZINC001253208235 825905250 /nfs/dbraw/zinc/90/52/50/825905250.db2.gz OTHPDRVFVAQVOB-VXGBXAGGSA-N 1 3 257.378 -0.053 20 0 CBADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001253210838 825907056 /nfs/dbraw/zinc/90/70/56/825907056.db2.gz PDNVBJYVVOOMIG-CHWSQXEVSA-N 1 3 257.378 -0.101 20 0 CBADHO CN1CCN(CCNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253405559 825913398 /nfs/dbraw/zinc/91/33/98/825913398.db2.gz GMMNCFIVPUZHTL-ZDUSSCGKSA-N 1 3 272.437 -0.428 20 0 CBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CN[C@H]2CCS(=O)(=O)C2)O1 ZINC001254320238 825950817 /nfs/dbraw/zinc/95/08/17/825950817.db2.gz NVVFGRLCOWKWBI-IRCOFANPSA-N 1 3 292.401 -0.512 20 0 CBADHO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC001254511242 825966035 /nfs/dbraw/zinc/96/60/35/825966035.db2.gz XKTIEBBPKBJFOA-WDEREUQCSA-N 1 3 271.361 -0.262 20 0 CBADHO OCC(CO)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676243 826029661 /nfs/dbraw/zinc/02/96/61/826029661.db2.gz AIGVLLYXUOGZDQ-UHFFFAOYSA-N 1 3 258.362 -0.427 20 0 CBADHO OC1(C[NH2+]C2CCC(N3CCOCC3)CC2)COC1 ZINC001256678038 826029783 /nfs/dbraw/zinc/02/97/83/826029783.db2.gz JYYDWMHAUHBVFO-UHFFFAOYSA-N 1 3 270.373 -0.019 20 0 CBADHO O[C@@H]1COC[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676431 826030248 /nfs/dbraw/zinc/03/02/48/826030248.db2.gz CUHWXMIGNRHAQP-NWINJMCUSA-N 1 3 270.373 -0.021 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)NCCN(C)CCOC ZINC001261376639 826508166 /nfs/dbraw/zinc/50/81/66/826508166.db2.gz UVRYHDRDPJXNGL-LLVKDONJSA-N 1 3 260.382 -0.138 20 0 CBADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC001261501679 826527404 /nfs/dbraw/zinc/52/74/04/826527404.db2.gz JRLFHPJZVRWYRL-ZDUSSCGKSA-N 1 3 268.405 -0.179 20 0 CBADHO N[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[C@H]1F ZINC001261644129 826554593 /nfs/dbraw/zinc/55/45/93/826554593.db2.gz PWPRNNSHZOZKMG-NXEZZACHSA-N 1 3 284.339 -0.472 20 0 CBADHO C[NH2+][C@@H](C)CCNS(=O)(=O)CCCN(C)C ZINC001261853529 826598454 /nfs/dbraw/zinc/59/84/54/826598454.db2.gz KKUBCRPNLIJACB-JTQLQIEISA-N 1 3 251.396 -0.145 20 0 CBADHO CC(=O)N1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001262195142 826657211 /nfs/dbraw/zinc/65/72/11/826657211.db2.gz PMSGMVGRYRZDNF-ZDUSSCGKSA-N 1 3 267.373 -0.081 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001262561697 826708442 /nfs/dbraw/zinc/70/84/42/826708442.db2.gz DZSOSFFVNQFQQR-ZDUSSCGKSA-N 1 3 273.421 -0.265 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263103252 826738383 /nfs/dbraw/zinc/73/83/83/826738383.db2.gz UELMWRLHENTIAG-HIFRSBDPSA-N 1 3 298.431 -0.757 20 0 CBADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001263156162 826745357 /nfs/dbraw/zinc/74/53/57/826745357.db2.gz OBUATKDOHNDHHO-LPEHRKFASA-N 1 3 253.346 -0.393 20 0 CBADHO C[NH2+]CCOCCN(C)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001263166590 826747334 /nfs/dbraw/zinc/74/73/34/826747334.db2.gz LRGFKOYINAIVMV-LLVKDONJSA-N 1 3 295.387 -0.015 20 0 CBADHO O=C(C[C@H]1COCCN1)NCCCCCN1CC[NH2+]CC1 ZINC001263207981 826754154 /nfs/dbraw/zinc/75/41/54/826754154.db2.gz XJFFJKLKYMHFCI-AWEZNQCLSA-N 1 3 298.431 -0.443 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001263239927 826757507 /nfs/dbraw/zinc/75/75/07/826757507.db2.gz YTLQJRCMRDELQV-BDAKNGLRSA-N 1 3 257.334 -0.619 20 0 CBADHO CCN(CC)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001263879839 826787055 /nfs/dbraw/zinc/78/70/55/826787055.db2.gz VPGANHDDZGGMMF-CYBMUJFWSA-N 1 3 257.378 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001263879589 826787362 /nfs/dbraw/zinc/78/73/62/826787362.db2.gz NYCHEXHTNREDLD-CYBMUJFWSA-N 1 3 257.378 -0.148 20 0 CBADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@H](C)C(N)=O ZINC001265145870 826852124 /nfs/dbraw/zinc/85/21/24/826852124.db2.gz CZHWOJXFPXVLGX-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@H](C)C(N)=O ZINC001265145870 826852139 /nfs/dbraw/zinc/85/21/39/826852139.db2.gz CZHWOJXFPXVLGX-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001265481604 826898915 /nfs/dbraw/zinc/89/89/15/826898915.db2.gz PFUWTKZEMHWECQ-MGCOHNPYSA-N 1 3 268.361 -0.807 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001265816561 826923113 /nfs/dbraw/zinc/92/31/13/826923113.db2.gz XWSHXGYBWZYTJN-JTQLQIEISA-N 1 3 258.366 -0.832 20 0 CBADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N[C@@H]1CCNC1=O ZINC001265851497 826928560 /nfs/dbraw/zinc/92/85/60/826928560.db2.gz OOFPEOMHRKPAQY-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](O)CN(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266275168 826968926 /nfs/dbraw/zinc/96/89/26/826968926.db2.gz PIFMHBHKZLBOEH-DGCLKSJQSA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H](O)C[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001266326679 826983065 /nfs/dbraw/zinc/98/30/65/826983065.db2.gz HGJURABSTFNHMI-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO C[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001266326679 826983072 /nfs/dbraw/zinc/98/30/72/826983072.db2.gz HGJURABSTFNHMI-NWDGAFQWSA-N 1 3 257.378 -0.243 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001266535272 827016877 /nfs/dbraw/zinc/01/68/77/827016877.db2.gz WVAJZDQJMGRSTP-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO CN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCCN1C ZINC001266660444 827042517 /nfs/dbraw/zinc/04/25/17/827042517.db2.gz OQKNUQAMKKIQCN-LBPRGKRZSA-N 1 3 280.376 -0.580 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266815530 827069897 /nfs/dbraw/zinc/06/98/97/827069897.db2.gz WGWFBAJJURCAMZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266815530 827069914 /nfs/dbraw/zinc/06/99/14/827069914.db2.gz WGWFBAJJURCAMZ-STQMWFEESA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001266827404 827071963 /nfs/dbraw/zinc/07/19/63/827071963.db2.gz VUFZEJRAOAGTTJ-UHFFFAOYSA-N 1 3 298.431 -0.146 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001266902391 827079141 /nfs/dbraw/zinc/07/91/41/827079141.db2.gz UJVNNDZSASAFGX-LBELIVKGSA-N 1 3 269.389 -0.246 20 0 CBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21)N(C)C ZINC001266902391 827079149 /nfs/dbraw/zinc/07/91/49/827079149.db2.gz UJVNNDZSASAFGX-LBELIVKGSA-N 1 3 269.389 -0.246 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)C(N)=O ZINC001266968010 827100270 /nfs/dbraw/zinc/10/02/70/827100270.db2.gz RQZYBJJEARQTGG-VHSXEESVSA-N 1 3 258.366 -0.704 20 0 CBADHO COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001267355725 827156588 /nfs/dbraw/zinc/15/65/88/827156588.db2.gz ZCLUQMMPYBMXHH-VXGBXAGGSA-N 1 3 273.377 -0.864 20 0 CBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001267391003 827163617 /nfs/dbraw/zinc/16/36/17/827163617.db2.gz YQNFMRDQIXWQLX-VHSXEESVSA-N 1 3 258.366 -0.752 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267455966 827174326 /nfs/dbraw/zinc/17/43/26/827174326.db2.gz INLBOBUBFRSITL-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCN(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267455966 827174329 /nfs/dbraw/zinc/17/43/29/827174329.db2.gz INLBOBUBFRSITL-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CCNCC(=O)NCC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470590 827175699 /nfs/dbraw/zinc/17/56/99/827175699.db2.gz XYYDDVTYUIBWNJ-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CN(CCNCC(=O)NCC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267470590 827175703 /nfs/dbraw/zinc/17/57/03/827175703.db2.gz XYYDDVTYUIBWNJ-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC1CN(CCCO)C1 ZINC001267696562 827200819 /nfs/dbraw/zinc/20/08/19/827200819.db2.gz VFFMFZAMJQZXRU-UHFFFAOYSA-N 1 3 257.378 -0.241 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC1CN(CCCO)C1 ZINC001267696562 827200824 /nfs/dbraw/zinc/20/08/24/827200824.db2.gz VFFMFZAMJQZXRU-UHFFFAOYSA-N 1 3 257.378 -0.241 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584265 827371513 /nfs/dbraw/zinc/37/15/13/827371513.db2.gz XXVPNBFHXFDAEZ-VTYAVTIVSA-N 1 3 296.415 -0.148 20 0 CBADHO C[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268584265 827371523 /nfs/dbraw/zinc/37/15/23/827371523.db2.gz XXVPNBFHXFDAEZ-VTYAVTIVSA-N 1 3 296.415 -0.148 20 0 CBADHO C[C@H](NC/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001268595066 827376115 /nfs/dbraw/zinc/37/61/15/827376115.db2.gz GTLZPMVIKTYNKS-PCAWENJQSA-N 1 3 296.415 -0.146 20 0 CBADHO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001268811284 827424895 /nfs/dbraw/zinc/42/48/95/827424895.db2.gz MYOJLODNOZLXRQ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268847231 827430348 /nfs/dbraw/zinc/43/03/48/827430348.db2.gz FZWGCLAGFOEJNE-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C(=O)N1CC2(CN(CCn3ccnc3)C2)C1)[NH+](C)C ZINC001271147366 827630392 /nfs/dbraw/zinc/63/03/92/827630392.db2.gz MGYUGDBIZYZRKO-ZDUSSCGKSA-N 1 3 291.399 -0.023 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001271493710 827705539 /nfs/dbraw/zinc/70/55/39/827705539.db2.gz CXLBCRJCNKREBG-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001273374188 827896974 /nfs/dbraw/zinc/89/69/74/827896974.db2.gz HEMQGXZXCJHUCA-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001273374188 827896982 /nfs/dbraw/zinc/89/69/82/827896982.db2.gz HEMQGXZXCJHUCA-LBPRGKRZSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)CN1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273699364 827919701 /nfs/dbraw/zinc/91/97/01/827919701.db2.gz LJCKFJOCISWRPF-HNNXBMFYSA-N 1 3 296.415 -0.392 20 0 CBADHO C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047652 827956421 /nfs/dbraw/zinc/95/64/21/827956421.db2.gz SBIOOAFNASIYJC-GXTWGEPZSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274047652 827956429 /nfs/dbraw/zinc/95/64/29/827956429.db2.gz SBIOOAFNASIYJC-GXTWGEPZSA-N 1 3 269.389 -0.147 20 0 CBADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H]1CCNC1=O)[NH+](C)C ZINC001274339525 827984141 /nfs/dbraw/zinc/98/41/41/827984141.db2.gz OCIFMZYHGLYZFL-AGFGORMFSA-N 1 3 296.415 -0.277 20 0 CBADHO COC[C@@H](O)CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274643447 828016796 /nfs/dbraw/zinc/01/67/96/828016796.db2.gz QFDROZCLZYTZGA-ZFWWWQNUSA-N 1 3 299.415 -0.378 20 0 CBADHO CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(C)CC3)[C@@H]2C1 ZINC001275047259 828052030 /nfs/dbraw/zinc/05/20/30/828052030.db2.gz RZNUBROYJUQPOI-CHWSQXEVSA-N 1 3 280.416 -0.310 20 0 CBADHO CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(C)CC3)[C@@H]2C1 ZINC001275047259 828052041 /nfs/dbraw/zinc/05/20/41/828052041.db2.gz RZNUBROYJUQPOI-CHWSQXEVSA-N 1 3 280.416 -0.310 20 0 CBADHO CN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001275047457 828052678 /nfs/dbraw/zinc/05/26/78/828052678.db2.gz UJUBYRHBHOGSFA-AWEZNQCLSA-N 1 3 268.405 -0.166 20 0 CBADHO CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001276047698 828132408 /nfs/dbraw/zinc/13/24/08/828132408.db2.gz FCYMDLYVTYBBSK-CYBMUJFWSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C(=O)CCN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277637405 828199754 /nfs/dbraw/zinc/19/97/54/828199754.db2.gz WTHLWXGGNGIBIJ-KBPBESRZSA-N 1 3 298.431 -0.589 20 0 CBADHO Cn1cncc1N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277769805 828207981 /nfs/dbraw/zinc/20/79/81/828207981.db2.gz UWKOFSZMTZAJSC-OLZOCXBDSA-N 1 3 279.388 -0.129 20 0 CBADHO C[C@H](O)CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277961034 828223571 /nfs/dbraw/zinc/22/35/71/828223571.db2.gz PZJDDUXAZNFNES-AVGNSLFASA-N 1 3 257.378 -0.686 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCO)N(C)C ZINC001277982932 828226370 /nfs/dbraw/zinc/22/63/70/828226370.db2.gz YVENQGGONAFRBI-RYUDHWBXSA-N 1 3 257.378 -0.101 20 0 CBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCO)N(C)C ZINC001277982930 828226968 /nfs/dbraw/zinc/22/69/68/828226968.db2.gz YVENQGGONAFRBI-NEPJUHHUSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001278012288 828230889 /nfs/dbraw/zinc/23/08/89/828230889.db2.gz AMNMBGYWYIRVLA-UHFFFAOYSA-N 1 3 268.405 -0.308 20 0 CBADHO CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCN1C(C)C ZINC001278077310 828242468 /nfs/dbraw/zinc/24/24/68/828242468.db2.gz IFWIYAYRYQOYGZ-NWDGAFQWSA-N 1 3 257.378 -0.054 20 0 CBADHO CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001278804307 828292007 /nfs/dbraw/zinc/29/20/07/828292007.db2.gz PZCBNIMAYAXBNZ-NEPJUHHUSA-N 1 3 257.378 -0.243 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001347181865 890426880 /nfs/dbraw/zinc/42/68/80/890426880.db2.gz OXBQKCJRJVHGJS-MDZLAQPJSA-N 1 3 253.346 -0.567 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001349022613 890748035 /nfs/dbraw/zinc/74/80/35/890748035.db2.gz FHNMMFNXVZGQBU-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001349022613 890748041 /nfs/dbraw/zinc/74/80/41/890748041.db2.gz FHNMMFNXVZGQBU-GFCCVEGCSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc(=O)[nH]c1 ZINC001191191210 884728484 /nfs/dbraw/zinc/72/84/84/884728484.db2.gz UIONXXJBXURAJQ-UHFFFAOYSA-N 1 3 280.332 -0.140 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001210788636 884765951 /nfs/dbraw/zinc/76/59/51/884765951.db2.gz HAFDMLBVEZQBCH-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NCC(=O)N1CCNCC1 ZINC001326310943 884986092 /nfs/dbraw/zinc/98/60/92/884986092.db2.gz MGNFOIBXKIBXLF-LLVKDONJSA-N 1 3 254.378 -0.604 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001326439067 885026927 /nfs/dbraw/zinc/02/69/27/885026927.db2.gz USKMMHYZRZWTSW-LBPRGKRZSA-N 1 3 284.404 -0.360 20 0 CBADHO [NH3+]CCCOC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC001328235773 885610268 /nfs/dbraw/zinc/61/02/68/885610268.db2.gz ICRUAUNRVCOWGS-ZDUSSCGKSA-N 1 3 285.388 -0.279 20 0 CBADHO c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@@H]1CNCCO1 ZINC001329244863 885978836 /nfs/dbraw/zinc/97/88/36/885978836.db2.gz FUCUWHBZUKKGBD-JQWIXIFHSA-N 1 3 251.334 -0.582 20 0 CBADHO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H]2CNC(=O)C2)C1 ZINC001331791244 886985829 /nfs/dbraw/zinc/98/58/29/886985829.db2.gz MIUCLANEVZUIJN-AAEUAGOBSA-N 1 3 255.362 -0.489 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001332333493 887207377 /nfs/dbraw/zinc/20/73/77/887207377.db2.gz CBUFNOLOXZGZDF-DGORSVRFSA-N 1 3 253.346 -0.563 20 0 CBADHO CCN1CCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001336736298 888860496 /nfs/dbraw/zinc/86/04/96/888860496.db2.gz LTDAZIKEPPCBFC-AWEZNQCLSA-N 1 3 285.432 -0.121 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNCCC(=O)NC(N)=O)C1 ZINC001336738785 888863599 /nfs/dbraw/zinc/86/35/99/888863599.db2.gz FIADEWMVSZWNEY-JTQLQIEISA-N 1 3 256.350 -0.109 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNCCC(=O)NC(N)=O)C1 ZINC001336738785 888863614 /nfs/dbraw/zinc/86/36/14/888863614.db2.gz FIADEWMVSZWNEY-JTQLQIEISA-N 1 3 256.350 -0.109 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@H]1Cc2cncn2C1)C1CC1 ZINC001338549394 889172423 /nfs/dbraw/zinc/17/24/23/889172423.db2.gz IHJZACMQQDNSQU-GXFFZTMASA-N 1 3 250.346 -0.148 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@H]1Cc2cncn2C1)C1CC1 ZINC001338549394 889172430 /nfs/dbraw/zinc/17/24/30/889172430.db2.gz IHJZACMQQDNSQU-GXFFZTMASA-N 1 3 250.346 -0.148 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340298712 889419049 /nfs/dbraw/zinc/41/90/49/889419049.db2.gz XAEBDXXMLJWTKQ-GXTWGEPZSA-N 1 3 266.389 -0.508 20 0 CBADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001341370090 889582888 /nfs/dbraw/zinc/58/28/88/889582888.db2.gz VSDYGPHHRXQWOI-HOSYDEDBSA-N 1 3 251.330 -0.767 20 0 CBADHO C[C@H](NC1CC1)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341525131 889615869 /nfs/dbraw/zinc/61/58/69/889615869.db2.gz JANBOSIRNDSNBJ-UFBFGSQYSA-N 1 3 252.318 -0.878 20 0 CBADHO CC(C)C[C@@H]([NH3+])CC(=O)N1CCOC2(CNC2)C1 ZINC001342190222 889729354 /nfs/dbraw/zinc/72/93/54/889729354.db2.gz QGZJZFVCIXCHCN-LLVKDONJSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CCN1C ZINC001342649979 889811177 /nfs/dbraw/zinc/81/11/77/889811177.db2.gz QDCCAYNMGLEBCR-WOPDTQHZSA-N 1 3 267.373 -0.036 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N(C)CCC[NH+](C)C ZINC001342884559 889838510 /nfs/dbraw/zinc/83/85/10/889838510.db2.gz UNINISVAXGAESH-SNVBAGLBSA-N 1 3 259.350 -0.323 20 0 CBADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001444244016 912393773 /nfs/dbraw/zinc/39/37/73/912393773.db2.gz ZZLQKAJHXXGTFM-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001343486933 889919385 /nfs/dbraw/zinc/91/93/85/889919385.db2.gz ORWHGPRVZGAPAV-OCCSQVGLSA-N 1 3 266.389 -0.508 20 0 CBADHO CCN(C(=O)C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC001343730527 889960498 /nfs/dbraw/zinc/96/04/98/889960498.db2.gz CELNXPDYQIEQOQ-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001344519122 890037840 /nfs/dbraw/zinc/03/78/40/890037840.db2.gz SJXBIQBBCWOMMO-LOWDOPEQSA-N 1 3 269.389 -0.102 20 0 CBADHO COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001444691858 912490861 /nfs/dbraw/zinc/49/08/61/912490861.db2.gz RIKAKWIGENGAID-CMPLNLGQSA-N 1 3 284.360 -0.604 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC ZINC001444711914 912494519 /nfs/dbraw/zinc/49/45/19/912494519.db2.gz RWKOPCOJTMCVQC-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC ZINC001444711914 912494526 /nfs/dbraw/zinc/49/45/26/912494526.db2.gz RWKOPCOJTMCVQC-NSHDSACASA-N 1 3 272.393 -0.489 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444763067 912504852 /nfs/dbraw/zinc/50/48/52/912504852.db2.gz WHQRATQPUGRXEY-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444763067 912504864 /nfs/dbraw/zinc/50/48/64/912504864.db2.gz WHQRATQPUGRXEY-OLZOCXBDSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001345196774 890110838 /nfs/dbraw/zinc/11/08/38/890110838.db2.gz GEGNRLVJUARGJD-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO c1ncn([C@@H]2CCN(CCN3CC[NH2+]CC3)C2)n1 ZINC001346028408 890198955 /nfs/dbraw/zinc/19/89/55/890198955.db2.gz LZEJTHWYYJTBHU-GFCCVEGCSA-N 1 3 250.350 -0.570 20 0 CBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445301587 912628262 /nfs/dbraw/zinc/62/82/62/912628262.db2.gz AMWULAFQWUDGCC-DGCLKSJQSA-N 1 3 296.415 -0.360 20 0 CBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001445330080 912632234 /nfs/dbraw/zinc/63/22/34/912632234.db2.gz YCPHNJOPRBQQKM-GFCCVEGCSA-N 1 3 284.404 -0.393 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC001347156680 890417751 /nfs/dbraw/zinc/41/77/51/890417751.db2.gz ALLGFEMVIPUDHC-OLZOCXBDSA-N 1 3 284.404 -0.896 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001445430972 912666952 /nfs/dbraw/zinc/66/69/52/912666952.db2.gz CIQBLDZJQOSRDR-MNOVXSKESA-N 1 3 272.393 -0.443 20 0 CBADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445506440 912680170 /nfs/dbraw/zinc/68/01/70/912680170.db2.gz WZCAHCPFRFRJDH-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445506440 912680181 /nfs/dbraw/zinc/68/01/81/912680181.db2.gz WZCAHCPFRFRJDH-DGCLKSJQSA-N 1 3 279.388 -0.034 20 0 CBADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445869154 912777318 /nfs/dbraw/zinc/77/73/18/912777318.db2.gz MNUHWHFRNRWHMM-STQMWFEESA-N 1 3 294.403 -0.334 20 0 CBADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445869154 912777326 /nfs/dbraw/zinc/77/73/26/912777326.db2.gz MNUHWHFRNRWHMM-STQMWFEESA-N 1 3 294.403 -0.334 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001210810678 884765576 /nfs/dbraw/zinc/76/55/76/884765576.db2.gz CKOIEHINGFSTPD-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CCOC(=O)[C@H]1CNCCN1C[C@H]1CCCC[NH2+]1 ZINC001211354850 884771719 /nfs/dbraw/zinc/77/17/19/884771719.db2.gz RJURMPWDFMKNDQ-VXGBXAGGSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]CC[C@@H]1CCCCN1CC(=O)N1CCNCC1 ZINC001326311484 884985795 /nfs/dbraw/zinc/98/57/95/884985795.db2.gz ZWSAXYFZPLUFHJ-LBPRGKRZSA-N 1 3 254.378 -0.379 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001446458692 912888659 /nfs/dbraw/zinc/88/86/59/912888659.db2.gz GDYDTDDHLJZBMF-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001446458688 912889866 /nfs/dbraw/zinc/88/98/66/912889866.db2.gz GDYDTDDHLJZBMF-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001446459574 912891386 /nfs/dbraw/zinc/89/13/86/912891386.db2.gz YZBUGMPXQRCSQC-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO NC(=O)CCNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001326600302 885080765 /nfs/dbraw/zinc/08/07/65/885080765.db2.gz VKGLSHQUUVTLJQ-NEPJUHHUSA-N 1 3 255.362 -0.171 20 0 CBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC001326601752 885085253 /nfs/dbraw/zinc/08/52/53/885085253.db2.gz PCORYBVQQNRSEJ-ZDUSSCGKSA-N 1 3 298.431 -0.098 20 0 CBADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001327570081 885408032 /nfs/dbraw/zinc/40/80/32/885408032.db2.gz OBESZXKUOFHLPH-GXSJLCMTSA-N 1 3 266.349 -0.492 20 0 CBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC001327579394 885413505 /nfs/dbraw/zinc/41/35/05/885413505.db2.gz UKIKERUXNLYTFN-BDAKNGLRSA-N 1 3 265.317 -0.616 20 0 CBADHO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758166 912941391 /nfs/dbraw/zinc/94/13/91/912941391.db2.gz NEYGQVWMQJKUNB-OCCSQVGLSA-N 1 3 299.415 -0.596 20 0 CBADHO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446758166 912941404 /nfs/dbraw/zinc/94/14/04/912941404.db2.gz NEYGQVWMQJKUNB-OCCSQVGLSA-N 1 3 299.415 -0.596 20 0 CBADHO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001328073132 885564697 /nfs/dbraw/zinc/56/46/97/885564697.db2.gz UXBSQYPLZMDDCA-GHMZBOCLSA-N 1 3 253.346 -0.295 20 0 CBADHO c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@H]1CNCCO1 ZINC001329244861 885979221 /nfs/dbraw/zinc/97/92/21/885979221.db2.gz FUCUWHBZUKKGBD-CMPLNLGQSA-N 1 3 251.334 -0.582 20 0 CBADHO C[C@@H]1C[C@@H](C)N(CC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC001329498722 886096455 /nfs/dbraw/zinc/09/64/55/886096455.db2.gz HYQOTOMRIHKKEM-JHJVBQTASA-N 1 3 268.405 -0.277 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC001329838262 886232610 /nfs/dbraw/zinc/23/26/10/886232610.db2.gz OLCQNRJJJNQEIN-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001447196049 913035075 /nfs/dbraw/zinc/03/50/75/913035075.db2.gz GREMDRHLENRIFT-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001447196049 913035087 /nfs/dbraw/zinc/03/50/87/913035087.db2.gz GREMDRHLENRIFT-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO C[NH+]1CCC(N2CCC(NC(=O)CC(N)=O)CC2)CC1 ZINC001330336326 886419781 /nfs/dbraw/zinc/41/97/81/886419781.db2.gz FETWCAFICKUDKJ-UHFFFAOYSA-N 1 3 282.388 -0.463 20 0 CBADHO Cc1c(CN)c(NC(=O)[C@@]2(F)CC[NH2+]C2)nn1C ZINC001330595029 886492066 /nfs/dbraw/zinc/49/20/66/886492066.db2.gz QRTLSIMSJZMBIY-LLVKDONJSA-N 1 3 255.297 -0.173 20 0 CBADHO Cn1ncc(CN)c1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001330603259 886499488 /nfs/dbraw/zinc/49/94/88/886499488.db2.gz RVCAEIQIWUQIBU-SCZZXKLOSA-N 1 3 251.334 -0.264 20 0 CBADHO C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1=CCN(C)CC1 ZINC001330859106 886598269 /nfs/dbraw/zinc/59/82/69/886598269.db2.gz BCVSOJBTXDUQGO-WDEREUQCSA-N 1 3 282.388 -0.394 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331167626 886708773 /nfs/dbraw/zinc/70/87/73/886708773.db2.gz ONTWTOVKCYHRGX-JOCQHMNTSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(N)=O ZINC001331406936 886796991 /nfs/dbraw/zinc/79/69/91/886796991.db2.gz PICCISDWSISZES-ZJUUUORDSA-N 1 3 256.350 -0.998 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331616222 886867173 /nfs/dbraw/zinc/86/71/73/886867173.db2.gz AANQMSJSSMDWGI-AVGNSLFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001447624472 913101796 /nfs/dbraw/zinc/10/17/96/913101796.db2.gz SIAWHOAABVSMDW-CYBMUJFWSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001332027412 887087521 /nfs/dbraw/zinc/08/75/21/887087521.db2.gz MJTARAPFBLEJIC-ZJUUUORDSA-N 1 3 256.350 -0.998 20 0 CBADHO CN1CC[N@H+](C)CC(C(=O)NCCN2CC=CC2)C1 ZINC001332093043 887107971 /nfs/dbraw/zinc/10/79/71/887107971.db2.gz JSBSQLHCYLIHBV-UHFFFAOYSA-N 1 3 266.389 -0.532 20 0 CBADHO CN1CC[N@@H+](C)CC(C(=O)NCCN2CC=CC2)C1 ZINC001332093043 887107978 /nfs/dbraw/zinc/10/79/78/887107978.db2.gz JSBSQLHCYLIHBV-UHFFFAOYSA-N 1 3 266.389 -0.532 20 0 CBADHO CCO[C@H]1C[C@](N)(C(=O)NCC2C[NH2+]C2)C1(C)C ZINC001332178626 887143223 /nfs/dbraw/zinc/14/32/23/887143223.db2.gz FIXPOKPDVDNOOD-GWCFXTLKSA-N 1 3 255.362 -0.146 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC001332283078 887183191 /nfs/dbraw/zinc/18/31/91/887183191.db2.gz XZYWJKMFQKSVPV-GHMZBOCLSA-N 1 3 253.346 -0.519 20 0 CBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC001332333499 887207491 /nfs/dbraw/zinc/20/74/91/887207491.db2.gz CBUFNOLOXZGZDF-HTFCKZLJSA-N 1 3 253.346 -0.563 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC001332423542 887273379 /nfs/dbraw/zinc/27/33/79/887273379.db2.gz DVJBEABCTMHAPR-NEPJUHHUSA-N 1 3 254.378 -0.665 20 0 CBADHO CCN(C(=O)[C@@H](N)CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC001333274247 887578532 /nfs/dbraw/zinc/57/85/32/887578532.db2.gz ZRDOEOSWJCQART-UWVGGRQHSA-N 1 3 257.334 -0.523 20 0 CBADHO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001333404768 887623612 /nfs/dbraw/zinc/62/36/12/887623612.db2.gz ICQLPNAMJPYYCU-WZRBSPASSA-N 1 3 294.399 -0.394 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333448804 887645651 /nfs/dbraw/zinc/64/56/51/887645651.db2.gz RZMCGIFHIKIBEZ-HAQNSBGRSA-N 1 3 284.404 -0.362 20 0 CBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001333670099 887740626 /nfs/dbraw/zinc/74/06/26/887740626.db2.gz LMZJOIMAEGLTIJ-LMLFDSFASA-N 1 3 255.362 -0.147 20 0 CBADHO [NH3+]C[C@@H]1CC2(CO1)CCN([C@H]1CCNC1=O)CC2 ZINC001334336963 887925038 /nfs/dbraw/zinc/92/50/38/887925038.db2.gz FVSJBFUWCHMLLG-QWRGUYRKSA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCNCC1)C2 ZINC001334762024 888312932 /nfs/dbraw/zinc/31/29/32/888312932.db2.gz CWYVZBIUHFCRHQ-TUAOUCFPSA-N 1 3 252.362 -0.770 20 0 CBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001334824177 888339729 /nfs/dbraw/zinc/33/97/29/888339729.db2.gz SHTWWHXCRZIQIJ-WOPDTQHZSA-N 1 3 255.362 -0.321 20 0 CBADHO COC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001335190154 888438089 /nfs/dbraw/zinc/43/80/89/888438089.db2.gz IFKMUTHSGIFGLQ-NEPJUHHUSA-N 1 3 269.349 -0.619 20 0 CBADHO COC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001335190154 888438092 /nfs/dbraw/zinc/43/80/92/888438092.db2.gz IFKMUTHSGIFGLQ-NEPJUHHUSA-N 1 3 269.349 -0.619 20 0 CBADHO C[C@@]1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCNC1=O ZINC001335288626 888486109 /nfs/dbraw/zinc/48/61/09/888486109.db2.gz HOBOPUUYXGLFFK-GXFFZTMASA-N 1 3 268.361 -0.948 20 0 CBADHO C[C@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1nncn1C ZINC001335449703 888535906 /nfs/dbraw/zinc/53/59/06/888535906.db2.gz UNZYLTGOOJAVJX-PWSUYJOCSA-N 1 3 267.377 -0.037 20 0 CBADHO C[C@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1nncn1C ZINC001335449703 888535918 /nfs/dbraw/zinc/53/59/18/888535918.db2.gz UNZYLTGOOJAVJX-PWSUYJOCSA-N 1 3 267.377 -0.037 20 0 CBADHO CN1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC001335725516 888613609 /nfs/dbraw/zinc/61/36/09/888613609.db2.gz DXEVQZWHWFXRCA-NSHDSACASA-N 1 3 258.366 -0.567 20 0 CBADHO CC(C)[N@H+](C)CCCNC[C@H](O)CN1CCN(C)CC1 ZINC001335933143 888654147 /nfs/dbraw/zinc/65/41/47/888654147.db2.gz DTHUGYYCVPVIKG-HNNXBMFYSA-N 1 3 286.464 -0.085 20 0 CBADHO CC(C)[N@@H+](C)CCCNC[C@H](O)CN1CCN(C)CC1 ZINC001335933143 888654154 /nfs/dbraw/zinc/65/41/54/888654154.db2.gz DTHUGYYCVPVIKG-HNNXBMFYSA-N 1 3 286.464 -0.085 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(CN)cnn1C ZINC001336731639 888861494 /nfs/dbraw/zinc/86/14/94/888861494.db2.gz IYAAYMMNLGFHPK-WPRPVWTQSA-N 1 3 251.334 -0.251 20 0 CBADHO CC[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001336905763 888917096 /nfs/dbraw/zinc/91/70/96/888917096.db2.gz IXVZWJIBGFEFFH-CHWSQXEVSA-N 1 3 284.404 -0.164 20 0 CBADHO CC1(C)CN(C(=O)NC[C@H]2CNCCO2)C[C@@H]1[NH3+] ZINC001336923452 888923566 /nfs/dbraw/zinc/92/35/66/888923566.db2.gz PYAUPJJRHSFGEJ-ZJUUUORDSA-N 1 3 256.350 -0.647 20 0 CBADHO COCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(CCOC)C1 ZINC001336978001 888941545 /nfs/dbraw/zinc/94/15/45/888941545.db2.gz OGVKLAIIDBTALV-WDEREUQCSA-N 1 3 259.350 -0.813 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337529796 889031302 /nfs/dbraw/zinc/03/13/02/889031302.db2.gz JREPUQRTNRKWGO-IJLUTSLNSA-N 1 3 282.388 -0.560 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001339716664 889313682 /nfs/dbraw/zinc/31/36/82/889313682.db2.gz WOSIMTWIGVHJAN-IVZWLZJFSA-N 1 3 257.334 -0.537 20 0 CBADHO C[C@H]1CN(CCN2CCNCC[NH2+]CC2)CCO1 ZINC001339933495 889347110 /nfs/dbraw/zinc/34/71/10/889347110.db2.gz OWARRKRVEABZII-ZDUSSCGKSA-N 1 3 256.394 -0.798 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001340041466 889369370 /nfs/dbraw/zinc/36/93/70/889369370.db2.gz KCVXLHOZIBXFBO-BZPMIXESSA-N 1 3 269.389 -0.053 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001340281711 889417489 /nfs/dbraw/zinc/41/74/89/889417489.db2.gz HXCXIXUNLHSDQW-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]CCNCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001340824518 889493436 /nfs/dbraw/zinc/49/34/36/889493436.db2.gz PVVCIZQALUHTKK-CYBMUJFWSA-N 1 3 262.357 -0.635 20 0 CBADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001340917157 889512749 /nfs/dbraw/zinc/51/27/49/889512749.db2.gz XWAAYEANQAGFTR-IJLUTSLNSA-N 1 3 257.378 -0.341 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cn(CC[NH3+])nn1 ZINC001341145661 889550308 /nfs/dbraw/zinc/55/03/08/889550308.db2.gz QSLRKBYECSQANL-GUBZILKMSA-N 1 3 266.349 -0.552 20 0 CBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1[NH2+]CC12CCCC2 ZINC001341294434 889571347 /nfs/dbraw/zinc/57/13/47/889571347.db2.gz YVCVIQANTTUBTK-MNOVXSKESA-N 1 3 253.346 -0.377 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001341370484 889583148 /nfs/dbraw/zinc/58/31/48/889583148.db2.gz YSYOEIMEZCLJCL-DCAQKATOSA-N 1 3 253.346 -0.378 20 0 CBADHO CC1(C)CCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC001341419714 889592379 /nfs/dbraw/zinc/59/23/79/889592379.db2.gz QXTMJSBZTNOFQU-SMDDNHRTSA-N 1 3 269.389 -0.053 20 0 CBADHO CC1(C)CCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC001341419713 889592942 /nfs/dbraw/zinc/59/29/42/889592942.db2.gz QXTMJSBZTNOFQU-RISCZKNCSA-N 1 3 269.389 -0.053 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341525126 889615555 /nfs/dbraw/zinc/61/55/55/889615555.db2.gz JANBOSIRNDSNBJ-PRHODGIISA-N 1 3 252.318 -0.878 20 0 CBADHO [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1=O ZINC001341587026 889628519 /nfs/dbraw/zinc/62/85/19/889628519.db2.gz SQDAZVSFWLDPCW-DGCLKSJQSA-N 1 3 294.399 -0.463 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC001341675382 889645556 /nfs/dbraw/zinc/64/55/56/889645556.db2.gz SFCUYUOWZDNDSP-AVGNSLFASA-N 1 3 268.405 -0.229 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC001341747436 889658376 /nfs/dbraw/zinc/65/83/76/889658376.db2.gz GOHYXWMUZZGHHK-OPRDCNLKSA-N 1 3 257.334 -0.524 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2CNCCN2C)CC[C@H]1C[NH3+] ZINC001341878771 889679059 /nfs/dbraw/zinc/67/90/59/889679059.db2.gz QOVUTPXKDXHXSF-GRYCIOLGSA-N 1 3 254.378 -0.667 20 0 CBADHO [NH3+]CCCSCCC(=O)NC[C@@H]1CNCCO1 ZINC001341942018 889686488 /nfs/dbraw/zinc/68/64/88/889686488.db2.gz CKGHBXSZMDLJHL-JTQLQIEISA-N 1 3 261.391 -0.437 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001341951780 889689371 /nfs/dbraw/zinc/68/93/71/889689371.db2.gz RVMZUFRZSISZKK-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C[NH3+])CC(O)C1 ZINC001342347803 889756499 /nfs/dbraw/zinc/75/64/99/889756499.db2.gz KBONWDNGRMQSIX-ATJQQHLPSA-N 1 3 267.373 -0.219 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC001342567348 889792434 /nfs/dbraw/zinc/79/24/34/889792434.db2.gz ANTLHHSRMHKWFR-OUAUKWLOSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCN1C ZINC001342571210 889796161 /nfs/dbraw/zinc/79/61/61/889796161.db2.gz VLVWOWVHKXTEQO-BYNQJWBRSA-N 1 3 267.373 -0.179 20 0 CBADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001342628219 889804049 /nfs/dbraw/zinc/80/40/49/889804049.db2.gz GJTWACTXYVLMOQ-BJDJZHNGSA-N 1 3 254.378 -0.513 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001342628247 889804767 /nfs/dbraw/zinc/80/47/67/889804767.db2.gz GJTWACTXYVLMOQ-YFKTTZPYSA-N 1 3 254.378 -0.513 20 0 CBADHO C[C@@]1(C(=O)N2CCC3(CC2)CNCCO3)CC[NH2+]C1 ZINC001342830006 889833020 /nfs/dbraw/zinc/83/30/20/889833020.db2.gz STXVXCXADPCJTK-CYBMUJFWSA-N 1 3 267.373 -0.033 20 0 CBADHO COCCNCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001342976569 889851480 /nfs/dbraw/zinc/85/14/80/889851480.db2.gz APHUYIJFZUFQLU-TZMCWYRMSA-N 1 3 263.341 -0.037 20 0 CBADHO COCC[NH2+]CC(=O)N1CCNC[C@H]1CCOC ZINC001342996507 889855438 /nfs/dbraw/zinc/85/54/38/889855438.db2.gz ZVHPCMSRRLHQEP-LLVKDONJSA-N 1 3 259.350 -0.941 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343052407 889862121 /nfs/dbraw/zinc/86/21/21/889862121.db2.gz BOJJBPXUTYLHGG-XNDJQWLSSA-N 1 3 268.361 -0.905 20 0 CBADHO [NH3+]CCN1CCC[C@@H](C(=O)NCCN2CCCCC2)C1=O ZINC001343356820 889894270 /nfs/dbraw/zinc/89/42/70/889894270.db2.gz UVOOEMRQFWHTTO-ZDUSSCGKSA-N 1 3 296.415 -0.214 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343484901 889919034 /nfs/dbraw/zinc/91/90/34/889919034.db2.gz BHVZVMCJFAKVCO-QJPTWQEYSA-N 1 3 282.388 -0.608 20 0 CBADHO C[NH2+]CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001343565818 889933024 /nfs/dbraw/zinc/93/30/24/889933024.db2.gz ANSCXMVECIATPO-RYUDHWBXSA-N 1 3 255.362 -0.347 20 0 CBADHO O=C([C@H]1[NH2+]CC12CCOCC2)N1CCN2CC[C@H]1C2 ZINC001343690034 889949810 /nfs/dbraw/zinc/94/98/10/889949810.db2.gz HZASEYJCWRUUOS-NWDGAFQWSA-N 1 3 265.357 -0.329 20 0 CBADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343713559 889952265 /nfs/dbraw/zinc/95/22/65/889952265.db2.gz GWKPLBPTGUKWNX-NEPJUHHUSA-N 1 3 254.378 -0.604 20 0 CBADHO O=C(C[C@@H]1NCc2ccccc21)NCC1(O)C[NH2+]C1 ZINC001343966183 889984378 /nfs/dbraw/zinc/98/43/78/889984378.db2.gz GAYCGBNWOFUVPB-LBPRGKRZSA-N 1 3 261.325 -0.329 20 0 CBADHO CN1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001344374751 890019928 /nfs/dbraw/zinc/01/99/28/890019928.db2.gz QEGZSDPWGNVRBX-NWDGAFQWSA-N 1 3 267.373 -0.035 20 0 CBADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001344846504 890072730 /nfs/dbraw/zinc/07/27/30/890072730.db2.gz NMXJORPOBNJJJZ-QEYWKRMJSA-N 1 3 254.334 -0.313 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CNC[C@H]2CCCO2)CC[N@@H+]1C ZINC001344875849 890076013 /nfs/dbraw/zinc/07/60/13/890076013.db2.gz BAOONUNFECWVGN-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](NC(=O)CNC[C@H]2CCCO2)CC[N@H+]1C ZINC001344875849 890076025 /nfs/dbraw/zinc/07/60/25/890076025.db2.gz BAOONUNFECWVGN-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@@H]1[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)CCN1C ZINC001344875849 890076034 /nfs/dbraw/zinc/07/60/34/890076034.db2.gz BAOONUNFECWVGN-IJLUTSLNSA-N 1 3 255.362 -0.036 20 0 CBADHO O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1CSCN1 ZINC001344920757 890080511 /nfs/dbraw/zinc/08/05/11/890080511.db2.gz SJYYNJWINJBYHV-LBPRGKRZSA-N 1 3 286.445 -0.159 20 0 CBADHO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCNCC2)C1 ZINC001346018691 890198834 /nfs/dbraw/zinc/19/88/34/890198834.db2.gz ZJFWFQSKBZQMEY-RYUDHWBXSA-N 1 3 254.378 -0.523 20 0 CBADHO COCCN1CC[C@H](NC(=O)NCC2([NH3+])CC2)C1 ZINC001346339071 890270270 /nfs/dbraw/zinc/27/02/70/890270270.db2.gz JGYNFWHKRASODJ-JTQLQIEISA-N 1 3 256.350 -0.502 20 0 CBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001348593693 890659017 /nfs/dbraw/zinc/65/90/17/890659017.db2.gz QJTBTBPMSWRBIJ-YPMHNXCESA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001448980977 913475943 /nfs/dbraw/zinc/47/59/43/913475943.db2.gz OIILRSMXTALDLY-MNOVXSKESA-N 1 3 270.377 -0.608 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001348838206 890708993 /nfs/dbraw/zinc/70/89/93/890708993.db2.gz YZQQHZSLGABGKC-MELADBBJSA-N 1 3 280.416 -0.262 20 0 CBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001349227835 890779575 /nfs/dbraw/zinc/77/95/75/890779575.db2.gz MGXKOCZAMARVMA-WDEREUQCSA-N 1 3 253.346 -0.377 20 0 CBADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001349608109 890848629 /nfs/dbraw/zinc/84/86/29/890848629.db2.gz IAFMXMKCBAKJHM-PCAWENJQSA-N 1 3 265.357 -0.257 20 0 CBADHO COCCNCC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001349916276 890912464 /nfs/dbraw/zinc/91/24/64/890912464.db2.gz IYLCWABXLMIPDY-SECBINFHSA-N 1 3 265.304 -0.417 20 0 CBADHO COCC[C@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001353061933 891352061 /nfs/dbraw/zinc/35/20/61/891352061.db2.gz BTQMBRIPTYLLLJ-NSHDSACASA-N 1 3 269.349 -0.253 20 0 CBADHO CCN1CCN(CC[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001353274120 891390257 /nfs/dbraw/zinc/39/02/57/891390257.db2.gz SNSQWSIJFLUVND-CYBMUJFWSA-N 1 3 271.405 -0.511 20 0 CBADHO CCN1CCN(CC[NH2+]CCC(=O)N(C)OC)CC1 ZINC001353276108 891392514 /nfs/dbraw/zinc/39/25/14/891392514.db2.gz YRSXNXZGVBVONL-UHFFFAOYSA-N 1 3 272.393 -0.377 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001353279704 891392741 /nfs/dbraw/zinc/39/27/41/891392741.db2.gz YTKSZLWBGNSKSN-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO [NH3+]CCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001353423972 891425075 /nfs/dbraw/zinc/42/50/75/891425075.db2.gz FWZKTWYDVOPSMY-QWHCGFSZSA-N 1 3 284.404 -0.034 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001353430407 891426051 /nfs/dbraw/zinc/42/60/51/891426051.db2.gz PSABMAMFUZGJOO-YPMHNXCESA-N 1 3 268.361 -0.488 20 0 CBADHO [NH3+]CCNCC(=O)N1CCC(CN2CCOCC2)CC1 ZINC001353482551 891432926 /nfs/dbraw/zinc/43/29/26/891432926.db2.gz MZVGBZBWYJWZLY-UHFFFAOYSA-N 1 3 284.404 -0.895 20 0 CBADHO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC001353518644 891440016 /nfs/dbraw/zinc/44/00/16/891440016.db2.gz SCSIDPMJXMSRQD-QWRGUYRKSA-N 1 3 268.361 -0.360 20 0 CBADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001354318471 891562028 /nfs/dbraw/zinc/56/20/28/891562028.db2.gz IAUSJBWZHDDXFY-UHTWSYAYSA-N 1 3 267.373 -0.049 20 0 CBADHO [NH3+]C1CCN(CCNC(=O)CCc2cnn[nH]2)CC1 ZINC001354771175 891615458 /nfs/dbraw/zinc/61/54/58/891615458.db2.gz QYVYMASLXNJBQQ-UHFFFAOYSA-N 1 3 266.349 -0.723 20 0 CBADHO CO[C@@H](CN)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001354770884 891616150 /nfs/dbraw/zinc/61/61/50/891616150.db2.gz JIDNQVIBSFMMMC-QYNIQEEDSA-N 1 3 255.240 -0.692 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001354892013 891628523 /nfs/dbraw/zinc/62/85/23/891628523.db2.gz FFCDJEITWNVHPT-LVEVGFFFSA-N 1 3 257.378 -0.200 20 0 CBADHO C[C@@]1(C(=O)NCCCCCN2CC[NH2+]CC2)CNCCO1 ZINC001354970539 891634389 /nfs/dbraw/zinc/63/43/89/891634389.db2.gz NISTWTCMCUUOEG-HNNXBMFYSA-N 1 3 298.431 -0.443 20 0 CBADHO CC1(C(=O)N2CCC3(CC2)CNCCO3)C[NH2+]C1 ZINC001355156337 891655934 /nfs/dbraw/zinc/65/59/34/891655934.db2.gz AKOINJHEYPANGZ-UHFFFAOYSA-N 1 3 253.346 -0.423 20 0 CBADHO [NH3+]C1(CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001356228494 891740810 /nfs/dbraw/zinc/74/08/10/891740810.db2.gz RYTGSXCGWFAXEO-VXGBXAGGSA-N 1 3 267.373 -0.075 20 0 CBADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C ZINC001356569207 891781334 /nfs/dbraw/zinc/78/13/34/891781334.db2.gz DAWMPJFTTQBEHZ-CHWSQXEVSA-N 1 3 258.410 -0.866 20 0 CBADHO O[C@H](C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)CN1CCCC1 ZINC001356609245 891783768 /nfs/dbraw/zinc/78/37/68/891783768.db2.gz IECJBAOFCBAAAU-KFWWJZLASA-N 1 3 283.416 -0.104 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)CNCC[NH3+])c2ccccc2O1 ZINC001357429409 891889661 /nfs/dbraw/zinc/88/96/61/891889661.db2.gz ZPMPKLXYTXSMMO-GFCCVEGCSA-N 1 3 292.383 -0.110 20 0 CBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC001357457414 891897635 /nfs/dbraw/zinc/89/76/35/891897635.db2.gz JEXURISTIXVKFE-KXUCPTDWSA-N 1 3 257.334 -0.524 20 0 CBADHO Cn1ncc(CN)c1C(=O)NCCC[NH2+]C1CC1 ZINC001357678745 891925961 /nfs/dbraw/zinc/92/59/61/891925961.db2.gz NNQZTGYCQBZUJY-UHFFFAOYSA-N 1 3 251.334 -0.249 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001357813164 891938313 /nfs/dbraw/zinc/93/83/13/891938313.db2.gz XYOLUZDFEIWMLT-NSHDSACASA-N 1 3 252.362 -0.898 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC001357801570 891938383 /nfs/dbraw/zinc/93/83/83/891938383.db2.gz JWCAWTVHIYZDQD-LBPRGKRZSA-N 1 3 254.378 -0.523 20 0 CBADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCOC2(CNC2)C1 ZINC001357910709 891943023 /nfs/dbraw/zinc/94/30/23/891943023.db2.gz QGZJZFVCIXCHCN-NSHDSACASA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCNC[C@@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC001357981436 891955015 /nfs/dbraw/zinc/95/50/15/891955015.db2.gz QGXWRRXVVUXLEA-LLVKDONJSA-N 1 3 254.378 -0.332 20 0 CBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001450384655 913689673 /nfs/dbraw/zinc/68/96/73/913689673.db2.gz WKPMBANJPHCWAG-LBPRGKRZSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001450384655 913689686 /nfs/dbraw/zinc/68/96/86/913689686.db2.gz WKPMBANJPHCWAG-LBPRGKRZSA-N 1 3 296.415 -0.395 20 0 CBADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001450635728 913724258 /nfs/dbraw/zinc/72/42/58/913724258.db2.gz SNCKUBIQTFQLPA-UHFFFAOYSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001363127799 893386812 /nfs/dbraw/zinc/38/68/12/893386812.db2.gz PEQHSXMJDMFGOL-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001363127799 893386830 /nfs/dbraw/zinc/38/68/30/893386830.db2.gz PEQHSXMJDMFGOL-KGLIPLIRSA-N 1 3 280.416 -0.071 20 0 CBADHO C[C@@H](N[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)C(N)=O ZINC001366070348 895181870 /nfs/dbraw/zinc/18/18/70/895181870.db2.gz WVUGDCWGZOTIJX-PWSUYJOCSA-N 1 3 294.399 -0.560 20 0 CBADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366090442 895188582 /nfs/dbraw/zinc/18/85/82/895188582.db2.gz NNKPFPQMKASWRT-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001366128763 895202477 /nfs/dbraw/zinc/20/24/77/895202477.db2.gz CCHIGDVXZIQPKL-JOCQHMNTSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001366158970 895208140 /nfs/dbraw/zinc/20/81/40/895208140.db2.gz IUWPDNNZDAOQGM-RNJOBUHISA-N 1 3 296.415 -0.158 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366158484 895208867 /nfs/dbraw/zinc/20/88/67/895208867.db2.gz VRLZBPXMTXTMPM-FVCCEPFGSA-N 1 3 298.431 -0.056 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366158491 895208907 /nfs/dbraw/zinc/20/89/07/895208907.db2.gz VRLZBPXMTXTMPM-WUHRBBMRSA-N 1 3 298.431 -0.056 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001366160194 895211784 /nfs/dbraw/zinc/21/17/84/895211784.db2.gz DELSMCRLQNIBIO-OUAUKWLOSA-N 1 3 270.377 -0.691 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001366165022 895212756 /nfs/dbraw/zinc/21/27/56/895212756.db2.gz ZCECHJDIBDVJQJ-WHOHXGKFSA-N 1 3 282.388 -0.548 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001366169280 895214974 /nfs/dbraw/zinc/21/49/74/895214974.db2.gz IRVRWEBVDRJVGR-TXEJJXNPSA-N 1 3 294.403 -0.106 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001366169280 895214992 /nfs/dbraw/zinc/21/49/92/895214992.db2.gz IRVRWEBVDRJVGR-TXEJJXNPSA-N 1 3 294.403 -0.106 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NCC(N)=O ZINC001366364063 895296222 /nfs/dbraw/zinc/29/62/22/895296222.db2.gz JPKCPIUQWHIVAG-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CC[C@H](N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001366394530 895308310 /nfs/dbraw/zinc/30/83/10/895308310.db2.gz VOTSNEPXYFEPHN-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[C@H](N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001366394530 895308322 /nfs/dbraw/zinc/30/83/22/895308322.db2.gz VOTSNEPXYFEPHN-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366392770 895311402 /nfs/dbraw/zinc/31/14/02/895311402.db2.gz XNQYRHKVJBTUNO-STQMWFEESA-N 1 3 296.415 -0.252 20 0 CBADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001366402515 895313562 /nfs/dbraw/zinc/31/35/62/895313562.db2.gz ALPQXNPEOOUQGV-JQWIXIFHSA-N 1 3 293.371 -0.346 20 0 CBADHO O=C(NCCN(CCO)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366746955 895448721 /nfs/dbraw/zinc/44/87/21/895448721.db2.gz SPPCLWNKIGJKIJ-CQSZACIVSA-N 1 3 281.400 -0.099 20 0 CBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001366775348 895458486 /nfs/dbraw/zinc/45/84/86/895458486.db2.gz MKEYICMRGTYUOI-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001366780753 895459962 /nfs/dbraw/zinc/45/99/62/895459962.db2.gz WULVCHLZXIGEAB-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001366780753 895459971 /nfs/dbraw/zinc/45/99/71/895459971.db2.gz WULVCHLZXIGEAB-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001366777806 895460282 /nfs/dbraw/zinc/46/02/82/895460282.db2.gz SJDWZNCPSZUSIG-NSHDSACASA-N 1 3 284.404 -0.360 20 0 CBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001366782155 895460358 /nfs/dbraw/zinc/46/03/58/895460358.db2.gz ZOKUXUMEAZTWRZ-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001366814520 895463235 /nfs/dbraw/zinc/46/32/35/895463235.db2.gz ISASJQNXNNGUST-LBPRGKRZSA-N 1 3 296.415 -0.073 20 0 CBADHO CNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001366832860 895466327 /nfs/dbraw/zinc/46/63/27/895466327.db2.gz HXJBNWHVAAANJY-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(N)=O ZINC001367115665 895568357 /nfs/dbraw/zinc/56/83/57/895568357.db2.gz PYGLLVYFNHGFPF-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(N)=O ZINC001367126846 895571404 /nfs/dbraw/zinc/57/14/04/895571404.db2.gz VXCJJHVOFDGTFZ-JTQLQIEISA-N 1 3 270.377 -0.702 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001367221690 895584819 /nfs/dbraw/zinc/58/48/19/895584819.db2.gz VRQGGFGQIJTKTG-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)N(C)C ZINC001367270541 895602824 /nfs/dbraw/zinc/60/28/24/895602824.db2.gz QIKBEYKBYZXHAL-CMPLNLGQSA-N 1 3 272.393 -0.600 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001367381676 895630413 /nfs/dbraw/zinc/63/04/13/895630413.db2.gz ZSWXTNITCDOSKR-MNOVXSKESA-N 1 3 272.393 -0.491 20 0 CBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001367425585 895635085 /nfs/dbraw/zinc/63/50/85/895635085.db2.gz USYQYIQVPYVSRW-LBPRGKRZSA-N 1 3 296.415 -0.312 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001367465539 895639573 /nfs/dbraw/zinc/63/95/73/895639573.db2.gz NCRUEHILAFRCFK-IJLUTSLNSA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001367465539 895639578 /nfs/dbraw/zinc/63/95/78/895639578.db2.gz NCRUEHILAFRCFK-IJLUTSLNSA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001367465541 895639855 /nfs/dbraw/zinc/63/98/55/895639855.db2.gz NCRUEHILAFRCFK-UTUOFQBUSA-N 1 3 284.404 -0.458 20 0 CBADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001367465541 895639859 /nfs/dbraw/zinc/63/98/59/895639859.db2.gz NCRUEHILAFRCFK-UTUOFQBUSA-N 1 3 284.404 -0.458 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001367558096 895662464 /nfs/dbraw/zinc/66/24/64/895662464.db2.gz BRDUZPJNQRXYEP-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001367592020 895687819 /nfs/dbraw/zinc/68/78/19/895687819.db2.gz GDGZHZPCQLEKPV-STQMWFEESA-N 1 3 299.415 -0.426 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001367645038 895720190 /nfs/dbraw/zinc/72/01/90/895720190.db2.gz RPRUPTQWXIPNSW-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001367645055 895720913 /nfs/dbraw/zinc/72/09/13/895720913.db2.gz RPRUPTQWXIPNSW-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C1(C[NH+](C)C)CC1 ZINC001367649751 895723513 /nfs/dbraw/zinc/72/35/13/895723513.db2.gz SEWAYHBKGJCKJK-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1CCCN1C ZINC001367662940 895731775 /nfs/dbraw/zinc/73/17/75/895731775.db2.gz VBGFSZBKDKSEHU-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001367693379 895748118 /nfs/dbraw/zinc/74/81/18/895748118.db2.gz RQUOKEPBSUGETQ-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367694690 895751865 /nfs/dbraw/zinc/75/18/65/895751865.db2.gz CHXUXUWCGSCLCI-LLVKDONJSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367697963 895753744 /nfs/dbraw/zinc/75/37/44/895753744.db2.gz XNMSQETVPUNUMF-GFCCVEGCSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770824 895800209 /nfs/dbraw/zinc/80/02/09/895800209.db2.gz HOSGOIOUXQYFLA-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367926904 895853610 /nfs/dbraw/zinc/85/36/10/895853610.db2.gz WDAYDEKXSYTCRM-RYUDHWBXSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367926904 895853622 /nfs/dbraw/zinc/85/36/22/895853622.db2.gz WDAYDEKXSYTCRM-RYUDHWBXSA-N 1 3 282.388 -0.832 20 0 CBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368111329 895916421 /nfs/dbraw/zinc/91/64/21/895916421.db2.gz VRQGGFGQIJTKTG-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001368104032 895916879 /nfs/dbraw/zinc/91/68/79/895916879.db2.gz ALPKPXWDOPNHIN-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368277066 895958226 /nfs/dbraw/zinc/95/82/26/895958226.db2.gz ISGSOSZOEGVMNP-AWEZNQCLSA-N 1 3 287.404 -0.736 20 0 CBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368277066 895958228 /nfs/dbraw/zinc/95/82/28/895958228.db2.gz ISGSOSZOEGVMNP-AWEZNQCLSA-N 1 3 287.404 -0.736 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001368727283 896067153 /nfs/dbraw/zinc/06/71/53/896067153.db2.gz GFPIMWOOVNSZSZ-CYBMUJFWSA-N 1 3 287.404 -0.784 20 0 CBADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001369197192 896167365 /nfs/dbraw/zinc/16/73/65/896167365.db2.gz AJWZTOXWGLDTLB-LLVKDONJSA-N 1 3 295.387 -0.134 20 0 CBADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001369275216 896184252 /nfs/dbraw/zinc/18/42/52/896184252.db2.gz IUTZRTQMLAOCML-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369403182 896259720 /nfs/dbraw/zinc/25/97/20/896259720.db2.gz OTRVKBXHHBQGCW-RYUDHWBXSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001369451395 896273629 /nfs/dbraw/zinc/27/36/29/896273629.db2.gz XJZSRHKGLZVPJF-LBPRGKRZSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001370219912 896410777 /nfs/dbraw/zinc/41/07/77/896410777.db2.gz CLUWGTGTELALRG-AAEUAGOBSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)N(C)C ZINC001370264888 896413674 /nfs/dbraw/zinc/41/36/74/896413674.db2.gz LAJYCIWFHGCUPA-QWRGUYRKSA-N 1 3 270.377 -0.704 20 0 CBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)N(C)C ZINC001370264892 896414286 /nfs/dbraw/zinc/41/42/86/896414286.db2.gz LAJYCIWFHGCUPA-WDEREUQCSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001370394510 896422917 /nfs/dbraw/zinc/42/29/17/896422917.db2.gz ZFUFJSFVJHTGRP-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001370387586 896423793 /nfs/dbraw/zinc/42/37/93/896423793.db2.gz AMJDGYPJUBNQEB-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001370709803 896483637 /nfs/dbraw/zinc/48/36/37/896483637.db2.gz DSOKNHAILLANRG-YFKTTZPYSA-N 1 3 284.404 -0.302 20 0 CBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001370801814 896504151 /nfs/dbraw/zinc/50/41/51/896504151.db2.gz CXCWHIAXMLHNOS-JSGCOSHPSA-N 1 3 298.431 -0.114 20 0 CBADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001370826681 896509190 /nfs/dbraw/zinc/50/91/90/896509190.db2.gz CXCWHIAXMLHNOS-GXTWGEPZSA-N 1 3 298.431 -0.114 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001371341630 896595057 /nfs/dbraw/zinc/59/50/57/896595057.db2.gz CIGVAPRCRBNYNX-NWDGAFQWSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001372940701 896906415 /nfs/dbraw/zinc/90/64/15/896906415.db2.gz ZQRVNZGJLGAANH-QWRGUYRKSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001372938950 896909066 /nfs/dbraw/zinc/90/90/66/896909066.db2.gz IYKQPVHGBNAXKG-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001372938950 896909077 /nfs/dbraw/zinc/90/90/77/896909077.db2.gz IYKQPVHGBNAXKG-JHJVBQTASA-N 1 3 296.415 -0.395 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373612807 897068718 /nfs/dbraw/zinc/06/87/18/897068718.db2.gz AAJHKJZVKCYBKU-FRRDWIJNSA-N 1 3 285.388 -0.864 20 0 CBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373612807 897068728 /nfs/dbraw/zinc/06/87/28/897068728.db2.gz AAJHKJZVKCYBKU-FRRDWIJNSA-N 1 3 285.388 -0.864 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(N)=O ZINC001373821248 897129794 /nfs/dbraw/zinc/12/97/94/897129794.db2.gz MSBXOLOENRRBPS-MNOVXSKESA-N 1 3 282.388 -0.560 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001373861987 897132912 /nfs/dbraw/zinc/13/29/12/897132912.db2.gz QKOAWKDXLXIXHA-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001373861987 897132920 /nfs/dbraw/zinc/13/29/20/897132920.db2.gz QKOAWKDXLXIXHA-GFCCVEGCSA-N 1 3 296.415 -0.168 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001374278169 897200996 /nfs/dbraw/zinc/20/09/96/897200996.db2.gz GFFLZLGHJSVCSZ-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374310937 897212447 /nfs/dbraw/zinc/21/24/47/897212447.db2.gz FRHJHJNUCNMNIJ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374310937 897212461 /nfs/dbraw/zinc/21/24/61/897212461.db2.gz FRHJHJNUCNMNIJ-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374312100 897213568 /nfs/dbraw/zinc/21/35/68/897213568.db2.gz KLNKRKVKEOWYBY-NEPJUHHUSA-N 1 3 294.399 -0.593 20 0 CBADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001374442706 897228870 /nfs/dbraw/zinc/22/88/70/897228870.db2.gz FILWXWCIUMVFFN-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001374442706 897228888 /nfs/dbraw/zinc/22/88/88/897228888.db2.gz FILWXWCIUMVFFN-VXGBXAGGSA-N 1 3 284.404 -0.456 20 0 CBADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001374456807 897229333 /nfs/dbraw/zinc/22/93/33/897229333.db2.gz WJBGNZRIUNESFO-GFCCVEGCSA-N 1 3 286.420 -0.197 20 0 CBADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001374519498 897248588 /nfs/dbraw/zinc/24/85/88/897248588.db2.gz GLJMCOYQBUPXOW-QWHCGFSZSA-N 1 3 287.404 -0.522 20 0 CBADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001374519498 897248600 /nfs/dbraw/zinc/24/86/00/897248600.db2.gz GLJMCOYQBUPXOW-QWHCGFSZSA-N 1 3 287.404 -0.522 20 0 CBADHO CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C)C(N)=O ZINC001374709377 897355012 /nfs/dbraw/zinc/35/50/12/897355012.db2.gz HTGCSGIHLFYKNZ-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374833449 897406323 /nfs/dbraw/zinc/40/63/23/897406323.db2.gz NXQHPMXLMGZOSS-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374833449 897406330 /nfs/dbraw/zinc/40/63/30/897406330.db2.gz NXQHPMXLMGZOSS-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374833450 897408231 /nfs/dbraw/zinc/40/82/31/897408231.db2.gz NXQHPMXLMGZOSS-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374833450 897408236 /nfs/dbraw/zinc/40/82/36/897408236.db2.gz NXQHPMXLMGZOSS-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374961926 897443986 /nfs/dbraw/zinc/44/39/86/897443986.db2.gz NXQHPMXLMGZOSS-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374961926 897443997 /nfs/dbraw/zinc/44/39/97/897443997.db2.gz NXQHPMXLMGZOSS-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)N(C)C ZINC001375255281 897501942 /nfs/dbraw/zinc/50/19/42/897501942.db2.gz LSHOBHNAFVCXPQ-WCQYABFASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001375503060 897555839 /nfs/dbraw/zinc/55/58/39/897555839.db2.gz WDAPDYAVGCFWAD-FRRDWIJNSA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1)N(C)C ZINC001375515846 897558995 /nfs/dbraw/zinc/55/89/95/897558995.db2.gz XJXBLMVFJSNEPA-RVMXOQNASA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375558694 897567210 /nfs/dbraw/zinc/56/72/10/897567210.db2.gz HGDHAVFDEIGIOA-FDYHWXHSSA-N 1 3 296.415 -0.171 20 0 CBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001375557703 897567518 /nfs/dbraw/zinc/56/75/18/897567518.db2.gz BSLCFOAPIINQFP-JOCQHMNTSA-N 1 3 298.431 -0.053 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001375637766 897577810 /nfs/dbraw/zinc/57/78/10/897577810.db2.gz XEYFHDGCUSDPMD-KBPBESRZSA-N 1 3 299.415 -0.642 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001375637769 897578368 /nfs/dbraw/zinc/57/83/68/897578368.db2.gz XEYFHDGCUSDPMD-ZIAGYGMSSA-N 1 3 299.415 -0.642 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001375769269 897607090 /nfs/dbraw/zinc/60/70/90/897607090.db2.gz XPRSKYWHJNPCKI-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001375769269 897607100 /nfs/dbraw/zinc/60/71/00/897607100.db2.gz XPRSKYWHJNPCKI-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376331503 897712462 /nfs/dbraw/zinc/71/24/62/897712462.db2.gz OJWVAXVFYJOHAJ-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001376331503 897712471 /nfs/dbraw/zinc/71/24/71/897712471.db2.gz OJWVAXVFYJOHAJ-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376334916 897712852 /nfs/dbraw/zinc/71/28/52/897712852.db2.gz BFIHCTXDWLXBGL-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376334916 897712863 /nfs/dbraw/zinc/71/28/63/897712863.db2.gz BFIHCTXDWLXBGL-OLZOCXBDSA-N 1 3 296.415 -0.393 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376340028 897713416 /nfs/dbraw/zinc/71/34/16/897713416.db2.gz ZANFFHVWCGZEGR-LBPRGKRZSA-N 1 3 294.399 -0.591 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376385313 897723001 /nfs/dbraw/zinc/72/30/01/897723001.db2.gz AGFXIUGEYHLYFY-NQBHXWOUSA-N 1 3 284.404 -0.445 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001376373692 897724086 /nfs/dbraw/zinc/72/40/86/897724086.db2.gz IUWPDNNZDAOQGM-FDYHWXHSSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001376373695 897724503 /nfs/dbraw/zinc/72/45/03/897724503.db2.gz IUWPDNNZDAOQGM-ZDEQEGDKSA-N 1 3 296.415 -0.158 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001376398946 897726007 /nfs/dbraw/zinc/72/60/07/897726007.db2.gz HIEIEDHTZZFBBW-HAQNSBGRSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001376718627 897821996 /nfs/dbraw/zinc/82/19/96/897821996.db2.gz BCOJXCAETKZZRL-CMPLNLGQSA-N 1 3 282.388 -0.832 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376735101 897828641 /nfs/dbraw/zinc/82/86/41/897828641.db2.gz XEZAPWOJOGCASO-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376735101 897828646 /nfs/dbraw/zinc/82/86/46/897828646.db2.gz XEZAPWOJOGCASO-JHJVBQTASA-N 1 3 298.431 -0.055 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376743976 897831507 /nfs/dbraw/zinc/83/15/07/897831507.db2.gz HOLMCIJXXDKTPA-JTQLQIEISA-N 1 3 270.377 -0.689 20 0 CBADHO CNC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376743978 897832825 /nfs/dbraw/zinc/83/28/25/897832825.db2.gz HOLMCIJXXDKTPA-SNVBAGLBSA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001376853441 897870961 /nfs/dbraw/zinc/87/09/61/897870961.db2.gz WNZUOUIBHMRAOX-CHWSQXEVSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001376853906 897872343 /nfs/dbraw/zinc/87/23/43/897872343.db2.gz JKVPNEMTRCBKRR-WDEREUQCSA-N 1 3 282.388 -0.560 20 0 CBADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001376971167 897905193 /nfs/dbraw/zinc/90/51/93/897905193.db2.gz ZCQWFDUIAZEBRH-ZJUUUORDSA-N 1 3 279.344 -0.736 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377235213 897978838 /nfs/dbraw/zinc/97/88/38/897978838.db2.gz AHMIECHBSGMKOT-YNEHKIRRSA-N 1 3 296.415 -0.204 20 0 CBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001377266631 897993473 /nfs/dbraw/zinc/99/34/73/897993473.db2.gz OFKINYBFBZGSMC-STQMWFEESA-N 1 3 298.431 -0.149 20 0 CBADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377306951 898008915 /nfs/dbraw/zinc/00/89/15/898008915.db2.gz VBQZHRHZLLJQMD-UHFFFAOYSA-N 1 3 293.371 -0.331 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001377571770 898088817 /nfs/dbraw/zinc/08/88/17/898088817.db2.gz FISIOOKJZHIMSA-NEPJUHHUSA-N 1 3 286.420 -0.245 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001377575741 898090413 /nfs/dbraw/zinc/09/04/13/898090413.db2.gz JWTWEJZFFGBOOV-CHWSQXEVSA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001377571772 898091408 /nfs/dbraw/zinc/09/14/08/898091408.db2.gz FISIOOKJZHIMSA-RYUDHWBXSA-N 1 3 286.420 -0.245 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377589833 898096187 /nfs/dbraw/zinc/09/61/87/898096187.db2.gz CIWXYKSLZNGESV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377589833 898096198 /nfs/dbraw/zinc/09/61/98/898096198.db2.gz CIWXYKSLZNGESV-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377587764 898098101 /nfs/dbraw/zinc/09/81/01/898098101.db2.gz FISIOOKJZHIMSA-VXGBXAGGSA-N 1 3 286.420 -0.245 20 0 CBADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001377590117 898098593 /nfs/dbraw/zinc/09/85/93/898098593.db2.gz DHFKXSKZZOXZNM-ZDUSSCGKSA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001377599723 898102814 /nfs/dbraw/zinc/10/28/14/898102814.db2.gz HLJOTAJITBKPEF-NSHDSACASA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857891 898149174 /nfs/dbraw/zinc/14/91/74/898149174.db2.gz IVHGKFWSTMTVLA-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001377857888 898150218 /nfs/dbraw/zinc/15/02/18/898150218.db2.gz IVHGKFWSTMTVLA-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001378394269 898330400 /nfs/dbraw/zinc/33/04/00/898330400.db2.gz CJGCWGZNRWLEEU-IXPVHAAZSA-N 1 3 296.415 -0.314 20 0 CBADHO C[C@@H]1[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001378394269 898330416 /nfs/dbraw/zinc/33/04/16/898330416.db2.gz CJGCWGZNRWLEEU-IXPVHAAZSA-N 1 3 296.415 -0.314 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001378495069 898335769 /nfs/dbraw/zinc/33/57/69/898335769.db2.gz HMJLNLZCIJGLEC-IJLUTSLNSA-N 1 3 284.404 -0.219 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001378495072 898337582 /nfs/dbraw/zinc/33/75/82/898337582.db2.gz HMJLNLZCIJGLEC-QJPTWQEYSA-N 1 3 284.404 -0.219 20 0 CBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001378512309 898342097 /nfs/dbraw/zinc/34/20/97/898342097.db2.gz MMKBOWOFMIGPPW-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378818129 898416952 /nfs/dbraw/zinc/41/69/52/898416952.db2.gz ZQIFSGJMBPVZMG-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378844745 898422971 /nfs/dbraw/zinc/42/29/71/898422971.db2.gz QPCBJPUSBJVZGH-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001378906740 898431602 /nfs/dbraw/zinc/43/16/02/898431602.db2.gz WHZCPLYTBGSAMQ-LLVKDONJSA-N 1 3 284.404 -0.265 20 0 CBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)N(C)C ZINC001378995829 898442192 /nfs/dbraw/zinc/44/21/92/898442192.db2.gz GEOMSFXNOFEKKK-WDEREUQCSA-N 1 3 272.393 -0.458 20 0 CBADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001379037836 898451675 /nfs/dbraw/zinc/45/16/75/898451675.db2.gz WJRIQJUDVBRCPG-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001379285152 898535800 /nfs/dbraw/zinc/53/58/00/898535800.db2.gz NSXOHESBRNSZGP-GHMZBOCLSA-N 1 3 272.393 -0.362 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN1CCCC1 ZINC001379326038 898550535 /nfs/dbraw/zinc/55/05/35/898550535.db2.gz IDTPIKZJCMCKIR-LBPRGKRZSA-N 1 3 282.388 -0.591 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)CC[NH+](C)C ZINC001379329748 898553141 /nfs/dbraw/zinc/55/31/41/898553141.db2.gz ZAXSSULNKSLHRM-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001379415822 898606722 /nfs/dbraw/zinc/60/67/22/898606722.db2.gz FHFWSVWORQFCTJ-BXUZGUMPSA-N 1 3 298.431 -0.055 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001379514082 898651828 /nfs/dbraw/zinc/65/18/28/898651828.db2.gz DEVZRRQAFUHEAV-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)[C@H]1C ZINC001379565503 898668027 /nfs/dbraw/zinc/66/80/27/898668027.db2.gz GEESQMIWQZQEEB-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC)[C@H]1C ZINC001379565503 898668034 /nfs/dbraw/zinc/66/80/34/898668034.db2.gz GEESQMIWQZQEEB-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001379561706 898669581 /nfs/dbraw/zinc/66/95/81/898669581.db2.gz ZXQZYIRPTRUQQY-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379598290 898679557 /nfs/dbraw/zinc/67/95/57/898679557.db2.gz KRHKYXIQTWHYAD-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379598290 898679567 /nfs/dbraw/zinc/67/95/67/898679567.db2.gz KRHKYXIQTWHYAD-NWDGAFQWSA-N 1 3 284.404 -0.489 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380557639 898898614 /nfs/dbraw/zinc/89/86/14/898898614.db2.gz VLHVOVKBFUSCHV-HNNXBMFYSA-N 1 3 299.415 -0.472 20 0 CBADHO CN(C)C(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001380897394 898965991 /nfs/dbraw/zinc/96/59/91/898965991.db2.gz NXPFNCGDLLYLNH-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CN(C)C(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897394 898965994 /nfs/dbraw/zinc/96/59/94/898965994.db2.gz NXPFNCGDLLYLNH-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001381975893 899139426 /nfs/dbraw/zinc/13/94/26/899139426.db2.gz ZYQMWZFISGIXBA-FDYHWXHSSA-N 1 3 298.431 -0.069 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001382028296 899143015 /nfs/dbraw/zinc/14/30/15/899143015.db2.gz CEAREZGIBLXCDA-AAEUAGOBSA-N 1 3 296.415 -0.360 20 0 CBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110898 899157599 /nfs/dbraw/zinc/15/75/99/899157599.db2.gz GQDXABZKOOGVNY-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382110878 899156262 /nfs/dbraw/zinc/15/62/62/899156262.db2.gz GQDXABZKOOGVNY-GHMZBOCLSA-N 1 3 272.393 -0.491 20 0 CBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001382128715 899161482 /nfs/dbraw/zinc/16/14/82/899161482.db2.gz UIKCBJOCFRQMSA-RYUDHWBXSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001382284136 899235171 /nfs/dbraw/zinc/23/51/71/899235171.db2.gz ITNRLKKMJSFJBG-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001387034279 899747957 /nfs/dbraw/zinc/74/79/57/899747957.db2.gz ZCVBAVKZSOGOJW-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001387034279 899747962 /nfs/dbraw/zinc/74/79/62/899747962.db2.gz ZCVBAVKZSOGOJW-CYBMUJFWSA-N 1 3 298.431 -0.146 20 0 CBADHO CN(CCNC(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001387092771 899759780 /nfs/dbraw/zinc/75/97/80/899759780.db2.gz CSIUYZICEQFQDE-UHFFFAOYSA-N 1 3 281.360 -0.522 20 0 CBADHO CC[C@@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001387114614 899761549 /nfs/dbraw/zinc/76/15/49/899761549.db2.gz QCBSGIRHLAKWSV-LBPRGKRZSA-N 1 3 286.420 -0.147 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001389598868 900047286 /nfs/dbraw/zinc/04/72/86/900047286.db2.gz AHMDPEXTJFZUDF-YUSALJHKSA-N 1 3 282.388 -0.704 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC[N@H+]1C ZINC001389598868 900047298 /nfs/dbraw/zinc/04/72/98/900047298.db2.gz AHMDPEXTJFZUDF-YUSALJHKSA-N 1 3 282.388 -0.704 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001389954766 900097878 /nfs/dbraw/zinc/09/78/78/900097878.db2.gz FNCOZKHPFBLCKE-SCRDCRAPSA-N 1 3 299.415 -0.285 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001389997354 900103143 /nfs/dbraw/zinc/10/31/43/900103143.db2.gz DELSMCRLQNIBIO-AXFHLTTASA-N 1 3 270.377 -0.691 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001390391142 900150630 /nfs/dbraw/zinc/15/06/30/900150630.db2.gz ABLLKDAUYOPJHP-DGCLKSJQSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001390391142 900150640 /nfs/dbraw/zinc/15/06/40/900150640.db2.gz ABLLKDAUYOPJHP-DGCLKSJQSA-N 1 3 296.415 -0.027 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390433862 900158496 /nfs/dbraw/zinc/15/84/96/900158496.db2.gz OAHMYPLCVREMCF-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001390433862 900158506 /nfs/dbraw/zinc/15/85/06/900158506.db2.gz OAHMYPLCVREMCF-NEPJUHHUSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001390550159 900186209 /nfs/dbraw/zinc/18/62/09/900186209.db2.gz AOYLRSZFMBGTQS-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001390587095 900194182 /nfs/dbraw/zinc/19/41/82/900194182.db2.gz AYHFHZUDAMELRU-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)N(C)C ZINC001390710883 900213054 /nfs/dbraw/zinc/21/30/54/900213054.db2.gz HSCSXBRMQOOLCH-PWSUYJOCSA-N 1 3 272.393 -0.458 20 0 CBADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390711322 900216173 /nfs/dbraw/zinc/21/61/73/900216173.db2.gz IUSLEGCVCXFRJF-NWDGAFQWSA-N 1 3 284.404 -0.299 20 0 CBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001391206517 900333839 /nfs/dbraw/zinc/33/38/39/900333839.db2.gz INKDCPUXMHRSNQ-AAEUAGOBSA-N 1 3 296.415 -0.489 20 0 CBADHO C[C@H](NCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001391210100 900337841 /nfs/dbraw/zinc/33/78/41/900337841.db2.gz OUACPDWZFOFEEF-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391222924 900342827 /nfs/dbraw/zinc/34/28/27/900342827.db2.gz VGEQDDLSFYOORY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391222924 900342839 /nfs/dbraw/zinc/34/28/39/900342839.db2.gz VGEQDDLSFYOORY-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001391226458 900343790 /nfs/dbraw/zinc/34/37/90/900343790.db2.gz IOTRFVHKRQKVKA-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001391226458 900343804 /nfs/dbraw/zinc/34/38/04/900343804.db2.gz IOTRFVHKRQKVKA-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001391227901 900346891 /nfs/dbraw/zinc/34/68/91/900346891.db2.gz MZUSORPXNUJOPO-NSHDSACASA-N 1 3 282.388 -0.606 20 0 CBADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCNC1=O ZINC001391745561 900444723 /nfs/dbraw/zinc/44/47/23/900444723.db2.gz VWYKTRNVLUTBSA-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001391773281 900447016 /nfs/dbraw/zinc/44/70/16/900447016.db2.gz WZMXFJRXLORPPI-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001391773281 900447024 /nfs/dbraw/zinc/44/70/24/900447024.db2.gz WZMXFJRXLORPPI-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC[N@@H+]1C ZINC001391764964 900448048 /nfs/dbraw/zinc/44/80/48/900448048.db2.gz MLYFAKZQYOPSEN-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H]1[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC[N@H+]1C ZINC001391764964 900448052 /nfs/dbraw/zinc/44/80/52/900448052.db2.gz MLYFAKZQYOPSEN-VXGBXAGGSA-N 1 3 296.415 -0.170 20 0 CBADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001392134870 900521773 /nfs/dbraw/zinc/52/17/73/900521773.db2.gz PWIXVLVBZWBRJK-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001392233795 900535630 /nfs/dbraw/zinc/53/56/30/900535630.db2.gz OHGMRYPDWCTMHK-LLVKDONJSA-N 1 3 284.404 -0.314 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001456298673 914457863 /nfs/dbraw/zinc/45/78/63/914457863.db2.gz OXNQEKWVKTWJDE-GHMZBOCLSA-N 1 3 253.346 -0.473 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001456298673 914457874 /nfs/dbraw/zinc/45/78/74/914457874.db2.gz OXNQEKWVKTWJDE-GHMZBOCLSA-N 1 3 253.346 -0.473 20 0 CBADHO C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001392441691 900620070 /nfs/dbraw/zinc/62/00/70/900620070.db2.gz IBGVMNSYLDGYRE-GHMZBOCLSA-N 1 3 284.404 -0.171 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001392488396 900635084 /nfs/dbraw/zinc/63/50/84/900635084.db2.gz VGYURMWOOUVQQW-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392502584 900637860 /nfs/dbraw/zinc/63/78/60/900637860.db2.gz IMZRXLWEFGSBRG-GHMZBOCLSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392530270 900647863 /nfs/dbraw/zinc/64/78/63/900647863.db2.gz ONBFDWOBWLBZIF-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392530270 900647869 /nfs/dbraw/zinc/64/78/69/900647869.db2.gz ONBFDWOBWLBZIF-YPMHNXCESA-N 1 3 296.415 -0.441 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392536223 900650769 /nfs/dbraw/zinc/65/07/69/900650769.db2.gz HCCMPPGTIFJFGT-TZMCWYRMSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001392568776 900664846 /nfs/dbraw/zinc/66/48/46/900664846.db2.gz DJGOLXREFOAODR-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001392568776 900664849 /nfs/dbraw/zinc/66/48/49/900664849.db2.gz DJGOLXREFOAODR-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001392594424 900670019 /nfs/dbraw/zinc/67/00/19/900670019.db2.gz USWTYBIEFAGHOY-JTQLQIEISA-N 1 3 272.393 -0.456 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001392603199 900672992 /nfs/dbraw/zinc/67/29/92/900672992.db2.gz VSXSMHBSKZIOTD-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001392603199 900672999 /nfs/dbraw/zinc/67/29/99/900672999.db2.gz VSXSMHBSKZIOTD-WDEREUQCSA-N 1 3 272.393 -0.443 20 0 CBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001392610187 900678638 /nfs/dbraw/zinc/67/86/38/900678638.db2.gz JJGMZPZAEUJPOY-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001392796467 900728293 /nfs/dbraw/zinc/72/82/93/900728293.db2.gz DWYVFWARHSXXGO-CMPLNLGQSA-N 1 3 282.388 -0.702 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001392796467 900728301 /nfs/dbraw/zinc/72/83/01/900728301.db2.gz DWYVFWARHSXXGO-CMPLNLGQSA-N 1 3 282.388 -0.702 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001392797607 900728478 /nfs/dbraw/zinc/72/84/78/900728478.db2.gz FTOTZYNNJCTEKN-OLZOCXBDSA-N 1 3 296.415 -0.301 20 0 CBADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393058411 900785655 /nfs/dbraw/zinc/78/56/55/900785655.db2.gz YMGWTAOSUHNYBL-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393058411 900785664 /nfs/dbraw/zinc/78/56/64/900785664.db2.gz YMGWTAOSUHNYBL-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001393250431 900813695 /nfs/dbraw/zinc/81/36/95/900813695.db2.gz PLXDXQZPHAORPI-NFAWXSAZSA-N 1 3 299.415 -0.474 20 0 CBADHO COCCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001393250431 900813702 /nfs/dbraw/zinc/81/37/02/900813702.db2.gz PLXDXQZPHAORPI-NFAWXSAZSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393644799 900886832 /nfs/dbraw/zinc/88/68/32/900886832.db2.gz QBTDTMMXRJXRMF-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393644799 900886843 /nfs/dbraw/zinc/88/68/43/900886843.db2.gz QBTDTMMXRJXRMF-OLZOCXBDSA-N 1 3 298.431 -0.018 20 0 CBADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001393981918 900947901 /nfs/dbraw/zinc/94/79/01/900947901.db2.gz YFZOGRZIYCJTAK-GHMZBOCLSA-N 1 3 272.393 -0.443 20 0 CBADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001394004981 900949110 /nfs/dbraw/zinc/94/91/10/900949110.db2.gz URYHNPJPNTXNTF-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394453540 901027724 /nfs/dbraw/zinc/02/77/24/901027724.db2.gz QIDBTXQDOOSQIQ-NEPJUHHUSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394453540 901027733 /nfs/dbraw/zinc/02/77/33/901027733.db2.gz QIDBTXQDOOSQIQ-NEPJUHHUSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001394453547 901029090 /nfs/dbraw/zinc/02/90/90/901029090.db2.gz QIDBTXQDOOSQIQ-NWDGAFQWSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001394453547 901029101 /nfs/dbraw/zinc/02/91/01/901029101.db2.gz QIDBTXQDOOSQIQ-NWDGAFQWSA-N 1 3 282.388 -0.750 20 0 CBADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001394527629 901042202 /nfs/dbraw/zinc/04/22/02/901042202.db2.gz KIPCVMLJYOAXOA-STQMWFEESA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001394536829 901046263 /nfs/dbraw/zinc/04/62/63/901046263.db2.gz FMPJNOFHUAXSMU-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001394536829 901046274 /nfs/dbraw/zinc/04/62/74/901046274.db2.gz FMPJNOFHUAXSMU-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001394664341 901112246 /nfs/dbraw/zinc/11/22/46/901112246.db2.gz BLAVGKIMKJJKCD-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+](C)C ZINC001394670524 901117101 /nfs/dbraw/zinc/11/71/01/901117101.db2.gz OBRQOQWTFFXYJA-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394761265 901143733 /nfs/dbraw/zinc/14/37/33/901143733.db2.gz ZFXFSSUJVHXXQE-PWSUYJOCSA-N 1 3 284.360 -0.604 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)N(C)C ZINC001394780016 901153835 /nfs/dbraw/zinc/15/38/35/901153835.db2.gz CPSBWTPTLGNJIW-VXGBXAGGSA-N 1 3 275.393 -0.930 20 0 CBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)N(C)C ZINC001394780016 901153842 /nfs/dbraw/zinc/15/38/42/901153842.db2.gz CPSBWTPTLGNJIW-VXGBXAGGSA-N 1 3 275.393 -0.930 20 0 CBADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001394831999 901163589 /nfs/dbraw/zinc/16/35/89/901163589.db2.gz LPJSYRJJVYZVIB-MNOVXSKESA-N 1 3 286.420 -0.068 20 0 CBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001397739369 901450715 /nfs/dbraw/zinc/45/07/15/901450715.db2.gz ZIGUPAKCMMYIAK-FRRDWIJNSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1CCO ZINC001397797084 901458336 /nfs/dbraw/zinc/45/83/36/901458336.db2.gz AMXSPJJPDSAKIV-OCCSQVGLSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001397928732 901479951 /nfs/dbraw/zinc/47/99/51/901479951.db2.gz NQMRPLZMWKAYCY-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397928732 901479956 /nfs/dbraw/zinc/47/99/56/901479956.db2.gz NQMRPLZMWKAYCY-ZDUSSCGKSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001398534854 901550638 /nfs/dbraw/zinc/55/06/38/901550638.db2.gz HCZDELSEPAGUTO-GMTAPVOTSA-N 1 3 282.388 -0.419 20 0 CBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001398538200 901552942 /nfs/dbraw/zinc/55/29/42/901552942.db2.gz JWQRGDSNUCVZDB-IJLUTSLNSA-N 1 3 294.399 -0.404 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001398632285 901578481 /nfs/dbraw/zinc/57/84/81/901578481.db2.gz ZCECHJDIBDVJQJ-USZNOCQGSA-N 1 3 282.388 -0.548 20 0 CBADHO CN(C)C1(C(=O)N2CC(NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001398681605 901588236 /nfs/dbraw/zinc/58/82/36/901588236.db2.gz CTYFFPZUBVSPQU-UHFFFAOYSA-N 1 3 296.415 -0.251 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)N(C)C ZINC001398721173 901597207 /nfs/dbraw/zinc/59/72/07/901597207.db2.gz BRSNICHFXAGYBA-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001398763508 901604058 /nfs/dbraw/zinc/60/40/58/901604058.db2.gz OVFPDHMHNBJNJB-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(N)=O ZINC001398961987 901641780 /nfs/dbraw/zinc/64/17/80/901641780.db2.gz BQGOIWYQEGXXDQ-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001399037568 901654474 /nfs/dbraw/zinc/65/44/74/901654474.db2.gz SMCBUHAFDQOHFE-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001399037568 901654479 /nfs/dbraw/zinc/65/44/79/901654479.db2.gz SMCBUHAFDQOHFE-SRVKXCTJSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001399035963 901655087 /nfs/dbraw/zinc/65/50/87/901655087.db2.gz OOQUYBFSSDGLDI-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001399177571 901681614 /nfs/dbraw/zinc/68/16/14/901681614.db2.gz YURGNVBOSSFAGZ-JSGCOSHPSA-N 1 3 299.415 -0.332 20 0 CBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001399258761 901688348 /nfs/dbraw/zinc/68/83/48/901688348.db2.gz XCHJWLDUMNXOEQ-RYUDHWBXSA-N 1 3 284.404 -0.362 20 0 CBADHO CN1CC[C@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399938512 901838943 /nfs/dbraw/zinc/83/89/43/901838943.db2.gz ZVMFWMGPDCAEID-STQMWFEESA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001400015391 901853852 /nfs/dbraw/zinc/85/38/52/901853852.db2.gz DXOZYCVZVQMQGF-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001400015391 901853863 /nfs/dbraw/zinc/85/38/63/901853863.db2.gz DXOZYCVZVQMQGF-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064814 901870207 /nfs/dbraw/zinc/87/02/07/901870207.db2.gz DOGSFOOXEBRMQP-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001400064814 901870217 /nfs/dbraw/zinc/87/02/17/901870217.db2.gz DOGSFOOXEBRMQP-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)NC ZINC001400807632 902021118 /nfs/dbraw/zinc/02/11/18/902021118.db2.gz YSURXNJMYVYCBQ-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)NC ZINC001400807632 902021126 /nfs/dbraw/zinc/02/11/26/902021126.db2.gz YSURXNJMYVYCBQ-RWMBFGLXSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(N)=O ZINC001400825415 902024909 /nfs/dbraw/zinc/02/49/09/902024909.db2.gz MKWHMEMDVUDKPH-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC ZINC001400903498 902036858 /nfs/dbraw/zinc/03/68/58/902036858.db2.gz KJILBRBFYXJARE-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC ZINC001400903502 902037047 /nfs/dbraw/zinc/03/70/47/902037047.db2.gz KJILBRBFYXJARE-VXGBXAGGSA-N 1 3 296.415 -0.299 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001401106569 902054939 /nfs/dbraw/zinc/05/49/39/902054939.db2.gz JFVRBZPIZSQXBS-VXGBXAGGSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C ZINC001401128592 902060492 /nfs/dbraw/zinc/06/04/92/902060492.db2.gz KZJFHBKXGFASHE-OLZOCXBDSA-N 1 3 298.431 -0.242 20 0 CBADHO C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)CN1CCCC1 ZINC001401255581 902095029 /nfs/dbraw/zinc/09/50/29/902095029.db2.gz HKOHUXNHBHKBOL-CHWSQXEVSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401274214 902100612 /nfs/dbraw/zinc/10/06/12/902100612.db2.gz RIQJTJYODYLONV-CYBMUJFWSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401610059 902188043 /nfs/dbraw/zinc/18/80/43/902188043.db2.gz MNEFEAQBKRWARV-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401610059 902188050 /nfs/dbraw/zinc/18/80/50/902188050.db2.gz MNEFEAQBKRWARV-QWRGUYRKSA-N 1 3 270.377 -0.750 20 0 CBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401650804 902210150 /nfs/dbraw/zinc/21/01/50/902210150.db2.gz HMZKJQPCOFLJLC-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001401685228 902229447 /nfs/dbraw/zinc/22/94/47/902229447.db2.gz JWEMEGUTHMKYIG-VHSXEESVSA-N 1 3 270.377 -0.561 20 0 CBADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401722191 902246558 /nfs/dbraw/zinc/24/65/58/902246558.db2.gz MYGPNTARRQFAIK-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401722191 902246569 /nfs/dbraw/zinc/24/65/69/902246569.db2.gz MYGPNTARRQFAIK-NWDGAFQWSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001401860466 902292230 /nfs/dbraw/zinc/29/22/30/902292230.db2.gz DQOHALOPMDMXGG-MNOVXSKESA-N 1 3 270.377 -0.704 20 0 CBADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401869083 902294243 /nfs/dbraw/zinc/29/42/43/902294243.db2.gz LFRQJPCHCMIGAI-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@H](NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402064426 902347230 /nfs/dbraw/zinc/34/72/30/902347230.db2.gz XUZKBTGXRJDEIA-RYUDHWBXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402060353 902348261 /nfs/dbraw/zinc/34/82/61/902348261.db2.gz PTGZHVVTHRYWGV-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001402081896 902351041 /nfs/dbraw/zinc/35/10/41/902351041.db2.gz QPTVZDSUKRZRIS-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001402081896 902351052 /nfs/dbraw/zinc/35/10/52/902351052.db2.gz QPTVZDSUKRZRIS-LLVKDONJSA-N 1 3 270.377 -0.606 20 0 CBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402225879 902385450 /nfs/dbraw/zinc/38/54/50/902385450.db2.gz HFRHDPQTKWMJLZ-CHWSQXEVSA-N 1 3 297.399 -0.720 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001402314347 902422340 /nfs/dbraw/zinc/42/23/40/902422340.db2.gz XWOCTTFRINWDCS-RAIGVLPGSA-N 1 3 296.415 -0.443 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001402314347 902422346 /nfs/dbraw/zinc/42/23/46/902422346.db2.gz XWOCTTFRINWDCS-RAIGVLPGSA-N 1 3 296.415 -0.443 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001402370071 902440325 /nfs/dbraw/zinc/44/03/25/902440325.db2.gz XNMJTKVCMZVPRB-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001402370071 902440333 /nfs/dbraw/zinc/44/03/33/902440333.db2.gz XNMJTKVCMZVPRB-STQMWFEESA-N 1 3 296.415 -0.299 20 0 CBADHO CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001402429388 902448198 /nfs/dbraw/zinc/44/81/98/902448198.db2.gz FDFHMFRANAYWIZ-RYUDHWBXSA-N 1 3 282.388 -0.641 20 0 CBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001402441003 902452755 /nfs/dbraw/zinc/45/27/55/902452755.db2.gz WEUNTTRXXPTCKR-FRRDWIJNSA-N 1 3 296.415 -0.408 20 0 CBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001402488089 902464187 /nfs/dbraw/zinc/46/41/87/902464187.db2.gz BUVMSBWDDJODEN-SRVKXCTJSA-N 1 3 296.415 -0.158 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001402513693 902468083 /nfs/dbraw/zinc/46/80/83/902468083.db2.gz NQJURVKHCZESIU-FDYHWXHSSA-N 1 3 296.415 -0.206 20 0 CBADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)N(C)C ZINC001402760216 902515854 /nfs/dbraw/zinc/51/58/54/902515854.db2.gz WIELKAQKSQBCSC-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402752843 902516606 /nfs/dbraw/zinc/51/66/06/902516606.db2.gz CSSICOTXQZSMNH-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001402752843 902516616 /nfs/dbraw/zinc/51/66/16/902516616.db2.gz CSSICOTXQZSMNH-VXGBXAGGSA-N 1 3 282.388 -0.606 20 0 CBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001402801707 902522483 /nfs/dbraw/zinc/52/24/83/902522483.db2.gz ZQDYHZJDESTXCC-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CNC(=O)CN[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403006033 902589845 /nfs/dbraw/zinc/58/98/45/902589845.db2.gz NICSSEOEXYFFDR-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001403047638 902599117 /nfs/dbraw/zinc/59/91/17/902599117.db2.gz JYFMBHYITKWDNW-VXGBXAGGSA-N 1 3 286.420 -0.055 20 0 CBADHO CC[C@H](N[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001403042216 902599568 /nfs/dbraw/zinc/59/95/68/902599568.db2.gz IOKLWPUTUWHHRS-PWSUYJOCSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001403040617 902600066 /nfs/dbraw/zinc/60/00/66/902600066.db2.gz JOGSIKYMYOJVTJ-NXEZZACHSA-N 1 3 270.377 -0.561 20 0 CBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403057609 902602488 /nfs/dbraw/zinc/60/24/88/902602488.db2.gz CKLCOFNHRQQEBB-RYUDHWBXSA-N 1 3 298.431 -0.053 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403074554 902608743 /nfs/dbraw/zinc/60/87/43/902608743.db2.gz YARGQVBZBBXLLC-GHMZBOCLSA-N 1 3 284.404 -0.301 20 0 CBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001403075478 902609772 /nfs/dbraw/zinc/60/97/72/902609772.db2.gz KPAQRVQETLENFL-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001403075478 902609776 /nfs/dbraw/zinc/60/97/76/902609776.db2.gz KPAQRVQETLENFL-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001403154052 902630166 /nfs/dbraw/zinc/63/01/66/902630166.db2.gz AZLBQFUAZBXKGA-NWDGAFQWSA-N 1 3 284.404 -0.170 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001403263436 902659047 /nfs/dbraw/zinc/65/90/47/902659047.db2.gz QKNMJJOEFMUZAS-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403740395 902833196 /nfs/dbraw/zinc/83/31/96/902833196.db2.gz WFTUPYFHTNMFKK-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO COC[C@@H](O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403740395 902833207 /nfs/dbraw/zinc/83/32/07/902833207.db2.gz WFTUPYFHTNMFKK-STQMWFEESA-N 1 3 287.404 -0.617 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001403751944 902839169 /nfs/dbraw/zinc/83/91/69/902839169.db2.gz NNBQQKMOHHFAIR-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001403953272 902911387 /nfs/dbraw/zinc/91/13/87/902911387.db2.gz CJCONSQPJOYSKK-NSHDSACASA-N 1 3 296.415 -0.312 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001404309857 902970291 /nfs/dbraw/zinc/97/02/91/902970291.db2.gz FETCZTSXOBCZKQ-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404312849 902970341 /nfs/dbraw/zinc/97/03/41/902970341.db2.gz ACPUTLXKKOZNJU-LBPRGKRZSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](O)CN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001404927031 903055541 /nfs/dbraw/zinc/05/55/41/903055541.db2.gz ZWSZRZLXUNVXPC-GFCCVEGCSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001458815309 914682491 /nfs/dbraw/zinc/68/24/91/914682491.db2.gz HABLLZHWPUQWSD-OLZOCXBDSA-N 1 3 298.431 -0.005 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001405069546 903078938 /nfs/dbraw/zinc/07/89/38/903078938.db2.gz RNKYWSPMZMLAPU-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001405069546 903078947 /nfs/dbraw/zinc/07/89/47/903078947.db2.gz RNKYWSPMZMLAPU-MCIONIFRSA-N 1 3 299.415 -0.474 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC ZINC001405287876 903138421 /nfs/dbraw/zinc/13/84/21/903138421.db2.gz JMPZJICIZBFZME-AAEUAGOBSA-N 1 3 298.431 -0.053 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001405598592 903186616 /nfs/dbraw/zinc/18/66/16/903186616.db2.gz WRQZOWCFFKYMHV-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001405598592 903186621 /nfs/dbraw/zinc/18/66/21/903186621.db2.gz WRQZOWCFFKYMHV-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001405720235 903209564 /nfs/dbraw/zinc/20/95/64/903209564.db2.gz QODSOIBGKXTCOW-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875506 903242672 /nfs/dbraw/zinc/24/26/72/903242672.db2.gz VALHBUKWMGRHKM-NEPJUHHUSA-N 1 3 296.415 -0.347 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H](C)C1 ZINC001405956466 903248786 /nfs/dbraw/zinc/24/87/86/903248786.db2.gz BFWFMYBTXPMBMV-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001405971265 903248971 /nfs/dbraw/zinc/24/89/71/903248971.db2.gz MVBOEDFNXWCECH-RYUDHWBXSA-N 1 3 284.404 -0.360 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(N)=O ZINC001406060644 903259371 /nfs/dbraw/zinc/25/93/71/903259371.db2.gz CLGINTDEQUGSLV-WDEREUQCSA-N 1 3 270.377 -0.846 20 0 CBADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(N)=O ZINC001406060644 903259378 /nfs/dbraw/zinc/25/93/78/903259378.db2.gz CLGINTDEQUGSLV-WDEREUQCSA-N 1 3 270.377 -0.846 20 0 CBADHO CC[C@H](F)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293132 903342536 /nfs/dbraw/zinc/34/25/36/903342536.db2.gz ZGYIMIYVDFXILE-RYUDHWBXSA-N 1 3 287.379 -0.103 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406321377 903353561 /nfs/dbraw/zinc/35/35/61/903353561.db2.gz DXGYYYPRFBCQLQ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406321377 903353573 /nfs/dbraw/zinc/35/35/73/903353573.db2.gz DXGYYYPRFBCQLQ-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406359008 903372625 /nfs/dbraw/zinc/37/26/25/903372625.db2.gz AMOBLWKLOZWIOQ-ZYHUDNBSSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406409189 903395548 /nfs/dbraw/zinc/39/55/48/903395548.db2.gz VJRQEMFKOZXLAL-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406516370 903422664 /nfs/dbraw/zinc/42/26/64/903422664.db2.gz UYSJIYSIXXUYKU-CMPLNLGQSA-N 1 3 272.393 -0.587 20 0 CBADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406524276 903423053 /nfs/dbraw/zinc/42/30/53/903423053.db2.gz WHLYIIONCYMPJG-RYUDHWBXSA-N 1 3 298.431 -0.101 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001406518220 903423821 /nfs/dbraw/zinc/42/38/21/903423821.db2.gz GBTKXUCTUJKFON-NEPJUHHUSA-N 1 3 296.415 -0.299 20 0 CBADHO CNC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001406782767 903480011 /nfs/dbraw/zinc/48/00/11/903480011.db2.gz MBQRJADNIBOVAP-LBPRGKRZSA-N 1 3 294.399 -0.687 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001407235655 903559095 /nfs/dbraw/zinc/55/90/95/903559095.db2.gz LGZRZLGQQHMIAJ-SWLSCSKDSA-N 1 3 298.431 -0.099 20 0 CBADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)C1CCC1 ZINC001407343288 903571858 /nfs/dbraw/zinc/57/18/58/903571858.db2.gz GXZLCJNRRYWAHX-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)C1CCC1 ZINC001407343288 903571872 /nfs/dbraw/zinc/57/18/72/903571872.db2.gz GXZLCJNRRYWAHX-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO CCNC(=O)CNC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001407807354 903662817 /nfs/dbraw/zinc/66/28/17/903662817.db2.gz WKQLLXBZCZOJQO-UHFFFAOYSA-N 1 3 284.404 -0.297 20 0 CBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001408200142 903728907 /nfs/dbraw/zinc/72/89/07/903728907.db2.gz YXJOCXVQHMQGMI-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO CN(CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001409066840 903843344 /nfs/dbraw/zinc/84/33/44/903843344.db2.gz OKPNMHYJVOVZRB-UHFFFAOYSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001409289398 903878229 /nfs/dbraw/zinc/87/82/29/903878229.db2.gz QOGWQGGSLYOJMI-UHFFFAOYSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)C1 ZINC001409436391 903900792 /nfs/dbraw/zinc/90/07/92/903900792.db2.gz ALCHXXFBEKXTKT-GFCCVEGCSA-N 1 3 298.431 -0.112 20 0 CBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001409425777 903902408 /nfs/dbraw/zinc/90/24/08/903902408.db2.gz LDASQBUQFKGEOC-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001409425777 903902423 /nfs/dbraw/zinc/90/24/23/903902423.db2.gz LDASQBUQFKGEOC-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001410211875 904043926 /nfs/dbraw/zinc/04/39/26/904043926.db2.gz PXGAIGQOWBSFDO-FIQHERPVSA-N 1 3 284.404 -0.315 20 0 CBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001410220725 904049119 /nfs/dbraw/zinc/04/91/19/904049119.db2.gz KVPTULSZWWCJQJ-ZDEQEGDKSA-N 1 3 296.415 -0.301 20 0 CBADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410230978 904050121 /nfs/dbraw/zinc/05/01/21/904050121.db2.gz KJGMBXYSTHUFSL-JOCQHMNTSA-N 1 3 298.431 -0.053 20 0 CBADHO CC(C)[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)[NH+](C)C ZINC001410335355 904072638 /nfs/dbraw/zinc/07/26/38/904072638.db2.gz UZMLGVHZAXMMAN-JSGCOSHPSA-N 1 3 298.431 -0.116 20 0 CBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001410526848 904112748 /nfs/dbraw/zinc/11/27/48/904112748.db2.gz XUOYZWSQLFPNFI-QWRGUYRKSA-N 1 3 272.393 -0.363 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001410618061 904144807 /nfs/dbraw/zinc/14/48/07/904144807.db2.gz GVRCFPINJQMITA-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001410916635 904203561 /nfs/dbraw/zinc/20/35/61/904203561.db2.gz OYRYDLGFJHDZPJ-UHFFFAOYSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001411224478 904269130 /nfs/dbraw/zinc/26/91/30/904269130.db2.gz OVLLYEFFPCAOGN-JTQLQIEISA-N 1 3 272.393 -0.456 20 0 CBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001411269122 904275816 /nfs/dbraw/zinc/27/58/16/904275816.db2.gz BJVRUUWNWLVFMQ-VOMCLLRMSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(O)COC1 ZINC001413269097 904984455 /nfs/dbraw/zinc/98/44/55/904984455.db2.gz ZIEATIJAYQUKBY-NSHDSACASA-N 1 3 273.377 -0.864 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(O)COC1 ZINC001413269097 904984465 /nfs/dbraw/zinc/98/44/65/904984465.db2.gz ZIEATIJAYQUKBY-NSHDSACASA-N 1 3 273.377 -0.864 20 0 CBADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001415718267 905659535 /nfs/dbraw/zinc/65/95/35/905659535.db2.gz PMGHQSMPSHGESB-UHFFFAOYSA-N 1 3 295.387 -0.131 20 0 CBADHO CCN(CC)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001415999557 905692018 /nfs/dbraw/zinc/69/20/18/905692018.db2.gz KWKKRDSTWFKDID-UHFFFAOYSA-N 1 3 298.431 -0.003 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001416859941 905817022 /nfs/dbraw/zinc/81/70/22/905817022.db2.gz DXOZYCVZVQMQGF-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001416859941 905817035 /nfs/dbraw/zinc/81/70/35/905817035.db2.gz DXOZYCVZVQMQGF-UPJWGTAASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001417985232 906130959 /nfs/dbraw/zinc/13/09/59/906130959.db2.gz QVDHQWDSXVCORF-VXGBXAGGSA-N 1 3 284.404 -0.443 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418069482 906154526 /nfs/dbraw/zinc/15/45/26/906154526.db2.gz AGFXIUGEYHLYFY-GVXVVHGQSA-N 1 3 284.404 -0.445 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC)CC[N@@H+]1C ZINC001418233286 906228009 /nfs/dbraw/zinc/22/80/09/906228009.db2.gz XJMFFIYJIDUMDV-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC)CC[N@H+]1C ZINC001418233286 906228023 /nfs/dbraw/zinc/22/80/23/906228023.db2.gz XJMFFIYJIDUMDV-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001418237564 906232570 /nfs/dbraw/zinc/23/25/70/906232570.db2.gz JCDAALZEIUWYKE-YPMHNXCESA-N 1 3 286.420 -0.245 20 0 CBADHO CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001418235761 906233159 /nfs/dbraw/zinc/23/31/59/906233159.db2.gz OGIUGPKDWXTRHN-LLVKDONJSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001418264847 906246018 /nfs/dbraw/zinc/24/60/18/906246018.db2.gz DGOZHFBVYZALOV-ZYHUDNBSSA-N 1 3 282.388 -0.689 20 0 CBADHO CCN1CC[C@H](N[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001418269907 906249055 /nfs/dbraw/zinc/24/90/55/906249055.db2.gz SWEIDAPROGBMNB-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001418298252 906271357 /nfs/dbraw/zinc/27/13/57/906271357.db2.gz GAIMJNVIXFKMSQ-NEPJUHHUSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(N)=O ZINC001418315308 906278771 /nfs/dbraw/zinc/27/87/71/906278771.db2.gz WXPIYOJWDKFGSN-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418899089 906508392 /nfs/dbraw/zinc/50/83/92/906508392.db2.gz ASSRMDQGLAPMTC-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418905454 906510482 /nfs/dbraw/zinc/51/04/82/906510482.db2.gz SCWAUKVVZYRSRT-NEPJUHHUSA-N 1 3 284.404 -0.360 20 0 CBADHO C[C@@H](O)CN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419093414 906597544 /nfs/dbraw/zinc/59/75/44/906597544.db2.gz DMTMZXCVQBURBZ-CHWSQXEVSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419190770 906634806 /nfs/dbraw/zinc/63/48/06/906634806.db2.gz FMFFRXXYBHWZNG-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001419214552 906639891 /nfs/dbraw/zinc/63/98/91/906639891.db2.gz DEDBJGBULCUETR-QWHCGFSZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCNC1=O ZINC001419218200 906640159 /nfs/dbraw/zinc/64/01/59/906640159.db2.gz GWCYWPQHPVODBR-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCNC1=O ZINC001419218202 906641617 /nfs/dbraw/zinc/64/16/17/906641617.db2.gz GWCYWPQHPVODBR-RYUDHWBXSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001419421193 906682171 /nfs/dbraw/zinc/68/21/71/906682171.db2.gz GBRMOMHPMZVILQ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001419421193 906682188 /nfs/dbraw/zinc/68/21/88/906682188.db2.gz GBRMOMHPMZVILQ-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419516826 906713110 /nfs/dbraw/zinc/71/31/10/906713110.db2.gz WLTADIXUFQGGIT-CHWSQXEVSA-N 1 3 298.431 -0.194 20 0 CBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001419623958 906741836 /nfs/dbraw/zinc/74/18/36/906741836.db2.gz SPDCMOAMANXQQE-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001419623958 906741848 /nfs/dbraw/zinc/74/18/48/906741848.db2.gz SPDCMOAMANXQQE-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1CCCCN1C ZINC001419680287 906765693 /nfs/dbraw/zinc/76/56/93/906765693.db2.gz FSSADUPVGBVBKT-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H](C)C(N)=O ZINC001419834243 906828191 /nfs/dbraw/zinc/82/81/91/906828191.db2.gz VYYQTVDQIWOQIX-MNOVXSKESA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001419826500 906829084 /nfs/dbraw/zinc/82/90/84/906829084.db2.gz BJZWWCQESDQHSI-NWDGAFQWSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419848543 906833061 /nfs/dbraw/zinc/83/30/61/906833061.db2.gz JAXOEUWGHUBNKT-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001419928686 906860579 /nfs/dbraw/zinc/86/05/79/906860579.db2.gz AGAXGJBNXYMRFV-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001420336542 907109858 /nfs/dbraw/zinc/10/98/58/907109858.db2.gz BFTJRTAPXJSTEQ-CHWSQXEVSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001420347031 907113064 /nfs/dbraw/zinc/11/30/64/907113064.db2.gz XWAAEVPJCAMZKB-MXWKQRLJSA-N 1 3 272.393 -0.315 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001420376418 907126755 /nfs/dbraw/zinc/12/67/55/907126755.db2.gz JWGYPFPTPFFRMM-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420509643 907189098 /nfs/dbraw/zinc/18/90/98/907189098.db2.gz DVOLZKQCBDFTFW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420509643 907189106 /nfs/dbraw/zinc/18/91/06/907189106.db2.gz DVOLZKQCBDFTFW-QWHCGFSZSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](CNCC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001420516841 907192537 /nfs/dbraw/zinc/19/25/37/907192537.db2.gz LQBXYFNXAQBGES-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)N(C)C ZINC001420779302 907298987 /nfs/dbraw/zinc/29/89/87/907298987.db2.gz DQOHALOPMDMXGG-WDEREUQCSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001420937961 907367457 /nfs/dbraw/zinc/36/74/57/907367457.db2.gz GKIBGBNJELZMEP-RYUDHWBXSA-N 1 3 284.404 -0.408 20 0 CBADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001420952272 907369486 /nfs/dbraw/zinc/36/94/86/907369486.db2.gz WXQJNBZLANWNDG-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001421121252 907433355 /nfs/dbraw/zinc/43/33/55/907433355.db2.gz POEXRXJSGSCQGN-LBPRGKRZSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421125688 907440096 /nfs/dbraw/zinc/44/00/96/907440096.db2.gz LJZFTDHPRSWRNN-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421125688 907440102 /nfs/dbraw/zinc/44/01/02/907440102.db2.gz LJZFTDHPRSWRNN-QWHCGFSZSA-N 1 3 296.415 -0.393 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001421356387 907504334 /nfs/dbraw/zinc/50/43/34/907504334.db2.gz ZHBGFFKCDCJYNA-UKRRQHHQSA-N 1 3 299.415 -0.596 20 0 CBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421356387 907504340 /nfs/dbraw/zinc/50/43/40/907504340.db2.gz ZHBGFFKCDCJYNA-UKRRQHHQSA-N 1 3 299.415 -0.596 20 0 CBADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)C1CCC1 ZINC001421370263 907508527 /nfs/dbraw/zinc/50/85/27/907508527.db2.gz RRYGQZAEHRWUER-AWEZNQCLSA-N 1 3 285.388 -0.984 20 0 CBADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)C1CCC1 ZINC001421370263 907508531 /nfs/dbraw/zinc/50/85/31/907508531.db2.gz RRYGQZAEHRWUER-AWEZNQCLSA-N 1 3 285.388 -0.984 20 0 CBADHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(N)=O ZINC001421434919 907547355 /nfs/dbraw/zinc/54/73/55/907547355.db2.gz HNDQETOTIFSWOU-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001421548767 907578634 /nfs/dbraw/zinc/57/86/34/907578634.db2.gz DNGHQVMQZOXXDM-QWHCGFSZSA-N 1 3 298.431 -0.242 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)N(C)C ZINC001421603537 907588111 /nfs/dbraw/zinc/58/81/11/907588111.db2.gz QAPJXYQDFPFROE-SRVKXCTJSA-N 1 3 284.404 -0.171 20 0 CBADHO COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001502079381 921337111 /nfs/dbraw/zinc/33/71/11/921337111.db2.gz OWMGZVGPZLSNBL-LBPRGKRZSA-N 1 3 282.344 -0.584 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001421708152 907623330 /nfs/dbraw/zinc/62/33/30/907623330.db2.gz RVGLLLPVGOGVES-YNEHKIRRSA-N 1 3 296.415 -0.075 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001421759606 907637065 /nfs/dbraw/zinc/63/70/65/907637065.db2.gz OMRWNQQAMCJKMM-NEPJUHHUSA-N 1 3 284.404 -0.441 20 0 CBADHO C[C@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(N)=O ZINC001421757862 907637595 /nfs/dbraw/zinc/63/75/95/907637595.db2.gz WGWBFFDFWVBTHJ-WDEREUQCSA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(NCC(N)=O)CCC1 ZINC001421806305 907647606 /nfs/dbraw/zinc/64/76/06/907647606.db2.gz SYNJQOZMBYIRRS-TXEJJXNPSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(NCC(N)=O)CCC1 ZINC001421806305 907647617 /nfs/dbraw/zinc/64/76/17/907647617.db2.gz SYNJQOZMBYIRRS-TXEJJXNPSA-N 1 3 296.415 -0.027 20 0 CBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001422057662 907709448 /nfs/dbraw/zinc/70/94/48/907709448.db2.gz YBIGZCOJDSZFEA-NEPJUHHUSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001422057901 907709950 /nfs/dbraw/zinc/70/99/50/907709950.db2.gz YBIGZCOJDSZFEA-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001502205573 921347591 /nfs/dbraw/zinc/34/75/91/921347591.db2.gz GZELUMCKVNDZHJ-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001502205573 921347608 /nfs/dbraw/zinc/34/76/08/921347608.db2.gz GZELUMCKVNDZHJ-JHJVBQTASA-N 1 3 298.431 -0.101 20 0 CBADHO COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001422385384 907837539 /nfs/dbraw/zinc/83/75/39/907837539.db2.gz AAOZIKAYPBHZNH-KOLCDFICSA-N 1 3 284.360 -0.638 20 0 CBADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001422449177 907864215 /nfs/dbraw/zinc/86/42/15/907864215.db2.gz JQLCFNCCTGVAJN-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[N@H+](C)CC ZINC001422456657 907866225 /nfs/dbraw/zinc/86/62/25/907866225.db2.gz ZJWCTMPNPVABED-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[N@@H+](C)CC ZINC001422456657 907866239 /nfs/dbraw/zinc/86/62/39/907866239.db2.gz ZJWCTMPNPVABED-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422458131 907867473 /nfs/dbraw/zinc/86/74/73/907867473.db2.gz JNIGZSDDYTYADP-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422458131 907867489 /nfs/dbraw/zinc/86/74/89/907867489.db2.gz JNIGZSDDYTYADP-OLZOCXBDSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422460490 907867622 /nfs/dbraw/zinc/86/76/22/907867622.db2.gz MRGCQKRLZLJTNC-QWHCGFSZSA-N 1 3 298.431 -0.101 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422458133 907869322 /nfs/dbraw/zinc/86/93/22/907869322.db2.gz JNIGZSDDYTYADP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422458133 907869337 /nfs/dbraw/zinc/86/93/37/907869337.db2.gz JNIGZSDDYTYADP-QWHCGFSZSA-N 1 3 298.431 -0.147 20 0 CBADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422646959 907966242 /nfs/dbraw/zinc/96/62/42/907966242.db2.gz BVLFLALHCKFEOA-WCQYABFASA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC)C1CC1)N(C)C ZINC001423010803 908072829 /nfs/dbraw/zinc/07/28/29/908072829.db2.gz WJRIQJUDVBRCPG-CHWSQXEVSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001423068092 908097515 /nfs/dbraw/zinc/09/75/15/908097515.db2.gz YIXZSAYXTHVZSL-NSHDSACASA-N 1 3 270.377 -0.704 20 0 CBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001423353593 908210621 /nfs/dbraw/zinc/21/06/21/908210621.db2.gz YXFOGLHPYSFYPY-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001423353593 908210633 /nfs/dbraw/zinc/21/06/33/908210633.db2.gz YXFOGLHPYSFYPY-VXGBXAGGSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001423451821 908245321 /nfs/dbraw/zinc/24/53/21/908245321.db2.gz MUSKXEBSGXHUNM-CHWSQXEVSA-N 1 3 296.415 -0.203 20 0 CBADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC(N)=O)C1)N(C)C ZINC001423683213 908302995 /nfs/dbraw/zinc/30/29/95/908302995.db2.gz SBQGNSBNBVOBEW-GCZXYKMCSA-N 1 3 284.404 -0.363 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424408299 908454615 /nfs/dbraw/zinc/45/46/15/908454615.db2.gz IRGSZQSKGHOMLF-DZGCQCFKSA-N 1 3 299.415 -0.736 20 0 CBADHO CN(C(=O)CC[NH+](C)C)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001425493937 908658280 /nfs/dbraw/zinc/65/82/80/908658280.db2.gz MPBPERDZGHPINV-CHWSQXEVSA-N 1 3 296.415 -0.347 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC ZINC001425665169 908687183 /nfs/dbraw/zinc/68/71/83/908687183.db2.gz TUNZLJHCKSHAAT-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC ZINC001425665169 908687191 /nfs/dbraw/zinc/68/71/91/908687191.db2.gz TUNZLJHCKSHAAT-NWDGAFQWSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC ZINC001425665172 908687482 /nfs/dbraw/zinc/68/74/82/908687482.db2.gz TUNZLJHCKSHAAT-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC ZINC001425665172 908687490 /nfs/dbraw/zinc/68/74/90/908687490.db2.gz TUNZLJHCKSHAAT-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678010 908690823 /nfs/dbraw/zinc/69/08/23/908690823.db2.gz CWJCBGMSHVHZTI-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001425678010 908690828 /nfs/dbraw/zinc/69/08/28/908690828.db2.gz CWJCBGMSHVHZTI-CHWSQXEVSA-N 1 3 296.415 -0.393 20 0 CBADHO C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001425909325 908779995 /nfs/dbraw/zinc/77/99/95/908779995.db2.gz ZSSRLOFBIHLWPJ-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426001890 908801543 /nfs/dbraw/zinc/80/15/43/908801543.db2.gz HWHVTKDSPNYDRR-NEPJUHHUSA-N 1 3 287.404 -0.740 20 0 CBADHO CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505682592 921468306 /nfs/dbraw/zinc/46/83/06/921468306.db2.gz UIIPPLQSTUWXLE-VXGBXAGGSA-N 1 3 286.420 -0.101 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436878194 910498815 /nfs/dbraw/zinc/49/88/15/910498815.db2.gz KWMJPMSBEJZFOM-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436878194 910498826 /nfs/dbraw/zinc/49/88/26/910498826.db2.gz KWMJPMSBEJZFOM-NEPJUHHUSA-N 1 3 282.388 -0.735 20 0 CBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001436977837 910522278 /nfs/dbraw/zinc/52/22/78/910522278.db2.gz WPIMBTNTMKTERV-FRRDWIJNSA-N 1 3 296.415 -0.204 20 0 CBADHO CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437198384 910584130 /nfs/dbraw/zinc/58/41/30/910584130.db2.gz BNOXRYFTDUEKFX-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001437213900 910588699 /nfs/dbraw/zinc/58/86/99/910588699.db2.gz JXSLNRHLTVHNSG-QWRGUYRKSA-N 1 3 284.404 -0.314 20 0 CBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437249064 910597616 /nfs/dbraw/zinc/59/76/16/910597616.db2.gz OKONACYAVGCBJQ-RYUDHWBXSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCNC1=O ZINC001437245345 910598960 /nfs/dbraw/zinc/59/89/60/910598960.db2.gz ZUZBBPPUDYVSKH-WDEREUQCSA-N 1 3 280.372 -0.935 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001437260468 910603040 /nfs/dbraw/zinc/60/30/40/910603040.db2.gz LOSCPEWQQKRLRB-QWRGUYRKSA-N 1 3 291.417 -0.923 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001437260468 910603052 /nfs/dbraw/zinc/60/30/52/910603052.db2.gz LOSCPEWQQKRLRB-QWRGUYRKSA-N 1 3 291.417 -0.923 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001437312968 910612514 /nfs/dbraw/zinc/61/25/14/910612514.db2.gz JHUBISXLNYTFAE-LBPRGKRZSA-N 1 3 284.404 -0.488 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001437841992 910767627 /nfs/dbraw/zinc/76/76/27/910767627.db2.gz ICEUQSLMUPWIOO-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001437841992 910767641 /nfs/dbraw/zinc/76/76/41/910767641.db2.gz ICEUQSLMUPWIOO-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001437846341 910769136 /nfs/dbraw/zinc/76/91/36/910769136.db2.gz WSRRJFVJMQEADB-GFCCVEGCSA-N 1 3 296.415 -0.393 20 0 CBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(N)=O ZINC001438345895 910884395 /nfs/dbraw/zinc/88/43/95/910884395.db2.gz MKARVVXXBKPTMG-MNOVXSKESA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001439017444 911058687 /nfs/dbraw/zinc/05/86/87/911058687.db2.gz GBRJYNVOXSVMHV-NEPJUHHUSA-N 1 3 289.420 -0.588 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439083914 911097180 /nfs/dbraw/zinc/09/71/80/911097180.db2.gz MDXAVIVUWANGJZ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439083914 911097194 /nfs/dbraw/zinc/09/71/94/911097194.db2.gz MDXAVIVUWANGJZ-QWHCGFSZSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC)CC[N@@H+]1C ZINC001439107660 911105226 /nfs/dbraw/zinc/10/52/26/911105226.db2.gz DSWJMINKDNNYBZ-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC)CC[N@H+]1C ZINC001439107660 911105232 /nfs/dbraw/zinc/10/52/32/911105232.db2.gz DSWJMINKDNNYBZ-GRYCIOLGSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001439121070 911112388 /nfs/dbraw/zinc/11/23/88/911112388.db2.gz VAKQXZNUUIIYIN-MNOVXSKESA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439137811 911116593 /nfs/dbraw/zinc/11/65/93/911116593.db2.gz DOBXPPRPXANORK-VXGBXAGGSA-N 1 3 296.415 -0.156 20 0 CBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439141783 911116737 /nfs/dbraw/zinc/11/67/37/911116737.db2.gz DBRYZVFWGRIWTN-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001439150897 911120276 /nfs/dbraw/zinc/12/02/76/911120276.db2.gz TYHLADQZMNRHED-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001439215134 911143456 /nfs/dbraw/zinc/14/34/56/911143456.db2.gz PUWNRVMXRPFPEM-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439245623 911153556 /nfs/dbraw/zinc/15/35/56/911153556.db2.gz XFESPMYBEUFISX-CYDGBPFRSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439245623 911153566 /nfs/dbraw/zinc/15/35/66/911153566.db2.gz XFESPMYBEUFISX-CYDGBPFRSA-N 1 3 296.415 -0.301 20 0 CBADHO CN1CC[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001439471982 911215277 /nfs/dbraw/zinc/21/52/77/911215277.db2.gz NZFYEZXWIFALHJ-QWHCGFSZSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)N1CCCC1 ZINC001440006143 911341278 /nfs/dbraw/zinc/34/12/78/911341278.db2.gz VFHBNQDQRVBXDY-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N1CCCC1 ZINC001440006143 911341298 /nfs/dbraw/zinc/34/12/98/911341298.db2.gz VFHBNQDQRVBXDY-OAHLLOKOSA-N 1 3 299.415 -0.594 20 0 CBADHO O=C(CCC[NH+]1CCCC1)NC[C@]1(O)CCN(CCO)C1 ZINC001440019956 911348903 /nfs/dbraw/zinc/34/89/03/911348903.db2.gz QIMWVIMBDQRXOG-OAHLLOKOSA-N 1 3 299.415 -0.592 20 0 CBADHO CNC(=O)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001440333706 911432578 /nfs/dbraw/zinc/43/25/78/911432578.db2.gz OHMPIJISWHTTMH-UHFFFAOYSA-N 1 3 296.415 -0.297 20 0 CBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001440592807 911480761 /nfs/dbraw/zinc/48/07/61/911480761.db2.gz KAOIZTYEGYDLQB-NEPJUHHUSA-N 1 3 284.404 -0.491 20 0 CBADHO CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001440750906 911505979 /nfs/dbraw/zinc/50/59/79/911505979.db2.gz FHDWAVDDGNJTNH-YIZWMMSDSA-N 1 3 298.431 -0.197 20 0 CBADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)N(C)C ZINC001440842517 911530201 /nfs/dbraw/zinc/53/02/01/911530201.db2.gz SAYIHMPXWVMGQT-WDEREUQCSA-N 1 3 272.393 -0.491 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](NCC(=O)N1CCC1)C1CC1 ZINC001441233805 911631788 /nfs/dbraw/zinc/63/17/88/911631788.db2.gz WPRGBYORKLKONZ-CYBMUJFWSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001441365543 911651381 /nfs/dbraw/zinc/65/13/81/911651381.db2.gz USHNAVUFIZQTKX-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441365543 911651391 /nfs/dbraw/zinc/65/13/91/911651391.db2.gz USHNAVUFIZQTKX-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001441361092 911653227 /nfs/dbraw/zinc/65/32/27/911653227.db2.gz RYQCADVURZJRLS-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001441365539 911653673 /nfs/dbraw/zinc/65/36/73/911653673.db2.gz USHNAVUFIZQTKX-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441365539 911653682 /nfs/dbraw/zinc/65/36/82/911653682.db2.gz USHNAVUFIZQTKX-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001441382785 911658145 /nfs/dbraw/zinc/65/81/45/911658145.db2.gz FVCSVXDUMREBCA-SRVKXCTJSA-N 1 3 296.415 -0.029 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001441422425 911665800 /nfs/dbraw/zinc/66/58/00/911665800.db2.gz VRLZBPXMTXTMPM-LPWJVIDDSA-N 1 3 298.431 -0.056 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507125607 921684131 /nfs/dbraw/zinc/68/41/31/921684131.db2.gz ITAUUEXTWSGQFA-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507125607 921684141 /nfs/dbraw/zinc/68/41/41/921684141.db2.gz ITAUUEXTWSGQFA-CHWSQXEVSA-N 1 3 298.431 -0.099 20 0 CBADHO COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001441606246 911715909 /nfs/dbraw/zinc/71/59/09/911715909.db2.gz OKYSUWSVSNBSOZ-CMPLNLGQSA-N 1 3 284.360 -0.604 20 0 CBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001441771477 911794253 /nfs/dbraw/zinc/79/42/53/911794253.db2.gz WYYVUGVXCLJASJ-QWHCGFSZSA-N 1 3 287.404 -0.692 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001507161552 921692707 /nfs/dbraw/zinc/69/27/07/921692707.db2.gz LZPDXGCJJPMDQF-NWDGAFQWSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001441837795 911829367 /nfs/dbraw/zinc/82/93/67/911829367.db2.gz FIHKAYRBXMLIGB-GFCCVEGCSA-N 1 3 294.403 -0.143 20 0 CBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441834510 911831163 /nfs/dbraw/zinc/83/11/63/911831163.db2.gz IYALBBHURLGEQC-AAEUAGOBSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCC1 ZINC001441845737 911835678 /nfs/dbraw/zinc/83/56/78/911835678.db2.gz YYGXFXNKXSOQMX-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001441940445 911857097 /nfs/dbraw/zinc/85/70/97/911857097.db2.gz KHOWSYINFHIPMR-VWYCJHECSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(N)=O ZINC001441940445 911857105 /nfs/dbraw/zinc/85/71/05/911857105.db2.gz KHOWSYINFHIPMR-VWYCJHECSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001441937134 911858907 /nfs/dbraw/zinc/85/89/07/911858907.db2.gz KMISLZINEBGNRK-UWVGGRQHSA-N 1 3 270.377 -0.704 20 0 CBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCNC1=O ZINC001441947313 911864643 /nfs/dbraw/zinc/86/46/43/911864643.db2.gz UKUUWIPBQLCVKO-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCNC1=O ZINC001442010975 911895907 /nfs/dbraw/zinc/89/59/07/911895907.db2.gz OXBLQOCMIYGRLC-NWDGAFQWSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001442066697 911912695 /nfs/dbraw/zinc/91/26/95/911912695.db2.gz OCTOGSWBKSMWIH-GFCCVEGCSA-N 1 3 282.392 -0.287 20 0 CBADHO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001443076990 912148217 /nfs/dbraw/zinc/14/82/17/912148217.db2.gz LFPDCQLANGYLOO-CHWSQXEVSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001443076998 912148261 /nfs/dbraw/zinc/14/82/61/912148261.db2.gz LFPDCQLANGYLOO-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001443106255 912157350 /nfs/dbraw/zinc/15/73/50/912157350.db2.gz WCYHAZPALPPPRE-LLVKDONJSA-N 1 3 270.377 -0.737 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001443107854 912158908 /nfs/dbraw/zinc/15/89/08/912158908.db2.gz ZIMNCNABPGZJQE-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001443107854 912158915 /nfs/dbraw/zinc/15/89/15/912158915.db2.gz ZIMNCNABPGZJQE-GHMZBOCLSA-N 1 3 270.377 -0.750 20 0 CBADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NCCC(F)(F)F ZINC001507231740 921764783 /nfs/dbraw/zinc/76/47/83/921764783.db2.gz JJDRWFYGKHJLPU-VIFPVBQESA-N 1 3 285.310 -0.043 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCOC2CCC2)C1 ZINC001507261413 921792848 /nfs/dbraw/zinc/79/28/48/921792848.db2.gz SBTMXZSQOLVZTG-QWHCGFSZSA-N 1 3 299.415 -0.426 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCOC2CCC2)C1 ZINC001507261413 921792853 /nfs/dbraw/zinc/79/28/53/921792853.db2.gz SBTMXZSQOLVZTG-QWHCGFSZSA-N 1 3 299.415 -0.426 20 0 CBADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001479320883 916117657 /nfs/dbraw/zinc/11/76/57/916117657.db2.gz HQJDWVLEDAJRRV-UPJWGTAASA-N 1 3 296.415 -0.441 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001479923044 916218761 /nfs/dbraw/zinc/21/87/61/916218761.db2.gz OJVOPNOVOOMICX-AWEZNQCLSA-N 1 3 298.431 -0.946 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001479923044 916218776 /nfs/dbraw/zinc/21/87/76/916218776.db2.gz OJVOPNOVOOMICX-AWEZNQCLSA-N 1 3 298.431 -0.946 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001479940965 916226160 /nfs/dbraw/zinc/22/61/60/916226160.db2.gz DMLHQWRMKSIXOI-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479940965 916226179 /nfs/dbraw/zinc/22/61/79/916226179.db2.gz DMLHQWRMKSIXOI-ZDUSSCGKSA-N 1 3 268.405 -0.308 20 0 CBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1)N(C)C ZINC001480157955 916314553 /nfs/dbraw/zinc/31/45/53/916314553.db2.gz DYVYKCBBMHGOIK-KKOKHZNYSA-N 1 3 257.378 -0.056 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061295 916276718 /nfs/dbraw/zinc/27/67/18/916276718.db2.gz HDGNYMBNSXRBRM-NWDGAFQWSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061295 916276738 /nfs/dbraw/zinc/27/67/38/916276738.db2.gz HDGNYMBNSXRBRM-NWDGAFQWSA-N 1 3 282.388 -0.832 20 0 CBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480173335 916316001 /nfs/dbraw/zinc/31/60/01/916316001.db2.gz GANUUIKJTSZJKQ-IJLUTSLNSA-N 1 3 284.404 -0.302 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590137 916481712 /nfs/dbraw/zinc/48/17/12/916481712.db2.gz HIMCPAZCVNLVDV-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480590137 916481722 /nfs/dbraw/zinc/48/17/22/916481722.db2.gz HIMCPAZCVNLVDV-RYUDHWBXSA-N 1 3 284.404 -0.443 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589792 916482673 /nfs/dbraw/zinc/48/26/73/916482673.db2.gz CLLWKKOLRMVBNX-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001480589792 916482685 /nfs/dbraw/zinc/48/26/85/916482685.db2.gz CLLWKKOLRMVBNX-VXGBXAGGSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001480649057 916509308 /nfs/dbraw/zinc/50/93/08/916509308.db2.gz RUDJDRGXLCUPGR-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CN(CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480866090 916593280 /nfs/dbraw/zinc/59/32/80/916593280.db2.gz VNVBHIPAEMMCPX-LBPRGKRZSA-N 1 3 255.362 -0.632 20 0 CBADHO CN(CCCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480934924 916643227 /nfs/dbraw/zinc/64/32/27/916643227.db2.gz IIPJMYXDYFLUGS-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CN(CCCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480934924 916643239 /nfs/dbraw/zinc/64/32/39/916643239.db2.gz IIPJMYXDYFLUGS-LBPRGKRZSA-N 1 3 257.378 -0.241 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481228877 916776144 /nfs/dbraw/zinc/77/61/44/916776144.db2.gz KOEZPEGLHRNECM-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481228877 916776155 /nfs/dbraw/zinc/77/61/55/916776155.db2.gz KOEZPEGLHRNECM-NEPJUHHUSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)CC[N@@H+]1C ZINC001481271755 916798721 /nfs/dbraw/zinc/79/87/21/916798721.db2.gz IQOQLGMLKHYFOD-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)CC[N@H+]1C ZINC001481271755 916798736 /nfs/dbraw/zinc/79/87/36/916798736.db2.gz IQOQLGMLKHYFOD-STQMWFEESA-N 1 3 298.431 -0.147 20 0 CBADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314354 916815639 /nfs/dbraw/zinc/81/56/39/916815639.db2.gz FISDXOLQBBUOFL-LBPRGKRZSA-N 1 3 282.388 -0.782 20 0 CBADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314354 916815656 /nfs/dbraw/zinc/81/56/56/916815656.db2.gz FISDXOLQBBUOFL-LBPRGKRZSA-N 1 3 282.388 -0.782 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCC(N)=O ZINC001481816507 916995727 /nfs/dbraw/zinc/99/57/27/916995727.db2.gz MGPHDLSIVOGONT-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCC(N)=O ZINC001481816507 916995731 /nfs/dbraw/zinc/99/57/31/916995731.db2.gz MGPHDLSIVOGONT-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001481849786 917004437 /nfs/dbraw/zinc/00/44/37/917004437.db2.gz FYSQFBKLDGORBQ-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001482062782 917038318 /nfs/dbraw/zinc/03/83/18/917038318.db2.gz YJDXNIVYNJKYRL-GFCCVEGCSA-N 1 3 294.403 -0.153 20 0 CBADHO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001482774113 917272197 /nfs/dbraw/zinc/27/21/97/917272197.db2.gz HCSGOMSCEZXHAI-STQMWFEESA-N 1 3 287.404 -0.690 20 0 CBADHO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001482774111 917272111 /nfs/dbraw/zinc/27/21/11/917272111.db2.gz HCSGOMSCEZXHAI-OLZOCXBDSA-N 1 3 287.404 -0.690 20 0 CBADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001482892367 917325370 /nfs/dbraw/zinc/32/53/70/917325370.db2.gz SQZXKYXYRHUJPB-NEPJUHHUSA-N 1 3 286.420 -0.101 20 0 CBADHO C[C@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001483054201 917390769 /nfs/dbraw/zinc/39/07/69/917390769.db2.gz KUNURCVCQVWHAL-BYCRGOAPSA-N 1 3 282.388 -0.536 20 0 CBADHO CC[C@H]([NH2+]C/C=C/CNC(=O)CN1CCCC1)C(N)=O ZINC001483093632 917403998 /nfs/dbraw/zinc/40/39/98/917403998.db2.gz SARSTZHDWBVARC-PCAWENJQSA-N 1 3 282.388 -0.392 20 0 CBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001483163065 917442695 /nfs/dbraw/zinc/44/26/95/917442695.db2.gz WYENUVXHZQNANT-SNVBAGLBSA-N 1 3 279.406 -0.923 20 0 CBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184944 917457120 /nfs/dbraw/zinc/45/71/20/917457120.db2.gz XUOZMAAHPPYLGL-LLVKDONJSA-N 1 3 294.399 -0.545 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483193341 917458295 /nfs/dbraw/zinc/45/82/95/917458295.db2.gz XPHCVWHTNALKHH-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483193341 917458305 /nfs/dbraw/zinc/45/83/05/917458305.db2.gz XPHCVWHTNALKHH-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001483197700 917461574 /nfs/dbraw/zinc/46/15/74/917461574.db2.gz PAIKYRZBJZYISA-VXGBXAGGSA-N 1 3 286.420 -0.102 20 0 CBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCC[NH+](C)C ZINC001483260402 917500769 /nfs/dbraw/zinc/50/07/69/917500769.db2.gz CWYWLLAZSHJPDV-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1 ZINC001483582813 917599738 /nfs/dbraw/zinc/59/97/38/917599738.db2.gz DXXPKHPHVAVRSJ-NSHDSACASA-N 1 3 282.388 -0.702 20 0 CBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001483943679 917713825 /nfs/dbraw/zinc/71/38/25/917713825.db2.gz WHHWDOSGWKKRSW-RYUDHWBXSA-N 1 3 282.388 -0.593 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072494 917732697 /nfs/dbraw/zinc/73/26/97/917732697.db2.gz VOQVBYJUVAIYIQ-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001484072494 917732710 /nfs/dbraw/zinc/73/27/10/917732710.db2.gz VOQVBYJUVAIYIQ-ZFWWWQNUSA-N 1 3 299.415 -0.472 20 0 CBADHO CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001485159694 918014365 /nfs/dbraw/zinc/01/43/65/918014365.db2.gz ZBVJFBZNXWNRAN-QWRGUYRKSA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCO ZINC001485314749 918071823 /nfs/dbraw/zinc/07/18/23/918071823.db2.gz UPKXXKZGLGUDQZ-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCO ZINC001485314749 918071831 /nfs/dbraw/zinc/07/18/31/918071831.db2.gz UPKXXKZGLGUDQZ-NSHDSACASA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001485739722 918177700 /nfs/dbraw/zinc/17/77/00/918177700.db2.gz YWTMZIZNDXMTND-CHWSQXEVSA-N 1 3 298.431 -0.051 20 0 CBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](CNCC(N)=O)C1CC1 ZINC001485832418 918198750 /nfs/dbraw/zinc/19/87/50/918198750.db2.gz NIKQXMXQLXDSHI-LBPRGKRZSA-N 1 3 294.399 -0.606 20 0 CBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC1CC1 ZINC001485919068 918228885 /nfs/dbraw/zinc/22/88/85/918228885.db2.gz JMKMAWAUQYLBJK-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486002361 918295875 /nfs/dbraw/zinc/29/58/75/918295875.db2.gz QHOKZSQBTMQAND-NWDGAFQWSA-N 1 3 287.404 -0.428 20 0 CBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@@H]1C ZINC001486092772 918363930 /nfs/dbraw/zinc/36/39/30/918363930.db2.gz HHWGKLDHFHDIJR-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@@H]1C ZINC001486092772 918363950 /nfs/dbraw/zinc/36/39/50/918363950.db2.gz HHWGKLDHFHDIJR-QWHCGFSZSA-N 1 3 298.431 -0.005 20 0 CBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001486086745 918364314 /nfs/dbraw/zinc/36/43/14/918364314.db2.gz ZHVJUUSWAIFBKY-NWDGAFQWSA-N 1 3 284.404 -0.347 20 0 CBADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001486203612 918381010 /nfs/dbraw/zinc/38/10/10/918381010.db2.gz ZVYKPWOEWSIDGA-NEPJUHHUSA-N 1 3 296.415 -0.170 20 0 CBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCOCCO)C1 ZINC001486457732 918467092 /nfs/dbraw/zinc/46/70/92/918467092.db2.gz JKFYZIXHJDZDKF-RUXDESIVSA-N 1 3 299.415 -0.332 20 0 CBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCO)C1)N(C)C ZINC001486480581 918472978 /nfs/dbraw/zinc/47/29/78/918472978.db2.gz KORFADMBSMCBJB-HTAVTVPLSA-N 1 3 257.378 -0.102 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001488803203 918769838 /nfs/dbraw/zinc/76/98/38/918769838.db2.gz DBBLJZPRCPTCLX-UTUOFQBUSA-N 1 3 284.404 -0.315 20 0 CBADHO C[C@H](O)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490448041 918909208 /nfs/dbraw/zinc/90/92/08/918909208.db2.gz QDYCCKNUDPXTJT-NWDGAFQWSA-N 1 3 257.378 -0.101 20 0 CBADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491190253 919073188 /nfs/dbraw/zinc/07/31/88/919073188.db2.gz JNQXRZPIPYUJPC-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001491318652 919114538 /nfs/dbraw/zinc/11/45/38/919114538.db2.gz VHKCZDMSSJFYBV-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001491318652 919114548 /nfs/dbraw/zinc/11/45/48/919114548.db2.gz VHKCZDMSSJFYBV-RYUDHWBXSA-N 1 3 284.404 -0.489 20 0 CBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCO ZINC001491580961 919216716 /nfs/dbraw/zinc/21/67/16/919216716.db2.gz YBDUGJXLOVHMRL-NEPJUHHUSA-N 1 3 257.378 -0.195 20 0 CBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491642006 919245734 /nfs/dbraw/zinc/24/57/34/919245734.db2.gz RZJIUKPJPFTQTP-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493549298 919577034 /nfs/dbraw/zinc/57/70/34/919577034.db2.gz FSZYURPCDYEOQF-ZDUSSCGKSA-N 1 3 296.415 -0.488 20 0 CBADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001493681236 919604281 /nfs/dbraw/zinc/60/42/81/919604281.db2.gz FTCKPNMWKKUYQQ-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001493695804 919609487 /nfs/dbraw/zinc/60/94/87/919609487.db2.gz WFSLUDYIQNDEDN-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001493695804 919609500 /nfs/dbraw/zinc/60/95/00/919609500.db2.gz WFSLUDYIQNDEDN-GFCCVEGCSA-N 1 3 296.415 -0.345 20 0 CBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001493806843 919626001 /nfs/dbraw/zinc/62/60/01/919626001.db2.gz PZVILYNZTYIMCW-SNVBAGLBSA-N 1 3 258.366 -0.752 20 0 CBADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494206519 919670253 /nfs/dbraw/zinc/67/02/53/919670253.db2.gz NNZKQYBTXLGWGU-GFCCVEGCSA-N 1 3 298.431 -0.018 20 0 CBADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC ZINC001494981745 919832012 /nfs/dbraw/zinc/83/20/12/919832012.db2.gz SOVTUGDQZOTNRO-CHWSQXEVSA-N 1 3 296.415 -0.441 20 0 CBADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495106982 919863605 /nfs/dbraw/zinc/86/36/05/919863605.db2.gz JKCQABIWGSYFIW-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001495106982 919863618 /nfs/dbraw/zinc/86/36/18/919863618.db2.gz JKCQABIWGSYFIW-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001495548978 919900494 /nfs/dbraw/zinc/90/04/94/919900494.db2.gz PGAMQTMTWATZIB-VXGBXAGGSA-N 1 3 255.362 -0.347 20 0 CBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495816254 919954625 /nfs/dbraw/zinc/95/46/25/919954625.db2.gz SDXCBHHAYCKMCD-CYBMUJFWSA-N 1 3 298.431 -0.099 20 0 CBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149916 920034806 /nfs/dbraw/zinc/03/48/06/920034806.db2.gz OXKJGVIBHGMJQL-JTQLQIEISA-N 1 3 258.366 -0.879 20 0 CBADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CN1CCCC1 ZINC001496230045 920047901 /nfs/dbraw/zinc/04/79/01/920047901.db2.gz PFTGMFKNWSZZIW-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(CCC1CCN(C(=O)CC[NH+](C)C)CC1)CC(N)=O ZINC001496509679 920079319 /nfs/dbraw/zinc/07/93/19/920079319.db2.gz XAKUZRSEGYNILS-UHFFFAOYSA-N 1 3 298.431 -0.016 20 0 CBADHO CNC(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001496560894 920087289 /nfs/dbraw/zinc/08/72/89/920087289.db2.gz FFGZVEYVDWUXHC-LBPRGKRZSA-N 1 3 298.431 -0.053 20 0 CBADHO C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001497207545 920269397 /nfs/dbraw/zinc/26/93/97/920269397.db2.gz YUTYXZZLGIEFBT-QWRGUYRKSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001497207547 920271602 /nfs/dbraw/zinc/27/16/02/920271602.db2.gz YUTYXZZLGIEFBT-WDEREUQCSA-N 1 3 284.404 -0.171 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383131 920297847 /nfs/dbraw/zinc/29/78/47/920297847.db2.gz GEXGSSDGLJQUSP-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497383131 920297851 /nfs/dbraw/zinc/29/78/51/920297851.db2.gz GEXGSSDGLJQUSP-CHWSQXEVSA-N 1 3 298.431 -0.147 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484035 920312795 /nfs/dbraw/zinc/31/27/95/920312795.db2.gz HKSDNLRWFUZONW-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497484035 920312811 /nfs/dbraw/zinc/31/28/11/920312811.db2.gz HKSDNLRWFUZONW-OLZOCXBDSA-N 1 3 298.431 -0.099 20 0 CBADHO CCN1CC[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)C1=O ZINC001497676305 920366453 /nfs/dbraw/zinc/36/64/53/920366453.db2.gz XNIXNYGAFJGVFJ-SZZPACECSA-N 1 3 296.415 -0.179 20 0 CBADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001497676469 920366593 /nfs/dbraw/zinc/36/65/93/920366593.db2.gz YZIINZJMYOOTFS-AAOUONPWSA-N 1 3 282.388 -0.521 20 0 CBADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498391769 920571700 /nfs/dbraw/zinc/57/17/00/920571700.db2.gz WCCGSWDSVIOAQE-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001498525968 920602608 /nfs/dbraw/zinc/60/26/08/920602608.db2.gz IFVPHALTRPRPKJ-STQMWFEESA-N 1 3 287.404 -0.474 20 0 CBADHO COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001498525967 920603706 /nfs/dbraw/zinc/60/37/06/920603706.db2.gz IFVPHALTRPRPKJ-QWHCGFSZSA-N 1 3 287.404 -0.474 20 0 CBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)C1 ZINC001498611792 920616382 /nfs/dbraw/zinc/61/63/82/920616382.db2.gz BGCAXZWPIGDOAE-STQMWFEESA-N 1 3 296.415 -0.345 20 0 CBADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001498654633 920624172 /nfs/dbraw/zinc/62/41/72/920624172.db2.gz DXFWUGAVCGSYOY-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001498817021 920644797 /nfs/dbraw/zinc/64/47/97/920644797.db2.gz JMXCQVQCNVTKNE-MFKMUULPSA-N 1 3 296.415 -0.314 20 0 CBADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001499427427 920747778 /nfs/dbraw/zinc/74/77/78/920747778.db2.gz ZWLUXZKXPGHDSJ-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001499916438 920784825 /nfs/dbraw/zinc/78/48/25/920784825.db2.gz PGAMQTMTWATZIB-NWDGAFQWSA-N 1 3 255.362 -0.347 20 0 CBADHO CCOCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500763241 920880397 /nfs/dbraw/zinc/88/03/97/920880397.db2.gz UCAIOBQLRONHEG-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO CCOCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500763241 920880412 /nfs/dbraw/zinc/88/04/12/920880412.db2.gz UCAIOBQLRONHEG-UKRRQHHQSA-N 1 3 299.415 -0.472 20 0 CBADHO CCOCCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500763239 920881856 /nfs/dbraw/zinc/88/18/56/920881856.db2.gz UCAIOBQLRONHEG-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO CCOCCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500763239 920881872 /nfs/dbraw/zinc/88/18/72/920881872.db2.gz UCAIOBQLRONHEG-DZGCQCFKSA-N 1 3 299.415 -0.472 20 0 CBADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051087 920941127 /nfs/dbraw/zinc/94/11/27/920941127.db2.gz RHAZTOSBRLUQJQ-NWDGAFQWSA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001501084379 920947784 /nfs/dbraw/zinc/94/77/84/920947784.db2.gz UTIZQMUUFGZJMA-VXGBXAGGSA-N 1 3 284.404 -0.360 20 0 CBADHO CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001507484494 921847199 /nfs/dbraw/zinc/84/71/99/921847199.db2.gz DMAOWYNVOLUBJW-LBPRGKRZSA-N 1 3 257.378 -0.101 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001521504005 922361863 /nfs/dbraw/zinc/36/18/63/922361863.db2.gz MODFWSQYOXATRU-RQJABVFESA-N 1 3 280.416 -0.277 20 0 CBADHO [NH3+]CCNCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001521482859 922362284 /nfs/dbraw/zinc/36/22/84/922362284.db2.gz WXSLEKANZBRKRT-UHFFFAOYSA-N 1 3 284.404 -0.895 20 0 CBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001521526732 922365416 /nfs/dbraw/zinc/36/54/16/922365416.db2.gz HCVJNHDRJBJDLX-LOWVWBTDSA-N 1 3 255.362 -0.300 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001523066078 922568693 /nfs/dbraw/zinc/56/86/93/922568693.db2.gz DTZXFGCQNWPWIT-XQQFMLRXSA-N 1 3 267.373 -0.177 20 0 CBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[C@H]1CNCCO1)C2 ZINC001523551757 922596167 /nfs/dbraw/zinc/59/61/67/922596167.db2.gz UZRXLRYGOZXPMB-USZNOCQGSA-N 1 3 253.346 -0.297 20 0 CBADHO [NH3+][C@@H]1C[C@@H](NC(=O)C[C@H]2CNCCO2)C12CCC2 ZINC001523605992 922602063 /nfs/dbraw/zinc/60/20/63/922602063.db2.gz RBHSKUPAUMTDBF-HBNTYKKESA-N 1 3 253.346 -0.249 20 0 CBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC001548554559 923374239 /nfs/dbraw/zinc/37/42/39/923374239.db2.gz ALELIQUXEOGOIG-ZANVPECISA-N 1 3 278.356 -0.118 20 0 CBADHO CN1CCNC[C@@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001548555177 923378356 /nfs/dbraw/zinc/37/83/56/923378356.db2.gz KNXZWZIFJBQOCT-SMDDNHRTSA-N 1 3 289.383 -0.260 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001548561235 923385322 /nfs/dbraw/zinc/38/53/22/923385322.db2.gz JLCFOSITKXTFTE-BFHYXJOUSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001548561237 923385412 /nfs/dbraw/zinc/38/54/12/923385412.db2.gz JLCFOSITKXTFTE-MELADBBJSA-N 1 3 280.416 -0.119 20 0 CBADHO C[C@H]1CC2(CN1C(=O)[C@H]1CNCCN1C)CC[NH2+]CC2 ZINC001548563068 923385653 /nfs/dbraw/zinc/38/56/53/923385653.db2.gz KGUQJDDOWMAGET-QWHCGFSZSA-N 1 3 280.416 -0.119 20 0 CBADHO CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]2)CC2(CNC2)O1 ZINC001548575968 923401273 /nfs/dbraw/zinc/40/12/73/923401273.db2.gz NVJQIJXWJMZODV-JTQLQIEISA-N 1 3 253.346 -0.282 20 0 CBADHO CC1(C)CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC2(CNC2)O1 ZINC001548577421 923402633 /nfs/dbraw/zinc/40/26/33/923402633.db2.gz FMSLDFVEJYSJEN-AOOOYVTPSA-N 1 3 253.346 -0.297 20 0 CBADHO COC[C@]1(C(=O)N2CC3(CNC3)OC(C)(C)C2)CC[NH2+]C1 ZINC001548579244 923402780 /nfs/dbraw/zinc/40/27/80/923402780.db2.gz RREPCFAXIHEKRA-AWEZNQCLSA-N 1 3 297.399 -0.408 20 0 CBADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CC2(CNC2)OC(C)(C)C1 ZINC001548578506 923403752 /nfs/dbraw/zinc/40/37/52/923403752.db2.gz MXDZDPHXFCRDMF-VHSXEESVSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CCN1C ZINC001548680112 923440801 /nfs/dbraw/zinc/44/08/01/923440801.db2.gz NFHSKVVAQIPSIA-CRWXNKLISA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CCN1C ZINC001548680112 923440809 /nfs/dbraw/zinc/44/08/09/923440809.db2.gz NFHSKVVAQIPSIA-CRWXNKLISA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)N1C ZINC001548711154 923469505 /nfs/dbraw/zinc/46/95/05/923469505.db2.gz SZNIFCNOOCJBAR-RQJABVFESA-N 1 3 280.416 -0.074 20 0 CBADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)N1C ZINC001548711154 923469514 /nfs/dbraw/zinc/46/95/14/923469514.db2.gz SZNIFCNOOCJBAR-RQJABVFESA-N 1 3 280.416 -0.074 20 0 CBADHO CCC[C@H](N)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549034392 923526807 /nfs/dbraw/zinc/52/68/07/923526807.db2.gz JMOFTYZXJSEAHD-WOPDTQHZSA-N 1 3 265.361 -0.199 20 0 CBADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549044280 923529030 /nfs/dbraw/zinc/52/90/30/923529030.db2.gz LROBAQDEHGQHBX-UBHSHLNASA-N 1 3 275.352 -0.288 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549046890 923543486 /nfs/dbraw/zinc/54/34/86/923543486.db2.gz BUZKIEMSSGTBCK-NEPJUHHUSA-N 1 3 280.376 -0.116 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)C3CC([NH3+])C3)C2)nn1 ZINC001549046836 923544269 /nfs/dbraw/zinc/54/42/69/923544269.db2.gz AOWHZXPLEPZEJO-RTYFJBAXSA-N 1 3 278.360 -0.362 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)nn1 ZINC001549046922 923544308 /nfs/dbraw/zinc/54/43/08/923544308.db2.gz CZAUTBFVFMSADS-YPMHNXCESA-N 1 3 296.350 -0.398 20 0 CBADHO CC[C@H](N)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549048904 923546061 /nfs/dbraw/zinc/54/60/61/923546061.db2.gz VACRJGSWQBUPSU-OUAUKWLOSA-N 1 3 251.334 -0.590 20 0 CBADHO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001549292993 923579735 /nfs/dbraw/zinc/57/97/35/923579735.db2.gz GRPUOTHOKRIWJA-VXGBXAGGSA-N 1 3 280.376 -0.102 20 0 CBADHO NCc1cn([C@@H]2CCCN(C(=O)CC3([NH3+])CC3)C2)nn1 ZINC001549293336 923580332 /nfs/dbraw/zinc/58/03/32/923580332.db2.gz MNNUZYLCWOYNON-LLVKDONJSA-N 1 3 278.360 -0.218 20 0 CBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001549295121 923585432 /nfs/dbraw/zinc/58/54/32/923585432.db2.gz FCAQHQUVJULAHZ-QNWHQSFQSA-N 1 3 267.373 -0.158 20 0 CBADHO C[C@@H](N)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549725782 923630561 /nfs/dbraw/zinc/63/05/61/923630561.db2.gz DGAMGAHFFIDZGE-NXEZZACHSA-N 1 3 263.345 -0.418 20 0 CBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550094919 923677856 /nfs/dbraw/zinc/67/78/56/923677856.db2.gz ANRGWADXFODLIE-MNOVXSKESA-N 1 3 278.360 -0.492 20 0 CBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550094938 923678094 /nfs/dbraw/zinc/67/80/94/923678094.db2.gz ANRGWADXFODLIE-WDEREUQCSA-N 1 3 278.360 -0.492 20 0 CBADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550094809 923678244 /nfs/dbraw/zinc/67/82/44/923678244.db2.gz AGHIVKZEHHCJEY-BXKDBHETSA-N 1 3 278.360 -0.349 20 0 CBADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC001550096929 923679055 /nfs/dbraw/zinc/67/90/55/923679055.db2.gz SCRAFMQCAKFVNB-YPMHNXCESA-N 1 3 292.387 -0.100 20 0 CBADHO CC[NH2+][C@@H](C)C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096109 923679218 /nfs/dbraw/zinc/67/92/18/923679218.db2.gz VTRRNYGJHKZMIP-ONGXEEELSA-N 1 3 266.349 -0.492 20 0 CBADHO C[C@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC001550094645 923679769 /nfs/dbraw/zinc/67/97/69/923679769.db2.gz XQADHHABHPWCPB-OCCSQVGLSA-N 1 3 292.387 -0.100 20 0 CBADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(CCC[NH3+])nn1 ZINC001550122418 923694574 /nfs/dbraw/zinc/69/45/74/923694574.db2.gz GHHINTHBZNZVKA-STQMWFEESA-N 1 3 292.387 -0.064 20 0 CBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001550186582 923706297 /nfs/dbraw/zinc/70/62/97/923706297.db2.gz IMMGPSFNZMWZFZ-UMSGYPCISA-N 1 3 285.388 -0.295 20 0 CBADHO CO[C@H](CN)C(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550188049 923706361 /nfs/dbraw/zinc/70/63/61/923706361.db2.gz ZKPGZUDGOKJHOV-FRRDWIJNSA-N 1 3 263.341 -0.168 20 0 CBADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550188412 923707989 /nfs/dbraw/zinc/70/79/89/923707989.db2.gz WQXYEANEWHEMLG-RYUDHWBXSA-N 1 3 292.387 -0.244 20 0 CBADHO CO[C@H](CN)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001550189488 923708231 /nfs/dbraw/zinc/70/82/31/923708231.db2.gz ZJOWCUMOGDPAKK-GFCCVEGCSA-N 1 3 265.313 -0.156 20 0 CBADHO C[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550197568 923709825 /nfs/dbraw/zinc/70/98/25/923709825.db2.gz KHUIACYGNKBYEP-NSHDSACASA-N 1 3 282.388 -0.334 20 0 CBADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H](N)CC3CC3)C[C@@H]2[NH3+])c1 ZINC001550196631 923709993 /nfs/dbraw/zinc/70/99/93/923709993.db2.gz YDFDGVREBFGLQL-WOPDTQHZSA-N 1 3 277.372 -0.199 20 0 CBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCNC[C@H](O)C1 ZINC001550751492 923748442 /nfs/dbraw/zinc/74/84/42/923748442.db2.gz TZJCGTQMUAHQCG-WVMKXHBISA-N 1 3 282.388 -0.507 20 0 CBADHO CO[C@H](CN)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551460551 923796521 /nfs/dbraw/zinc/79/65/21/923796521.db2.gz AKXMHBSIWWNHQP-LLVKDONJSA-N 1 3 271.361 -0.669 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)NC2CC3(C[C@H]3[NH3+])C2)CCO1 ZINC001551595552 923809645 /nfs/dbraw/zinc/80/96/45/923809645.db2.gz ULOMKGXNUBGJQQ-MRFPXMQZSA-N 1 3 282.388 -0.162 20 0 CBADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1CNCCO1)C2 ZINC001552185052 923847234 /nfs/dbraw/zinc/84/72/34/923847234.db2.gz OUUMBDVWAMLZCQ-DYEKYZERSA-N 1 3 282.388 -0.255 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199767 923855546 /nfs/dbraw/zinc/85/55/46/923855546.db2.gz DASQMPGYHLQMAI-UQFNBPPOSA-N 1 3 279.384 -0.179 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201732 923859683 /nfs/dbraw/zinc/85/96/83/923859683.db2.gz VDHBHXYCATYHIM-GZBFAFLISA-N 1 3 297.399 -0.551 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCN1 ZINC001552203098 923861887 /nfs/dbraw/zinc/86/18/87/923861887.db2.gz VRHGNPRFXRSGIC-SGMGOOAPSA-N 1 3 267.373 -0.321 20 0 CBADHO CN(C(=O)[C@@]12C[NH2+]C[C@H]1COC2)[C@H]1CCN(C)C1 ZINC001552215363 923868480 /nfs/dbraw/zinc/86/84/80/923868480.db2.gz FZDJDOBDQHITEV-GMXVVIOVSA-N 1 3 253.346 -0.615 20 0 CBADHO N[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@@H]1F ZINC001552440464 923910161 /nfs/dbraw/zinc/91/01/61/923910161.db2.gz VJTNQYSNAMUDFR-WDEREUQCSA-N 1 3 296.350 -0.286 20 0 CBADHO N[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[C@H]1F ZINC001552440460 923910981 /nfs/dbraw/zinc/91/09/81/923910981.db2.gz VJTNQYSNAMUDFR-GHMZBOCLSA-N 1 3 296.350 -0.286 20 0 CBADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCN1 ZINC001553405806 923976927 /nfs/dbraw/zinc/97/69/27/923976927.db2.gz DRAOVYSLRXXMFS-VOAKCMCISA-N 1 3 267.373 -0.038 20 0 CBADHO O=C(NCCN1CCCC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553405764 923977182 /nfs/dbraw/zinc/97/71/82/923977182.db2.gz GXPYTEVVFXUFEP-WOPDTQHZSA-N 1 3 253.346 -0.282 20 0 CBADHO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC001553404599 923978732 /nfs/dbraw/zinc/97/87/32/923978732.db2.gz AWUSKIYRIQOWQR-CYDGBPFRSA-N 1 3 265.357 -0.188 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553408991 923983278 /nfs/dbraw/zinc/98/32/78/923983278.db2.gz KLQWPIMCEBBGNJ-NDBYEHHHSA-N 1 3 283.372 -0.705 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553408992 923984824 /nfs/dbraw/zinc/98/48/24/923984824.db2.gz KLQWPIMCEBBGNJ-VOAKCMCISA-N 1 3 283.372 -0.705 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412114 923987036 /nfs/dbraw/zinc/98/70/36/923987036.db2.gz TWIQDPHNWOKRON-HZSPNIEDSA-N 1 3 296.415 -0.741 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412120 923988085 /nfs/dbraw/zinc/98/80/85/923988085.db2.gz TWIQDPHNWOKRON-IHRRRGAJSA-N 1 3 296.415 -0.741 20 0 CBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553414631 923991397 /nfs/dbraw/zinc/99/13/97/923991397.db2.gz RHEYGSXVOIJATK-PEBLQZBPSA-N 1 3 295.383 -0.515 20 0 CBADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553499091 924013270 /nfs/dbraw/zinc/01/32/70/924013270.db2.gz YENKTIIHVSXNNC-RDBSUJKOSA-N 1 3 296.415 -0.021 20 0 CBADHO [NH3+][C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC001553497440 924013799 /nfs/dbraw/zinc/01/37/99/924013799.db2.gz PUUQNUWJTDJNMK-MCIONIFRSA-N 1 3 296.415 -0.036 20 0 CBADHO [NH3+][C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC12CCC2 ZINC001553500844 924014294 /nfs/dbraw/zinc/01/42/94/924014294.db2.gz DWOHQBBVOBWRFF-QWRGUYRKSA-N 1 3 268.361 -0.502 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553500771 924014485 /nfs/dbraw/zinc/01/44/85/924014485.db2.gz GZSACTSGUOPQSM-CYDGBPFRSA-N 1 3 284.404 -0.037 20 0 CBADHO O=C(NC[C@H]1CNCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553505183 924015324 /nfs/dbraw/zinc/01/53/24/924015324.db2.gz SAKCLNFQXHTTFO-OCCSQVGLSA-N 1 3 282.388 -0.098 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553506979 924016768 /nfs/dbraw/zinc/01/67/68/924016768.db2.gz OVUIJVLYETUSMF-JHJVBQTASA-N 1 3 282.388 -0.411 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553505217 924018021 /nfs/dbraw/zinc/01/80/21/924018021.db2.gz SLGWJHCNGQJKIC-LBPRGKRZSA-N 1 3 282.388 -0.194 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553510560 924019145 /nfs/dbraw/zinc/01/91/45/924019145.db2.gz QNVRVKACHWPFPS-AVGNSLFASA-N 1 3 284.404 -0.165 20 0 CBADHO [NH3+]C1CC(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553513007 924019901 /nfs/dbraw/zinc/01/99/01/924019901.db2.gz KTQXBTRUCFIQBM-NWINJMCUSA-N 1 3 296.415 -0.036 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553516122 924021248 /nfs/dbraw/zinc/02/12/48/924021248.db2.gz ZAGJWHMBOCDDBW-YNEHKIRRSA-N 1 3 284.404 -0.036 20 0 CBADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553517618 924023812 /nfs/dbraw/zinc/02/38/12/924023812.db2.gz MMNXDVNNEQHWGZ-XDQVBPFNSA-N 1 3 296.415 -0.023 20 0 CBADHO [NH3+]CC1CC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553537179 924029478 /nfs/dbraw/zinc/02/94/78/924029478.db2.gz FUGUJBNRVSXLLO-HOAMVYINSA-N 1 3 296.415 -0.036 20 0 CBADHO CN1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000337587847 214169807 /nfs/dbraw/zinc/16/98/07/214169807.db2.gz AZEMXVPPCZTCCR-ZDUSSCGKSA-N 1 3 272.393 -0.308 20 0 CBADHO CN(C)C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000343842023 282138582 /nfs/dbraw/zinc/13/85/82/282138582.db2.gz AIBLOBXFOFDHLD-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO CN1CCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337413045 282142003 /nfs/dbraw/zinc/14/20/03/282142003.db2.gz ODIBBGVFLHVPFS-WCQYABFASA-N 1 3 272.393 -0.308 20 0 CBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCCNCC1 ZINC000337830979 214278507 /nfs/dbraw/zinc/27/85/07/214278507.db2.gz ZBTZRXQFWMODKM-UHFFFAOYSA-N 1 3 270.377 -0.734 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)C[NH+](C)C ZINC000126059270 187214364 /nfs/dbraw/zinc/21/43/64/187214364.db2.gz QDBBMNKPASQKDK-LBPRGKRZSA-N 1 3 286.420 -0.210 20 0 CBADHO CN(C)[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000332137468 282200629 /nfs/dbraw/zinc/20/06/29/282200629.db2.gz LLJDNHKYHGDQKJ-NWDGAFQWSA-N 1 3 292.387 -0.021 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([NH+](C)C)CC1 ZINC000126130395 187218789 /nfs/dbraw/zinc/21/87/89/187218789.db2.gz NPTUZWLLGQNFHW-ZDUSSCGKSA-N 1 3 284.404 -0.362 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[NH+](C)C ZINC000126236946 187226202 /nfs/dbraw/zinc/22/62/02/187226202.db2.gz PZRRCKRNZSFEHQ-NSHDSACASA-N 1 3 272.393 -0.458 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000126266597 187228298 /nfs/dbraw/zinc/22/82/98/187228298.db2.gz YKHRRUBZSFVBOD-JQWIXIFHSA-N 1 3 272.393 -0.458 20 0 CBADHO CO[C@H](CN)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000573443099 334938226 /nfs/dbraw/zinc/93/82/26/334938226.db2.gz ZMNUQAIKWNFUBY-GFCCVEGCSA-N 1 3 255.362 -0.049 20 0 CBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(C2CC2)C1 ZINC000351515876 219110865 /nfs/dbraw/zinc/11/08/65/219110865.db2.gz DCZACLWHIQSAAY-PWSUYJOCSA-N 1 3 280.372 -0.793 20 0 CBADHO CC1CCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351532992 219118080 /nfs/dbraw/zinc/11/80/80/219118080.db2.gz ABJVLOCESDCYQC-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419895497 282445154 /nfs/dbraw/zinc/44/51/54/282445154.db2.gz OXELPAKESNCDBP-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCOCC2)C1 ZINC000351853187 219227358 /nfs/dbraw/zinc/22/73/58/219227358.db2.gz OERWMTWVSIMAIB-VXGBXAGGSA-N 1 3 255.362 -0.096 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000352003312 219283960 /nfs/dbraw/zinc/28/39/60/219283960.db2.gz LCFQWBFGBLVEKW-WCQYABFASA-N 1 3 286.420 -0.082 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091300373 180127735 /nfs/dbraw/zinc/12/77/35/180127735.db2.gz VISVJCYAWHDIRU-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000091300373 180127739 /nfs/dbraw/zinc/12/77/39/180127739.db2.gz VISVJCYAWHDIRU-NWDGAFQWSA-N 1 3 255.362 -0.177 20 0 CBADHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668158 180223844 /nfs/dbraw/zinc/22/38/44/180223844.db2.gz BNXRJKWPXBCNNV-UTUOFQBUSA-N 1 3 255.362 -0.051 20 0 CBADHO O=C(C[NH2+]CC1CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668196 180223863 /nfs/dbraw/zinc/22/38/63/180223863.db2.gz MDRUUKSDCNKWIS-OLZOCXBDSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000092135648 180332452 /nfs/dbraw/zinc/33/24/52/180332452.db2.gz WUECPPSNZMAXAD-LBPRGKRZSA-N 1 3 256.394 -0.404 20 0 CBADHO COC[C@]1(CNC(=O)C[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000573844216 334970998 /nfs/dbraw/zinc/97/09/98/334970998.db2.gz QYGKOPBJKPOHCP-DGCLKSJQSA-N 1 3 271.361 -0.750 20 0 CBADHO C[C@H]([NH3+])C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000110651039 186310646 /nfs/dbraw/zinc/31/06/46/186310646.db2.gz IMULVJMAOQBKJK-JTQLQIEISA-N 1 3 280.372 -0.357 20 0 CBADHO C[C@H]([NH3+])CCC(=O)NCCCN1CCN(C)CC1 ZINC000070317398 351638768 /nfs/dbraw/zinc/63/87/68/351638768.db2.gz SIMVTQICRSBWGC-LBPRGKRZSA-N 1 3 256.394 -0.133 20 0 CBADHO CSCC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083441357 351714893 /nfs/dbraw/zinc/71/48/93/351714893.db2.gz DOLDCTFILSJMOB-JTQLQIEISA-N 1 3 260.407 -0.912 20 0 CBADHO COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213029 351786557 /nfs/dbraw/zinc/78/65/57/351786557.db2.gz AEEVCIDXMZOYDG-NWDGAFQWSA-N 1 3 285.388 -0.253 20 0 CBADHO CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000119367128 351833268 /nfs/dbraw/zinc/83/32/68/351833268.db2.gz XFQQLTOJLXGDLE-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000119367128 351833271 /nfs/dbraw/zinc/83/32/71/351833271.db2.gz XFQQLTOJLXGDLE-STQMWFEESA-N 1 3 296.415 -0.251 20 0 CBADHO CC(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000112904029 351811309 /nfs/dbraw/zinc/81/13/09/351811309.db2.gz XKECNRMJKHUROT-NSHDSACASA-N 1 3 272.393 -0.537 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nccnc1N ZINC000114688167 351817844 /nfs/dbraw/zinc/81/78/44/351817844.db2.gz VJXLHDCUMBNXQJ-UHFFFAOYSA-N 1 3 280.376 -0.376 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000126426214 351860770 /nfs/dbraw/zinc/86/07/70/351860770.db2.gz GQWLVCPTDNYAOC-DYEKYZERSA-N 1 3 296.415 -0.219 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000126426214 351860771 /nfs/dbraw/zinc/86/07/71/351860771.db2.gz GQWLVCPTDNYAOC-DYEKYZERSA-N 1 3 296.415 -0.219 20 0 CBADHO C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000120663576 351842001 /nfs/dbraw/zinc/84/20/01/351842001.db2.gz PPAHFADLJADVDX-LLVKDONJSA-N 1 3 270.377 -0.926 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000129980443 351876127 /nfs/dbraw/zinc/87/61/27/351876127.db2.gz BFVWIMLNGNXDCY-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](CN)C1 ZINC000136809222 351920725 /nfs/dbraw/zinc/92/07/25/351920725.db2.gz ATMZFJLGBBTDHT-RYUDHWBXSA-N 1 3 266.389 -0.523 20 0 CBADHO CCN(C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131279919 351884950 /nfs/dbraw/zinc/88/49/50/351884950.db2.gz BXEXSQYTBGWEDA-UHFFFAOYSA-N 1 3 256.394 -0.262 20 0 CBADHO C[C@@H](CNC(=O)NCC[NH+](C)C)CN1CCN(C)CC1 ZINC000133756224 351901028 /nfs/dbraw/zinc/90/10/28/351901028.db2.gz FGWWYYFGAMJTNL-ZDUSSCGKSA-N 1 3 285.436 -0.269 20 0 CBADHO CN1CCN(C(=O)CCC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000154530138 351947012 /nfs/dbraw/zinc/94/70/12/351947012.db2.gz SOFZXLKJGCMHPX-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000171202292 352009137 /nfs/dbraw/zinc/00/91/37/352009137.db2.gz ALQDHCOQMZPTRQ-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000171202292 352009140 /nfs/dbraw/zinc/00/91/40/352009140.db2.gz ALQDHCOQMZPTRQ-LBPRGKRZSA-N 1 3 272.393 -0.042 20 0 CBADHO C[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000157556322 351956571 /nfs/dbraw/zinc/95/65/71/351956571.db2.gz GEPKTJBGXZSCEK-QWRGUYRKSA-N 1 3 268.361 -0.901 20 0 CBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000158559257 351958875 /nfs/dbraw/zinc/95/88/75/351958875.db2.gz PCGANMCJTUBJLG-TUAOUCFPSA-N 1 3 255.362 -0.001 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158920276 351960530 /nfs/dbraw/zinc/96/05/30/351960530.db2.gz ZJTVMXBSPSLQSI-GXTWGEPZSA-N 1 3 267.373 -0.033 20 0 CBADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000160732609 351970961 /nfs/dbraw/zinc/97/09/61/351970961.db2.gz CYVHHKNBYGNYAW-GFCCVEGCSA-N 1 3 255.362 -0.441 20 0 CBADHO CC(C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000163500661 351981692 /nfs/dbraw/zinc/98/16/92/351981692.db2.gz RFMRFMCDPMEALL-BBBLOLIVSA-N 1 3 262.375 -0.137 20 0 CBADHO C[NH2+]C[C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167411065 351989786 /nfs/dbraw/zinc/98/97/86/351989786.db2.gz PBMDIXFAKDDXIE-ZDUSSCGKSA-N 1 3 296.415 -0.392 20 0 CBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000167719731 351990373 /nfs/dbraw/zinc/99/03/73/351990373.db2.gz WSZYDKIQQXMSQB-WXHSDQCUSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H](O)CN1 ZINC000167719731 351990376 /nfs/dbraw/zinc/99/03/76/351990376.db2.gz WSZYDKIQQXMSQB-WXHSDQCUSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H](O)CN1 ZINC000167719731 351990380 /nfs/dbraw/zinc/99/03/80/351990380.db2.gz WSZYDKIQQXMSQB-WXHSDQCUSA-N 1 3 267.373 -0.158 20 0 CBADHO COCCNCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186496164 352127550 /nfs/dbraw/zinc/12/75/50/352127550.db2.gz DMOJZUIOQFROEW-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178872211 352084734 /nfs/dbraw/zinc/08/47/34/352084734.db2.gz QUFGQCHJEMDUEH-CYBMUJFWSA-N 1 3 272.368 -0.558 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000178877572 352084769 /nfs/dbraw/zinc/08/47/69/352084769.db2.gz RQMNTPSSCKZQRK-ZIAGYGMSSA-N 1 3 282.432 -0.014 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[NH2+]CCOC)C1(C)C ZINC000188286356 352150406 /nfs/dbraw/zinc/15/04/06/352150406.db2.gz NPUIOIFBDMZTIS-BXUZGUMPSA-N 1 3 287.404 -0.129 20 0 CBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000192109280 352196368 /nfs/dbraw/zinc/19/63/68/352196368.db2.gz KECHHPURGIUMHY-STQMWFEESA-N 1 3 296.415 -0.264 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000187945771 352143858 /nfs/dbraw/zinc/14/38/58/352143858.db2.gz CRPUFNTYYUQARS-ADEWGFFLSA-N 1 3 255.362 -0.038 20 0 CBADHO C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)[NH3+] ZINC000192109285 352196610 /nfs/dbraw/zinc/19/66/10/352196610.db2.gz KECHHPURGIUMHY-OLZOCXBDSA-N 1 3 296.415 -0.264 20 0 CBADHO C[C@H]([NH3+])CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000193310234 352204342 /nfs/dbraw/zinc/20/43/42/352204342.db2.gz HVEWZBZQLQBMAB-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227575452 352257942 /nfs/dbraw/zinc/25/79/42/352257942.db2.gz WFNRVPCCBONVLC-AAEUAGOBSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227575452 352257945 /nfs/dbraw/zinc/25/79/45/352257945.db2.gz WFNRVPCCBONVLC-AAEUAGOBSA-N 1 3 267.373 -0.035 20 0 CBADHO COCC1(C(=O)NCCOCCN(C)C)CC[NH2+]CC1 ZINC000234607859 352283451 /nfs/dbraw/zinc/28/34/51/352283451.db2.gz PPDWEJYGISWMGB-UHFFFAOYSA-N 1 3 287.404 -0.303 20 0 CBADHO CC(C)[C@@H](C(=O)NCCCN1CC[NH2+]CC1)N(C)C ZINC000236710977 352293289 /nfs/dbraw/zinc/29/32/89/352293289.db2.gz ZCPGXOUOEXIWKK-ZDUSSCGKSA-N 1 3 270.421 -0.016 20 0 CBADHO C[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000237080777 352298706 /nfs/dbraw/zinc/29/87/06/352298706.db2.gz HUWUWKVINBMJTA-LBPRGKRZSA-N 1 3 296.415 -0.393 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[NH3+])CC1=O ZINC000237155426 352300333 /nfs/dbraw/zinc/30/03/33/352300333.db2.gz DANMPGRZGJJJKE-NSHDSACASA-N 1 3 270.377 -0.748 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)CC1=O ZINC000237161127 352300489 /nfs/dbraw/zinc/30/04/89/352300489.db2.gz SFQIHRZFYCHIAR-NWDGAFQWSA-N 1 3 282.388 -0.750 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1=O ZINC000237162443 352300791 /nfs/dbraw/zinc/30/07/91/352300791.db2.gz GMLUSGLJPFQQAQ-ABAIWWIYSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237403415 352303774 /nfs/dbraw/zinc/30/37/74/352303774.db2.gz ALVKKSJVEJIYPR-JHJVBQTASA-N 1 3 296.415 -0.265 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237666211 352308253 /nfs/dbraw/zinc/30/82/53/352308253.db2.gz OSAURQQLFGKNPN-RQJABVFESA-N 1 3 299.415 -0.285 20 0 CBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000237666709 352308478 /nfs/dbraw/zinc/30/84/78/352308478.db2.gz OSAURQQLFGKNPN-XJFOESAGSA-N 1 3 299.415 -0.285 20 0 CBADHO NC[C@H](C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000237816709 352310002 /nfs/dbraw/zinc/31/00/02/352310002.db2.gz ASTJUEPRWIYPTE-AWEZNQCLSA-N 1 3 276.384 -0.250 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000261889882 352399458 /nfs/dbraw/zinc/39/94/58/352399458.db2.gz VFIPRVQYAMSXDE-UPJWGTAASA-N 1 3 296.415 -0.408 20 0 CBADHO COC[C@]1(C(=O)NCCN(C)C2CC2)CC[NH2+]C1 ZINC000261585220 352390089 /nfs/dbraw/zinc/39/00/89/352390089.db2.gz SVXZWYPONAOWMQ-ZDUSSCGKSA-N 1 3 255.362 -0.177 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262523150 352425390 /nfs/dbraw/zinc/42/53/90/352425390.db2.gz YJORDPPBDUXNFN-NSHDSACASA-N 1 3 282.388 -0.735 20 0 CBADHO CCN1CCN(CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000262525598 352425453 /nfs/dbraw/zinc/42/54/53/352425453.db2.gz KTCUPYWOPGGNEL-NWDGAFQWSA-N 1 3 256.394 -0.277 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000262525600 352425724 /nfs/dbraw/zinc/42/57/24/352425724.db2.gz KTCUPYWOPGGNEL-VXGBXAGGSA-N 1 3 256.394 -0.277 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1=O ZINC000262595691 352427567 /nfs/dbraw/zinc/42/75/67/352427567.db2.gz USKRJQIBLVKVJH-STQMWFEESA-N 1 3 296.415 -0.488 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1=O ZINC000262595689 352427766 /nfs/dbraw/zinc/42/77/66/352427766.db2.gz USKRJQIBLVKVJH-OLZOCXBDSA-N 1 3 296.415 -0.488 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000263225768 352439721 /nfs/dbraw/zinc/43/97/21/352439721.db2.gz GKTKIZGIMSQYNI-QKCSRTOESA-N 1 3 296.415 -0.315 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000263225768 352439724 /nfs/dbraw/zinc/43/97/24/352439724.db2.gz GKTKIZGIMSQYNI-QKCSRTOESA-N 1 3 296.415 -0.315 20 0 CBADHO C[N@H+](CCC(=O)N1CCNCC1)[C@@H]1CCN(C2CC2)C1 ZINC000262067686 352405128 /nfs/dbraw/zinc/40/51/28/352405128.db2.gz JQONSCFGSZNJQX-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@@H+](CCC(=O)N1CCNCC1)[C@@H]1CCN(C2CC2)C1 ZINC000262067686 352405131 /nfs/dbraw/zinc/40/51/31/352405131.db2.gz JQONSCFGSZNJQX-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(CCC(=O)N1CCNCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262067686 352405133 /nfs/dbraw/zinc/40/51/33/352405133.db2.gz JQONSCFGSZNJQX-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO CN(CCC(=O)N1CCNCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262067686 352405136 /nfs/dbraw/zinc/40/51/36/352405136.db2.gz JQONSCFGSZNJQX-CQSZACIVSA-N 1 3 280.416 -0.023 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C1=CC[N@H+](C)CC1 ZINC000289555196 352663919 /nfs/dbraw/zinc/66/39/19/352663919.db2.gz IRRRASCJDQYWCB-GFCCVEGCSA-N 1 3 296.415 -0.227 20 0 CBADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C1=CC[N@@H+](C)CC1 ZINC000289555196 352663924 /nfs/dbraw/zinc/66/39/24/352663924.db2.gz IRRRASCJDQYWCB-GFCCVEGCSA-N 1 3 296.415 -0.227 20 0 CBADHO CN1CC[C@@]2(CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC000292843014 352685937 /nfs/dbraw/zinc/68/59/37/352685937.db2.gz SIBZWTIBWWQLGF-OAHLLOKOSA-N 1 3 292.383 -0.388 20 0 CBADHO 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O=C(NCCNc1cc[nH+]cc1)[C@H]1CN2CCN1CCC2 ZINC000343199419 353259440 /nfs/dbraw/zinc/25/94/40/353259440.db2.gz BBTHONJFQQLGRM-CQSZACIVSA-N 1 3 289.383 -0.579 20 0 CBADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343226936 353261077 /nfs/dbraw/zinc/26/10/77/353261077.db2.gz QDUYLTATXLPZFM-QWHCGFSZSA-N 1 3 266.389 -0.556 20 0 CBADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343226936 353261079 /nfs/dbraw/zinc/26/10/79/353261079.db2.gz QDUYLTATXLPZFM-QWHCGFSZSA-N 1 3 266.389 -0.556 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000343294876 353265447 /nfs/dbraw/zinc/26/54/47/353265447.db2.gz KBDWCILOUBVSBE-CYBMUJFWSA-N 1 3 296.415 -0.251 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343310231 353266748 /nfs/dbraw/zinc/26/67/48/353266748.db2.gz MXKUVCCCJCMOBG-NSHDSACASA-N 1 3 284.404 -0.347 20 0 CBADHO CC[C@H](C)[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343611881 353280962 /nfs/dbraw/zinc/28/09/62/353280962.db2.gz 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353370943 /nfs/dbraw/zinc/37/09/43/353370943.db2.gz NXFKHWUXNBPOPL-ZBFHGGJFSA-N 1 3 292.427 -0.070 20 0 CBADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)C1 ZINC000346325498 353371054 /nfs/dbraw/zinc/37/10/54/353371054.db2.gz NXFKHWUXNBPOPL-GDBMZVCRSA-N 1 3 292.427 -0.070 20 0 CBADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)C1 ZINC000346325498 353371057 /nfs/dbraw/zinc/37/10/57/353371057.db2.gz NXFKHWUXNBPOPL-GDBMZVCRSA-N 1 3 292.427 -0.070 20 0 CBADHO CCN1CCN(CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006985 353445014 /nfs/dbraw/zinc/44/50/14/353445014.db2.gz UTXWQGRPFNEORR-UHFFFAOYSA-N 1 3 298.431 -0.491 20 0 CBADHO Cc1nccn1CCC[N@@H+](C)CC(=O)N1CCNCC1 ZINC000348755049 353433261 /nfs/dbraw/zinc/43/32/61/353433261.db2.gz FFKCIARIFVEDNA-UHFFFAOYSA-N 1 3 279.388 -0.055 20 0 CBADHO Cc1nccn1CCC[N@H+](C)CC(=O)N1CCNCC1 ZINC000348755049 353433263 /nfs/dbraw/zinc/43/32/63/353433263.db2.gz FFKCIARIFVEDNA-UHFFFAOYSA-N 1 3 279.388 -0.055 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000351556397 353475971 /nfs/dbraw/zinc/47/59/71/353475971.db2.gz NZOLKQFZOQUPAO-NTZNESFSSA-N 1 3 294.399 -0.404 20 0 CBADHO CN(CCOCC[N@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353027058 353517966 /nfs/dbraw/zinc/51/79/66/353517966.db2.gz WFOIXYVBACFMTL-UHFFFAOYSA-N 1 3 272.389 -0.084 20 0 CBADHO CN(CCOCC[N@@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353027058 353517968 /nfs/dbraw/zinc/51/79/68/353517968.db2.gz WFOIXYVBACFMTL-UHFFFAOYSA-N 1 3 272.389 -0.084 20 0 CBADHO CN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1)C1CC1 ZINC000354652654 353574698 /nfs/dbraw/zinc/57/46/98/353574698.db2.gz DRDYMMAJKJDXLR-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354669542 353576895 /nfs/dbraw/zinc/57/68/95/353576895.db2.gz IIAMQWRLEQJDOK-NWDGAFQWSA-N 1 3 282.388 -0.545 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000354688542 353578084 /nfs/dbraw/zinc/57/80/84/353578084.db2.gz JCYWPWZNTVAMBJ-GFCCVEGCSA-N 1 3 282.388 -0.543 20 0 CBADHO CCN(CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000354705216 353579669 /nfs/dbraw/zinc/57/96/69/353579669.db2.gz FYNKLWRRELPGPU-CYBMUJFWSA-N 1 3 296.415 -0.155 20 0 CBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000354721019 353580269 /nfs/dbraw/zinc/58/02/69/353580269.db2.gz YDOLHFBTJIXITA-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO CCCN(C)CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354715291 353580399 /nfs/dbraw/zinc/58/03/99/353580399.db2.gz SRKRKBJYKTZVLL-UHFFFAOYSA-N 1 3 257.378 -0.099 20 0 CBADHO COCCN1CC[C@@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358119592 353627623 /nfs/dbraw/zinc/62/76/23/353627623.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 1 3 257.378 -0.637 20 0 CBADHO COCCN1CC[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119592 353627627 /nfs/dbraw/zinc/62/76/27/353627627.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 1 3 257.378 -0.637 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358504444 353648279 /nfs/dbraw/zinc/64/82/79/353648279.db2.gz ROESMUNFMNSARP-CMPLNLGQSA-N 1 3 258.366 -0.698 20 0 CBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357937469 353615953 /nfs/dbraw/zinc/61/59/53/353615953.db2.gz WSZYDKIQQXMSQB-KGYLQXTDSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H](O)CN1 ZINC000357937469 353615956 /nfs/dbraw/zinc/61/59/56/353615956.db2.gz WSZYDKIQQXMSQB-KGYLQXTDSA-N 1 3 267.373 -0.158 20 0 CBADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H](O)CN1 ZINC000357937469 353615958 /nfs/dbraw/zinc/61/59/58/353615958.db2.gz WSZYDKIQQXMSQB-KGYLQXTDSA-N 1 3 267.373 -0.158 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000361710740 353663139 /nfs/dbraw/zinc/66/31/39/353663139.db2.gz LYIKCFLSELIPDW-ZIAGYGMSSA-N 1 3 280.416 -0.166 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)CC[NH3+])CC2)C1 ZINC000361711930 353663454 /nfs/dbraw/zinc/66/34/54/353663454.db2.gz XCZYVUIPHFTQEZ-GFCCVEGCSA-N 1 3 254.378 -0.426 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)C1 ZINC000365091151 353673026 /nfs/dbraw/zinc/67/30/26/353673026.db2.gz MQJZNYXTXPBOES-IRCOFANPSA-N 1 3 287.429 -0.133 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N(C)C ZINC000367700647 353682975 /nfs/dbraw/zinc/68/29/75/353682975.db2.gz WTWCYCPSVMXNJJ-OLZOCXBDSA-N 1 3 268.405 -0.167 20 0 CBADHO CC[N@H+](CCNC(=O)[C@@H]1CN2CCN1CCC2)C1CC1 ZINC000371345852 353700680 /nfs/dbraw/zinc/70/06/80/353700680.db2.gz SUTVTFACFARAFZ-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO CC[N@@H+](CCNC(=O)[C@@H]1CN2CCN1CCC2)C1CC1 ZINC000371345852 353700682 /nfs/dbraw/zinc/70/06/82/353700682.db2.gz SUTVTFACFARAFZ-AWEZNQCLSA-N 1 3 280.416 -0.023 20 0 CBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(N)CC3)CC2)C1 ZINC000372099321 353710788 /nfs/dbraw/zinc/71/07/88/353710788.db2.gz SYOFMWSARARNFY-LBPRGKRZSA-N 1 3 266.389 -0.284 20 0 CBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(N)CC3)CC2)C1 ZINC000372099321 353710791 /nfs/dbraw/zinc/71/07/91/353710791.db2.gz SYOFMWSARARNFY-LBPRGKRZSA-N 1 3 266.389 -0.284 20 0 CBADHO C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370567 353715584 /nfs/dbraw/zinc/71/55/84/353715584.db2.gz RHZAOOBIHCVSNX-WCQYABFASA-N 1 3 268.405 -0.040 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000372505865 353717718 /nfs/dbraw/zinc/71/77/18/353717718.db2.gz NEJOWYJTWXIPQL-OUCADQQQSA-N 1 3 267.373 -0.177 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372914854 353724428 /nfs/dbraw/zinc/72/44/28/353724428.db2.gz YCGVRGSVGDZQPQ-SDDRHHMPSA-N 1 3 255.362 -0.300 20 0 CBADHO C[C@H](O)COC(=O)CC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000375627729 353764867 /nfs/dbraw/zinc/76/48/67/353764867.db2.gz KKYQIMXYSNEXOT-SDDRHHMPSA-N 1 3 256.346 -0.206 20 0 CBADHO C[C@H](O)COC(=O)CC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000375627729 353764871 /nfs/dbraw/zinc/76/48/71/353764871.db2.gz KKYQIMXYSNEXOT-SDDRHHMPSA-N 1 3 256.346 -0.206 20 0 CBADHO C[C@H](C[NH3+])C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000375833455 353768282 /nfs/dbraw/zinc/76/82/82/353768282.db2.gz ICYKSWDUGIZZHD-OLZOCXBDSA-N 1 3 268.405 -0.180 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NCCCN(C)CCOC ZINC000417095626 353976745 /nfs/dbraw/zinc/97/67/45/353976745.db2.gz UJIPHNQSROAFHY-NSHDSACASA-N 1 3 260.382 -0.009 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)NCCN(C)CCOC ZINC000417437109 353977844 /nfs/dbraw/zinc/97/78/44/353977844.db2.gz GMHMSVAOJHZXQR-LLVKDONJSA-N 1 3 260.382 -0.281 20 0 CBADHO COCCN(C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417442175 353977953 /nfs/dbraw/zinc/97/79/53/353977953.db2.gz SPKYERWKECOAFD-VXGBXAGGSA-N 1 3 272.393 -0.138 20 0 CBADHO COCCN1CC[C@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000417700711 353981392 /nfs/dbraw/zinc/98/13/92/353981392.db2.gz HGCZPNIXVZJROQ-RYUDHWBXSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000417700711 353981394 /nfs/dbraw/zinc/98/13/94/353981394.db2.gz HGCZPNIXVZJROQ-RYUDHWBXSA-N 1 3 270.377 -0.290 20 0 CBADHO COCC[N@H+]1CC[C@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000417700711 353981395 /nfs/dbraw/zinc/98/13/95/353981395.db2.gz HGCZPNIXVZJROQ-RYUDHWBXSA-N 1 3 270.377 -0.290 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000417708044 353982395 /nfs/dbraw/zinc/98/23/95/353982395.db2.gz OABWALLSQQSSGL-NEPJUHHUSA-N 1 3 272.393 -0.138 20 0 CBADHO COCCCN(C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417756110 353982916 /nfs/dbraw/zinc/98/29/16/353982916.db2.gz RRTPJHFQSAAGCY-GFCCVEGCSA-N 1 3 272.393 -0.009 20 0 CBADHO COCCCN(C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417742451 353983054 /nfs/dbraw/zinc/98/30/54/353983054.db2.gz BCOXYBIMBMBRIA-UHFFFAOYSA-N 1 3 260.382 -0.009 20 0 CBADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCCN1C ZINC000418008757 353986557 /nfs/dbraw/zinc/98/65/57/353986557.db2.gz SROOCKPWBCQLMI-UPJWGTAASA-N 1 3 283.420 -0.328 20 0 CBADHO C[C@H]1[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCCN1C ZINC000418011594 353986732 /nfs/dbraw/zinc/98/67/32/353986732.db2.gz XBRSGUVTBIJWPY-BJDJZHNGSA-N 1 3 270.377 -0.557 20 0 CBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCOCC[NH+](C)C ZINC000418066682 353987763 /nfs/dbraw/zinc/98/77/63/353987763.db2.gz LSVJHWZVRZLENR-NWDGAFQWSA-N 1 3 272.393 -0.044 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCOCCN(C)C ZINC000418067613 353987885 /nfs/dbraw/zinc/98/78/85/353987885.db2.gz MZXIRRXXLHVTQV-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418294701 353991171 /nfs/dbraw/zinc/99/11/71/353991171.db2.gz GXULSKXCEUQUAT-UHFFFAOYSA-N 1 3 285.436 -0.127 20 0 CBADHO COc1cnccc1N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418290998 353991208 /nfs/dbraw/zinc/99/12/08/353991208.db2.gz AQDIJWPBDVHQOR-UHFFFAOYSA-N 1 3 279.344 -0.120 20 0 CBADHO C[NH2+]CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418317905 353992663 /nfs/dbraw/zinc/99/26/63/353992663.db2.gz NRTZSDAOYPCODB-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000418470014 353997796 /nfs/dbraw/zinc/99/77/96/353997796.db2.gz QFZSHVYKFSADPJ-WCQYABFASA-N 1 3 272.393 -0.130 20 0 CBADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN1CCCO ZINC000418361137 353994740 /nfs/dbraw/zinc/99/47/40/353994740.db2.gz GSYFTMBIIBOQQC-STQMWFEESA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(CCCO)C1 ZINC000418355360 353994842 /nfs/dbraw/zinc/99/48/42/353994842.db2.gz BJHISNWYMNZQRC-CHWSQXEVSA-N 1 3 284.404 -0.116 20 0 CBADHO O=C(NCCNc1ccncc1)NC[C@H]1CCC[NH2+]1 ZINC000418371807 353995257 /nfs/dbraw/zinc/99/52/57/353995257.db2.gz QCIXGTCINFRMSZ-GFCCVEGCSA-N 1 3 263.345 -0.033 20 0 CBADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CNCCO1 ZINC000418442479 353997985 /nfs/dbraw/zinc/99/79/85/353997985.db2.gz NAFBPVGQAAFTAD-MNOVXSKESA-N 1 3 258.366 -0.353 20 0 CBADHO c1cnc(N2CCN(CC[NH2+][C@H]3CCCNC3)CC2)nc1 ZINC000415091194 353963217 /nfs/dbraw/zinc/96/32/17/353963217.db2.gz PWIRIDBBGNDVHS-AWEZNQCLSA-N 1 3 290.415 -0.060 20 0 CBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419233483 354040113 /nfs/dbraw/zinc/04/01/13/354040113.db2.gz HDDYKPSAZLSIDK-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418513668 354001148 /nfs/dbraw/zinc/00/11/48/354001148.db2.gz VFEATGTXZFDSFP-NWDGAFQWSA-N 1 3 272.393 -0.009 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCCCN1CCO ZINC000418514535 354001188 /nfs/dbraw/zinc/00/11/88/354001188.db2.gz ARJSOQZLYBWCDG-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO CCN(CCO)CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418520526 354001555 /nfs/dbraw/zinc/00/15/55/354001555.db2.gz PMWDXKTVBINASH-UHFFFAOYSA-N 1 3 286.420 -0.011 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCCN1CCO ZINC000418514537 354001640 /nfs/dbraw/zinc/00/16/40/354001640.db2.gz ARJSOQZLYBWCDG-VXGBXAGGSA-N 1 3 272.393 -0.130 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418557845 354002930 /nfs/dbraw/zinc/00/29/30/354002930.db2.gz OZJIGZVHNWPOJV-NSHDSACASA-N 1 3 260.382 -0.057 20 0 CBADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418709502 354005641 /nfs/dbraw/zinc/00/56/41/354005641.db2.gz VBOONAPVXDSFFE-QWRGUYRKSA-N 1 3 260.382 -0.058 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418732230 354005691 /nfs/dbraw/zinc/00/56/91/354005691.db2.gz QNMVVBPTVSQDLR-VXGBXAGGSA-N 1 3 272.393 -0.130 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NCCNc1ccncc1 ZINC000418728795 354006407 /nfs/dbraw/zinc/00/64/07/354006407.db2.gz NQHRLLPKAXBHPT-SNVBAGLBSA-N 1 3 251.334 -0.048 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418739581 354006458 /nfs/dbraw/zinc/00/64/58/354006458.db2.gz YVKHRASHYCCQIO-RYUDHWBXSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000418769570 354007763 /nfs/dbraw/zinc/00/77/63/354007763.db2.gz PXPYXOHESCUDPK-GRYCIOLGSA-N 1 3 270.377 -0.256 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000418763052 354007831 /nfs/dbraw/zinc/00/78/31/354007831.db2.gz JIAZIRVSHCNMMQ-VXGBXAGGSA-N 1 3 270.377 -0.290 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419024278 354023547 /nfs/dbraw/zinc/02/35/47/354023547.db2.gz FIXUCTNBZPSKQU-GFCCVEGCSA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419021376 354023960 /nfs/dbraw/zinc/02/39/60/354023960.db2.gz GZWPTELUEWBBJI-UPJWGTAASA-N 1 3 298.431 -0.066 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419024280 354024124 /nfs/dbraw/zinc/02/41/24/354024124.db2.gz FIXUCTNBZPSKQU-LBPRGKRZSA-N 1 3 298.431 -0.051 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419018331 354024354 /nfs/dbraw/zinc/02/43/54/354024354.db2.gz BWAHTNZIJWFIKK-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419020840 354024391 /nfs/dbraw/zinc/02/43/91/354024391.db2.gz GETPWUUZGUZQNH-XQQFMLRXSA-N 1 3 298.431 -0.195 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419033211 354026574 /nfs/dbraw/zinc/02/65/74/354026574.db2.gz YFEPTQHKKQZHIT-RYUDHWBXSA-N 1 3 284.404 -0.441 20 0 CBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC[NH3+] ZINC000419081177 354027265 /nfs/dbraw/zinc/02/72/65/354027265.db2.gz RCLCQOURPPXOGT-GFCCVEGCSA-N 1 3 284.404 -0.168 20 0 CBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000419079959 354027465 /nfs/dbraw/zinc/02/74/65/354027465.db2.gz NXKZOLMPBLIURZ-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419100693 354028588 /nfs/dbraw/zinc/02/85/88/354028588.db2.gz JEJTVSHUFSUVIU-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)CN)C1 ZINC000419150214 354032226 /nfs/dbraw/zinc/03/22/26/354032226.db2.gz KYBUXMJTZXKWKP-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)CN)C1 ZINC000419150214 354032228 /nfs/dbraw/zinc/03/22/28/354032228.db2.gz KYBUXMJTZXKWKP-CHWSQXEVSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419147152 354032404 /nfs/dbraw/zinc/03/24/04/354032404.db2.gz BRJHIJBABQVDGE-CHWSQXEVSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419226535 354038923 /nfs/dbraw/zinc/03/89/23/354038923.db2.gz JEMFQOPVMOWROA-AAEUAGOBSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419226536 354039200 /nfs/dbraw/zinc/03/92/00/354039200.db2.gz JEMFQOPVMOWROA-DGCLKSJQSA-N 1 3 296.415 -0.170 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419576281 354062341 /nfs/dbraw/zinc/06/23/41/354062341.db2.gz BULQLUPYVYIBNR-LLVKDONJSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N(C)C1CC1 ZINC000419575832 354062633 /nfs/dbraw/zinc/06/26/33/354062633.db2.gz BIBDOZGCVAPNHK-JOYOIKCWSA-N 1 3 282.388 -0.561 20 0 CBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000419581580 354063537 /nfs/dbraw/zinc/06/35/37/354063537.db2.gz INYWJVSCFRZQSZ-GHMZBOCLSA-N 1 3 282.388 -0.547 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419585695 354063661 /nfs/dbraw/zinc/06/36/61/354063661.db2.gz MAGXQZCAZKGGNK-MNOVXSKESA-N 1 3 284.404 -0.443 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419581005 354064244 /nfs/dbraw/zinc/06/42/44/354064244.db2.gz ICPIGZDVFBICCW-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000419581499 354064248 /nfs/dbraw/zinc/06/42/48/354064248.db2.gz IIDNOYPUBZVXRR-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419587612 354064759 /nfs/dbraw/zinc/06/47/59/354064759.db2.gz NPWFPHAJJVTZLQ-NSHDSACASA-N 1 3 270.377 -0.606 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000419588508 354064796 /nfs/dbraw/zinc/06/47/96/354064796.db2.gz OJJJGSYZXKTNMD-NQBHXWOUSA-N 1 3 296.415 -0.301 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000419588513 354064974 /nfs/dbraw/zinc/06/49/74/354064974.db2.gz OJJJGSYZXKTNMD-WZRBSPASSA-N 1 3 296.415 -0.301 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419587177 354065099 /nfs/dbraw/zinc/06/50/99/354065099.db2.gz NMKOPTHZAWGCKI-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C1CC1 ZINC000419590349 354065274 /nfs/dbraw/zinc/06/52/74/354065274.db2.gz QAHAPYPCGMOVJX-LOWVWBTDSA-N 1 3 294.399 -0.594 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000419588506 354065444 /nfs/dbraw/zinc/06/54/44/354065444.db2.gz OJJJGSYZXKTNMD-MDZLAQPJSA-N 1 3 296.415 -0.301 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419597246 354065513 /nfs/dbraw/zinc/06/55/13/354065513.db2.gz ZWNCMBDOCKBIIB-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419689196 354070247 /nfs/dbraw/zinc/07/02/47/354070247.db2.gz ACZVNMSKRSNIIM-RYUDHWBXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[N@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)C1CCCC1 ZINC000419694766 354070501 /nfs/dbraw/zinc/07/05/01/354070501.db2.gz LIZSSPYOCVDHQK-ZDUSSCGKSA-N 1 3 296.415 -0.170 20 0 CBADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)C1CCCC1 ZINC000419694766 354070503 /nfs/dbraw/zinc/07/05/03/354070503.db2.gz LIZSSPYOCVDHQK-ZDUSSCGKSA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419716102 354071068 /nfs/dbraw/zinc/07/10/68/354071068.db2.gz QCUHZDDPWQVXHW-VXGBXAGGSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419700072 354071092 /nfs/dbraw/zinc/07/10/92/354071092.db2.gz WYRNGJCJLRTULO-VXGBXAGGSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H](CCNC(=O)C(=O)NCCN)[NH+]1CCCCC1 ZINC000419716321 354071594 /nfs/dbraw/zinc/07/15/94/354071594.db2.gz QWHRZHOAIMNMPP-NSHDSACASA-N 1 3 270.377 -0.558 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419883331 354088895 /nfs/dbraw/zinc/08/88/95/354088895.db2.gz MWJJPCOUFHHCEY-UPJWGTAASA-N 1 3 296.415 -0.299 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419736729 354073808 /nfs/dbraw/zinc/07/38/08/354073808.db2.gz RVNGUXHODZCBEE-UHFFFAOYSA-N 1 3 272.393 -0.488 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419736723 354073932 /nfs/dbraw/zinc/07/39/32/354073932.db2.gz RTVGYWDJUJKIES-QWHCGFSZSA-N 1 3 296.415 -0.488 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419735359 354073946 /nfs/dbraw/zinc/07/39/46/354073946.db2.gz QAASWJIMFFTOMT-HNNXBMFYSA-N 1 3 298.431 -0.050 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419739256 354074245 /nfs/dbraw/zinc/07/42/45/354074245.db2.gz VYXQBCQGFYKAMI-QWHCGFSZSA-N 1 3 298.431 -0.112 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419741767 354074678 /nfs/dbraw/zinc/07/46/78/354074678.db2.gz ZOLUHZGOSPQLJY-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419763989 354075614 /nfs/dbraw/zinc/07/56/14/354075614.db2.gz OVCWZTBUEJZSLR-ZDUSSCGKSA-N 1 3 298.431 -0.050 20 0 CBADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419766546 354075693 /nfs/dbraw/zinc/07/56/93/354075693.db2.gz RMTGJLSAXUNMAS-QWHCGFSZSA-N 1 3 298.431 -0.051 20 0 CBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419785004 354077757 /nfs/dbraw/zinc/07/77/57/354077757.db2.gz XUFKLBMNWOFVCH-LLVKDONJSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419823040 354080299 /nfs/dbraw/zinc/08/02/99/354080299.db2.gz PQQJUWJPGFFAQX-NSHDSACASA-N 1 3 284.404 -0.170 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419882013 354088533 /nfs/dbraw/zinc/08/85/33/354088533.db2.gz BWCSOZVSDHUMHH-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[NH3+])o1 ZINC000419841365 354083216 /nfs/dbraw/zinc/08/32/16/354083216.db2.gz UDHRNHNKFRBFDH-UHFFFAOYSA-N 1 3 296.371 -0.447 20 0 CBADHO C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419863298 354086342 /nfs/dbraw/zinc/08/63/42/354086342.db2.gz CNPGQAKAMUNXJO-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419860076 354086466 /nfs/dbraw/zinc/08/64/66/354086466.db2.gz KKCAWELPLWMTNB-CYBMUJFWSA-N 1 3 296.415 -0.217 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419865581 354086933 /nfs/dbraw/zinc/08/69/33/354086933.db2.gz AMQOAIWPWBZWNB-LBPRGKRZSA-N 1 3 284.404 -0.489 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000419287373 354044638 /nfs/dbraw/zinc/04/46/38/354044638.db2.gz PXBSXEQUGHDANM-UHFFFAOYSA-N 1 3 258.366 -0.830 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419404616 354051519 /nfs/dbraw/zinc/05/15/19/354051519.db2.gz GIVCRSKDRYZTPS-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419414702 354052392 /nfs/dbraw/zinc/05/23/92/354052392.db2.gz UHUMHCNVBODIOS-ZDUSSCGKSA-N 1 3 296.415 -0.312 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419422243 354053301 /nfs/dbraw/zinc/05/33/01/354053301.db2.gz MJBLARSBJVNACN-STQMWFEESA-N 1 3 296.415 -0.155 20 0 CBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419425849 354053845 /nfs/dbraw/zinc/05/38/45/354053845.db2.gz PUZADXIRAZDZGU-NWDGAFQWSA-N 1 3 284.404 -0.217 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419428619 354054533 /nfs/dbraw/zinc/05/45/33/354054533.db2.gz TZQXYCLRDOEOOX-RYUDHWBXSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431253 354054702 /nfs/dbraw/zinc/05/47/02/354054702.db2.gz WYMYWCAGPIMEGW-XQQFMLRXSA-N 1 3 298.431 -0.066 20 0 CBADHO C[C@@H](CN)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431253 354054704 /nfs/dbraw/zinc/05/47/04/354054704.db2.gz WYMYWCAGPIMEGW-XQQFMLRXSA-N 1 3 298.431 -0.066 20 0 CBADHO CCN(CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000419530286 354058029 /nfs/dbraw/zinc/05/80/29/354058029.db2.gz YUKSZGWZPOYHBW-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419527016 354058766 /nfs/dbraw/zinc/05/87/66/354058766.db2.gz URIARJDIFFLSSE-STQMWFEESA-N 1 3 298.431 -0.051 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419883328 354089035 /nfs/dbraw/zinc/08/90/35/354089035.db2.gz MWJJPCOUFHHCEY-AGIUHOORSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419883330 354089213 /nfs/dbraw/zinc/08/92/13/354089213.db2.gz MWJJPCOUFHHCEY-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419886775 354090020 /nfs/dbraw/zinc/09/00/20/354090020.db2.gz IEEVTTBPMDTGLV-UHFFFAOYSA-N 1 3 286.420 -0.242 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000419893401 354090709 /nfs/dbraw/zinc/09/07/09/354090709.db2.gz PYAIMNBBKWIXCY-GFCCVEGCSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000419949434 354095385 /nfs/dbraw/zinc/09/53/85/354095385.db2.gz LGFSHFDELOCKSA-OLZOCXBDSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949625 354096687 /nfs/dbraw/zinc/09/66/87/354096687.db2.gz LLQJFFOYWFIKIP-LBPRGKRZSA-N 1 3 296.415 -0.203 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419961056 354097240 /nfs/dbraw/zinc/09/72/40/354097240.db2.gz SWNQKVUGBKXCLP-YNEHKIRRSA-N 1 3 298.431 -0.066 20 0 CBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000419981322 354099399 /nfs/dbraw/zinc/09/93/99/354099399.db2.gz RZYNBWMXIPIIMP-VXGBXAGGSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420017432 354102981 /nfs/dbraw/zinc/10/29/81/354102981.db2.gz VQMVCLUOYQIHBM-VXGBXAGGSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420017431 354103121 /nfs/dbraw/zinc/10/31/21/354103121.db2.gz VQMVCLUOYQIHBM-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000420026833 354103932 /nfs/dbraw/zinc/10/39/32/354103932.db2.gz JUEBIFWOHHQKDQ-QJPTWQEYSA-N 1 3 284.404 -0.171 20 0 CBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420028506 354104185 /nfs/dbraw/zinc/10/41/85/354104185.db2.gz HHHAIDAHGFLMAO-CHWSQXEVSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000420108593 354109338 /nfs/dbraw/zinc/10/93/38/354109338.db2.gz CRDTZNZHWKEUOA-WCQYABFASA-N 1 3 296.415 -0.347 20 0 CBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C ZINC000420152914 354114268 /nfs/dbraw/zinc/11/42/68/354114268.db2.gz ZWLQPWLBUCHDNL-NSHDSACASA-N 1 3 272.393 -0.360 20 0 CBADHO C[C@H]1CCN(CCC(=O)N2CCNCC2)[C@H](C[NH3+])C1 ZINC000420333989 354124095 /nfs/dbraw/zinc/12/40/95/354124095.db2.gz KOXOQZAQMSYFEX-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)[C@H](CN)C1 ZINC000420333989 354124099 /nfs/dbraw/zinc/12/40/99/354124099.db2.gz KOXOQZAQMSYFEX-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO C[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)[C@H](CN)C1 ZINC000420333989 354124101 /nfs/dbraw/zinc/12/41/01/354124101.db2.gz KOXOQZAQMSYFEX-STQMWFEESA-N 1 3 268.405 -0.133 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423383464 354173297 /nfs/dbraw/zinc/17/32/97/354173297.db2.gz FFKDHABMTOOAQL-LBPRGKRZSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)CCN ZINC000423411141 354175803 /nfs/dbraw/zinc/17/58/03/354175803.db2.gz FFKVXXUGRGUNKG-UHFFFAOYSA-N 1 3 286.420 -0.016 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422967525 354158770 /nfs/dbraw/zinc/15/87/70/354158770.db2.gz CDENVJVSHZREIT-VXGBXAGGSA-N 1 3 284.404 -0.347 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422972968 354158833 /nfs/dbraw/zinc/15/88/33/354158833.db2.gz NGEVKSJNIYEGLK-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423058944 354161521 /nfs/dbraw/zinc/16/15/21/354161521.db2.gz DKNGTVRKVPPVQU-RWMBFGLXSA-N 1 3 296.415 -0.408 20 0 CBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000423063087 354161722 /nfs/dbraw/zinc/16/17/22/354161722.db2.gz OIMMLRPLFJEJMB-NSHDSACASA-N 1 3 270.377 -0.783 20 0 CBADHO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000423164760 354163498 /nfs/dbraw/zinc/16/34/98/354163498.db2.gz ACKWGBKZWHAENY-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423198957 354164300 /nfs/dbraw/zinc/16/43/00/354164300.db2.gz IUTJXWLBPXWZJS-QWHCGFSZSA-N 1 3 294.399 -0.367 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423516921 354178866 /nfs/dbraw/zinc/17/88/66/354178866.db2.gz HHCPGLZRQIGKIU-LLVKDONJSA-N 1 3 282.388 -0.511 20 0 CBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000423589857 354181679 /nfs/dbraw/zinc/18/16/79/354181679.db2.gz IFQGEMAHCSHWQZ-ZDUSSCGKSA-N 1 3 298.431 -0.005 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000423586709 354181730 /nfs/dbraw/zinc/18/17/30/354181730.db2.gz DXMRRHRFWHQIBI-OLZOCXBDSA-N 1 3 296.415 -0.252 20 0 CBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423596461 354182600 /nfs/dbraw/zinc/18/26/00/354182600.db2.gz RVDSYFHLZVEENB-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CCCN(C(=O)C(=O)N(C)CCN(C)C)[C@H]1CC[NH2+]C1 ZINC000423659920 354189560 /nfs/dbraw/zinc/18/95/60/354189560.db2.gz IWVUGPLAQOGZFV-LBPRGKRZSA-N 1 3 284.404 -0.393 20 0 CBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423712310 354193108 /nfs/dbraw/zinc/19/31/08/354193108.db2.gz CXJTUKMVXUOQRB-STQMWFEESA-N 1 3 296.415 -0.121 20 0 CBADHO C[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000424016686 354207381 /nfs/dbraw/zinc/20/73/81/354207381.db2.gz DDGOADSQBHRYAS-LBPRGKRZSA-N 1 3 284.404 -0.536 20 0 CBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000424153547 354212420 /nfs/dbraw/zinc/21/24/20/354212420.db2.gz KDRIVOTUZZXYHL-NWDGAFQWSA-N 1 3 280.372 -0.900 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168564 354213323 /nfs/dbraw/zinc/21/33/23/354213323.db2.gz GCOFRVXZMAFBOE-NEPJUHHUSA-N 1 3 254.378 -0.571 20 0 CBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COC1CNC1 ZINC000430681680 354250463 /nfs/dbraw/zinc/25/04/63/354250463.db2.gz FLUVYCFKPZHBPN-NSHDSACASA-N 1 3 255.362 -0.225 20 0 CBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COC1CNC1 ZINC000430681680 354250466 /nfs/dbraw/zinc/25/04/66/354250466.db2.gz FLUVYCFKPZHBPN-NSHDSACASA-N 1 3 255.362 -0.225 20 0 CBADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000431013215 354251393 /nfs/dbraw/zinc/25/13/93/354251393.db2.gz HWKVZCCIMGWZOO-QWHCGFSZSA-N 1 3 270.421 -0.158 20 0 CBADHO COCCN1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000431059627 354251773 /nfs/dbraw/zinc/25/17/73/354251773.db2.gz WMCUNCMDQSWEJI-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000431015662 354251837 /nfs/dbraw/zinc/25/18/37/354251837.db2.gz PZGVCBMTRJMWBJ-CHWSQXEVSA-N 1 3 268.405 -0.404 20 0 CBADHO C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)N(C)C ZINC000433376691 354253184 /nfs/dbraw/zinc/25/31/84/354253184.db2.gz OKMODAQFVDZMLW-MNOVXSKESA-N 1 3 280.376 -0.118 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444172946 354262976 /nfs/dbraw/zinc/26/29/76/354262976.db2.gz SLTRJPSXDHKIEK-GFCCVEGCSA-N 1 3 282.388 -0.639 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215338 354219145 /nfs/dbraw/zinc/21/91/45/354219145.db2.gz FRLGLIHMOICRGU-KXUCPTDWSA-N 1 3 257.334 -0.347 20 0 CBADHO CO[C@@H](CN)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424239960 354220969 /nfs/dbraw/zinc/22/09/69/354220969.db2.gz OUMDSYHTORKWSD-MNOVXSKESA-N 1 3 255.362 -0.049 20 0 CBADHO Cn1cc([C@@H]2OCC[C@H]2NCCN2CC[NH2+]CC2)cn1 ZINC000424289603 354223011 /nfs/dbraw/zinc/22/30/11/354223011.db2.gz MCBGFPHMSMKWMU-KGLIPLIRSA-N 1 3 279.388 -0.255 20 0 CBADHO CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424477002 354225516 /nfs/dbraw/zinc/22/55/16/354225516.db2.gz KWUIRMQXSVZTGY-RWMBFGLXSA-N 1 3 294.403 -0.161 20 0 CBADHO CCN1CCN(CCCNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447442735 354298407 /nfs/dbraw/zinc/29/84/07/354298407.db2.gz TWVJZCNJZMTINW-ZDUSSCGKSA-N 1 3 286.420 -0.506 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444266212 354267279 /nfs/dbraw/zinc/26/72/79/354267279.db2.gz IHTZXXZOWKYRQM-NWDGAFQWSA-N 1 3 254.378 -0.510 20 0 CBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449703050 354321476 /nfs/dbraw/zinc/32/14/76/354321476.db2.gz VOMQMMWYFGYWNY-XQQFMLRXSA-N 1 3 268.405 -0.121 20 0 CBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449703049 354321822 /nfs/dbraw/zinc/32/18/22/354321822.db2.gz VOMQMMWYFGYWNY-UPJWGTAASA-N 1 3 268.405 -0.121 20 0 CBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@@H]21 ZINC000452968401 354353358 /nfs/dbraw/zinc/35/33/58/354353358.db2.gz BSSBXQZLODOQBF-HZSPNIEDSA-N 1 3 278.400 -0.461 20 0 CBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)C[C@@H]21 ZINC000452968401 354353360 /nfs/dbraw/zinc/35/33/60/354353360.db2.gz BSSBXQZLODOQBF-HZSPNIEDSA-N 1 3 278.400 -0.461 20 0 CBADHO CN1CC[C@H]2CN(C(=O)NCCOCC[NH+](C)C)C[C@H]21 ZINC000458703196 354379616 /nfs/dbraw/zinc/37/96/16/354379616.db2.gz WHWYZAONCOKQHH-QWHCGFSZSA-N 1 3 284.404 -0.090 20 0 CBADHO CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000459905278 354393140 /nfs/dbraw/zinc/39/31/40/354393140.db2.gz NNCKPXQGHQEOCU-NWDGAFQWSA-N 1 3 282.388 -0.831 20 0 CBADHO C[C@H](NC(=O)/C=C/C[NH+](C)C)C(=O)NCCN(C)C ZINC000493172474 354489493 /nfs/dbraw/zinc/48/94/93/354489493.db2.gz QVTMZOMIQQTKDI-MLRMMBSGSA-N 1 3 270.377 -0.713 20 0 CBADHO C[C@@H](NC(=O)/C=C\C[NH+](C)C)C(=O)NCCN(C)C ZINC000493172473 354489540 /nfs/dbraw/zinc/48/95/40/354489540.db2.gz QVTMZOMIQQTKDI-JMEBYUIHSA-N 1 3 270.377 -0.713 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000515523115 354555878 /nfs/dbraw/zinc/55/58/78/354555878.db2.gz OFXMTXKBSIXWGH-WOPDTQHZSA-N 1 3 269.393 -0.731 20 0 CBADHO CC[C@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000518530777 354558361 /nfs/dbraw/zinc/55/83/61/354558361.db2.gz HLTRVWDHKPIDSO-UWVGGRQHSA-N 1 3 256.350 -0.963 20 0 CBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000535715278 354602305 /nfs/dbraw/zinc/60/23/05/354602305.db2.gz JXPLZVLJNYBKRU-DZGCQCFKSA-N 1 3 292.427 -0.023 20 0 CBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000535715278 354602311 /nfs/dbraw/zinc/60/23/11/354602311.db2.gz JXPLZVLJNYBKRU-DZGCQCFKSA-N 1 3 292.427 -0.023 20 0 CBADHO CN(C)C[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000519546235 354562906 /nfs/dbraw/zinc/56/29/06/354562906.db2.gz UFANQHZNHRGOOE-VXGBXAGGSA-N 1 3 282.388 -0.593 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000519609417 354564863 /nfs/dbraw/zinc/56/48/63/354564863.db2.gz NYHYNPULNIASLS-ZJUUUORDSA-N 1 3 259.350 -0.244 20 0 CBADHO NCc1cn([C@H]2CCCN(C(=O)C[NH2+]CC3CC3)C2)nn1 ZINC000520405342 354566836 /nfs/dbraw/zinc/56/68/36/354566836.db2.gz HQZWQMKHWGMEQJ-ZDUSSCGKSA-N 1 3 292.387 -0.100 20 0 CBADHO CN(C)C(=O)CN(C)CCCCN(C)CC(=O)N(C)C ZINC000535010756 354598790 /nfs/dbraw/zinc/59/87/90/354598790.db2.gz IBGLIBIQUDNDPY-UHFFFAOYSA-N 1 3 286.420 -0.193 20 0 CBADHO CN(C)C(=O)CN(C)CCCC[N@H+](C)CC(=O)N(C)C ZINC000535010756 354598794 /nfs/dbraw/zinc/59/87/94/354598794.db2.gz IBGLIBIQUDNDPY-UHFFFAOYSA-N 1 3 286.420 -0.193 20 0 CBADHO CN(C)C(=O)CN(C)CCCC[N@@H+](C)CC(=O)N(C)C ZINC000535010756 354598796 /nfs/dbraw/zinc/59/87/96/354598796.db2.gz IBGLIBIQUDNDPY-UHFFFAOYSA-N 1 3 286.420 -0.193 20 0 CBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265150 354686166 /nfs/dbraw/zinc/68/61/66/354686166.db2.gz AFDKLHAZIAWMLM-UTUOFQBUSA-N 1 3 296.415 -0.443 20 0 CBADHO CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1CCN(C2CC2)C1 ZINC000562821209 354688688 /nfs/dbraw/zinc/68/86/88/354688688.db2.gz ZYBBVMFDHMICPM-ZIAGYGMSSA-N 1 3 295.431 -0.232 20 0 CBADHO CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1CCN(C2CC2)C1 ZINC000562821208 354688936 /nfs/dbraw/zinc/68/89/36/354688936.db2.gz ZYBBVMFDHMICPM-UONOGXRCSA-N 1 3 295.431 -0.232 20 0 CBADHO O=C(COC1CNC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000563085135 354695344 /nfs/dbraw/zinc/69/53/44/354695344.db2.gz PTGNKIDYTACJPK-UHFFFAOYSA-N 1 3 253.346 -0.423 20 0 CBADHO CN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1CCN(C2CC2)C1 ZINC000563094321 354695730 /nfs/dbraw/zinc/69/57/30/354695730.db2.gz CYYTVSXVODIECW-GFCCVEGCSA-N 1 3 292.387 -0.064 20 0 CBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000563093067 354695786 /nfs/dbraw/zinc/69/57/86/354695786.db2.gz XNVJFYQGOUYLIE-YPMHNXCESA-N 1 3 269.389 -0.053 20 0 CBADHO CN(C(=O)c1cn(CCC[NH3+])nn1)[C@H]1CCN(C2CC2)C1 ZINC000563094322 354695887 /nfs/dbraw/zinc/69/58/87/354695887.db2.gz CYYTVSXVODIECW-LBPRGKRZSA-N 1 3 292.387 -0.064 20 0 CBADHO [NH3+]CCCCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000563101553 354696782 /nfs/dbraw/zinc/69/67/82/354696782.db2.gz AERBVGFFPXILME-UHFFFAOYSA-N 1 3 267.337 -0.718 20 0 CBADHO COCC[N@H+](C)CCCNCCC(=O)NC(N)=O ZINC000563806085 354705245 /nfs/dbraw/zinc/70/52/45/354705245.db2.gz NXKAEGAUNNWUBQ-UHFFFAOYSA-N 1 3 260.338 -0.871 20 0 CBADHO COCC[N@@H+](C)CCCNCCC(=O)NC(N)=O ZINC000563806085 354705247 /nfs/dbraw/zinc/70/52/47/354705247.db2.gz NXKAEGAUNNWUBQ-UHFFFAOYSA-N 1 3 260.338 -0.871 20 0 CBADHO N[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000563956486 354707968 /nfs/dbraw/zinc/70/79/68/354707968.db2.gz SSOMDUOGJMYAFX-STQMWFEESA-N 1 3 266.389 -0.380 20 0 CBADHO CCC[C@H]1C[NH2+]CCN1CCC(=O)N1CCNCC1 ZINC000564799327 354717513 /nfs/dbraw/zinc/71/75/13/354717513.db2.gz UOQCJHXCUHUJRC-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO CCC[C@H]1CNCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000564799327 354717514 /nfs/dbraw/zinc/71/75/14/354717514.db2.gz UOQCJHXCUHUJRC-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO CCC[C@H]1CNCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000564799327 354717519 /nfs/dbraw/zinc/71/75/19/354717519.db2.gz UOQCJHXCUHUJRC-ZDUSSCGKSA-N 1 3 268.405 -0.118 20 0 CBADHO O=C(CNC[C@@H]1CCCO1)NCCNc1cc[nH+]cc1 ZINC000564914510 354720583 /nfs/dbraw/zinc/72/05/83/354720583.db2.gz ILCHAVFOSNZELP-ZDUSSCGKSA-N 1 3 278.356 -0.200 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCC(O)CC2)C1 ZINC000556737241 354680768 /nfs/dbraw/zinc/68/07/68/354680768.db2.gz QJLYXXNGNBTODD-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCC(O)CC2)C1 ZINC000556737241 354680771 /nfs/dbraw/zinc/68/07/71/354680771.db2.gz QJLYXXNGNBTODD-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO CCOC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000565770490 354745500 /nfs/dbraw/zinc/74/55/00/354745500.db2.gz WKDLKHYGXJEBES-ZDUSSCGKSA-N 1 3 273.421 -0.001 20 0 CBADHO CCOC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000565770489 354745557 /nfs/dbraw/zinc/74/55/57/354745557.db2.gz WKDLKHYGXJEBES-CYBMUJFWSA-N 1 3 273.421 -0.001 20 0 CBADHO CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930930 354748874 /nfs/dbraw/zinc/74/88/74/354748874.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930930 354748876 /nfs/dbraw/zinc/74/88/76/354748876.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000565930930 354748880 /nfs/dbraw/zinc/74/88/80/354748880.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000565930930 354748882 /nfs/dbraw/zinc/74/88/82/354748882.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 1 3 285.432 -0.047 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566189641 354755806 /nfs/dbraw/zinc/75/58/06/354755806.db2.gz RVKIKOBZVMJKQT-QJPTWQEYSA-N 1 3 253.346 -0.567 20 0 CBADHO C[C@@H](NC1CC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566189414 354756132 /nfs/dbraw/zinc/75/61/32/354756132.db2.gz IRFATLNZTKHFTM-DGCLKSJQSA-N 1 3 266.389 -0.367 20 0 CBADHO [NH3+]CCCN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000566225469 354758299 /nfs/dbraw/zinc/75/82/99/354758299.db2.gz PLMXVCYKDVWNGL-GFCCVEGCSA-N 1 3 254.378 -0.521 20 0 CBADHO O=C(CCN1CCC[C@@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC000566244875 354759290 /nfs/dbraw/zinc/75/92/90/354759290.db2.gz KDUOMYLLQBQETI-HNNXBMFYSA-N 1 3 280.416 -0.116 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1=CC[NH2+]CC1 ZINC000566249047 354759790 /nfs/dbraw/zinc/75/97/90/354759790.db2.gz RIMBFFRIDRCVKX-LBPRGKRZSA-N 1 3 268.361 -0.878 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000566618418 354771861 /nfs/dbraw/zinc/77/18/61/354771861.db2.gz KSOHRYQZUQZQMX-MELADBBJSA-N 1 3 298.431 -0.637 20 0 CBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000567111503 354781569 /nfs/dbraw/zinc/78/15/69/354781569.db2.gz CAKBVNUJMLUZHS-SDDRHHMPSA-N 1 3 283.372 -0.181 20 0 CBADHO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC000567368587 354786904 /nfs/dbraw/zinc/78/69/04/354786904.db2.gz BGLKDEYKJKMJDT-STQMWFEESA-N 1 3 283.420 -0.469 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565256036 354735668 /nfs/dbraw/zinc/73/56/68/354735668.db2.gz YJZDVHOXOWJHJV-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CN1CCN(C(=O)NCCC[NH2+]C2CC2)[C@H](CN)C1 ZINC000565412920 354737591 /nfs/dbraw/zinc/73/75/91/354737591.db2.gz WCNTZAYZPBELKH-GFCCVEGCSA-N 1 3 269.393 -0.587 20 0 CBADHO CN1CCN(C(=O)NCCC[NH2+]C2CC2)[C@@H](CN)C1 ZINC000565412921 354737823 /nfs/dbraw/zinc/73/78/23/354737823.db2.gz WCNTZAYZPBELKH-LBPRGKRZSA-N 1 3 269.393 -0.587 20 0 CBADHO C[C@@H]([NH2+]CCC(=O)NC(N)=O)C1=CCN(C)CC1 ZINC000565416687 354738166 /nfs/dbraw/zinc/73/81/66/354738166.db2.gz BDSHLPACPSXSEV-SECBINFHSA-N 1 3 254.334 -0.189 20 0 CBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COC1CNC1 ZINC000567811716 354798317 /nfs/dbraw/zinc/79/83/17/354798317.db2.gz BFJNDFKLWXMOJZ-PWSUYJOCSA-N 1 3 255.362 -0.227 20 0 CBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COC1CNC1 ZINC000567811716 354798318 /nfs/dbraw/zinc/79/83/18/354798318.db2.gz BFJNDFKLWXMOJZ-PWSUYJOCSA-N 1 3 255.362 -0.227 20 0 CBADHO NCC(=O)N1CCC[C@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000567871636 354801728 /nfs/dbraw/zinc/80/17/28/354801728.db2.gz ZXMJRNRWZKGQDC-UKRRQHHQSA-N 1 3 280.416 -0.131 20 0 CBADHO O[C@H](C[NH2+]C[C@H](O)Cn1cccn1)CN1CCCC1 ZINC000567875760 354802659 /nfs/dbraw/zinc/80/26/59/354802659.db2.gz KUUKSGXUUTYTNF-OLZOCXBDSA-N 1 3 268.361 -0.710 20 0 CBADHO N[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1c1ccccc1F ZINC000567927105 354806416 /nfs/dbraw/zinc/80/64/16/354806416.db2.gz UGLCGPPWTWZQMV-BNQQVVLKSA-N 1 3 293.342 -0.198 20 0 CBADHO C[C@H](NC(=O)CCOC1CNC1)[C@H]1CCC[NH2+]C1 ZINC000568076353 354809356 /nfs/dbraw/zinc/80/93/56/354809356.db2.gz GCHLPUGHJITBHF-QWRGUYRKSA-N 1 3 255.362 -0.131 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@H](CO)C1CCOCC1 ZINC000568166732 354812031 /nfs/dbraw/zinc/81/20/31/354812031.db2.gz RPOZAGVCACTOOQ-CHWSQXEVSA-N 1 3 260.378 -0.324 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CO)C1CCOCC1 ZINC000568166732 354812032 /nfs/dbraw/zinc/81/20/32/354812032.db2.gz RPOZAGVCACTOOQ-CHWSQXEVSA-N 1 3 260.378 -0.324 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)C1CCOCC1 ZINC000568166734 354813510 /nfs/dbraw/zinc/81/35/10/354813510.db2.gz RPOZAGVCACTOOQ-QWHCGFSZSA-N 1 3 260.378 -0.324 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CO)C1CCOCC1 ZINC000568166734 354813511 /nfs/dbraw/zinc/81/35/11/354813511.db2.gz RPOZAGVCACTOOQ-QWHCGFSZSA-N 1 3 260.378 -0.324 20 0 CBADHO CC[NH+](CC)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568286790 354820176 /nfs/dbraw/zinc/82/01/76/354820176.db2.gz GQVGDFFVSJWNGM-NWDGAFQWSA-N 1 3 297.403 -0.718 20 0 CBADHO O=C(COC1CNC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568390416 354822313 /nfs/dbraw/zinc/82/23/13/354822313.db2.gz MGEWYGMNXVTOIC-VXGBXAGGSA-N 1 3 267.373 -0.177 20 0 CBADHO CNC(=O)NC(=O)CCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568392601 354823276 /nfs/dbraw/zinc/82/32/76/354823276.db2.gz MZPINPTYQXZYKN-LLVKDONJSA-N 1 3 298.387 -0.481 20 0 CBADHO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000568392601 354823279 /nfs/dbraw/zinc/82/32/79/354823279.db2.gz MZPINPTYQXZYKN-LLVKDONJSA-N 1 3 298.387 -0.481 20 0 CBADHO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000568392601 354823284 /nfs/dbraw/zinc/82/32/84/354823284.db2.gz MZPINPTYQXZYKN-LLVKDONJSA-N 1 3 298.387 -0.481 20 0 CBADHO C[C@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)CC[NH2+]1 ZINC000568391623 354823743 /nfs/dbraw/zinc/82/37/43/354823743.db2.gz HKUHWRCKJCNLGX-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000568512187 354825186 /nfs/dbraw/zinc/82/51/86/354825186.db2.gz NTUZUZQGBWZEMW-ZDUSSCGKSA-N 1 3 271.361 -0.321 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000568512187 354825190 /nfs/dbraw/zinc/82/51/90/354825190.db2.gz NTUZUZQGBWZEMW-ZDUSSCGKSA-N 1 3 271.361 -0.321 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000568512187 354825193 /nfs/dbraw/zinc/82/51/93/354825193.db2.gz NTUZUZQGBWZEMW-ZDUSSCGKSA-N 1 3 271.361 -0.321 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@H]([NH3+])C[C@H]1C ZINC000568527152 354826175 /nfs/dbraw/zinc/82/61/75/354826175.db2.gz QKCZNADIXDXYKV-MNOVXSKESA-N 1 3 271.361 -0.181 20 0 CBADHO COC(=O)CN(C)C(=O)CCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568527154 354826770 /nfs/dbraw/zinc/82/67/70/354826770.db2.gz QKCZNADIXDXYKV-WDEREUQCSA-N 1 3 271.361 -0.181 20 0 CBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000568629019 354828561 /nfs/dbraw/zinc/82/85/61/354828561.db2.gz UHECXFIEPSASJG-IJLUTSLNSA-N 1 3 255.362 -0.131 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CSCCN2)CCCO1 ZINC000567732818 354795128 /nfs/dbraw/zinc/79/51/28/354795128.db2.gz WVJSTSKKIBEBNX-MNOVXSKESA-N 1 3 273.402 -0.342 20 0 CBADHO CN1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567772273 354796497 /nfs/dbraw/zinc/79/64/97/354796497.db2.gz NAFAXKFRDHRYJK-NWDGAFQWSA-N 1 3 292.387 -0.146 20 0 CBADHO CN1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567772272 354796516 /nfs/dbraw/zinc/79/65/16/354796516.db2.gz NAFAXKFRDHRYJK-NEPJUHHUSA-N 1 3 292.387 -0.146 20 0 CBADHO O=C(C[C@@H]1CNCCO1)NCCNc1cc[nH+]cc1 ZINC000567786907 354797360 /nfs/dbraw/zinc/79/73/60/354797360.db2.gz UHBHVTAWQLQWPK-GFCCVEGCSA-N 1 3 264.329 -0.590 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CC[C@H](C)C2)C1 ZINC000569224976 354840158 /nfs/dbraw/zinc/84/01/58/354840158.db2.gz IHLYWWIAPRRMHJ-SDDRHHMPSA-N 1 3 255.362 -0.179 20 0 CBADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000569327506 354843208 /nfs/dbraw/zinc/84/32/08/354843208.db2.gz RRLAMFFDTRSJDC-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000569692465 354844093 /nfs/dbraw/zinc/84/40/93/354844093.db2.gz BBPGPGIYTGDHLN-GHMZBOCLSA-N 1 3 255.362 -0.131 20 0 CBADHO N[C@@H](C(=O)NCCCN1CC[NH2+]CC1)C1CCC1 ZINC000571760915 354878743 /nfs/dbraw/zinc/87/87/43/354878743.db2.gz UYUULBLUAICWRS-GFCCVEGCSA-N 1 3 254.378 -0.475 20 0 CBADHO CCN1CCN([C@@H](C)CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000570399868 354861169 /nfs/dbraw/zinc/86/11/69/354861169.db2.gz NZGBYZPQPLWSBV-GUTXKFCHSA-N 1 3 280.416 -0.119 20 0 CBADHO CN(CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC000570424684 354861303 /nfs/dbraw/zinc/86/13/03/354861303.db2.gz GENXVEILAASDBI-LBPRGKRZSA-N 1 3 269.393 -0.635 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@H+](C)CCOC)[C@@H](C)C1 ZINC000570580459 354864754 /nfs/dbraw/zinc/86/47/54/354864754.db2.gz XDUBJHRCGKKYAA-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000570580459 354864756 /nfs/dbraw/zinc/86/47/56/354864756.db2.gz XDUBJHRCGKKYAA-UONOGXRCSA-N 1 3 273.421 -0.049 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000342766806 291045801 /nfs/dbraw/zinc/04/58/01/291045801.db2.gz XNYVNEZAHAXVKZ-WDEREUQCSA-N 1 3 271.361 -0.181 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000572494540 354892250 /nfs/dbraw/zinc/89/22/50/354892250.db2.gz YQLYEMSPDLFIGK-IJLUTSLNSA-N 1 3 257.378 -0.067 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000572494540 354892253 /nfs/dbraw/zinc/89/22/53/354892253.db2.gz YQLYEMSPDLFIGK-IJLUTSLNSA-N 1 3 257.378 -0.067 20 0 CBADHO C[C@@H](NC(=O)CCCC[NH+](C)C)C(=O)NCCN(C)C ZINC000572496760 354892558 /nfs/dbraw/zinc/89/25/58/354892558.db2.gz VXAXPBFTIVQPBR-GFCCVEGCSA-N 1 3 286.420 -0.099 20 0 CBADHO CC(C)N1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572768905 354897101 /nfs/dbraw/zinc/89/71/01/354897101.db2.gz KOKNGPIANFVKLN-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000573357853 354911125 /nfs/dbraw/zinc/91/11/25/354911125.db2.gz CSRFKYAARDFJNH-AWEZNQCLSA-N 1 3 298.431 -0.805 20 0 CBADHO CN1CCN(C(=O)CCNC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000573357853 354911126 /nfs/dbraw/zinc/91/11/26/354911126.db2.gz CSRFKYAARDFJNH-AWEZNQCLSA-N 1 3 298.431 -0.805 20 0 CBADHO CN1CCN(C(=O)CCNC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000573357853 354911128 /nfs/dbraw/zinc/91/11/28/354911128.db2.gz CSRFKYAARDFJNH-AWEZNQCLSA-N 1 3 298.431 -0.805 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000573442448 354912996 /nfs/dbraw/zinc/91/29/96/354912996.db2.gz LSTKUNBAFAGTCB-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000573583570 354916101 /nfs/dbraw/zinc/91/61/01/354916101.db2.gz GXHLYDJZQNENQL-ZDUSSCGKSA-N 1 3 283.420 -0.373 20 0 CBADHO COC(=O)CC1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000571885949 354882335 /nfs/dbraw/zinc/88/23/35/354882335.db2.gz BUNLHQGZMVTHQE-NSHDSACASA-N 1 3 283.372 -0.131 20 0 CBADHO C[C@H](CNC[C@@H](O)CN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000573954176 354925342 /nfs/dbraw/zinc/92/53/42/354925342.db2.gz XMIUNJGRUUNOLB-HZPDHXFCSA-N 1 3 298.475 -0.084 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578231463 354942198 /nfs/dbraw/zinc/94/21/98/354942198.db2.gz ZMQABHRDYBLZCH-OLZOCXBDSA-N 1 3 294.399 -0.639 20 0 CBADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H]1C ZINC000578490141 354946721 /nfs/dbraw/zinc/94/67/21/354946721.db2.gz NVPDUGFIBJAVPV-SDDRHHMPSA-N 1 3 269.393 -0.718 20 0 CBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000578887217 354957364 /nfs/dbraw/zinc/95/73/64/354957364.db2.gz OHRCSVNTSLCVPR-OLZOCXBDSA-N 1 3 287.404 -0.441 20 0 CBADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000580942129 355001889 /nfs/dbraw/zinc/00/18/89/355001889.db2.gz LFNAFGHGZAABIT-ONGXEEELSA-N 1 3 268.361 -0.937 20 0 CBADHO CC1CCN(C[C@H](O)C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000580074328 354987185 /nfs/dbraw/zinc/98/71/85/354987185.db2.gz OSRBTPYLTBKCNR-LLVKDONJSA-N 1 3 286.376 -0.746 20 0 CBADHO O=C(COC1CNC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580076445 354988027 /nfs/dbraw/zinc/98/80/27/354988027.db2.gz OVDUQBUDWVALPV-ZDUSSCGKSA-N 1 3 253.346 -0.423 20 0 CBADHO CN1CCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000584466797 355030266 /nfs/dbraw/zinc/03/02/66/355030266.db2.gz LYSRTRHHYHKRMY-NSHDSACASA-N 1 3 280.376 -0.159 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000584530792 355031313 /nfs/dbraw/zinc/03/13/13/355031313.db2.gz IGLJPTOEZDKMIF-HBNTYKKESA-N 1 3 269.345 -0.523 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000584541289 355031679 /nfs/dbraw/zinc/03/16/79/355031679.db2.gz BSGDRHJQBSANGL-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000584789745 355038061 /nfs/dbraw/zinc/03/80/61/355038061.db2.gz ARWZKCQEHLCVSZ-NXEZZACHSA-N 1 3 267.333 -0.076 20 0 CBADHO CN1CCN(C(=O)CCN2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584839478 355039937 /nfs/dbraw/zinc/03/99/37/355039937.db2.gz AESBBMSADUYKQZ-ZDUSSCGKSA-N 1 3 268.405 -0.179 20 0 CBADHO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000584871586 355040881 /nfs/dbraw/zinc/04/08/81/355040881.db2.gz HZLLJKPJOVOBFT-RISCZKNCSA-N 1 3 282.388 -0.411 20 0 CBADHO C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000584871586 355040882 /nfs/dbraw/zinc/04/08/82/355040882.db2.gz HZLLJKPJOVOBFT-RISCZKNCSA-N 1 3 282.388 -0.411 20 0 CBADHO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000584871585 355041008 /nfs/dbraw/zinc/04/10/08/355041008.db2.gz HZLLJKPJOVOBFT-FZMZJTMJSA-N 1 3 282.388 -0.411 20 0 CBADHO C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000584871585 355041010 /nfs/dbraw/zinc/04/10/10/355041010.db2.gz HZLLJKPJOVOBFT-FZMZJTMJSA-N 1 3 282.388 -0.411 20 0 CBADHO C[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)[C@H](C)C[NH2+]1 ZINC000582062569 355006615 /nfs/dbraw/zinc/00/66/15/355006615.db2.gz OWSSRWMQDUEHGG-UPJWGTAASA-N 1 3 268.405 -0.134 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000582171582 355009434 /nfs/dbraw/zinc/00/94/34/355009434.db2.gz UHXYSBCUZPCTPV-CYBMUJFWSA-N 1 3 283.420 -0.374 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000582600925 355016638 /nfs/dbraw/zinc/01/66/38/355016638.db2.gz JGZTZCAOSHZUEH-GHMZBOCLSA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000583497823 355018210 /nfs/dbraw/zinc/01/82/10/355018210.db2.gz JVBBVFDYBOENQS-QWRGUYRKSA-N 1 3 255.362 -0.036 20 0 CBADHO NC(=O)NC(=O)CC[NH2+]C[C@H](O)CN1CCCCC1 ZINC000583564892 355020238 /nfs/dbraw/zinc/02/02/38/355020238.db2.gz IVFKHKAHDVGARS-JTQLQIEISA-N 1 3 272.349 -0.992 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000583872462 355024094 /nfs/dbraw/zinc/02/40/94/355024094.db2.gz JXYRMNPUQUCUQU-CHWSQXEVSA-N 1 3 268.405 -0.180 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)NC[C@](C)(O)CN(C)C ZINC000583984222 355026310 /nfs/dbraw/zinc/02/63/10/355026310.db2.gz IIJOOEAHNNTOSK-ZDUSSCGKSA-N 1 3 274.409 -0.014 20 0 CBADHO CC(C)[NH2+]CCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000583984221 355026517 /nfs/dbraw/zinc/02/65/17/355026517.db2.gz IIJOOEAHNNTOSK-CYBMUJFWSA-N 1 3 274.409 -0.014 20 0 CBADHO CCN1CCN(CCC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000583997107 355027118 /nfs/dbraw/zinc/02/71/18/355027118.db2.gz UDLBHSADFDSIOE-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CSCC[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469267 355155701 /nfs/dbraw/zinc/15/57/01/355155701.db2.gz ZKLDQAVNAFELBW-NSHDSACASA-N 1 3 274.434 -0.570 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594877939 355266784 /nfs/dbraw/zinc/26/67/84/355266784.db2.gz FMMXIXFFOGTEPZ-USZNOCQGSA-N 1 3 280.372 -0.855 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594879714 355268145 /nfs/dbraw/zinc/26/81/45/355268145.db2.gz KZPCEBNSQMQTJC-GRYCIOLGSA-N 1 3 280.372 -0.711 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419429046 295901716 /nfs/dbraw/zinc/90/17/16/295901716.db2.gz UKVUQCZSIVXCKA-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO COC(=O)CCN1CC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000595891585 355314874 /nfs/dbraw/zinc/31/48/74/355314874.db2.gz ICIOVEKZGYXYKR-GFCCVEGCSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939179 355321333 /nfs/dbraw/zinc/32/13/33/355321333.db2.gz GJRYLFTZLYNESY-VHSXEESVSA-N 1 3 259.350 -0.277 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000595964947 355330595 /nfs/dbraw/zinc/33/05/95/355330595.db2.gz OJFPOVSUTHVIKC-SECBINFHSA-N 1 3 257.334 -0.345 20 0 CBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595266061 355276135 /nfs/dbraw/zinc/27/61/35/355276135.db2.gz YDAHJMNPYMGRFV-YFKTTZPYSA-N 1 3 295.387 -0.920 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595262841 355276186 /nfs/dbraw/zinc/27/61/86/355276186.db2.gz FOUQOPXRQCVEHA-SDDRHHMPSA-N 1 3 295.387 -0.966 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000595266080 355276507 /nfs/dbraw/zinc/27/65/07/355276507.db2.gz YYLLRKWOBMPCSW-WRWGMCAJSA-N 1 3 295.387 -0.790 20 0 CBADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCNC2=O)CC[NH2+]CC1 ZINC000596646254 355361477 /nfs/dbraw/zinc/36/14/77/355361477.db2.gz TZOCLHFMXLFZIZ-MNOVXSKESA-N 1 3 283.372 -0.214 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000598680446 355449917 /nfs/dbraw/zinc/44/99/17/355449917.db2.gz BVCPOCNNUUOFNX-BXUZGUMPSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000598680446 355449918 /nfs/dbraw/zinc/44/99/18/355449918.db2.gz BVCPOCNNUUOFNX-BXUZGUMPSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000598680449 355450150 /nfs/dbraw/zinc/45/01/50/355450150.db2.gz BVCPOCNNUUOFNX-SMDDNHRTSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000598680449 355450154 /nfs/dbraw/zinc/45/01/54/355450154.db2.gz BVCPOCNNUUOFNX-SMDDNHRTSA-N 1 3 283.372 -0.179 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000600708869 355561958 /nfs/dbraw/zinc/56/19/58/355561958.db2.gz HUCRLVLQZIDNFJ-WDEREUQCSA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000600708869 355561964 /nfs/dbraw/zinc/56/19/64/355561964.db2.gz HUCRLVLQZIDNFJ-WDEREUQCSA-N 1 3 271.361 -0.227 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000599933167 355519082 /nfs/dbraw/zinc/51/90/82/355519082.db2.gz CZRWUXZNPQQTRZ-WISYIIOYSA-N 1 3 295.387 -0.920 20 0 CBADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000600708865 355562363 /nfs/dbraw/zinc/56/23/63/355562363.db2.gz HUCRLVLQZIDNFJ-GHMZBOCLSA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000600708865 355562364 /nfs/dbraw/zinc/56/23/64/355562364.db2.gz HUCRLVLQZIDNFJ-GHMZBOCLSA-N 1 3 271.361 -0.227 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](N)C[C@H]1C ZINC000601330555 355587738 /nfs/dbraw/zinc/58/77/38/355587738.db2.gz UVSHUIHJFPSLSD-NXEZZACHSA-N 1 3 257.334 -0.571 20 0 CBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](N)C[C@H]1C ZINC000601330555 355587741 /nfs/dbraw/zinc/58/77/41/355587741.db2.gz UVSHUIHJFPSLSD-NXEZZACHSA-N 1 3 257.334 -0.571 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N(C)C ZINC000600761399 355565746 /nfs/dbraw/zinc/56/57/46/355565746.db2.gz PKYQCULZLHZJPA-OUAUKWLOSA-N 1 3 268.361 -0.903 20 0 CBADHO CN(C)C(C)(C)CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602467146 355652138 /nfs/dbraw/zinc/65/21/38/355652138.db2.gz KWICGOPTMDGGDY-LJQANCHMSA-N 1 3 289.445 -0.057 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528987 355658384 /nfs/dbraw/zinc/65/83/84/355658384.db2.gz DJVUCSGHZNRJRX-NXEZZACHSA-N 1 3 269.345 -0.332 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602551407 355661181 /nfs/dbraw/zinc/66/11/81/355661181.db2.gz CXNVLFAELANBAS-BBBLOLIVSA-N 1 3 257.334 -0.476 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601974009 355623726 /nfs/dbraw/zinc/62/37/26/355623726.db2.gz KOVZWWCZLPNZFN-NRUUGDAUSA-N 1 3 269.345 -0.475 20 0 CBADHO CC(C)[C@H](C[NH3+])CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000602021601 355625614 /nfs/dbraw/zinc/62/56/14/355625614.db2.gz QBRBGDXOUZPRLV-GRYCIOLGSA-N 1 3 254.378 -0.539 20 0 CBADHO COC(=O)[C@H]1CNCCCN1CC12CC(C1)C[NH2+]2 ZINC000602022234 355625760 /nfs/dbraw/zinc/62/57/60/355625760.db2.gz RZFCBZYDTBLPIM-QWKFWESOSA-N 1 3 253.346 -0.425 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000612544389 355839478 /nfs/dbraw/zinc/83/94/78/355839478.db2.gz BXROSQDPTXBMDJ-CYBMUJFWSA-N 1 3 298.431 -0.003 20 0 CBADHO CN1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](CN)C1 ZINC000612994392 355860645 /nfs/dbraw/zinc/86/06/45/355860645.db2.gz SNHVVSIWCCPPOW-NEPJUHHUSA-N 1 3 281.404 -0.587 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](CO)CN(C)C ZINC000614847673 355988836 /nfs/dbraw/zinc/98/88/36/355988836.db2.gz NEGJIBLJBKEUPU-TUAOUCFPSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CO)CN(C)C ZINC000614847673 355988841 /nfs/dbraw/zinc/98/88/41/355988841.db2.gz NEGJIBLJBKEUPU-TUAOUCFPSA-N 1 3 257.378 -0.102 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000614858071 355994607 /nfs/dbraw/zinc/99/46/07/355994607.db2.gz LPNVFQXORNFMLL-NSHDSACASA-N 1 3 283.376 -0.903 20 0 CBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CN(C)C ZINC000617505049 356138968 /nfs/dbraw/zinc/13/89/68/356138968.db2.gz VBJFFLWRWKFWAZ-LBPRGKRZSA-N 1 3 258.410 -0.064 20 0 CBADHO CCN(C(=O)[C@H]1CN2CCN1CCC2)[C@@H]1CC[N@H+](C)C1 ZINC000617553682 356142159 /nfs/dbraw/zinc/14/21/59/356142159.db2.gz NXZJSFVEYOIWHC-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO CCN(C(=O)[C@H]1CN2CCN1CCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000617553682 356142161 /nfs/dbraw/zinc/14/21/61/356142161.db2.gz NXZJSFVEYOIWHC-ZIAGYGMSSA-N 1 3 280.416 -0.071 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621698688 356281122 /nfs/dbraw/zinc/28/11/22/356281122.db2.gz CTUQWKXASNDDIG-SCDSUCTJSA-N 1 3 282.388 -0.574 20 0 CBADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000621665116 356279740 /nfs/dbraw/zinc/27/97/40/356279740.db2.gz QVQRBGAZXBMAIW-NEPJUHHUSA-N 1 3 255.362 -0.129 20 0 CBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@H]1CNCCO1)C2 ZINC000621684367 356280712 /nfs/dbraw/zinc/28/07/12/356280712.db2.gz LIMUDQPKBSKUIO-GVXVVHGQSA-N 1 3 253.346 -0.295 20 0 CBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCOC1CNC1)C2 ZINC000621684509 356280742 /nfs/dbraw/zinc/28/07/42/356280742.db2.gz NKECBLQOSZFCIW-GWCFXTLKSA-N 1 3 253.346 -0.295 20 0 CBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621839031 356289244 /nfs/dbraw/zinc/28/92/44/356289244.db2.gz MWLGLXLBHQYBGL-NHYWBVRUSA-N 1 3 294.399 -0.463 20 0 CBADHO CC(C)C[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623831614 356378669 /nfs/dbraw/zinc/37/86/69/356378669.db2.gz PFQXSRYZEKOKRW-UHFFFAOYSA-N 1 3 265.365 -0.349 20 0 CBADHO CC(C)[N@@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623901825 356381006 /nfs/dbraw/zinc/38/10/06/356381006.db2.gz SUKOZQPIYULYQT-QMMMGPOBSA-N 1 3 251.338 -0.739 20 0 CBADHO CC(C)[N@H+]1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623901825 356381008 /nfs/dbraw/zinc/38/10/08/356381008.db2.gz SUKOZQPIYULYQT-QMMMGPOBSA-N 1 3 251.338 -0.739 20 0 CBADHO CCC[N@@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623885095 356381525 /nfs/dbraw/zinc/38/15/25/356381525.db2.gz QCVXDDJHKYEPKR-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO CCC[N@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623885095 356381528 /nfs/dbraw/zinc/38/15/28/356381528.db2.gz QCVXDDJHKYEPKR-MRVPVSSYSA-N 1 3 251.338 -0.738 20 0 CBADHO CC[NH+]1CCC(CCNc2nc(N)nc(N)n2)CC1 ZINC000623997591 356388230 /nfs/dbraw/zinc/38/82/30/356388230.db2.gz RNKGXGSXZFYYEA-UHFFFAOYSA-N 1 3 265.365 -0.347 20 0 CBADHO C[NH+]1CCC([C@@H]2CCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000624065106 356395797 /nfs/dbraw/zinc/39/57/97/356395797.db2.gz XEQQLIUZFIWQJZ-SNVBAGLBSA-N 1 3 277.376 -0.135 20 0 CBADHO C[NH+]1CCC2(CCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000624231803 356406349 /nfs/dbraw/zinc/40/63/49/356406349.db2.gz LIUBZKCWWGVNMO-UHFFFAOYSA-N 1 3 263.349 -0.381 20 0 CBADHO C[NH2+]CCOCCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000625865517 356494860 /nfs/dbraw/zinc/49/48/60/356494860.db2.gz OLEDQPKDVSLRFY-UHFFFAOYSA-N 1 3 298.391 -0.198 20 0 CBADHO CN(C)CCn1nccc1NC(=O)N(C)CCOCC[NH3+] ZINC000625891097 356496406 /nfs/dbraw/zinc/49/64/06/356496406.db2.gz JXWSGFUAQHMJFG-UHFFFAOYSA-N 1 3 298.391 -0.116 20 0 CBADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000626945582 356558781 /nfs/dbraw/zinc/55/87/81/356558781.db2.gz KJBIDVNJDRBCLI-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO CN1CCC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946097 356559209 /nfs/dbraw/zinc/55/92/09/356559209.db2.gz RNQGDJBOBQJXRL-NSHDSACASA-N 1 3 270.377 -0.112 20 0 CBADHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)CN1CCN(C)CC1 ZINC000626987150 356563568 /nfs/dbraw/zinc/56/35/68/356563568.db2.gz YXGBUOBZBDQVJT-HZSPNIEDSA-N 1 3 297.447 -0.081 20 0 CBADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)[C@H](C)CN1 ZINC000627146878 356588842 /nfs/dbraw/zinc/58/88/42/356588842.db2.gz BUQYNWJMXBBEGT-GHMZBOCLSA-N 1 3 270.377 -0.114 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(O)CCN(C)CC1 ZINC000627167142 356591863 /nfs/dbraw/zinc/59/18/63/356591863.db2.gz XTQQMAYZTGMCDL-NWDGAFQWSA-N 1 3 284.404 -0.117 20 0 CBADHO COCCNCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082135 356577265 /nfs/dbraw/zinc/57/72/65/356577265.db2.gz COFPWILPWDNWKH-GHMZBOCLSA-N 1 3 258.366 -0.338 20 0 CBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000627174463 356594343 /nfs/dbraw/zinc/59/43/43/356594343.db2.gz OQQCZNXWCJAOML-STQMWFEESA-N 1 3 284.404 -0.042 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C[NH2+]1 ZINC000627101326 356582735 /nfs/dbraw/zinc/58/27/35/356582735.db2.gz BKDQJOCULUFISR-OUAUKWLOSA-N 1 3 256.350 -0.586 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CNCCO2)C[NH2+]1 ZINC000627101320 356582830 /nfs/dbraw/zinc/58/28/30/356582830.db2.gz BKDQJOCULUFISR-GMTAPVOTSA-N 1 3 256.350 -0.586 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[NH2+]1 ZINC000627118025 356586819 /nfs/dbraw/zinc/58/68/19/356586819.db2.gz NEOOQWTUMVURQR-RKDXNWHRSA-N 1 3 294.359 -0.419 20 0 CBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250366 356613217 /nfs/dbraw/zinc/61/32/17/356613217.db2.gz JEMLOFHIZWDFDB-QWHCGFSZSA-N 1 3 283.420 -0.327 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(CCCO)C1 ZINC000627251754 356614160 /nfs/dbraw/zinc/61/41/60/356614160.db2.gz ZIOKEEBWPUHPFM-NEPJUHHUSA-N 1 3 270.377 -0.506 20 0 CBADHO C[C@@H]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210901 356605839 /nfs/dbraw/zinc/60/58/39/356605839.db2.gz XNEXIRVCYPSOJE-FVCCEPFGSA-N 1 3 282.388 -0.413 20 0 CBADHO C[C@H]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627210904 356605888 /nfs/dbraw/zinc/60/58/88/356605888.db2.gz XNEXIRVCYPSOJE-ZDEQEGDKSA-N 1 3 282.388 -0.413 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000627349574 356630397 /nfs/dbraw/zinc/63/03/97/356630397.db2.gz SCPYJLAAXYTQPN-ZYHUDNBSSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)NCCN(CC)C1CC1 ZINC000627364963 356632498 /nfs/dbraw/zinc/63/24/98/356632498.db2.gz BIKDPFKJNDKGHI-UHFFFAOYSA-N 1 3 270.377 -0.606 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000627369282 356634116 /nfs/dbraw/zinc/63/41/16/356634116.db2.gz PUAJGYFBYYJXER-LLVKDONJSA-N 1 3 286.420 -0.114 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC[N@@H+]1C ZINC000627270196 356618447 /nfs/dbraw/zinc/61/84/47/356618447.db2.gz DNEXGOQTTSIAGU-ZOBORPQBSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC[N@H+]1C ZINC000627270196 356618449 /nfs/dbraw/zinc/61/84/49/356618449.db2.gz DNEXGOQTTSIAGU-ZOBORPQBSA-N 1 3 281.400 -0.006 20 0 CBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C1CC1 ZINC000627372410 356635217 /nfs/dbraw/zinc/63/52/17/356635217.db2.gz LLTGRLYDALVCEY-JFGNBEQYSA-N 1 3 282.388 -0.548 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000627304626 356622823 /nfs/dbraw/zinc/62/28/23/356622823.db2.gz AKEPSIGKPVDQJJ-MROQNXINSA-N 1 3 296.415 -0.158 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)C[NH2+]1 ZINC000627341958 356628922 /nfs/dbraw/zinc/62/89/22/356628922.db2.gz SJBMKIVSHVMNNS-NEPJUHHUSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425240 356644400 /nfs/dbraw/zinc/64/44/00/356644400.db2.gz IZEVYQFQXKHYLK-STQMWFEESA-N 1 3 296.415 -0.073 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425234 356644995 /nfs/dbraw/zinc/64/49/95/356644995.db2.gz IXKCTUYCXQEEAO-UPJWGTAASA-N 1 3 294.399 -0.402 20 0 CBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425231 356645021 /nfs/dbraw/zinc/64/50/21/356645021.db2.gz IXKCTUYCXQEEAO-AGIUHOORSA-N 1 3 294.399 -0.402 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000627458487 356649302 /nfs/dbraw/zinc/64/93/02/356649302.db2.gz HWFSBCAKKYEVDL-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000627458470 356649333 /nfs/dbraw/zinc/64/93/33/356649333.db2.gz HFBJZTDAIJUINY-FRRDWIJNSA-N 1 3 296.415 -0.156 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627380656 356636084 /nfs/dbraw/zinc/63/60/84/356636084.db2.gz VQGNMSNYMLRTCL-GFCCVEGCSA-N 1 3 282.388 -0.606 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627389480 356636965 /nfs/dbraw/zinc/63/69/65/356636965.db2.gz GAEWNIULSXNTDZ-UHFFFAOYSA-N 1 3 258.366 -0.748 20 0 CBADHO CCN(CCN)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627394367 356638136 /nfs/dbraw/zinc/63/81/36/356638136.db2.gz FKFPXENDCBYHIT-UHFFFAOYSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398676 356639070 /nfs/dbraw/zinc/63/90/70/356639070.db2.gz TWANVDXTVMUFGA-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CCN(CCN)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398676 356639074 /nfs/dbraw/zinc/63/90/74/356639074.db2.gz TWANVDXTVMUFGA-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507576 356661697 /nfs/dbraw/zinc/66/16/97/356661697.db2.gz YHSOBOAUIXWUOA-MNOVXSKESA-N 1 3 268.361 -0.983 20 0 CBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507397 356661710 /nfs/dbraw/zinc/66/17/10/356661710.db2.gz QPPNKEBWVFSVRR-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507515 356661755 /nfs/dbraw/zinc/66/17/55/356661755.db2.gz WEIXUFZCDUCGMY-MNOVXSKESA-N 1 3 282.388 -0.547 20 0 CBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C[NH2+]1 ZINC000627476709 356653434 /nfs/dbraw/zinc/65/34/34/356653434.db2.gz JYVNWWKDGXMRCF-NWDGAFQWSA-N 1 3 296.415 -0.204 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000627502321 356658918 /nfs/dbraw/zinc/65/89/18/356658918.db2.gz RXDLVGDSVNYBSD-YVECIDJPSA-N 1 3 296.415 -0.206 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000627502951 356659047 /nfs/dbraw/zinc/65/90/47/356659047.db2.gz UJRNJJNUSPKACK-RVMXOQNASA-N 1 3 296.415 -0.348 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000627502953 356659259 /nfs/dbraw/zinc/65/92/59/356659259.db2.gz UJRNJJNUSPKACK-XQHKEYJVSA-N 1 3 296.415 -0.348 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000627503115 356659703 /nfs/dbraw/zinc/65/97/03/356659703.db2.gz ZHLPQALISHRWEP-CMPLNLGQSA-N 1 3 282.388 -0.594 20 0 CBADHO C[NH2+]CCOCCN(C)CCCS(=O)(=O)N(C)C ZINC000629570525 356781163 /nfs/dbraw/zinc/78/11/63/356781163.db2.gz CZYNLAGYFQXNQL-UHFFFAOYSA-N 1 3 281.422 -0.564 20 0 CBADHO CNC(=O)CN1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629554171 356778923 /nfs/dbraw/zinc/77/89/23/356778923.db2.gz BQLOPMWSIBGLAU-AWEZNQCLSA-N 1 3 298.431 -0.757 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NCCCN1CCC[C@H]1C(N)=O ZINC000629515698 356775781 /nfs/dbraw/zinc/77/57/81/356775781.db2.gz UJOJDUJXWUVCEB-XQQFMLRXSA-N 1 3 268.405 -0.086 20 0 CBADHO C[N@H+](C[C@@H](O)CNCCN1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787978 /nfs/dbraw/zinc/78/79/78/356787978.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 1 3 257.378 -0.902 20 0 CBADHO C[N@@H+](C[C@@H](O)CNCCN1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787979 /nfs/dbraw/zinc/78/79/79/356787979.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 1 3 257.378 -0.902 20 0 CBADHO CN(C[C@@H](O)C[NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787983 /nfs/dbraw/zinc/78/79/83/356787983.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 1 3 257.378 -0.902 20 0 CBADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](CC(N)=O)C2)CC[NH2+]1 ZINC000629666883 356789330 /nfs/dbraw/zinc/78/93/30/356789330.db2.gz RXIYXKPZASEQBW-WOPDTQHZSA-N 1 3 255.362 -0.049 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000629790292 356793383 /nfs/dbraw/zinc/79/33/83/356793383.db2.gz CPVHNJXQEOOZQG-GFCCVEGCSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000629790292 356793386 /nfs/dbraw/zinc/79/33/86/356793386.db2.gz CPVHNJXQEOOZQG-GFCCVEGCSA-N 1 3 284.404 -0.406 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000629792257 356793439 /nfs/dbraw/zinc/79/34/39/356793439.db2.gz JGSMGWLYXHQPSA-ZDUSSCGKSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000629789658 356793516 /nfs/dbraw/zinc/79/35/16/356793516.db2.gz VASNRUOSGBLYIO-UHFFFAOYSA-N 1 3 286.420 -0.160 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)C(C)C ZINC000629800851 356794955 /nfs/dbraw/zinc/79/49/55/356794955.db2.gz CEWMWVKABXIHBC-UHFFFAOYSA-N 1 3 272.393 -0.408 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000629800203 356795164 /nfs/dbraw/zinc/79/51/64/356795164.db2.gz XRHRVUVMJHHUCI-UHFFFAOYSA-N 1 3 296.415 -0.120 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000629798034 356795386 /nfs/dbraw/zinc/79/53/86/356795386.db2.gz HVVORXFIYQYTJA-NEPJUHHUSA-N 1 3 282.388 -0.511 20 0 CBADHO CCN(CCN)C(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000629800102 356795692 /nfs/dbraw/zinc/79/56/92/356795692.db2.gz NXTOFZKCNFORHX-UHFFFAOYSA-N 1 3 272.393 -0.406 20 0 CBADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000629804071 356796176 /nfs/dbraw/zinc/79/61/76/356796176.db2.gz SBPVFKHJGCABFV-GFCCVEGCSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN(CC[NH3+])C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000629801520 356796590 /nfs/dbraw/zinc/79/65/90/356796590.db2.gz HAIIYUSYCXBSFW-UHFFFAOYSA-N 1 3 270.377 -0.654 20 0 CBADHO C[NH2+]C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCC1 ZINC000630002093 356815140 /nfs/dbraw/zinc/81/51/40/356815140.db2.gz OSAXQHOTYCZXCP-LBPRGKRZSA-N 1 3 266.389 -0.365 20 0 CBADHO CS(=O)(=O)NC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629576678 356781734 /nfs/dbraw/zinc/78/17/34/356781734.db2.gz BRUCOVDWMKFPKS-MCIGGMRASA-N 1 3 291.417 -0.887 20 0 CBADHO O[C@H](C[NH2+]CCN1CCCOCC1)CN1CCCC1 ZINC000629576496 356781775 /nfs/dbraw/zinc/78/17/75/356781775.db2.gz MTJSWINHRROUAJ-CQSZACIVSA-N 1 3 271.405 -0.245 20 0 CBADHO OCCCN1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583878 356784017 /nfs/dbraw/zinc/78/40/17/356784017.db2.gz JWDBIXKBPHEVSM-CABCVRRESA-N 1 3 285.432 -0.121 20 0 CBADHO OCCCN1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583880 356784204 /nfs/dbraw/zinc/78/42/04/356784204.db2.gz JWDBIXKBPHEVSM-HUUCEWRRSA-N 1 3 285.432 -0.121 20 0 CBADHO OC[C@H](CN1CCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596050 356784641 /nfs/dbraw/zinc/78/46/41/356784641.db2.gz QTTNURBNPXSDSH-UONOGXRCSA-N 1 3 271.405 -0.511 20 0 CBADHO OC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000629598102 356785071 /nfs/dbraw/zinc/78/50/71/356785071.db2.gz WBMZACILBIDCTC-RDBSUJKOSA-N 1 3 272.389 -0.180 20 0 CBADHO OC[C@H](CN1CCCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629596027 356785075 /nfs/dbraw/zinc/78/50/75/356785075.db2.gz QADQRNGGCSXGER-LSDHHAIUSA-N 1 3 285.432 -0.121 20 0 CBADHO CN1CCOC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000629600080 356785225 /nfs/dbraw/zinc/78/52/25/356785225.db2.gz RHLVXQSGWKWINI-STQMWFEESA-N 1 3 257.378 -0.637 20 0 CBADHO CC[C@@H](NC(C)=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000630931385 356867777 /nfs/dbraw/zinc/86/77/77/356867777.db2.gz QGBNWOJGJHZWJB-CYBMUJFWSA-N 1 3 286.420 -0.147 20 0 CBADHO CO[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630358390 356837588 /nfs/dbraw/zinc/83/75/88/356837588.db2.gz AOLDPTANYJDVHP-DYEKYZERSA-N 1 3 285.388 -0.280 20 0 CBADHO CO[C@@H]1CN(C(=O)[C@H](N)CC(F)F)[C@@](C)(C[NH3+])C1 ZINC000630373484 356840125 /nfs/dbraw/zinc/84/01/25/356840125.db2.gz KGSPWAYVQFIZDN-VAOFZXAKSA-N 1 3 265.304 -0.066 20 0 CBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000631837302 356911068 /nfs/dbraw/zinc/91/10/68/356911068.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 1 3 268.405 -0.323 20 0 CBADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)C[C@H]1CN ZINC000631837302 356911071 /nfs/dbraw/zinc/91/10/71/356911071.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 1 3 268.405 -0.323 20 0 CBADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@H]1CN ZINC000631837302 356911074 /nfs/dbraw/zinc/91/10/74/356911074.db2.gz QQFHAFFGEYFTMT-CHWSQXEVSA-N 1 3 268.405 -0.323 20 0 CBADHO CN(C)CCCS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631901861 356918281 /nfs/dbraw/zinc/91/82/81/356918281.db2.gz QFMYCUIUKMCTNA-UHFFFAOYSA-N 1 3 263.407 -0.048 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000631907913 356921112 /nfs/dbraw/zinc/92/11/12/356921112.db2.gz XDELOEHEZHHEQO-MNOVXSKESA-N 1 3 279.406 -0.684 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000631907914 356921244 /nfs/dbraw/zinc/92/12/44/356921244.db2.gz XDELOEHEZHHEQO-QWRGUYRKSA-N 1 3 279.406 -0.684 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000631930162 356925559 /nfs/dbraw/zinc/92/55/59/356925559.db2.gz YNBNUYQDWJBDFW-LBPRGKRZSA-N 1 3 275.418 -0.047 20 0 CBADHO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631931580 356925567 /nfs/dbraw/zinc/92/55/67/356925567.db2.gz LIEUWGRRJNESPZ-GHMZBOCLSA-N 1 3 263.407 -0.063 20 0 CBADHO C[C@H]1CCNC[C@@H]1NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631935735 356928195 /nfs/dbraw/zinc/92/81/95/356928195.db2.gz ZEKZSMLYYZAVLE-JQWIXIFHSA-N 1 3 290.433 -0.497 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000631936059 356928394 /nfs/dbraw/zinc/92/83/94/356928394.db2.gz RKZPKKMNMRYGOI-NSHDSACASA-N 1 3 263.407 -0.061 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000631942453 356930251 /nfs/dbraw/zinc/93/02/51/356930251.db2.gz YDGWGVXWTXLMQY-LLVKDONJSA-N 1 3 263.407 0.000 20 0 CBADHO CN(C)CCCS(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000631947434 356931575 /nfs/dbraw/zinc/93/15/75/356931575.db2.gz CPHMQVCFBHUKMD-UHFFFAOYSA-N 1 3 263.407 -0.014 20 0 CBADHO CC1(OCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)CNC1 ZINC000632862680 357029204 /nfs/dbraw/zinc/02/92/04/357029204.db2.gz UOLRNTYMBIRZDT-NEPJUHHUSA-N 1 3 267.373 -0.035 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633079105 357040609 /nfs/dbraw/zinc/04/06/09/357040609.db2.gz RWYXXOPIVSSLTD-STQMWFEESA-N 1 3 296.415 -0.395 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086415 357041834 /nfs/dbraw/zinc/04/18/34/357041834.db2.gz RYAIDWCZDFASPD-BETUJISGSA-N 1 3 294.399 -0.497 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098041 357044601 /nfs/dbraw/zinc/04/46/01/357044601.db2.gz JUIHSNHQCREIHB-JQWIXIFHSA-N 1 3 280.372 -0.888 20 0 CBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1C ZINC000633095393 357044624 /nfs/dbraw/zinc/04/46/24/357044624.db2.gz UVGCQVCAZJKCBK-XQHKEYJVSA-N 1 3 294.399 -0.500 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000633120853 357050775 /nfs/dbraw/zinc/05/07/75/357050775.db2.gz VEWCJGAKHFHNBP-CHWSQXEVSA-N 1 3 296.415 -0.121 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](CN)C1 ZINC000634272318 357113981 /nfs/dbraw/zinc/11/39/81/357113981.db2.gz ZWBFMWPLPQGJHQ-NEPJUHHUSA-N 1 3 269.393 -0.587 20 0 CBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H]1CNCCO1)C2 ZINC000634750115 357132710 /nfs/dbraw/zinc/13/27/10/357132710.db2.gz NKPHKYDBDRHIKL-BNOWGMLFSA-N 1 3 267.373 -0.177 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634762443 357133364 /nfs/dbraw/zinc/13/33/64/357133364.db2.gz XKFOCJIYTBTERW-YPMHNXCESA-N 1 3 298.431 -0.020 20 0 CBADHO CC(C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)S(C)(=O)=O ZINC000634767015 357133997 /nfs/dbraw/zinc/13/39/97/357133997.db2.gz FLZPOUUATFSEHJ-KKZNHRDASA-N 1 3 260.359 -0.322 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000634765640 357134430 /nfs/dbraw/zinc/13/44/30/357134430.db2.gz XZEWIYWKEWUKHP-GFCCVEGCSA-N 1 3 268.405 -0.214 20 0 CBADHO C[C@]12CN(C[C@@]3(C)CC[NH2+]C3)C[C@@]1(C)C(=O)NC2=O ZINC000634999462 357142328 /nfs/dbraw/zinc/14/23/28/357142328.db2.gz UYSXVDRIGIXKQP-MELADBBJSA-N 1 3 265.357 -0.029 20 0 CBADHO C[C@]1(CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC[NH2+]C1 ZINC000634999460 357142628 /nfs/dbraw/zinc/14/26/28/357142628.db2.gz UYSXVDRIGIXKQP-IHRRRGAJSA-N 1 3 265.357 -0.029 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NCCN)C[NH+]1CCCCC1 ZINC000419839256 295942538 /nfs/dbraw/zinc/94/25/38/295942538.db2.gz QCNHIXQCRDLNPN-NSHDSACASA-N 1 3 270.377 -0.701 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000635928432 357234597 /nfs/dbraw/zinc/23/45/97/357234597.db2.gz GHXHJHYGGWPXIK-RDBSUJKOSA-N 1 3 281.400 -0.004 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000635928432 357234603 /nfs/dbraw/zinc/23/46/03/357234603.db2.gz GHXHJHYGGWPXIK-RDBSUJKOSA-N 1 3 281.400 -0.004 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000635947958 357237870 /nfs/dbraw/zinc/23/78/70/357237870.db2.gz GJMPGPIJWXMPTR-WOPDTQHZSA-N 1 3 255.362 -0.539 20 0 CBADHO CN(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000635947958 357237873 /nfs/dbraw/zinc/23/78/73/357237873.db2.gz GJMPGPIJWXMPTR-WOPDTQHZSA-N 1 3 255.362 -0.539 20 0 CBADHO C[N@@H+]1CCC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636624528 357294079 /nfs/dbraw/zinc/29/40/79/357294079.db2.gz VWGRJRAUZTUXGJ-NEPJUHHUSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@H+]1CCC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636624528 357294081 /nfs/dbraw/zinc/29/40/81/357294081.db2.gz VWGRJRAUZTUXGJ-NEPJUHHUSA-N 1 3 270.377 -0.554 20 0 CBADHO C[N@@H+](CCNC(=O)NCCN1CC[C@@H](O)C1)C1CC1 ZINC000636777015 357302703 /nfs/dbraw/zinc/30/27/03/357302703.db2.gz LDZQJHXSGGTQMO-GFCCVEGCSA-N 1 3 270.377 -0.554 20 0 CBADHO CN(C)CCN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1=O ZINC000636119258 357264262 /nfs/dbraw/zinc/26/42/62/357264262.db2.gz IPOOYDDSYPSKNO-UHFFFAOYSA-N 1 3 296.415 -0.439 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)CCNC1=O ZINC000636160294 357268221 /nfs/dbraw/zinc/26/82/21/357268221.db2.gz CRWDPQICWMDHSQ-WFASDCNBSA-N 1 3 298.431 -0.099 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)CCNC1=O ZINC000636160294 357268226 /nfs/dbraw/zinc/26/82/26/357268226.db2.gz CRWDPQICWMDHSQ-WFASDCNBSA-N 1 3 298.431 -0.099 20 0 CBADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812357 357369750 /nfs/dbraw/zinc/36/97/50/357369750.db2.gz RRKUGBIDDBPVLU-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CN2CCC[C@H]2CO1 ZINC000637832534 357372963 /nfs/dbraw/zinc/37/29/63/357372963.db2.gz IJIZBYMEFMIMFD-RWMBFGLXSA-N 1 3 267.373 -0.035 20 0 CBADHO N[C@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000637833615 357373833 /nfs/dbraw/zinc/37/38/33/357373833.db2.gz UVTLZPMAGOOLJQ-CYBMUJFWSA-N 1 3 262.357 -0.292 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637847063 357376138 /nfs/dbraw/zinc/37/61/38/357376138.db2.gz FZXGOVSJXBFRNN-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CN1CCNCC1 ZINC000637852732 357377231 /nfs/dbraw/zinc/37/72/31/357377231.db2.gz HSHSRRBONGDUKD-VXGBXAGGSA-N 1 3 254.378 -0.475 20 0 CBADHO CN(C)CCn1cc(C(=O)NCC(C)(C)[NH3+])cn1 ZINC000637857471 357377543 /nfs/dbraw/zinc/37/75/43/357377543.db2.gz LADVSDHVRIXHNJ-UHFFFAOYSA-N 1 3 253.350 -0.088 20 0 CBADHO C[NH2+]C[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637800055 357365323 /nfs/dbraw/zinc/36/53/23/357365323.db2.gz WVQLLHPZMRIWAO-GFCCVEGCSA-N 1 3 254.378 -0.650 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN1CCNCC1 ZINC000638231522 357440535 /nfs/dbraw/zinc/44/05/35/357440535.db2.gz QCDCWJKGVFRMGL-WZRBSPASSA-N 1 3 254.378 -0.606 20 0 CBADHO N[C@H]1CCO[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638238362 357441582 /nfs/dbraw/zinc/44/15/82/357441582.db2.gz XOJYECCHTOLHCQ-FIQHERPVSA-N 1 3 255.362 -0.016 20 0 CBADHO CN1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638050972 357406037 /nfs/dbraw/zinc/40/60/37/357406037.db2.gz WLMRXZMTXAAOKZ-CYBMUJFWSA-N 1 3 255.362 -0.048 20 0 CBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000638243035 357442130 /nfs/dbraw/zinc/44/21/30/357442130.db2.gz JQKLFJTYOBKZIN-ZIQFBCGOSA-N 1 3 251.330 -0.816 20 0 CBADHO C[NH+](C)CC1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638068360 357408341 /nfs/dbraw/zinc/40/83/41/357408341.db2.gz WOMDWDCACRNAAI-NWDGAFQWSA-N 1 3 255.362 -0.097 20 0 CBADHO CN1CCC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638075338 357411252 /nfs/dbraw/zinc/41/12/52/357411252.db2.gz DZVQYMCNSKBVST-AAEUAGOBSA-N 1 3 255.362 -0.048 20 0 CBADHO COCCN1CCC(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638078158 357412617 /nfs/dbraw/zinc/41/26/17/357412617.db2.gz DVIORVTYXGBYBQ-UKRRQHHQSA-N 1 3 299.415 -0.020 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098193 357415975 /nfs/dbraw/zinc/41/59/75/357415975.db2.gz FBXYNOOWPYFJRG-GRYCIOLGSA-N 1 3 271.361 -0.670 20 0 CBADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000638099578 357417309 /nfs/dbraw/zinc/41/73/09/357417309.db2.gz HUJUFGBTDJKHET-OLZOCXBDSA-N 1 3 297.399 -0.136 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638102869 357418054 /nfs/dbraw/zinc/41/80/54/357418054.db2.gz XGCOMVDZRKXEMH-CYBMUJFWSA-N 1 3 268.405 -0.118 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638123567 357421703 /nfs/dbraw/zinc/42/17/03/357421703.db2.gz PUXSTEGOEMQPSN-CQSZACIVSA-N 1 3 287.404 -0.174 20 0 CBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246690 357442805 /nfs/dbraw/zinc/44/28/05/357442805.db2.gz DGCNNSJWKNHVRM-GUDRVLHUSA-N 1 3 259.325 -0.430 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638130547 357422882 /nfs/dbraw/zinc/42/28/82/357422882.db2.gz JWSFYNPROHSBMR-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638130547 357422886 /nfs/dbraw/zinc/42/28/86/357422886.db2.gz JWSFYNPROHSBMR-GRYCIOLGSA-N 1 3 255.362 -0.097 20 0 CBADHO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638137001 357424275 /nfs/dbraw/zinc/42/42/75/357424275.db2.gz QFLURVNIHLRYCK-UKRRQHHQSA-N 1 3 298.431 -0.493 20 0 CBADHO CN1CCN(CCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137100 357424437 /nfs/dbraw/zinc/42/44/37/357424437.db2.gz RKMNIZGNQWYUKG-OAHLLOKOSA-N 1 3 298.431 -0.504 20 0 CBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638139211 357425238 /nfs/dbraw/zinc/42/52/38/357425238.db2.gz KEQUTNGIUUFPBT-HZSPNIEDSA-N 1 3 296.415 -0.659 20 0 CBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638139211 357425240 /nfs/dbraw/zinc/42/52/40/357425240.db2.gz KEQUTNGIUUFPBT-HZSPNIEDSA-N 1 3 296.415 -0.659 20 0 CBADHO COCC[NH2+]CCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000638151882 357425821 /nfs/dbraw/zinc/42/58/21/357425821.db2.gz GGIUTEXRVSTDFA-RYUDHWBXSA-N 1 3 271.361 -0.798 20 0 CBADHO COC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCCN1 ZINC000638152013 357427479 /nfs/dbraw/zinc/42/74/79/357427479.db2.gz CFZSBIRHVNOEKD-WCQYABFASA-N 1 3 255.362 -0.001 20 0 CBADHO C[C@]1(CNC(=O)CN2CCNCC2)CCC[NH2+]C1 ZINC000638162167 357428511 /nfs/dbraw/zinc/42/85/11/357428511.db2.gz DPRDEPVJIIBNQR-ZDUSSCGKSA-N 1 3 254.378 -0.603 20 0 CBADHO COC[C@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000638164025 357429151 /nfs/dbraw/zinc/42/91/51/357429151.db2.gz FYHKUOBALNBVQO-YPMHNXCESA-N 1 3 255.362 -0.129 20 0 CBADHO COC[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCCN1 ZINC000638213382 357435273 /nfs/dbraw/zinc/43/52/73/357435273.db2.gz IXCOXRGINKWTOS-SCRDCRAPSA-N 1 3 267.373 -0.177 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN1CCNCC1 ZINC000638231519 357440146 /nfs/dbraw/zinc/44/01/46/357440146.db2.gz QCDCWJKGVFRMGL-MDZLAQPJSA-N 1 3 254.378 -0.606 20 0 CBADHO C[NH2+]CCOCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638579352 357497992 /nfs/dbraw/zinc/49/79/92/357497992.db2.gz OZGMYTKCZWELGJ-TYNCELHUSA-N 1 3 299.415 -0.129 20 0 CBADHO C[NH2+]CCOCCNC(=O)CNC[C@H]1CCCO1 ZINC000638585305 357498721 /nfs/dbraw/zinc/49/87/21/357498721.db2.gz XLNROVUQAFDCAZ-LLVKDONJSA-N 1 3 259.350 -0.893 20 0 CBADHO O=C(CN1CCNCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638248417 357444403 /nfs/dbraw/zinc/44/44/03/357444403.db2.gz SHMZKCXWUHJNGN-RYUDHWBXSA-N 1 3 252.362 -0.898 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1cnn(CCN(C)C)c1 ZINC000638257792 357445346 /nfs/dbraw/zinc/44/53/46/357445346.db2.gz WWLBXNSYLILEPV-UWVGGRQHSA-N 1 3 253.350 -0.090 20 0 CBADHO CC(C)(O)CN1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC000638276710 357448314 /nfs/dbraw/zinc/44/83/14/357448314.db2.gz OWRFKIMDKIUZSK-UHFFFAOYSA-N 1 3 293.433 -0.640 20 0 CBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCOCCN(C)C)C1 ZINC000638290495 357451303 /nfs/dbraw/zinc/45/13/03/357451303.db2.gz HOOCEOOHUQNNIX-WCQYABFASA-N 1 3 273.377 -0.552 20 0 CBADHO C[C@@H]1CN(C(=O)CN2CCNCC2)C[C@@]1(C)C[NH3+] ZINC000638337754 357459120 /nfs/dbraw/zinc/45/91/20/357459120.db2.gz ZBKAHTLZRNVEOX-DGCLKSJQSA-N 1 3 254.378 -0.665 20 0 CBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000638430767 357475343 /nfs/dbraw/zinc/47/53/43/357475343.db2.gz AZWJUOYCOHKICQ-CQSZACIVSA-N 1 3 298.431 -0.539 20 0 CBADHO N[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[C@H]1F ZINC000638430152 357475855 /nfs/dbraw/zinc/47/58/55/357475855.db2.gz JMUXBZCVVUKTDP-CKYFFXLPSA-N 1 3 259.325 -0.360 20 0 CBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCOC3(CNC3)C2)C1 ZINC000638439248 357477699 /nfs/dbraw/zinc/47/76/99/357477699.db2.gz DGRSSXKJDLNFEV-LLVKDONJSA-N 1 3 253.346 -0.471 20 0 CBADHO C[N@H+]1CC[C@H](CC(=O)N2CCOC3(CNC3)C2)C1 ZINC000638439248 357477702 /nfs/dbraw/zinc/47/77/02/357477702.db2.gz DGRSSXKJDLNFEV-LLVKDONJSA-N 1 3 253.346 -0.471 20 0 CBADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000638492374 357484939 /nfs/dbraw/zinc/48/49/39/357484939.db2.gz OREPZTPZYNXJSM-NWDGAFQWSA-N 1 3 256.394 -0.278 20 0 CBADHO N[C@@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000638510645 357492071 /nfs/dbraw/zinc/49/20/71/357492071.db2.gz KHDDZPAOCRVSCV-NEPJUHHUSA-N 1 3 294.399 -0.273 20 0 CBADHO CCN(CC[NH3+])C(=O)c1cnn(CCN(C)C)c1 ZINC000638512705 357492115 /nfs/dbraw/zinc/49/21/15/357492115.db2.gz JLOYDGDSRUKHKK-UHFFFAOYSA-N 1 3 253.350 -0.135 20 0 CBADHO NC(C(=O)NCC1([NH3+])CCOCC1)C(F)(F)F ZINC000638540201 357493190 /nfs/dbraw/zinc/49/31/90/357493190.db2.gz JEWGSKDHWHVMEH-ZCFIWIBFSA-N 1 3 255.240 -0.500 20 0 CBADHO CC(C)(C(=O)NCC1([NH3+])CCOCC1)N1CCNCC1 ZINC000638535846 357493619 /nfs/dbraw/zinc/49/36/19/357493619.db2.gz ROPRTYGQXZYFJB-UHFFFAOYSA-N 1 3 284.404 -0.706 20 0 CBADHO [NH3+]CC1(NC(=O)[C@H]2CNCCC2(F)F)CCOCC1 ZINC000638634925 357513498 /nfs/dbraw/zinc/51/34/98/357513498.db2.gz VDUCJNHYDMGXEW-SECBINFHSA-N 1 3 277.315 -0.145 20 0 CBADHO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[NH2+]1 ZINC000638641639 357514715 /nfs/dbraw/zinc/51/47/15/357514715.db2.gz GDZCDAWONYHGNM-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CN2CCC1CC2 ZINC000638853498 357538471 /nfs/dbraw/zinc/53/84/71/357538471.db2.gz HPGCYWFKLNODHV-QWHCGFSZSA-N 1 3 294.399 -0.593 20 0 CBADHO C[NH+](C)C1CCN(CCNCc2cnc(N)nc2N)CC1 ZINC000638876275 357539804 /nfs/dbraw/zinc/53/98/04/357539804.db2.gz IOJNQMNGCMNNMZ-UHFFFAOYSA-N 1 3 293.419 -0.583 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000638926222 357544350 /nfs/dbraw/zinc/54/43/50/357544350.db2.gz WYGMTNKPXSXPKM-UPJWGTAASA-N 1 3 294.399 -0.641 20 0 CBADHO COCCOCCN(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927374 357545270 /nfs/dbraw/zinc/54/52/70/357545270.db2.gz XVEHIDUFUPXSCF-OKILXGFUSA-N 1 3 299.415 -0.066 20 0 CBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000638938031 357546138 /nfs/dbraw/zinc/54/61/38/357546138.db2.gz VYZRFGRBXLYLLC-UTUOFQBUSA-N 1 3 282.388 -0.655 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000638938026 357546199 /nfs/dbraw/zinc/54/61/99/357546199.db2.gz VYZRFGRBXLYLLC-GRYCIOLGSA-N 1 3 282.388 -0.655 20 0 CBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)CN2CCNCC2)CC1 ZINC000638949777 357547059 /nfs/dbraw/zinc/54/70/59/357547059.db2.gz DGHIVGXXEDTMSC-HAQNSBGRSA-N 1 3 254.378 -0.475 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020175 357553068 /nfs/dbraw/zinc/55/30/68/357553068.db2.gz DHPIFDLQDGNBMD-OBJOEFQTSA-N 1 3 296.415 -0.314 20 0 CBADHO O=C(CN1CCNCC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639022849 357553860 /nfs/dbraw/zinc/55/38/60/357553860.db2.gz RBUKIRYYYQEGSS-QWHCGFSZSA-N 1 3 266.389 -0.508 20 0 CBADHO COC[C@H](O)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639144411 357559397 /nfs/dbraw/zinc/55/93/97/357559397.db2.gz XNUDUCVIVRSBNJ-GFCCVEGCSA-N 1 3 260.378 -0.181 20 0 CBADHO CNS(=O)(=O)CCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755427 357594868 /nfs/dbraw/zinc/59/48/68/357594868.db2.gz KWBQBRVDJHVORQ-UHFFFAOYSA-N 1 3 275.418 -0.047 20 0 CBADHO CN(C)C(=O)CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766928 357596762 /nfs/dbraw/zinc/59/67/62/357596762.db2.gz PSVSHOJJWDGGBN-CYBMUJFWSA-N 1 3 257.378 -0.147 20 0 CBADHO C[NH+](C)C[C@@]1(O)CCCN(CC[C@@H]2CCNC2=O)C1 ZINC000639769280 357597617 /nfs/dbraw/zinc/59/76/17/357597617.db2.gz XHWBTFOHPXVOKT-JSGCOSHPSA-N 1 3 269.389 -0.099 20 0 CBADHO COCC[N@H+](C)C[C@@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222369 357681313 /nfs/dbraw/zinc/68/13/13/357681313.db2.gz KFUVACGCHXXUMO-CYBMUJFWSA-N 1 3 285.392 -0.679 20 0 CBADHO COCC[N@@H+](C)C[C@@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641222369 357681317 /nfs/dbraw/zinc/68/13/17/357681317.db2.gz KFUVACGCHXXUMO-CYBMUJFWSA-N 1 3 285.392 -0.679 20 0 CBADHO C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000641425257 357704796 /nfs/dbraw/zinc/70/47/96/357704796.db2.gz NPNVOXKRRNZFON-LBPRGKRZSA-N 1 3 297.403 -0.717 20 0 CBADHO NS(=O)(=O)CCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000641797658 357743329 /nfs/dbraw/zinc/74/33/29/357743329.db2.gz FEHKFJZKKUWZCU-LBPRGKRZSA-N 1 3 275.418 -0.014 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000642084412 357749448 /nfs/dbraw/zinc/74/94/48/357749448.db2.gz VNKJLANGNGNITQ-LLVKDONJSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642329785 357753301 /nfs/dbraw/zinc/75/33/01/357753301.db2.gz SHGGZVWCAMBYCW-SDDRHHMPSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000642329786 357753325 /nfs/dbraw/zinc/75/33/25/357753325.db2.gz SHGGZVWCAMBYCW-SRVKXCTJSA-N 1 3 284.404 -0.314 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000642439370 357754016 /nfs/dbraw/zinc/75/40/16/357754016.db2.gz CZYVPHKLXKNOGA-LBPRGKRZSA-N 1 3 296.415 -0.025 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642439383 357754080 /nfs/dbraw/zinc/75/40/80/357754080.db2.gz DJIZJGFLFCOHAK-QWHCGFSZSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000642439708 357755207 /nfs/dbraw/zinc/75/52/07/357755207.db2.gz NRZATDYCVAHVHY-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642440161 357755383 /nfs/dbraw/zinc/75/53/83/357755383.db2.gz XNZCFKMEGPPLNH-SNVBAGLBSA-N 1 3 268.361 -0.935 20 0 CBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000642440042 357755498 /nfs/dbraw/zinc/75/54/98/357755498.db2.gz WGQAIRUNCBSQAI-CHWSQXEVSA-N 1 3 296.415 -0.170 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000642439768 357755586 /nfs/dbraw/zinc/75/55/86/357755586.db2.gz OQWXXIDJQHDBEX-NEPJUHHUSA-N 1 3 284.404 -0.312 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000642809769 357763668 /nfs/dbraw/zinc/76/36/68/357763668.db2.gz OUAWDVMRZUTQAU-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905076 357766728 /nfs/dbraw/zinc/76/67/28/357766728.db2.gz FSMWEGUPZAVLRS-CYBMUJFWSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642909257 357767699 /nfs/dbraw/zinc/76/76/99/357767699.db2.gz JJNZGWQGQDQQFB-QWHCGFSZSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642909929 357768535 /nfs/dbraw/zinc/76/85/35/357768535.db2.gz XPUIQYSMCODDLE-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000642918434 357770218 /nfs/dbraw/zinc/77/02/18/357770218.db2.gz UUBFYXYHHYTARH-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919747 357770251 /nfs/dbraw/zinc/77/02/51/357770251.db2.gz FMYFWMXWVJYONF-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[NH2+]C2CC2)CCC1 ZINC000642918784 357770402 /nfs/dbraw/zinc/77/04/02/357770402.db2.gz BWMLACIXKOPNPU-UHFFFAOYSA-N 1 3 296.415 -0.203 20 0 CBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000642960478 357773508 /nfs/dbraw/zinc/77/35/08/357773508.db2.gz WTCBRJPZPKZPOS-NEPJUHHUSA-N 1 3 280.372 -0.854 20 0 CBADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CN ZINC000643593264 357791277 /nfs/dbraw/zinc/79/12/77/357791277.db2.gz UCGJJUQLAFLICS-STQMWFEESA-N 1 3 298.431 -0.018 20 0 CBADHO C[C@H]1C[C@H](CN(C)CC(=O)N2CCNCC2)CC[NH2+]1 ZINC000414651144 291121337 /nfs/dbraw/zinc/12/13/37/291121337.db2.gz FFELTSQBZFVGDT-QWHCGFSZSA-N 1 3 268.405 -0.262 20 0 CBADHO CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000070074218 283359900 /nfs/dbraw/zinc/35/99/00/283359900.db2.gz SARHKQMKJTWZIQ-NXEZZACHSA-N 1 3 256.350 -0.109 20 0 CBADHO CCC[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367994115 283887268 /nfs/dbraw/zinc/88/72/68/283887268.db2.gz PQTHXUJHJAQJCI-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC(C)(C)C[NH+](C)C ZINC000336826501 213721576 /nfs/dbraw/zinc/72/15/76/213721576.db2.gz QDBBMNKPASQKDK-GFCCVEGCSA-N 1 3 286.420 -0.210 20 0 CBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332577638 204811149 /nfs/dbraw/zinc/81/11/49/204811149.db2.gz ADLJBUVWWGIKGP-OLZOCXBDSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000344303844 217140948 /nfs/dbraw/zinc/14/09/48/217140948.db2.gz CMOZOPWLCUBHFD-HZPDHXFCSA-N 1 3 298.475 -0.084 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000020521322 372757397 /nfs/dbraw/zinc/75/73/97/372757397.db2.gz GWTOULBEDIKDCG-LBPRGKRZSA-N 1 3 254.378 -0.508 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167213575 372826093 /nfs/dbraw/zinc/82/60/93/372826093.db2.gz FPJYWWGGMQLOMN-STQMWFEESA-N 1 3 296.415 -0.203 20 0 CBADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000333565175 373011419 /nfs/dbraw/zinc/01/14/19/373011419.db2.gz LVSUFIOFHQXKPW-QWRGUYRKSA-N 1 3 255.362 -0.131 20 0 CBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332578857 373005567 /nfs/dbraw/zinc/00/55/67/373005567.db2.gz AMSGJANYSAUXOS-XQQFMLRXSA-N 1 3 294.399 -0.369 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333424640 373009610 /nfs/dbraw/zinc/00/96/10/373009610.db2.gz SZVDJJCYLWXILA-RAIGVLPGSA-N 1 3 282.388 -0.162 20 0 CBADHO CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000333508491 205387996 /nfs/dbraw/zinc/38/79/96/205387996.db2.gz XFQQLTOJLXGDLE-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000333508491 205387998 /nfs/dbraw/zinc/38/79/98/205387998.db2.gz XFQQLTOJLXGDLE-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342374998 373045886 /nfs/dbraw/zinc/04/58/86/373045886.db2.gz OFICRJFOHLLHPJ-NEPJUHHUSA-N 1 3 257.378 -0.122 20 0 CBADHO COCCN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342374998 373045895 /nfs/dbraw/zinc/04/58/95/373045895.db2.gz OFICRJFOHLLHPJ-NEPJUHHUSA-N 1 3 257.378 -0.122 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000357249349 373168184 /nfs/dbraw/zinc/16/81/84/373168184.db2.gz SEIMIBBCWPACAT-UONOGXRCSA-N 1 3 298.431 -0.635 20 0 CBADHO CC[NH+]1CCN(CCNC(=O)c2ccnc(CN)c2)CC1 ZINC000361624692 373318425 /nfs/dbraw/zinc/31/84/25/373318425.db2.gz ANHRAJJBTZQPLH-UHFFFAOYSA-N 1 3 291.399 -0.092 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000362836520 373452917 /nfs/dbraw/zinc/45/29/17/373452917.db2.gz HKXXRPKAMMPEOS-AGIUHOORSA-N 1 3 269.389 -0.027 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000362836520 373452923 /nfs/dbraw/zinc/45/29/23/373452923.db2.gz HKXXRPKAMMPEOS-AGIUHOORSA-N 1 3 269.389 -0.027 20 0 CBADHO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365851626 373526341 /nfs/dbraw/zinc/52/63/41/373526341.db2.gz WMOBSHHAMHQTCS-NTZNESFSSA-N 1 3 256.346 -0.206 20 0 CBADHO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365851626 373526344 /nfs/dbraw/zinc/52/63/44/373526344.db2.gz WMOBSHHAMHQTCS-NTZNESFSSA-N 1 3 256.346 -0.206 20 0 CBADHO CN1CCN(CCCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000398997227 373583823 /nfs/dbraw/zinc/58/38/23/373583823.db2.gz QBJTUDSRQQTMLV-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO COCCN(C)CCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417098259 373629511 /nfs/dbraw/zinc/62/95/11/373629511.db2.gz YAPZNUKUTRANID-NSHDSACASA-N 1 3 260.382 -0.151 20 0 CBADHO COCCN(C)CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417437002 373629830 /nfs/dbraw/zinc/62/98/30/373629830.db2.gz GAUYMIZFVYIXDL-STQMWFEESA-N 1 3 284.404 -0.185 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418549442 373633602 /nfs/dbraw/zinc/63/36/02/373633602.db2.gz KSNKRIMIRMTVNB-NWDGAFQWSA-N 1 3 272.393 -0.402 20 0 CBADHO C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C[C@@H]1C[NH3+] ZINC000419111744 373635980 /nfs/dbraw/zinc/63/59/80/373635980.db2.gz UNLUOZBAQYQGPN-RYUDHWBXSA-N 1 3 296.415 -0.360 20 0 CBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419111651 373636165 /nfs/dbraw/zinc/63/61/65/373636165.db2.gz UGYDVRXLCSHCMT-DGCLKSJQSA-N 1 3 296.415 -0.075 20 0 CBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419403014 373639080 /nfs/dbraw/zinc/63/90/80/373639080.db2.gz CZCLNDPKKYNWTD-DGCLKSJQSA-N 1 3 296.415 -0.312 20 0 CBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419957446 373643816 /nfs/dbraw/zinc/64/38/16/373643816.db2.gz PJQCDAQRLCUCQO-XQQFMLRXSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N(C)C ZINC000424157187 373666200 /nfs/dbraw/zinc/66/62/00/373666200.db2.gz PNNWGKYQZVBTMG-QWRGUYRKSA-N 1 3 280.376 -0.118 20 0 CBADHO C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+](C)C ZINC000459035162 373694963 /nfs/dbraw/zinc/69/49/63/373694963.db2.gz DKQJWWORMRVHOG-RYUDHWBXSA-N 1 3 272.393 -0.092 20 0 CBADHO CN(C)C/C=C\C(=O)N(C)CCNC(=O)/C=C\C[NH+](C)C ZINC000493781345 373729405 /nfs/dbraw/zinc/72/94/05/373729405.db2.gz FGYMPHDIMQWMPU-VRHVFUOLSA-N 1 3 296.415 -0.203 20 0 CBADHO CN(C)C/C=C\C(=O)NCCN(C)C(=O)/C=C\C[NH+](C)C ZINC000493781345 373729416 /nfs/dbraw/zinc/72/94/16/373729416.db2.gz FGYMPHDIMQWMPU-VRHVFUOLSA-N 1 3 296.415 -0.203 20 0 CBADHO CN1CCC(C[NH2+]CCC(N)=O)(N2CCOCC2)CC1 ZINC000514669161 373759042 /nfs/dbraw/zinc/75/90/42/373759042.db2.gz VFVAUXZZTIQORV-UHFFFAOYSA-N 1 3 284.404 -0.752 20 0 CBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000518753892 373821231 /nfs/dbraw/zinc/82/12/31/373821231.db2.gz UAUPDAUCLBJVSG-CHWSQXEVSA-N 1 3 294.399 -0.367 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000520226252 373829707 /nfs/dbraw/zinc/82/97/07/373829707.db2.gz FGMPSEUVZQOQEX-MNOVXSKESA-N 1 3 272.393 -0.132 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000520810287 373834047 /nfs/dbraw/zinc/83/40/47/373834047.db2.gz LKRGLEFMAAWFAO-GUBZILKMSA-N 1 3 257.334 -0.619 20 0 CBADHO COCCN(C)CCNC(=O)NCC1CC[NH2+]CC1 ZINC000515221322 373778968 /nfs/dbraw/zinc/77/89/68/373778968.db2.gz GTYOSYZLQRFORU-UHFFFAOYSA-N 1 3 272.393 -0.137 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000515380724 373787158 /nfs/dbraw/zinc/78/71/58/373787158.db2.gz FOHUDEQIDIRALM-ZYHUDNBSSA-N 1 3 292.387 -0.161 20 0 CBADHO CC[C@@H]1CN(C)CCN1C[C@H](O)C[N@H+](C)CCOC ZINC000521642450 373848938 /nfs/dbraw/zinc/84/89/38/373848938.db2.gz ZIDUCFAZMMSIBL-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CC[C@@H]1CN(C)CCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000521642450 373848946 /nfs/dbraw/zinc/84/89/46/373848946.db2.gz ZIDUCFAZMMSIBL-ZIAGYGMSSA-N 1 3 273.421 -0.049 20 0 CBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000574451847 335020707 /nfs/dbraw/zinc/02/07/07/335020707.db2.gz QDJLAQRQWTWSOG-UKRRQHHQSA-N 1 3 288.395 -0.107 20 0 CBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000549992566 374230760 /nfs/dbraw/zinc/23/07/60/374230760.db2.gz DWSDTQJNRHEMKF-UHFFFAOYSA-N 1 3 284.404 -0.393 20 0 CBADHO COC[C@]1(C(=O)N[C@@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000583262911 374357377 /nfs/dbraw/zinc/35/73/77/374357377.db2.gz UYEHQAIWQYDPMA-KOLCDFICSA-N 1 3 277.315 -0.274 20 0 CBADHO CN1CC[C@H]2CCN(C(=O)CCOC3C[NH2+]C3)[C@@H]2C1 ZINC000583320412 374361837 /nfs/dbraw/zinc/36/18/37/374361837.db2.gz SJDHNZUCBGZMQR-WCQYABFASA-N 1 3 267.373 -0.083 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000577955504 374345922 /nfs/dbraw/zinc/34/59/22/374345922.db2.gz WATSDRFDFQQDKK-GHMZBOCLSA-N 1 3 271.361 -0.275 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000577955504 374345927 /nfs/dbraw/zinc/34/59/27/374345927.db2.gz WATSDRFDFQQDKK-GHMZBOCLSA-N 1 3 271.361 -0.275 20 0 CBADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000578069536 374350609 /nfs/dbraw/zinc/35/06/09/374350609.db2.gz IBUXUORHQWSAST-IJLUTSLNSA-N 1 3 255.362 -0.001 20 0 CBADHO CO[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000644106039 374488740 /nfs/dbraw/zinc/48/87/40/374488740.db2.gz JXHHYINJMDBTRQ-YNEHKIRRSA-N 1 3 285.388 -0.280 20 0 CBADHO COC[C@@]1(CNC(=O)[C@H]2NCC2(C)C)CCC[NH2+]1 ZINC000644125919 374490306 /nfs/dbraw/zinc/49/03/06/374490306.db2.gz BHGUOCYNVZLBRE-MFKMUULPSA-N 1 3 255.362 -0.131 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000574513599 335025058 /nfs/dbraw/zinc/02/50/58/335025058.db2.gz YKSZYNAJWKVIEP-LSDHHAIUSA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)[N@H+](C)C[C@H](C)NC[C@@H](O)CN1CCN(C)CC1 ZINC000574513599 335025059 /nfs/dbraw/zinc/02/50/59/335025059.db2.gz YKSZYNAJWKVIEP-LSDHHAIUSA-N 1 3 286.464 -0.087 20 0 CBADHO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000574513599 335025060 /nfs/dbraw/zinc/02/50/60/335025060.db2.gz YKSZYNAJWKVIEP-LSDHHAIUSA-N 1 3 286.464 -0.087 20 0 CBADHO CN(CC[NH3+])C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000574518262 335025907 /nfs/dbraw/zinc/02/59/07/335025907.db2.gz ZDERBBLSHAVQPC-GIPNMCIBSA-N 1 3 255.362 -0.064 20 0 CBADHO CN(CC[NH2+]C[C@H](O)CN1CCN(C)CC1)C1CC1 ZINC000644527967 374590400 /nfs/dbraw/zinc/59/04/00/374590400.db2.gz HSRDGOLTWMYQGC-AWEZNQCLSA-N 1 3 270.421 -0.722 20 0 CBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561571 374594363 /nfs/dbraw/zinc/59/43/63/374594363.db2.gz AZIXHHITTYGRTH-GXTWGEPZSA-N 1 3 271.405 -0.248 20 0 CBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561573 374594484 /nfs/dbraw/zinc/59/44/84/374594484.db2.gz AZIXHHITTYGRTH-JSGCOSHPSA-N 1 3 271.405 -0.248 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000644556621 374594540 /nfs/dbraw/zinc/59/45/40/374594540.db2.gz HQDWBSKLKPKULI-HZPDHXFCSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000644556621 374594547 /nfs/dbraw/zinc/59/45/47/374594547.db2.gz HQDWBSKLKPKULI-HZPDHXFCSA-N 1 3 296.459 -0.331 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000644556621 374594560 /nfs/dbraw/zinc/59/45/60/374594560.db2.gz HQDWBSKLKPKULI-HZPDHXFCSA-N 1 3 296.459 -0.331 20 0 CBADHO C[C@@H](CCN(C)C)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000644562830 374595228 /nfs/dbraw/zinc/59/52/28/374595228.db2.gz BOGFFKRTFVLIAN-KBPBESRZSA-N 1 3 272.437 -0.476 20 0 CBADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)CN1CCN(C)CC1 ZINC000644562830 374595233 /nfs/dbraw/zinc/59/52/33/374595233.db2.gz BOGFFKRTFVLIAN-KBPBESRZSA-N 1 3 272.437 -0.476 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1 ZINC000645042841 374642287 /nfs/dbraw/zinc/64/22/87/374642287.db2.gz RTGYOZHUCIAKMY-GFCCVEGCSA-N 1 3 272.393 -0.090 20 0 CBADHO CN1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645685045 374692053 /nfs/dbraw/zinc/69/20/53/374692053.db2.gz RJOPFPOOMSQYQN-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO COC1CCN(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000646181139 374751427 /nfs/dbraw/zinc/75/14/27/374751427.db2.gz YPRDIHAHNFNCOZ-UHFFFAOYSA-N 1 3 255.362 -0.177 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000646216645 374759711 /nfs/dbraw/zinc/75/97/11/374759711.db2.gz LDCLIPSRZMRPAJ-ZJUUUORDSA-N 1 3 256.350 -0.504 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000645905742 374713505 /nfs/dbraw/zinc/71/35/05/374713505.db2.gz ZUSOPGXNDZPBEJ-NSHDSACASA-N 1 3 259.350 -0.811 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953154 374717526 /nfs/dbraw/zinc/71/75/26/374717526.db2.gz FLMKBXLPNXJMSQ-CHWSQXEVSA-N 1 3 294.399 -0.545 20 0 CBADHO O=C(CCOC1CNC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953211 374717869 /nfs/dbraw/zinc/71/78/69/374717869.db2.gz IUOQINKEZPRLGR-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(CCOC1CNC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953211 374717874 /nfs/dbraw/zinc/71/78/74/374717874.db2.gz IUOQINKEZPRLGR-GFCCVEGCSA-N 1 3 267.373 -0.035 20 0 CBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CNCCO3)C2)CC1 ZINC000645978191 374723253 /nfs/dbraw/zinc/72/32/53/374723253.db2.gz WPNSKPBMYLMKKS-JSGCOSHPSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CNCCO3)C2)CC1 ZINC000645978191 374723257 /nfs/dbraw/zinc/72/32/57/374723257.db2.gz WPNSKPBMYLMKKS-JSGCOSHPSA-N 1 3 296.415 -0.741 20 0 CBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CNCCO3)C2)CC1 ZINC000645978191 374723267 /nfs/dbraw/zinc/72/32/67/374723267.db2.gz WPNSKPBMYLMKKS-JSGCOSHPSA-N 1 3 296.415 -0.741 20 0 CBADHO C[C@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646003033 374725544 /nfs/dbraw/zinc/72/55/44/374725544.db2.gz OGFIVRHDPYCLJQ-RYUDHWBXSA-N 1 3 254.378 -0.428 20 0 CBADHO C[C@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646003033 374725550 /nfs/dbraw/zinc/72/55/50/374725550.db2.gz OGFIVRHDPYCLJQ-RYUDHWBXSA-N 1 3 254.378 -0.428 20 0 CBADHO CNC(=O)CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104062 374740741 /nfs/dbraw/zinc/74/07/41/374740741.db2.gz YVOTWYCOESBGIB-UHFFFAOYSA-N 1 3 255.362 -0.081 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336390 374770684 /nfs/dbraw/zinc/77/06/84/374770684.db2.gz QTMWYAPVIQIYGP-QJPTWQEYSA-N 1 3 253.346 -0.425 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336391 374770880 /nfs/dbraw/zinc/77/08/80/374770880.db2.gz QTMWYAPVIQIYGP-TUAOUCFPSA-N 1 3 253.346 -0.425 20 0 CBADHO N[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCOCC1 ZINC000646336594 374771112 /nfs/dbraw/zinc/77/11/12/374771112.db2.gz YUIYPCORONRVJC-DRZSPHRISA-N 1 3 267.373 -0.049 20 0 CBADHO N[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CCOCC1 ZINC000646336597 374771146 /nfs/dbraw/zinc/77/11/46/374771146.db2.gz YUIYPCORONRVJC-WXHSDQCUSA-N 1 3 267.373 -0.049 20 0 CBADHO CC(C)(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCNCC1 ZINC000646335999 374771187 /nfs/dbraw/zinc/77/11/87/374771187.db2.gz FLTDEBXLWRVIIF-CHWSQXEVSA-N 1 3 280.416 -0.119 20 0 CBADHO CC(C)(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCNCC1 ZINC000646336000 374771231 /nfs/dbraw/zinc/77/12/31/374771231.db2.gz FLTDEBXLWRVIIF-OLZOCXBDSA-N 1 3 280.416 -0.119 20 0 CBADHO CC(C)[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CCN1 ZINC000646327727 374771321 /nfs/dbraw/zinc/77/13/21/374771321.db2.gz QWTFQECLNPFUPX-GFCCVEGCSA-N 1 3 255.362 -0.179 20 0 CBADHO CCN1CCN(CCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646411127 374777482 /nfs/dbraw/zinc/77/74/82/374777482.db2.gz GRRGXWUEGKVBPU-GFCCVEGCSA-N 1 3 268.405 -0.262 20 0 CBADHO CCN1CCN(CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000646412030 374777741 /nfs/dbraw/zinc/77/77/41/374777741.db2.gz XDHAGHITAVKPIG-UHFFFAOYSA-N 1 3 256.394 -0.133 20 0 CBADHO COc1ccccc1[C@H](N)CNC(=O)COCC[NH3+] ZINC000646600996 374793924 /nfs/dbraw/zinc/79/39/24/374793924.db2.gz RLBHJYLIBADVFG-LLVKDONJSA-N 1 3 267.329 -0.214 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(C)S(C)(=O)=O ZINC000647034298 374866210 /nfs/dbraw/zinc/86/62/10/374866210.db2.gz GWYSOWCPZQSZKF-VGMNWLOBSA-N 1 3 266.338 -0.422 20 0 CBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647083814 374882895 /nfs/dbraw/zinc/88/28/95/374882895.db2.gz SBICTJSFGFCUGX-UTUOFQBUSA-N 1 3 253.346 -0.425 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000646972134 374853851 /nfs/dbraw/zinc/85/38/51/374853851.db2.gz LZNACGSZBZJIBY-VHSXEESVSA-N 1 3 259.375 -0.732 20 0 CBADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCO[C@H](C[NH3+])C2)C1(C)C ZINC000646972395 374854037 /nfs/dbraw/zinc/85/40/37/374854037.db2.gz VLJYLAMVHSWOKO-JTNHKYCSSA-N 1 3 285.388 -0.295 20 0 CBADHO C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000574569215 335030008 /nfs/dbraw/zinc/03/00/08/335030008.db2.gz LFEMCNSJFHCQMS-OUAUKWLOSA-N 1 3 268.361 -0.937 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000574569740 335030204 /nfs/dbraw/zinc/03/02/04/335030204.db2.gz ZVNIFKQMBDFPKH-UMNHJUIQSA-N 1 3 258.366 -0.522 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000574569737 335030339 /nfs/dbraw/zinc/03/03/39/335030339.db2.gz ZVNIFKQMBDFPKH-NHCYSSNCSA-N 1 3 258.366 -0.522 20 0 CBADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C1CC1 ZINC000574632490 335035293 /nfs/dbraw/zinc/03/52/93/335035293.db2.gz XGYWUQXQSVTTRT-DZGCQCFKSA-N 1 3 284.448 -0.333 20 0 CBADHO C[C@H](CNC(=O)[C@@H](C)C[NH3+])CN1CCN(C)CC1 ZINC000357240092 248337866 /nfs/dbraw/zinc/33/78/66/248337866.db2.gz JEWBFGBOFLASHH-NEPJUHHUSA-N 1 3 256.394 -0.419 20 0 CBADHO C[C@@H](C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000357249352 248339489 /nfs/dbraw/zinc/33/94/89/248339489.db2.gz SEMRDJANRNHQFP-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH2+]CCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000357249328 248339507 /nfs/dbraw/zinc/33/95/07/248339507.db2.gz RZZFWWFNBDTTTH-GFCCVEGCSA-N 1 3 284.404 -0.345 20 0 CBADHO CN1CC[C@](O)(CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000357723722 248399018 /nfs/dbraw/zinc/39/90/18/248399018.db2.gz ATOUYMSWVYODGG-AWEZNQCLSA-N 1 3 284.404 -0.162 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419732363 284625731 /nfs/dbraw/zinc/62/57/31/284625731.db2.gz MIWCYTKEZZWJJW-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419736160 284627648 /nfs/dbraw/zinc/62/76/48/284627648.db2.gz RLXDXWJTKHKAEZ-JTQLQIEISA-N 1 3 258.366 -0.702 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418954726 284659860 /nfs/dbraw/zinc/65/98/60/284659860.db2.gz XMUKQJXRXVZFTR-NWDGAFQWSA-N 1 3 286.420 -0.195 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CCN(C)CC1 ZINC000653130421 412885010 /nfs/dbraw/zinc/88/50/10/412885010.db2.gz JSZOKNQUFMLZGH-FZMZJTMJSA-N 1 3 267.373 -0.225 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000347187533 218150084 /nfs/dbraw/zinc/15/00/84/218150084.db2.gz CDXJGFKPWGCDRM-WDEREUQCSA-N 1 3 280.372 -0.357 20 0 CBADHO CN1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000347643199 218303543 /nfs/dbraw/zinc/30/35/43/218303543.db2.gz CGPMCEPSLCNVGE-GFCCVEGCSA-N 1 3 282.388 -0.591 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000419242830 207668065 /nfs/dbraw/zinc/66/80/65/207668065.db2.gz RQXBNLBUNASTJD-RYUDHWBXSA-N 1 3 296.415 -0.027 20 0 CBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342719935 532983360 /nfs/dbraw/zinc/98/33/60/532983360.db2.gz YHPJWPHQBMHZJX-NEPJUHHUSA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423386839 285031885 /nfs/dbraw/zinc/03/18/85/285031885.db2.gz RSXLGWQCORUOOJ-NSHDSACASA-N 1 3 255.362 -0.177 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376719512 285035878 /nfs/dbraw/zinc/03/58/78/285035878.db2.gz DFLISQZFGPZJDP-WCQYABFASA-N 1 3 273.352 -0.085 20 0 CBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000423064123 207872300 /nfs/dbraw/zinc/87/23/00/207872300.db2.gz QMTRIPAAKJXLKE-UHFFFAOYSA-N 1 3 272.393 -0.550 20 0 CBADHO O=C1NC(=O)[C@@]2(CCCN(CC3CC[NH2+]CC3)C2)N1 ZINC000261935947 296357998 /nfs/dbraw/zinc/35/79/98/296357998.db2.gz MBWGSJZHXKUGDN-ZDUSSCGKSA-N 1 3 266.345 -0.340 20 0 CBADHO CC[NH+]1CCC(NC(=O)CCOC2CNC2)CC1 ZINC000348992484 218787901 /nfs/dbraw/zinc/78/79/01/218787901.db2.gz IHMQXYZJRVKDJR-UHFFFAOYSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N2CCOCC2)C1 ZINC000430624727 208169760 /nfs/dbraw/zinc/16/97/60/208169760.db2.gz PEANERSUOIUKPM-LBPRGKRZSA-N 1 3 255.362 -0.094 20 0 CBADHO C[NH+](C)[C@H](CNC(=O)CCOC1CNC1)C1CC1 ZINC000349059808 218802248 /nfs/dbraw/zinc/80/22/48/218802248.db2.gz UTVDNQHDFUVQAO-GFCCVEGCSA-N 1 3 255.362 -0.179 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250180544 285076534 /nfs/dbraw/zinc/07/65/34/285076534.db2.gz VBKNHXZWDMCLJG-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO COCCNCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250180544 285076535 /nfs/dbraw/zinc/07/65/35/285076535.db2.gz VBKNHXZWDMCLJG-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CC[NH+]1CCC(N(C)C(=O)COC2CNC2)CC1 ZINC000430754891 208178408 /nfs/dbraw/zinc/17/84/08/208178408.db2.gz OQCHSCINFPWYAR-UHFFFAOYSA-N 1 3 255.362 -0.083 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCCC[NH+]1CCC(O)CC1 ZINC000430749879 208179057 /nfs/dbraw/zinc/17/90/57/208179057.db2.gz LTKHEIDDEPAGOC-CQSZACIVSA-N 1 3 299.415 -0.282 20 0 CBADHO COCC[NH2+]CCNC(=O)N(C)C[C@H]1CCCN1C ZINC000422604482 285077970 /nfs/dbraw/zinc/07/79/70/285077970.db2.gz BYNDERDGYONTQE-GFCCVEGCSA-N 1 3 272.393 -0.042 20 0 CBADHO O=C(CNC[C@H]1CCCO1)NCC[NH+]1CCCC1 ZINC000430823613 208184322 /nfs/dbraw/zinc/18/43/22/208184322.db2.gz UBYSJCBXAZTMLM-GFCCVEGCSA-N 1 3 255.362 -0.033 20 0 CBADHO COCCC[NH+]1CCC(NC(=O)C[C@@H]2CNCCO2)CC1 ZINC000430907549 208190648 /nfs/dbraw/zinc/19/06/48/208190648.db2.gz DZTZAVDGZAJKPY-CQSZACIVSA-N 1 3 299.415 -0.018 20 0 CBADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000430920822 208191468 /nfs/dbraw/zinc/19/14/68/208191468.db2.gz QGWFEUAXUHVMNZ-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO COCC[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418507587 285079160 /nfs/dbraw/zinc/07/91/60/285079160.db2.gz LCHKAVLAHWADBE-WDEREUQCSA-N 1 3 258.366 -0.386 20 0 CBADHO CCN1CCN([C@H](C)CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431020835 208199332 /nfs/dbraw/zinc/19/93/32/208199332.db2.gz FEHYWOCBCUCOFA-GFCCVEGCSA-N 1 3 284.404 -0.883 20 0 CBADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCOCC1 ZINC000431018168 208199933 /nfs/dbraw/zinc/19/99/33/208199933.db2.gz UYTPQPOCBLQAPL-UHFFFAOYSA-N 1 3 267.373 -0.079 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000431010809 208200252 /nfs/dbraw/zinc/20/02/52/208200252.db2.gz RQNQCNZLUVIDOU-ZDUSSCGKSA-N 1 3 284.404 -0.881 20 0 CBADHO C[C@H]([NH3+])CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000442657264 208357898 /nfs/dbraw/zinc/35/78/98/208357898.db2.gz HHBUVNMJTGIEGL-LBPRGKRZSA-N 1 3 254.378 -0.426 20 0 CBADHO CCN(CC)CC(=O)N1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442643768 208358419 /nfs/dbraw/zinc/35/84/19/208358419.db2.gz ATYMFGDFEPEXBS-GFCCVEGCSA-N 1 3 256.394 -0.180 20 0 CBADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCOCC1 ZINC000442765395 208364684 /nfs/dbraw/zinc/36/46/84/208364684.db2.gz JLPXHNKAQGRYDQ-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000442765395 208364687 /nfs/dbraw/zinc/36/46/87/208364687.db2.gz JLPXHNKAQGRYDQ-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCOCC1 ZINC000442765395 208364694 /nfs/dbraw/zinc/36/46/94/208364694.db2.gz JLPXHNKAQGRYDQ-NWDGAFQWSA-N 1 3 255.362 -0.096 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449745576 208502456 /nfs/dbraw/zinc/50/24/56/208502456.db2.gz CDYFRVAUVGSVQZ-UPJWGTAASA-N 1 3 294.399 -0.783 20 0 CBADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[C@H](F)CN1 ZINC000575044971 335058398 /nfs/dbraw/zinc/05/83/98/335058398.db2.gz HGALAXYPAQJJHN-RNJXMRFFSA-N 1 3 251.252 -0.200 20 0 CBADHO C[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575044787 335058509 /nfs/dbraw/zinc/05/85/09/335058509.db2.gz YOBUOYUAIKPGFQ-JGVFFNPUSA-N 1 3 268.283 -0.714 20 0 CBADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[C@H](F)CN1 ZINC000575044972 335058527 /nfs/dbraw/zinc/05/85/27/335058527.db2.gz HGALAXYPAQJJHN-XLPZGREQSA-N 1 3 251.252 -0.200 20 0 CBADHO COC[C@]1(CNC(=O)[C@@H](N)CC(F)F)CCC[NH2+]1 ZINC000521041589 260031756 /nfs/dbraw/zinc/03/17/56/260031756.db2.gz RNSMCRGXILAWBS-GZMMTYOYSA-N 1 3 265.304 -0.146 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419890400 285588093 /nfs/dbraw/zinc/58/80/93/285588093.db2.gz MIROXHXRSKWXTN-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000420107317 296577333 /nfs/dbraw/zinc/57/73/33/296577333.db2.gz ATWBCHGWDMYOHM-UPJWGTAASA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CCN[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417851651 296585318 /nfs/dbraw/zinc/58/53/18/296585318.db2.gz NIHITJACCBVEHJ-HZSPNIEDSA-N 1 3 280.416 -0.119 20 0 CBADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417776240 296586856 /nfs/dbraw/zinc/58/68/56/296586856.db2.gz AHDZHAHBWVFIRS-UPJWGTAASA-N 1 3 296.415 -0.312 20 0 CBADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417760367 292337222 /nfs/dbraw/zinc/33/72/22/292337222.db2.gz XRTAVWSYESWWCH-LLVKDONJSA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)NCCNc1ccncc1 ZINC000418490099 286823975 /nfs/dbraw/zinc/82/39/75/286823975.db2.gz MTBMBNDYGRREJX-JTQLQIEISA-N 1 3 251.334 -0.191 20 0 CBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419119344 298578825 /nfs/dbraw/zinc/57/88/25/298578825.db2.gz JNLKHNIMWSVTIA-GFCCVEGCSA-N 1 3 284.404 -0.216 20 0 CBADHO COCCN1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000165854600 292523607 /nfs/dbraw/zinc/52/36/07/292523607.db2.gz ZTPDIJODCCPRIH-GFCCVEGCSA-N 1 3 255.362 -0.035 20 0 CBADHO O=C(CN1CCNCC1)NCCC[NH+]1CCCC1 ZINC000037631202 411625134 /nfs/dbraw/zinc/62/51/34/411625134.db2.gz SRGJSCSBVAFARE-UHFFFAOYSA-N 1 3 254.378 -0.506 20 0 CBADHO N[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662750626 413993123 /nfs/dbraw/zinc/99/31/23/413993123.db2.gz VJFJNZXNUWSULR-FBIMIBRVSA-N 1 3 281.335 -0.002 20 0 CBADHO Cn1c(CN2CCC(C[NH3+])CC2)cc(=O)n(C)c1=O ZINC000044514498 175189187 /nfs/dbraw/zinc/18/91/87/175189187.db2.gz YDKKOXHTZVTDHU-UHFFFAOYSA-N 1 3 266.345 -0.745 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367159390 228150811 /nfs/dbraw/zinc/15/08/11/228150811.db2.gz NMSUFAOIPLWJSW-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367159390 228150812 /nfs/dbraw/zinc/15/08/12/228150812.db2.gz NMSUFAOIPLWJSW-AWEZNQCLSA-N 1 3 298.431 -0.539 20 0 CBADHO [NH3+]CCn1cc(C(=O)NCCN2CCCCCC2)nn1 ZINC000089700171 544436713 /nfs/dbraw/zinc/43/67/13/544436713.db2.gz NNVYZACFNKRKNU-UHFFFAOYSA-N 1 3 280.376 -0.157 20 0 CBADHO CN1CCN(CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061783 544447316 /nfs/dbraw/zinc/44/73/16/544447316.db2.gz ACYHUYKZZGXQQE-UHFFFAOYSA-N 1 3 284.404 -0.881 20 0 CBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000227333988 544493876 /nfs/dbraw/zinc/49/38/76/544493876.db2.gz DTYIEBBCLNODOJ-ZIAGYGMSSA-N 1 3 280.416 -0.166 20 0 CBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000227333988 544493878 /nfs/dbraw/zinc/49/38/78/544493878.db2.gz DTYIEBBCLNODOJ-ZIAGYGMSSA-N 1 3 280.416 -0.166 20 0 CBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)CCN1C ZINC000156146728 544471193 /nfs/dbraw/zinc/47/11/93/544471193.db2.gz LOHCEORHQOZSRB-STQMWFEESA-N 1 3 268.405 -0.167 20 0 CBADHO C[NH+](C)C[C@@H]1CCCN1C(=O)COC1(C)CNC1 ZINC000161166929 544476409 /nfs/dbraw/zinc/47/64/09/544476409.db2.gz NVDYAEBOTOYRJC-NSHDSACASA-N 1 3 255.362 -0.083 20 0 CBADHO CC(C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000261545129 544516433 /nfs/dbraw/zinc/51/64/33/544516433.db2.gz FPNOOVXAYDBWEX-KYXWUPHJSA-N 1 3 262.375 -0.078 20 0 CBADHO CC[NH+](CC)C[C@H](C)NC(=O)CN1CCNCC1 ZINC000041680122 419417967 /nfs/dbraw/zinc/41/79/67/419417967.db2.gz JWPROKJJLKWLGA-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)N1CCOCC1 ZINC000124065632 419491694 /nfs/dbraw/zinc/49/16/94/419491694.db2.gz JKOIOXFCQYTGNU-ZDUSSCGKSA-N 1 3 285.388 -0.718 20 0 CBADHO CC[NH+]1CCC(CNC(=O)CN2CCNCC2)CC1 ZINC000044526743 419429010 /nfs/dbraw/zinc/42/90/10/419429010.db2.gz RMPZXTGXYFOKOG-UHFFFAOYSA-N 1 3 268.405 -0.260 20 0 CBADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000044680851 419430055 /nfs/dbraw/zinc/43/00/55/419430055.db2.gz HWYSCADKTJFKAG-LLVKDONJSA-N 1 3 252.362 -0.756 20 0 CBADHO CN(C)CCn1ccc(NC(=O)NCCOCCC[NH3+])n1 ZINC000625864202 419431195 /nfs/dbraw/zinc/43/11/95/419431195.db2.gz UBWIZBZDYVBHNC-UHFFFAOYSA-N 1 3 298.391 -0.068 20 0 CBADHO CN(C[C@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150679 419551033 /nfs/dbraw/zinc/55/10/33/419551033.db2.gz ACHBBNZUTMXBBI-HOTGVXAUSA-N 1 3 297.443 -0.028 20 0 CBADHO CN(C[C@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000662150679 419551037 /nfs/dbraw/zinc/55/10/37/419551037.db2.gz ACHBBNZUTMXBBI-HOTGVXAUSA-N 1 3 297.443 -0.028 20 0 CBADHO CCN(CCNC(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000219910510 419564790 /nfs/dbraw/zinc/56/47/90/419564790.db2.gz UAKOVGMBLFYOEG-UHFFFAOYSA-N 1 3 266.349 -0.549 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647705049 419633049 /nfs/dbraw/zinc/63/30/49/419633049.db2.gz VHVANMBRJPZSSM-JQWIXIFHSA-N 1 3 270.377 -0.656 20 0 CBADHO CCCC[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236793714 419572993 /nfs/dbraw/zinc/57/29/93/419572993.db2.gz HFQRWGIXUOPLTQ-LBPRGKRZSA-N 1 3 256.394 -0.085 20 0 CBADHO OCC1([NH2+]CCOC[C@@H]2CCCO2)CCNCC1 ZINC000662285929 419572936 /nfs/dbraw/zinc/57/29/36/419572936.db2.gz ANVITGUPJFUPOF-LBPRGKRZSA-N 1 3 258.362 -0.114 20 0 CBADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCCO1 ZINC000662283029 419573368 /nfs/dbraw/zinc/57/33/68/419573368.db2.gz ZQCINTITQDDMLL-NWDGAFQWSA-N 1 3 255.362 -0.443 20 0 CBADHO CNC(=O)CCC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662278934 419573655 /nfs/dbraw/zinc/57/36/55/419573655.db2.gz OAIVQVOOVAQJCD-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO CNC(=O)CCC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662278934 419573659 /nfs/dbraw/zinc/57/36/59/419573659.db2.gz OAIVQVOOVAQJCD-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO COCCN(C)CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237256687 419578209 /nfs/dbraw/zinc/57/82/09/419578209.db2.gz KJKKLPLXARECAO-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000237609574 419584081 /nfs/dbraw/zinc/58/40/81/419584081.db2.gz ZPEWPAXGGYTTJB-DZGCQCFKSA-N 1 3 282.432 -0.014 20 0 CBADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000662315654 419584777 /nfs/dbraw/zinc/58/47/77/419584777.db2.gz ROHYTFZNPGOXLJ-XQHKEYJVSA-N 1 3 288.413 -0.270 20 0 CBADHO [NH3+]CCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338950 419588535 /nfs/dbraw/zinc/58/85/35/419588535.db2.gz XOBFITXDKTWFBS-LBPRGKRZSA-N 1 3 278.404 -0.043 20 0 CBADHO CC1(C)C[NH2+]CCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000647500447 419594046 /nfs/dbraw/zinc/59/40/46/419594046.db2.gz PKMLKYAJOSESKU-GFCCVEGCSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]C[C@@H](O)CNC[C@H](O)CN(C)Cc1ccccc1 ZINC000647526524 419604214 /nfs/dbraw/zinc/60/42/14/419604214.db2.gz APXABEDMIXEIAE-CABCVRRESA-N 1 3 281.400 -0.351 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000647549747 419607801 /nfs/dbraw/zinc/60/78/01/419607801.db2.gz PAIPNDCJTDOUQN-SDDRHHMPSA-N 1 3 275.418 -0.145 20 0 CBADHO CN(C)[C@@]1(CNC(=O)c2cn(CC[NH3+])nn2)CCSC1 ZINC000662488936 419622106 /nfs/dbraw/zinc/62/21/06/419622106.db2.gz BCEKGOVXYZCEQZ-GFCCVEGCSA-N 1 3 298.416 -0.596 20 0 CBADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647735493 419640758 /nfs/dbraw/zinc/64/07/58/419640758.db2.gz KTABZNCLXZKUBG-IMRBUKKESA-N 1 3 287.367 -0.105 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H](N)CC(F)F ZINC000662632858 419661060 /nfs/dbraw/zinc/66/10/60/419661060.db2.gz VAXSQQZZIIJCIO-JTQLQIEISA-N 1 3 280.363 -0.031 20 0 CBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOC[C@H]2CCCO2)C1 ZINC000647828572 419665110 /nfs/dbraw/zinc/66/51/10/419665110.db2.gz MVTHAJUBIFQYBU-UONOGXRCSA-N 1 3 299.415 -0.031 20 0 CBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662658808 419669924 /nfs/dbraw/zinc/66/99/24/419669924.db2.gz FKGPYRNZJLPGFR-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CCN1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662663378 419674066 /nfs/dbraw/zinc/67/40/66/419674066.db2.gz DWJGFSCREVMCDQ-VXGBXAGGSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000662668075 419674308 /nfs/dbraw/zinc/67/43/08/419674308.db2.gz ADPBBLWYRWXAQV-NWDGAFQWSA-N 1 3 255.362 -0.048 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC[N@@H+]1C ZINC000647874485 419682034 /nfs/dbraw/zinc/68/20/34/419682034.db2.gz ZSXAAOBIVIZQEM-GRYCIOLGSA-N 1 3 254.378 -0.572 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC[N@H+]1C ZINC000647874485 419682038 /nfs/dbraw/zinc/68/20/38/419682038.db2.gz ZSXAAOBIVIZQEM-GRYCIOLGSA-N 1 3 254.378 -0.572 20 0 CBADHO [NH3+]CCOCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000647882234 419684086 /nfs/dbraw/zinc/68/40/86/419684086.db2.gz ZICWKJKKUCDJFR-NSHDSACASA-N 1 3 256.350 -0.549 20 0 CBADHO CO[C@H]1CCN(CCC(=O)N2CCNCC2)[C@H](C[NH3+])C1 ZINC000647907029 419687727 /nfs/dbraw/zinc/68/77/27/419687727.db2.gz ZSEPPLBSIDYLLF-STQMWFEESA-N 1 3 284.404 -0.754 20 0 CBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000662702841 419692696 /nfs/dbraw/zinc/69/26/96/419692696.db2.gz NWBUVHYNCNTJQP-DLOVCJGASA-N 1 3 253.346 -0.297 20 0 CBADHO CCCN1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662703216 419692815 /nfs/dbraw/zinc/69/28/15/419692815.db2.gz GWIIYLCXHRHSSU-VXGBXAGGSA-N 1 3 282.388 -0.545 20 0 CBADHO C[NH2+]CCN(C)C(=O)NCCN(C)CCCOC ZINC000417761023 544590934 /nfs/dbraw/zinc/59/09/34/544590934.db2.gz YLYKTVMFQJWUPW-UHFFFAOYSA-N 1 3 260.382 -0.185 20 0 CBADHO CCCN1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000662703010 419695464 /nfs/dbraw/zinc/69/54/64/419695464.db2.gz GNVLBTXLVYYXNP-LLVKDONJSA-N 1 3 280.376 -0.159 20 0 CBADHO COCCCN(C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662743281 419705422 /nfs/dbraw/zinc/70/54/22/419705422.db2.gz NFZDEYYYIAVILY-NEPJUHHUSA-N 1 3 273.377 -0.565 20 0 CBADHO C[C@@H]([NH3+])C1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000647757267 419648164 /nfs/dbraw/zinc/64/81/64/419648164.db2.gz FVJJXKZQRJXPMC-SNVBAGLBSA-N 1 3 255.362 -0.049 20 0 CBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCCN1 ZINC000647770150 419650631 /nfs/dbraw/zinc/65/06/31/419650631.db2.gz ZOPUSXRYCPFTIG-GFCCVEGCSA-N 1 3 254.378 -0.508 20 0 CBADHO CCC[C@](C)(N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769614 419652718 /nfs/dbraw/zinc/65/27/18/419652718.db2.gz BLAPFJWGSUIBPV-ZDUSSCGKSA-N 1 3 256.394 -0.133 20 0 CBADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405268289 544588336 /nfs/dbraw/zinc/58/83/36/544588336.db2.gz SNOXPZMXDXSRJG-MJBXVCDLSA-N 1 3 271.405 -0.562 20 0 CBADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405268289 544588339 /nfs/dbraw/zinc/58/83/39/544588339.db2.gz SNOXPZMXDXSRJG-MJBXVCDLSA-N 1 3 271.405 -0.562 20 0 CBADHO CC(C)[C@@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632603 419657028 /nfs/dbraw/zinc/65/70/28/419657028.db2.gz REDFSKUYLGOFGF-GFCCVEGCSA-N 1 3 258.410 -0.031 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000662633689 419659432 /nfs/dbraw/zinc/65/94/32/419659432.db2.gz NXSQNLXYVUUNCO-CYBMUJFWSA-N 1 3 286.420 -0.635 20 0 CBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662789728 419728090 /nfs/dbraw/zinc/72/80/90/419728090.db2.gz DHJHWYCZLYLDBP-JOCQHMNTSA-N 1 3 268.405 -0.180 20 0 CBADHO CC1(OCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CNC1 ZINC000648110075 419735673 /nfs/dbraw/zinc/73/56/73/419735673.db2.gz XBYMCSSSBWSWOQ-ZDUSSCGKSA-N 1 3 253.346 -0.423 20 0 CBADHO CC(C)[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCN1 ZINC000648121713 419738378 /nfs/dbraw/zinc/73/83/78/419738378.db2.gz UHYUJWNQVZOPLZ-LLVKDONJSA-N 1 3 255.362 -0.179 20 0 CBADHO CN1CC[C@](N)(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124345 419742205 /nfs/dbraw/zinc/74/22/05/419742205.db2.gz XWPRABGMAWEYST-NQBHXWOUSA-N 1 3 252.362 -0.770 20 0 CBADHO CC[C@H]1CN(C(=O)COC2(C)CNC2)CC[C@H]1[NH3+] ZINC000648126511 419743088 /nfs/dbraw/zinc/74/30/88/419743088.db2.gz LLZOKKMQPTTWOC-WDEREUQCSA-N 1 3 255.362 -0.049 20 0 CBADHO [NH3+]CCn1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nn1 ZINC000662835728 419743812 /nfs/dbraw/zinc/74/38/12/419743812.db2.gz RVPGGLGRVAQFRF-YPMHNXCESA-N 1 3 292.387 -0.017 20 0 CBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648136711 419747592 /nfs/dbraw/zinc/74/75/92/419747592.db2.gz FBROBTMPNZFLGG-JFGNBEQYSA-N 1 3 255.362 -0.132 20 0 CBADHO CN(CCC[NH+](C)C)CCNC(=O)COC1(C)CNC1 ZINC000662857535 419750424 /nfs/dbraw/zinc/75/04/24/419750424.db2.gz OCUKQHNKGDRZDZ-UHFFFAOYSA-N 1 3 286.420 -0.635 20 0 CBADHO CC1(OCC(=O)N[C@@H]2CC23CC[NH2+]CC3)CNC1 ZINC000648140538 419752586 /nfs/dbraw/zinc/75/25/86/419752586.db2.gz YYACGIMTPBYGOR-SNVBAGLBSA-N 1 3 253.346 -0.377 20 0 CBADHO CC1(OCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CNC1 ZINC000648141392 419752782 /nfs/dbraw/zinc/75/27/82/419752782.db2.gz GRSZKWSBKGVWGD-WDEREUQCSA-N 1 3 253.346 -0.425 20 0 CBADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH3+])CCCC2)CC1=O ZINC000662862608 419758230 /nfs/dbraw/zinc/75/82/30/419758230.db2.gz DJJQFVHAAGUVLF-LBPRGKRZSA-N 1 3 296.415 -0.216 20 0 CBADHO CC1(OCC(=O)N[C@H](CC[NH3+])C(F)(F)F)CNC1 ZINC000648148374 419759458 /nfs/dbraw/zinc/75/94/58/419759458.db2.gz ARTBCDRPWKSSIV-SSDOTTSWSA-N 1 3 269.267 -0.239 20 0 CBADHO CN1CC[C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)[C@@H]2C1 ZINC000648168926 419762655 /nfs/dbraw/zinc/76/26/55/419762655.db2.gz HOVKURKJIYRRJO-VXGBXAGGSA-N 1 3 267.373 -0.083 20 0 CBADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930383 419782204 /nfs/dbraw/zinc/78/22/04/419782204.db2.gz PMYGSSRSFWLUQD-UHFFFAOYSA-N 1 3 284.404 -0.264 20 0 CBADHO CN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662778361 419719507 /nfs/dbraw/zinc/71/95/07/419719507.db2.gz GXABJFYMQOOMAQ-LLVKDONJSA-N 1 3 280.376 -0.116 20 0 CBADHO COCCN(C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000518471632 544601498 /nfs/dbraw/zinc/60/14/98/544601498.db2.gz XBYLKIMXNUIVQO-UONOGXRCSA-N 1 3 273.421 -0.191 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351561541 419822269 /nfs/dbraw/zinc/82/22/69/419822269.db2.gz YYHOWTPRTBOOPE-NWDGAFQWSA-N 1 3 282.388 -0.593 20 0 CBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351516523 419822578 /nfs/dbraw/zinc/82/25/78/419822578.db2.gz GFIUBMABENOZSJ-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CCN(CC)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271754 419859002 /nfs/dbraw/zinc/85/90/02/419859002.db2.gz WCJGAGIRARCTIS-UHFFFAOYSA-N 1 3 256.394 -0.308 20 0 CBADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663217069 419827957 /nfs/dbraw/zinc/82/79/57/419827957.db2.gz BKYQKDQMEXIENQ-SNVBAGLBSA-N 1 3 271.386 -0.718 20 0 CBADHO CN1CCC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663773620 419859299 /nfs/dbraw/zinc/85/92/99/419859299.db2.gz HQQUYTQANKGJFC-WOPDTQHZSA-N 1 3 270.377 -0.603 20 0 CBADHO CNC(=O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663462951 419840832 /nfs/dbraw/zinc/84/08/32/419840832.db2.gz IYPUFRDSLUXRFL-NSHDSACASA-N 1 3 287.408 -0.696 20 0 CBADHO CNC(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663462951 419840838 /nfs/dbraw/zinc/84/08/38/419840838.db2.gz IYPUFRDSLUXRFL-NSHDSACASA-N 1 3 287.408 -0.696 20 0 CBADHO CCN1CCN(CCC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649274623 419859588 /nfs/dbraw/zinc/85/95/88/419859588.db2.gz SGSYVVRVMKZRNV-KBPBESRZSA-N 1 3 298.431 -0.411 20 0 CBADHO CN(CCC[NH3+])C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000662962294 419794924 /nfs/dbraw/zinc/79/49/24/419794924.db2.gz FKUHXEOYHURRPB-UHFFFAOYSA-N 1 3 284.404 -0.262 20 0 CBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649304926 419870798 /nfs/dbraw/zinc/87/07/98/419870798.db2.gz NMLXTTWQZCONSF-RTXFEEFZSA-N 1 3 267.373 -0.036 20 0 CBADHO C[C@H](NC(=O)[C@@]1(N)CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314750 419879739 /nfs/dbraw/zinc/87/97/39/419879739.db2.gz OBWSADNAKSPXLL-SMDDNHRTSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@@H](NC(=O)[C@@]1(N)CCN(C)C1)C1CC[NH+](C)CC1 ZINC000649314747 419880024 /nfs/dbraw/zinc/88/00/24/419880024.db2.gz OBWSADNAKSPXLL-BXUZGUMPSA-N 1 3 268.405 -0.134 20 0 CBADHO COC1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649343153 419897759 /nfs/dbraw/zinc/89/77/59/419897759.db2.gz JUNZCJCNMQNVGA-ITGUQSILSA-N 1 3 267.373 -0.321 20 0 CBADHO CN1CCC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663773619 419860130 /nfs/dbraw/zinc/86/01/30/419860130.db2.gz HQQUYTQANKGJFC-SRVKXCTJSA-N 1 3 270.377 -0.603 20 0 CBADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000666922362 544650372 /nfs/dbraw/zinc/65/03/72/544650372.db2.gz OYOVNTZBPXLILP-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO CCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000666922362 544650379 /nfs/dbraw/zinc/65/03/79/544650379.db2.gz OYOVNTZBPXLILP-AGIUHOORSA-N 1 3 284.404 -0.213 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358680604 419912929 /nfs/dbraw/zinc/91/29/29/419912929.db2.gz AZDZMGHPRMVKBR-YPMHNXCESA-N 1 3 272.393 -0.308 20 0 CBADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000664727827 419914119 /nfs/dbraw/zinc/91/41/19/419914119.db2.gz QZJFIRVAWVVUTH-MNOVXSKESA-N 1 3 253.346 -0.425 20 0 CBADHO C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CCC[NH2+]C1 ZINC000664727493 419914349 /nfs/dbraw/zinc/91/43/49/419914349.db2.gz KMSHHSKWNKBEBC-GFCCVEGCSA-N 1 3 253.346 -0.423 20 0 CBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669452007 544749840 /nfs/dbraw/zinc/74/98/40/544749840.db2.gz NSHMUDYZHVKHDK-STQMWFEESA-N 1 3 284.404 -0.042 20 0 CBADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH3+])N1CCNCC1 ZINC000669511500 544750857 /nfs/dbraw/zinc/75/08/57/544750857.db2.gz PQVZROJRGHNVJK-NWDGAFQWSA-N 1 3 268.405 -0.086 20 0 CBADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH3+])N1CCNCC1 ZINC000669511501 544751213 /nfs/dbraw/zinc/75/12/13/544751213.db2.gz PQVZROJRGHNVJK-RYUDHWBXSA-N 1 3 268.405 -0.086 20 0 CBADHO CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000669512576 544751633 /nfs/dbraw/zinc/75/16/33/544751633.db2.gz FDUZYRVFWJKQRN-RYUDHWBXSA-N 1 3 254.378 -0.380 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CCN2)CCO1 ZINC000669512836 544752319 /nfs/dbraw/zinc/75/23/19/544752319.db2.gz ZRGQXQUYUCMWTJ-RHYQMDGZSA-N 1 3 255.362 -0.051 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])CN1C1CC1 ZINC000669524698 544752745 /nfs/dbraw/zinc/75/27/45/544752745.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 1 3 295.431 -0.104 20 0 CBADHO C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664895291 419919434 /nfs/dbraw/zinc/91/94/34/419919434.db2.gz DRKKHDFPYDRXKN-DCAQKATOSA-N 1 3 258.366 -0.747 20 0 CBADHO CCC[C@@H]1CNCCN1C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000359227165 419952269 /nfs/dbraw/zinc/95/22/69/419952269.db2.gz VHWSSFRCROPDMA-DGCLKSJQSA-N 1 3 284.404 -0.314 20 0 CBADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359428797 419963728 /nfs/dbraw/zinc/96/37/28/419963728.db2.gz HVIISBGSSRVHED-KBPBESRZSA-N 1 3 280.416 -0.308 20 0 CBADHO C[C@@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)[NH+](C)C ZINC000651137844 419987131 /nfs/dbraw/zinc/98/71/31/419987131.db2.gz OIAJUHSERLRQRQ-LBPRGKRZSA-N 1 3 299.419 -0.648 20 0 CBADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)n1 ZINC000361819608 420023655 /nfs/dbraw/zinc/02/36/55/420023655.db2.gz PSWMTVJQMXKYLM-GFCCVEGCSA-N 1 3 294.403 0.518 20 0 CBADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000361819608 420023657 /nfs/dbraw/zinc/02/36/57/420023657.db2.gz PSWMTVJQMXKYLM-GFCCVEGCSA-N 1 3 294.403 0.518 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](C)C1 ZINC000364214868 420031352 /nfs/dbraw/zinc/03/13/52/420031352.db2.gz MPFABAJCRQHCAK-WUHRBBMRSA-N 1 3 269.389 -0.054 20 0 CBADHO C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCC(C)CC1 ZINC000365106245 420053969 /nfs/dbraw/zinc/05/39/69/420053969.db2.gz TXVJUBHOHHBLEM-YNEHKIRRSA-N 1 3 269.389 -0.054 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)C1 ZINC000365091152 420055277 /nfs/dbraw/zinc/05/52/77/420055277.db2.gz MQJZNYXTXPBOES-QCNOEVLYSA-N 1 3 287.429 -0.133 20 0 CBADHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365156979 420057478 /nfs/dbraw/zinc/05/74/78/420057478.db2.gz QBFASUNBUKHKGP-QJPTWQEYSA-N 1 3 255.362 -0.348 20 0 CBADHO [NH3+]CCOCCN1CCC(Cn2cnnc2)CC1 ZINC000652353380 420059392 /nfs/dbraw/zinc/05/93/92/420059392.db2.gz CJQGFPUKLJKZSB-UHFFFAOYSA-N 1 3 253.350 -0.035 20 0 CBADHO COCCN(C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111377 420116055 /nfs/dbraw/zinc/11/60/55/420116055.db2.gz NNISLGBXHPEZGG-JSGCOSHPSA-N 1 3 285.388 -0.693 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653105147 420116169 /nfs/dbraw/zinc/11/61/69/420116169.db2.gz HSVWKIDIQVPUAN-VXGBXAGGSA-N 1 3 256.394 -0.134 20 0 CBADHO CN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653104994 420116311 /nfs/dbraw/zinc/11/63/11/420116311.db2.gz AFJDMYVGDDLJOD-GWCFXTLKSA-N 1 3 253.346 -0.567 20 0 CBADHO CN1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114126 420118713 /nfs/dbraw/zinc/11/87/13/420118713.db2.gz ZCODSBHEOOEZBL-DYEKYZERSA-N 1 3 267.373 -0.320 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653116840 420118740 /nfs/dbraw/zinc/11/87/40/420118740.db2.gz WENLMTXJZQXSRT-CHWSQXEVSA-N 1 3 286.420 -0.508 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653124018 420119771 /nfs/dbraw/zinc/11/97/71/420119771.db2.gz OEZWCFQYPYOEGY-WXHSDQCUSA-N 1 3 268.405 -0.136 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653123669 420119793 /nfs/dbraw/zinc/11/97/93/420119793.db2.gz DASQMPGYHLQMAI-MPXAEWJHSA-N 1 3 279.384 -0.179 20 0 CBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000653115198 420120185 /nfs/dbraw/zinc/12/01/85/420120185.db2.gz GNVFCOTVUKYMLQ-CHWSQXEVSA-N 1 3 268.405 -0.038 20 0 CBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCN(C2CC2)C1 ZINC000653117416 420120287 /nfs/dbraw/zinc/12/02/87/420120287.db2.gz LFGNDUNMACXJOC-WHOFXGATSA-N 1 3 279.384 -0.083 20 0 CBADHO COCCN(CCN(C)C)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653149903 420122855 /nfs/dbraw/zinc/12/28/55/420122855.db2.gz KYERABQVODRHJA-LBPRGKRZSA-N 1 3 274.409 -0.698 20 0 CBADHO C[NH+](C)CC[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000653151172 420123230 /nfs/dbraw/zinc/12/32/30/420123230.db2.gz ZGICGJGQFCDMOL-LBPRGKRZSA-N 1 3 254.378 -0.428 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653155731 420123978 /nfs/dbraw/zinc/12/39/78/420123978.db2.gz DLHCRWUNNYPHNF-LBPRGKRZSA-N 1 3 256.394 -0.182 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)C2CCC2)C[C@H]1C[NH3+] ZINC000653248164 420129821 /nfs/dbraw/zinc/12/98/21/420129821.db2.gz GHQRCCCYDCVLOF-IJLUTSLNSA-N 1 3 255.362 -0.064 20 0 CBADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN(C)C ZINC000672696842 544858193 /nfs/dbraw/zinc/85/81/93/544858193.db2.gz NTXLEBZCKWHSFN-ZDUSSCGKSA-N 1 3 298.431 -0.003 20 0 CBADHO CN(C)CCn1cc(NC(=O)NC2C[NH2+]C2)cn1 ZINC000652612113 420071050 /nfs/dbraw/zinc/07/10/50/420071050.db2.gz IWQASQHUXSLBNQ-UHFFFAOYSA-N 1 3 252.322 -0.462 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652699228 420074308 /nfs/dbraw/zinc/07/43/08/420074308.db2.gz SQYCQVIVHIBCJQ-GFCCVEGCSA-N 1 3 284.404 -0.358 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000652700993 420075120 /nfs/dbraw/zinc/07/51/20/420075120.db2.gz XNENWGGPLBEJHZ-CYBMUJFWSA-N 1 3 296.415 -0.216 20 0 CBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000652731167 420078969 /nfs/dbraw/zinc/07/89/69/420078969.db2.gz CSHIICSLAURFQL-CYBMUJFWSA-N 1 3 296.415 -0.120 20 0 CBADHO NC(=O)[C@]1(O)CC[N@H+](CCCN2CCCCC2)C1 ZINC000370599287 420183211 /nfs/dbraw/zinc/18/32/11/420183211.db2.gz WULXZLMRCVZCFC-ZDUSSCGKSA-N 1 3 255.362 -0.216 20 0 CBADHO NC(=O)[C@]1(O)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000370599287 420183214 /nfs/dbraw/zinc/18/32/14/420183214.db2.gz WULXZLMRCVZCFC-ZDUSSCGKSA-N 1 3 255.362 -0.216 20 0 CBADHO COCCN(C)CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000370766945 420184781 /nfs/dbraw/zinc/18/47/81/420184781.db2.gz QMRPXQJSQPTGLI-CQSZACIVSA-N 1 3 287.404 -0.303 20 0 CBADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000654583227 420186898 /nfs/dbraw/zinc/18/68/98/420186898.db2.gz KXZMISPWBVUUCP-SDDRHHMPSA-N 1 3 270.377 -0.603 20 0 CBADHO CCN1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370780529 420188445 /nfs/dbraw/zinc/18/84/45/420188445.db2.gz SVHKDPCSCOWFAO-AWEZNQCLSA-N 1 3 286.395 -0.168 20 0 CBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1=O ZINC000370021502 420171847 /nfs/dbraw/zinc/17/18/47/420171847.db2.gz QLKDLJYBJBXPRO-OLZOCXBDSA-N 1 3 296.415 -0.345 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395406 420176227 /nfs/dbraw/zinc/17/62/27/420176227.db2.gz LXOQHVXMTXVBCC-RWMBFGLXSA-N 1 3 282.388 -0.459 20 0 CBADHO CN1CCC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654395406 420176231 /nfs/dbraw/zinc/17/62/31/420176231.db2.gz LXOQHVXMTXVBCC-RWMBFGLXSA-N 1 3 282.388 -0.459 20 0 CBADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400235312 420221538 /nfs/dbraw/zinc/22/15/38/420221538.db2.gz USDDLAYPBPXAIQ-WDEREUQCSA-N 1 3 279.406 -0.636 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000655096155 420221663 /nfs/dbraw/zinc/22/16/63/420221663.db2.gz FSVZEGDIWQKIIE-WYUUTHIRSA-N 1 3 255.362 -0.540 20 0 CBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000655096155 420221667 /nfs/dbraw/zinc/22/16/67/420221667.db2.gz FSVZEGDIWQKIIE-WYUUTHIRSA-N 1 3 255.362 -0.540 20 0 CBADHO COCCN(C)C[C@@H](O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405075887 420225718 /nfs/dbraw/zinc/22/57/18/420225718.db2.gz JPABICXJVCOPKO-QWHCGFSZSA-N 1 3 297.403 -0.316 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415223249 420240770 /nfs/dbraw/zinc/24/07/70/420240770.db2.gz XQBNIUFNKJYDPG-VXGBXAGGSA-N 1 3 294.403 0.564 20 0 CBADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418568860 420242321 /nfs/dbraw/zinc/24/23/21/420242321.db2.gz BPCRKPRQINCVOS-NWDGAFQWSA-N 1 3 272.393 -0.130 20 0 CBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH3+] ZINC000419032917 420243013 /nfs/dbraw/zinc/24/30/13/420243013.db2.gz XPXVZSCFEAXUMU-MNOVXSKESA-N 1 3 270.377 -0.702 20 0 CBADHO CN(CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419107308 420243714 /nfs/dbraw/zinc/24/37/14/420243714.db2.gz PMJYXMAPYXKBRD-MNOVXSKESA-N 1 3 282.388 -0.417 20 0 CBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418931740 420243936 /nfs/dbraw/zinc/24/39/36/420243936.db2.gz HHTZIZZJZIYCOH-FRRDWIJNSA-N 1 3 298.431 -0.053 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419575160 420246069 /nfs/dbraw/zinc/24/60/69/420246069.db2.gz AAZBLIFTNFWAFC-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419700069 420246268 /nfs/dbraw/zinc/24/62/68/420246268.db2.gz WYRNGJCJLRTULO-NWDGAFQWSA-N 1 3 296.415 -0.027 20 0 CBADHO CN1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000655419323 420247288 /nfs/dbraw/zinc/24/72/88/420247288.db2.gz SICKEUWJYVCADS-NWDGAFQWSA-N 1 3 254.378 -0.523 20 0 CBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419892183 420248109 /nfs/dbraw/zinc/24/81/09/420248109.db2.gz JBNJCHZEVKUFKF-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCN1CCC[C@@H]1C(N)=O ZINC000422891016 420253708 /nfs/dbraw/zinc/25/37/08/420253708.db2.gz UJOJDUJXWUVCEB-JHJVBQTASA-N 1 3 268.405 -0.086 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488501 420255919 /nfs/dbraw/zinc/25/59/19/420255919.db2.gz BSVSMJWQENDOGH-LOWVWBTDSA-N 1 3 284.404 -0.458 20 0 CBADHO [NH3+]C[C@@H](NC(=O)CNC[C@H]1CCCO1)C(F)(F)F ZINC000655505284 420258948 /nfs/dbraw/zinc/25/89/48/420258948.db2.gz VHUXIRDZGMNBSD-HTQZYQBOSA-N 1 3 269.267 -0.239 20 0 CBADHO NC[C@@H](NC(=O)COC1CC[NH2+]CC1)C(F)(F)F ZINC000655517435 420262181 /nfs/dbraw/zinc/26/21/81/420262181.db2.gz BZMYTYYEBUXDGE-MRVPVSSYSA-N 1 3 269.267 -0.239 20 0 CBADHO NC[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C(F)(F)F ZINC000655514841 420262610 /nfs/dbraw/zinc/26/26/10/420262610.db2.gz DMNCXBPNNQGQAL-BKPPORCPSA-N 1 3 251.252 -0.008 20 0 CBADHO [NH3+]C[C@H](NC(=O)CCOC1CNC1)C(F)(F)F ZINC000655516849 420262633 /nfs/dbraw/zinc/26/26/33/420262633.db2.gz ZVIWWAOSIWRZOO-ZETCQYMHSA-N 1 3 255.240 -0.629 20 0 CBADHO CC(C)N1CC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430629334 420273118 /nfs/dbraw/zinc/27/31/18/420273118.db2.gz PWYKYFVINSOGLA-STQMWFEESA-N 1 3 296.415 -0.217 20 0 CBADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916739 420275814 /nfs/dbraw/zinc/27/58/14/420275814.db2.gz HMLFQJBUNWXJHH-BDAKNGLRSA-N 1 3 298.309 -0.104 20 0 CBADHO [NH3+]C1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000655963012 420282577 /nfs/dbraw/zinc/28/25/77/420282577.db2.gz FDDHCZIKBRZWJT-IFWUJCSASA-N 1 3 282.388 -0.283 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](CN)C1 ZINC000655971120 420284879 /nfs/dbraw/zinc/28/48/79/420284879.db2.gz SVBJMRWOZMDQEU-XQQFMLRXSA-N 1 3 283.420 -0.389 20 0 CBADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968919 420285084 /nfs/dbraw/zinc/28/50/84/420285084.db2.gz BBYRCURTRFOPGY-HZSPNIEDSA-N 1 3 296.415 -0.021 20 0 CBADHO C[C@@]1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000655965448 420285240 /nfs/dbraw/zinc/28/52/40/420285240.db2.gz UQWRZYDITWVMOQ-GZBFAFLISA-N 1 3 296.415 -0.164 20 0 CBADHO O=C(NCC1=CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965940 420285360 /nfs/dbraw/zinc/28/53/60/420285360.db2.gz LAEOWPZCLXJGOQ-QWHCGFSZSA-N 1 3 280.372 -0.634 20 0 CBADHO CC[NH2+][C@H](C)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967337 420285705 /nfs/dbraw/zinc/28/57/05/420285705.db2.gz SGYHXAQMIGCMCX-GRYCIOLGSA-N 1 3 270.377 -0.555 20 0 CBADHO CN(C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000655095985 420219661 /nfs/dbraw/zinc/21/96/61/420219661.db2.gz GRZORPFWJCIPOY-STQMWFEESA-N 1 3 269.389 -0.148 20 0 CBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000656303610 420306233 /nfs/dbraw/zinc/30/62/33/420306233.db2.gz KYMPLXFFNCQODG-BJHJDKERSA-N 1 3 296.415 -0.347 20 0 CBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516766130 420362854 /nfs/dbraw/zinc/36/28/54/420362854.db2.gz DBWREUBDAAQTPM-FRRDWIJNSA-N 1 3 296.415 -0.347 20 0 CBADHO [NH3+]C[C@H](O)CCc1cn(CCCN2CCSCC2)nn1 ZINC000656450225 420309390 /nfs/dbraw/zinc/30/93/90/420309390.db2.gz OCJOYYMJTXSRAI-CYBMUJFWSA-N 1 3 299.444 -0.031 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3COC[C@@]3(C)C2)C1=O ZINC000656477939 420311780 /nfs/dbraw/zinc/31/17/80/420311780.db2.gz ODRYBYAFCNFPMM-SLEUVZQESA-N 1 3 295.383 -0.356 20 0 CBADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@H]3COC[C@@]3(C)C2)C1=O ZINC000656477939 420311782 /nfs/dbraw/zinc/31/17/82/420311782.db2.gz ODRYBYAFCNFPMM-SLEUVZQESA-N 1 3 295.383 -0.356 20 0 CBADHO COCCNCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000516768331 420363894 /nfs/dbraw/zinc/36/38/94/420363894.db2.gz FILBBPFUEUYWQC-LLVKDONJSA-N 1 3 255.362 -0.272 20 0 CBADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CNC2)CCCCC1 ZINC000516635326 420361576 /nfs/dbraw/zinc/36/15/76/420361576.db2.gz HRYDSSWZOAFBML-UHFFFAOYSA-N 1 3 282.388 -0.545 20 0 CBADHO [NH3+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019611 420292917 /nfs/dbraw/zinc/29/29/17/420292917.db2.gz HNPRKPDFRSZYDA-QWRGUYRKSA-N 1 3 268.361 -0.806 20 0 CBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028505 420295823 /nfs/dbraw/zinc/29/58/23/420295823.db2.gz LXEKPCQESZATBP-UPJWGTAASA-N 1 3 294.399 -0.321 20 0 CBADHO CN1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@H](CN)C1 ZINC000517225258 420375143 /nfs/dbraw/zinc/37/51/43/420375143.db2.gz RULJMAONAVEIBG-GFCCVEGCSA-N 1 3 283.420 -0.068 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000517384868 420376572 /nfs/dbraw/zinc/37/65/72/420376572.db2.gz BNZANOBXRSPXSI-IQLKVPPVSA-N 1 3 283.372 -0.003 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1CSCCN1 ZINC000519697657 420386092 /nfs/dbraw/zinc/38/60/92/420386092.db2.gz RPEFTOVFOUMFQN-QWRGUYRKSA-N 1 3 272.418 -0.899 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000658758529 420386069 /nfs/dbraw/zinc/38/60/69/420386069.db2.gz VPYGBKKHYFVCOT-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000658758529 420386075 /nfs/dbraw/zinc/38/60/75/420386075.db2.gz VPYGBKKHYFVCOT-CYBMUJFWSA-N 1 3 296.415 -0.441 20 0 CBADHO CC[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)N(C)C ZINC000519765018 420388348 /nfs/dbraw/zinc/38/83/48/420388348.db2.gz DCRLKWXKAHPJBG-GXTWGEPZSA-N 1 3 269.389 -0.101 20 0 CBADHO CCN(C(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000658829921 420389937 /nfs/dbraw/zinc/38/99/37/420389937.db2.gz OMEBDTDVBWXHKS-CYBMUJFWSA-N 1 3 298.431 -0.051 20 0 CBADHO CC1(C)CNCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659294069 420407634 /nfs/dbraw/zinc/40/76/34/420407634.db2.gz KWDFZLRUGYTPRP-UHFFFAOYSA-N 1 3 252.322 -0.939 20 0 CBADHO COC[C@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]C1 ZINC000659387454 420418363 /nfs/dbraw/zinc/41/83/63/420418363.db2.gz VOVIBDCYVFZBJN-FOGDFJRCSA-N 1 3 259.325 -0.490 20 0 CBADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659459486 420421521 /nfs/dbraw/zinc/42/15/21/420421521.db2.gz YYFDNOFUJVOZRC-QJPTWQEYSA-N 1 3 288.367 -0.212 20 0 CBADHO COCCN1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659457278 420422106 /nfs/dbraw/zinc/42/21/06/420422106.db2.gz DIFHUUUXULWPSA-MBHSVXNSSA-N 1 3 282.388 -0.242 20 0 CBADHO CC(C)[NH2+]CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659358906 420416684 /nfs/dbraw/zinc/41/66/84/420416684.db2.gz POWHWCKHGHZDCP-UHFFFAOYSA-N 1 3 272.393 -0.537 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659573403 420434360 /nfs/dbraw/zinc/43/43/60/420434360.db2.gz NGTZVNURUANBKC-CYBMUJFWSA-N 1 3 270.377 -0.376 20 0 CBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659534347 420430486 /nfs/dbraw/zinc/43/04/86/420430486.db2.gz SFEMQCGKBSBXTF-WPRPVWTQSA-N 1 3 294.359 -0.562 20 0 CBADHO COC[C@@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]1 ZINC000659542403 420431502 /nfs/dbraw/zinc/43/15/02/420431502.db2.gz NZRKTGSAKOSIDW-WZRBSPASSA-N 1 3 288.367 -0.164 20 0 CBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659547396 420432033 /nfs/dbraw/zinc/43/20/33/420432033.db2.gz CODYPNPCRGRGGA-QWRGUYRKSA-N 1 3 287.408 -0.617 20 0 CBADHO O=C(NC[C@@H]1CNCCO1)NCC12CC(C1)C[NH2+]2 ZINC000659552908 420432947 /nfs/dbraw/zinc/43/29/47/420432947.db2.gz GOYPXOJTKTUCQJ-YZRBJQDESA-N 1 3 254.334 -0.974 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680834144 545041265 /nfs/dbraw/zinc/04/12/65/545041265.db2.gz BJKJNZPJAMNHAZ-ZFWWWQNUSA-N 1 3 296.415 -0.164 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680834144 545041266 /nfs/dbraw/zinc/04/12/66/545041266.db2.gz BJKJNZPJAMNHAZ-ZFWWWQNUSA-N 1 3 296.415 -0.164 20 0 CBADHO C[C@@H](NC1CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000579227935 420467205 /nfs/dbraw/zinc/46/72/05/420467205.db2.gz OCTSBWXBOVABSS-SNVBAGLBSA-N 1 3 265.361 0.524 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000659750236 420467346 /nfs/dbraw/zinc/46/73/46/420467346.db2.gz FNSYVYAUILYXKU-MNOVXSKESA-N 1 3 270.377 -0.737 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750076 420467418 /nfs/dbraw/zinc/46/74/18/420467418.db2.gz MKLRGLRVHNAHRO-MNOVXSKESA-N 1 3 270.377 -0.689 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659750056 420467488 /nfs/dbraw/zinc/46/74/88/420467488.db2.gz DFWBZTDBDDTENB-MNOVXSKESA-N 1 3 284.404 -0.301 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000659752639 420468292 /nfs/dbraw/zinc/46/82/92/420468292.db2.gz KVKFOPUXLQRXRC-WDEREUQCSA-N 1 3 270.377 -0.737 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000659753972 420468312 /nfs/dbraw/zinc/46/83/12/420468312.db2.gz CADWBCFTWJQWAR-OLZOCXBDSA-N 1 3 296.415 -0.203 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000659755219 420469093 /nfs/dbraw/zinc/46/90/93/420469093.db2.gz JLJWJVWYAVGLAZ-AGIUHOORSA-N 1 3 298.431 -0.053 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000659757508 420469189 /nfs/dbraw/zinc/46/91/89/420469189.db2.gz YXAOWHIHNYFUBQ-RYUDHWBXSA-N 1 3 284.404 -0.348 20 0 CBADHO O=C(NC[C@H]1CCCCN1CCO)NCC12CC(C1)C[NH2+]2 ZINC000659613844 420437562 /nfs/dbraw/zinc/43/75/62/420437562.db2.gz MYCWJXUAGBQFSN-JVWICGRDSA-N 1 3 296.415 -0.116 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000659636370 420441989 /nfs/dbraw/zinc/44/19/89/420441989.db2.gz KTASKMFITLHSGN-ZDUSSCGKSA-N 1 3 285.436 -0.127 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000659643274 420443123 /nfs/dbraw/zinc/44/31/23/420443123.db2.gz PTUQGCNHGKIWGR-VXGBXAGGSA-N 1 3 272.393 -0.260 20 0 CBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000566194218 420444401 /nfs/dbraw/zinc/44/44/01/420444401.db2.gz WQIXYVGFTPKCDF-GHMZBOCLSA-N 1 3 265.361 0.381 20 0 CBADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659675543 420446391 /nfs/dbraw/zinc/44/63/91/420446391.db2.gz RIFXKCXWVDEUEH-XIKARTHZSA-N 1 3 296.415 -0.299 20 0 CBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659685807 420448919 /nfs/dbraw/zinc/44/89/19/420448919.db2.gz PHYYOABTHRQDMG-RYUDHWBXSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000659693546 420450377 /nfs/dbraw/zinc/45/03/77/420450377.db2.gz ILSQJMRRWYWZCH-UHFFFAOYSA-N 1 3 294.399 -0.463 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000659697001 420450608 /nfs/dbraw/zinc/45/06/08/420450608.db2.gz FTEODYYIYXXHMC-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000659694643 420451265 /nfs/dbraw/zinc/45/12/65/420451265.db2.gz QKZNWOHYOHPXOK-UHFFFAOYSA-N 1 3 294.399 -0.545 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000659701819 420451621 /nfs/dbraw/zinc/45/16/21/420451621.db2.gz JUPGWOXHVVEIAE-MNOVXSKESA-N 1 3 282.388 -0.523 20 0 CBADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N(C)C1CC1 ZINC000659701902 420452873 /nfs/dbraw/zinc/45/28/73/420452873.db2.gz JNNDGUNJMLHPLN-SNVBAGLBSA-N 1 3 284.404 -0.219 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709577 420453920 /nfs/dbraw/zinc/45/39/20/420453920.db2.gz JEWTXDXCOPENKQ-LBPRGKRZSA-N 1 3 282.388 -0.545 20 0 CBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709383 420454042 /nfs/dbraw/zinc/45/40/42/420454042.db2.gz IBNURPJTIHMWEP-GFCCVEGCSA-N 1 3 296.415 -0.156 20 0 CBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711602 420454783 /nfs/dbraw/zinc/45/47/83/420454783.db2.gz BCESOCBWTNXUBY-LBPRGKRZSA-N 1 3 296.415 -0.156 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000659711902 420454943 /nfs/dbraw/zinc/45/49/43/420454943.db2.gz FGDYSMDRCOCQQS-CHWSQXEVSA-N 1 3 296.415 -0.297 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000659710532 420455152 /nfs/dbraw/zinc/45/51/52/420455152.db2.gz RTHCRAGCIXEFAZ-ZDUSSCGKSA-N 1 3 296.415 -0.297 20 0 CBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659718212 420457720 /nfs/dbraw/zinc/45/77/20/420457720.db2.gz MRXPAXKYQXUZLG-GHMZBOCLSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659718313 420458128 /nfs/dbraw/zinc/45/81/28/420458128.db2.gz OXYUBMGHTAHWCQ-ZJUUUORDSA-N 1 3 270.377 -0.561 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000659720867 420459501 /nfs/dbraw/zinc/45/95/01/420459501.db2.gz FXPGMIXGGGQZCY-AGIUHOORSA-N 1 3 296.415 -0.299 20 0 CBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659726284 420459832 /nfs/dbraw/zinc/45/98/32/420459832.db2.gz IXKCTUYCXQEEAO-AVGNSLFASA-N 1 3 294.399 -0.402 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659723927 420460359 /nfs/dbraw/zinc/46/03/59/420460359.db2.gz RYJJNEKITQTKAH-ZDUSSCGKSA-N 1 3 294.399 -0.377 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC000659723084 420460383 /nfs/dbraw/zinc/46/03/83/420460383.db2.gz HUAMHDSOOJWUJY-VXGBXAGGSA-N 1 3 284.404 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000659725125 420460422 /nfs/dbraw/zinc/46/04/22/420460422.db2.gz XPOHWLLFPWQZCK-AGIUHOORSA-N 1 3 296.415 -0.299 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC000659723083 420460528 /nfs/dbraw/zinc/46/05/28/420460528.db2.gz HUAMHDSOOJWUJY-NEPJUHHUSA-N 1 3 284.404 -0.299 20 0 CBADHO Cc1cc(NC(=O)CC[NH2+]CCOCCN(C)C)no1 ZINC000574802737 420461066 /nfs/dbraw/zinc/46/10/66/420461066.db2.gz FNDCFHKFQOJGQJ-UHFFFAOYSA-N 1 3 284.360 0.479 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000659729690 420461096 /nfs/dbraw/zinc/46/10/96/420461096.db2.gz TUMCILMMKIHNCS-SRVKXCTJSA-N 1 3 284.404 -0.171 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000659738289 420463030 /nfs/dbraw/zinc/46/30/30/420463030.db2.gz DHIJTGZELJVVQH-UPJWGTAASA-N 1 3 296.415 -0.217 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000659738158 420463298 /nfs/dbraw/zinc/46/32/98/420463298.db2.gz AUBZCPZFUVHQLZ-QWHCGFSZSA-N 1 3 296.415 -0.203 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659738484 420463725 /nfs/dbraw/zinc/46/37/25/420463725.db2.gz FDIRRPZRYOLOOH-MQYJIDSJSA-N 1 3 294.399 -0.463 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659739444 420464195 /nfs/dbraw/zinc/46/41/95/420464195.db2.gz UPCPJRGQBOOJGR-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659741942 420465048 /nfs/dbraw/zinc/46/50/48/420465048.db2.gz RIUFWWRQNKQYSZ-OLZOCXBDSA-N 1 3 298.431 -0.053 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000659739426 420465081 /nfs/dbraw/zinc/46/50/81/420465081.db2.gz UGTZTAZOBCAMRT-LBPRGKRZSA-N 1 3 284.404 -0.345 20 0 CBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000659750238 420466987 /nfs/dbraw/zinc/46/69/87/420466987.db2.gz FNSYVYAUILYXKU-QWRGUYRKSA-N 1 3 270.377 -0.737 20 0 CBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000659750233 420467038 /nfs/dbraw/zinc/46/70/38/420467038.db2.gz FNSYVYAUILYXKU-GHMZBOCLSA-N 1 3 270.377 -0.737 20 0 CBADHO O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@]1(F)CCNC1 ZINC000583621419 420474053 /nfs/dbraw/zinc/47/40/53/420474053.db2.gz HEMWWOSDFAOOQD-BXKDBHETSA-N 1 3 267.308 0.058 20 0 CBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000518945855 265238452 /nfs/dbraw/zinc/23/84/52/265238452.db2.gz AFIQHNJUSAWTAJ-LLVKDONJSA-N 1 3 282.388 -0.832 20 0 CBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000518945855 265238454 /nfs/dbraw/zinc/23/84/54/265238454.db2.gz AFIQHNJUSAWTAJ-LLVKDONJSA-N 1 3 282.388 -0.832 20 0 CBADHO O=C1NCC[C@H]1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239704 269639670 /nfs/dbraw/zinc/63/96/70/269639670.db2.gz HCZJEUIHJKDHSV-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419585815 276362577 /nfs/dbraw/zinc/36/25/77/276362577.db2.gz MKVDUSPFWOVKKS-QWHCGFSZSA-N 1 3 296.415 -0.216 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419585812 276362836 /nfs/dbraw/zinc/36/28/36/276362836.db2.gz MKVDUSPFWOVKKS-CHWSQXEVSA-N 1 3 296.415 -0.216 20 0 CBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659026 277029678 /nfs/dbraw/zinc/02/96/78/277029678.db2.gz ANWUAZPBJGUNHI-DGCLKSJQSA-N 1 3 257.378 -0.066 20 0 CBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000515659026 277029679 /nfs/dbraw/zinc/02/96/79/277029679.db2.gz ANWUAZPBJGUNHI-DGCLKSJQSA-N 1 3 257.378 -0.066 20 0 CBADHO CN1CCN(C(=O)CCN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422714154 277089259 /nfs/dbraw/zinc/08/92/59/277089259.db2.gz KSJCYBFJVSZBKM-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO CN1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422714154 277089262 /nfs/dbraw/zinc/08/92/62/277089262.db2.gz KSJCYBFJVSZBKM-QWHCGFSZSA-N 1 3 268.405 -0.133 20 0 CBADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419034442 277267957 /nfs/dbraw/zinc/26/79/57/277267957.db2.gz ZNRKALYWULQLBQ-OLZOCXBDSA-N 1 3 298.431 -0.051 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423510690 277565484 /nfs/dbraw/zinc/56/54/84/277565484.db2.gz POHGFBCDALQAJI-GFCCVEGCSA-N 1 3 284.404 -0.265 20 0 CBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418495366 278244488 /nfs/dbraw/zinc/24/44/88/278244488.db2.gz UMKFIMOUBAPHFY-NWDGAFQWSA-N 1 3 272.393 -0.273 20 0 CBADHO C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1N(C)C ZINC000331520268 278633335 /nfs/dbraw/zinc/63/33/35/278633335.db2.gz CMZGZYFGEWKSFR-GHMZBOCLSA-N 1 3 282.388 -0.608 20 0 CBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419595431 279268733 /nfs/dbraw/zinc/26/87/33/279268733.db2.gz WUIVINNZZOENTC-GHMZBOCLSA-N 1 3 270.377 -0.560 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419590379 279279251 /nfs/dbraw/zinc/27/92/51/279279251.db2.gz QGCMSSSCNQFFAK-NSHDSACASA-N 1 3 270.377 -0.687 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419863002 279306946 /nfs/dbraw/zinc/30/69/46/279306946.db2.gz DKQFJGKVXBEIEF-YNEHKIRRSA-N 1 3 296.415 -0.027 20 0 CBADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CNCCN1C ZINC000423500851 288123827 /nfs/dbraw/zinc/12/38/27/288123827.db2.gz DBCVWDJQUYZWJU-BNOWGMLFSA-N 1 3 252.406 -0.038 20 0 CBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000419885529 279499267 /nfs/dbraw/zinc/49/92/67/279499267.db2.gz HJIUSLJDBMRVQT-LLVKDONJSA-N 1 3 270.377 -0.735 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418739583 280165543 /nfs/dbraw/zinc/16/55/43/280165543.db2.gz YVKHRASHYCCQIO-VXGBXAGGSA-N 1 3 272.393 -0.130 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377529337 280272777 /nfs/dbraw/zinc/27/27/77/280272777.db2.gz BQWYLYHEVUFNDY-NEPJUHHUSA-N 1 3 254.378 -0.524 20 0 CBADHO CC(C)[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376054432 280273177 /nfs/dbraw/zinc/27/31/77/280273177.db2.gz HFFLWIFYYXRNBY-NEPJUHHUSA-N 1 3 254.378 -0.524 20 0 CBADHO CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN1 ZINC000333498300 281175322 /nfs/dbraw/zinc/17/53/22/281175322.db2.gz FCLBKQRYTBFQFJ-LLVKDONJSA-N 1 3 270.377 -0.242 20 0 CBADHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000333660895 289198769 /nfs/dbraw/zinc/19/87/69/289198769.db2.gz LNZBEYVXGJAOPL-NWDGAFQWSA-N 1 3 270.377 -0.290 20 0 CBADHO C[NH+](C)C[C@@H]1CN(CCN2CCCOCC2)CCO1 ZINC000361291305 289201914 /nfs/dbraw/zinc/20/19/14/289201914.db2.gz WZXGDIGUHMRKAK-CQSZACIVSA-N 1 3 271.405 -0.029 20 0 CBADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805954 289213755 /nfs/dbraw/zinc/21/37/55/289213755.db2.gz BZAMHAMCSYIUDT-KGLIPLIRSA-N 1 3 271.405 -0.437 20 0 CBADHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000246805954 289213752 /nfs/dbraw/zinc/21/37/52/289213752.db2.gz BZAMHAMCSYIUDT-KGLIPLIRSA-N 1 3 271.405 -0.437 20 0 CBADHO CN(C)[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351561540 289291773 /nfs/dbraw/zinc/29/17/73/289291773.db2.gz YYHOWTPRTBOOPE-NEPJUHHUSA-N 1 3 282.388 -0.593 20 0 CBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COC2CNC2)C1 ZINC000430775749 289304484 /nfs/dbraw/zinc/30/44/84/289304484.db2.gz MDKDHWAWHQWTKC-WDEREUQCSA-N 1 3 255.362 -0.036 20 0 CBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(N)=O)CC1 ZINC000105861990 290085044 /nfs/dbraw/zinc/08/50/44/290085044.db2.gz OGMONRTZDITQTC-QWRGUYRKSA-N 1 3 257.378 -0.115 20 0 CBADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)[C@@H]1C[NH3+] ZINC000423743653 290420374 /nfs/dbraw/zinc/42/03/74/290420374.db2.gz VPBYEFXRBQZWJB-NWDGAFQWSA-N 1 3 284.404 -0.408 20 0 CBADHO C[C@H]1CCN(C(=O)CCOC2CNC2)C[C@H]1C[NH3+] ZINC000424000768 290534203 /nfs/dbraw/zinc/53/42/03/290534203.db2.gz OPFIFZIYBNERCB-WDEREUQCSA-N 1 3 255.362 -0.192 20 0 CBADHO CO[C@@H](CN)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353441983 293513445 /nfs/dbraw/zinc/51/34/45/293513445.db2.gz GBTNOXLAWNUNQE-AAEUAGOBSA-N 1 3 287.404 -0.489 20 0 CBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@H]2N)cn1 ZINC000333606399 294281266 /nfs/dbraw/zinc/28/12/66/294281266.db2.gz REVWTIFQQYWPIW-FRRDWIJNSA-N 1 3 292.387 -0.392 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331682990 295251709 /nfs/dbraw/zinc/25/17/09/295251709.db2.gz UJIWPUCHGMWWNV-YNEHKIRRSA-N 1 3 294.399 -0.321 20 0 CBADHO NC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331682990 295251711 /nfs/dbraw/zinc/25/17/11/295251711.db2.gz UJIWPUCHGMWWNV-YNEHKIRRSA-N 1 3 294.399 -0.321 20 0 CBADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419138711 298531868 /nfs/dbraw/zinc/53/18/68/298531868.db2.gz REJQAUJTPRCWKK-IJLUTSLNSA-N 1 3 284.404 -0.219 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419417088 298557753 /nfs/dbraw/zinc/55/77/53/298557753.db2.gz HTHHQTKOFFUVCO-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](CNC(=O)C(=O)NCCN)C[NH+]1CCCCC1 ZINC000419839255 298679291 /nfs/dbraw/zinc/67/92/91/298679291.db2.gz QCNHIXQCRDLNPN-LLVKDONJSA-N 1 3 270.377 -0.701 20 0 CBADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000344665810 298759419 /nfs/dbraw/zinc/75/94/19/298759419.db2.gz MMDFSURWQWSXBA-NEPJUHHUSA-N 1 3 284.404 -0.537 20 0 CBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419243280 300001481 /nfs/dbraw/zinc/00/14/81/300001481.db2.gz SJASDNMORYGTTP-NWDGAFQWSA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@H]1CCN[C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417812533 300004932 /nfs/dbraw/zinc/00/49/32/300004932.db2.gz OLXDRPCIOUIQES-RYUDHWBXSA-N 1 3 254.378 -0.604 20 0 CBADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428639181 300065057 /nfs/dbraw/zinc/06/50/57/300065057.db2.gz DTXXWYOFCDNUQT-STQMWFEESA-N 1 3 268.405 -0.119 20 0 CBADHO C[C@]1(CNC(=O)NC[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000418536144 300800952 /nfs/dbraw/zinc/80/09/52/300800952.db2.gz IKIRTFAGSQYWIR-YPMHNXCESA-N 1 3 270.377 -0.336 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+](CC)CC ZINC000582073417 327831503 /nfs/dbraw/zinc/83/15/03/327831503.db2.gz CYCLILNOYQRRDE-JHJVBQTASA-N 1 3 296.415 -0.123 20 0 CBADHO CC[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+](CC)CC ZINC000582073416 327831627 /nfs/dbraw/zinc/83/16/27/327831627.db2.gz CYCLILNOYQRRDE-FRRDWIJNSA-N 1 3 296.415 -0.123 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000570966271 327967489 /nfs/dbraw/zinc/96/74/89/327967489.db2.gz RTVXPZXXKVJBJD-JQWIXIFHSA-N 1 3 270.377 -0.798 20 0 CBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]CC3)CCN2C1=O ZINC000567368008 328061168 /nfs/dbraw/zinc/06/11/68/328061168.db2.gz JGUWDOWHJSWXMG-JHJVBQTASA-N 1 3 294.399 -0.463 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CCN2C1=O ZINC000563441534 328066413 /nfs/dbraw/zinc/06/64/13/328066413.db2.gz MBYBDMFSBXQIAE-NWDGAFQWSA-N 1 3 292.383 -0.569 20 0 CBADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563457367 328067826 /nfs/dbraw/zinc/06/78/26/328067826.db2.gz KKVZSIOJVHMFHG-ZDUSSCGKSA-N 1 3 283.420 -0.327 20 0 CBADHO CN1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000563599315 328076303 /nfs/dbraw/zinc/07/63/03/328076303.db2.gz VGHWGZTYAKLIJO-CHWSQXEVSA-N 1 3 283.420 -0.340 20 0 CBADHO CCCCN(C)CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563616676 328077077 /nfs/dbraw/zinc/07/70/77/328077077.db2.gz FLEHTYRFADPGFO-UHFFFAOYSA-N 1 3 298.431 -0.050 20 0 CBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000563618880 328077374 /nfs/dbraw/zinc/07/73/74/328077374.db2.gz QMRYDYIQFDLYIT-LLVKDONJSA-N 1 3 282.388 -0.689 20 0 CBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000563618880 328077376 /nfs/dbraw/zinc/07/73/76/328077376.db2.gz QMRYDYIQFDLYIT-LLVKDONJSA-N 1 3 282.388 -0.689 20 0 CBADHO O=C(NC1CNC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000563647493 328081053 /nfs/dbraw/zinc/08/10/53/328081053.db2.gz FLJFTWDUZLETPC-UHFFFAOYSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571283970 328097706 /nfs/dbraw/zinc/09/77/06/328097706.db2.gz JQBTWOURADSYPQ-SDDRHHMPSA-N 1 3 284.404 -0.171 20 0 CBADHO C[C@@H]1NCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H]1C ZINC000571288023 328098334 /nfs/dbraw/zinc/09/83/34/328098334.db2.gz YQNWBHUYRQVJBM-SDDRHHMPSA-N 1 3 292.387 -0.148 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000571315312 328104331 /nfs/dbraw/zinc/10/43/31/328104331.db2.gz FLLQNYNIMCMKAO-OWCLPIDISA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000571315312 328104332 /nfs/dbraw/zinc/10/43/32/328104332.db2.gz FLLQNYNIMCMKAO-OWCLPIDISA-N 1 3 296.459 -0.189 20 0 CBADHO CN1CCN(C[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@H]23)CC1 ZINC000571315312 328104333 /nfs/dbraw/zinc/10/43/33/328104333.db2.gz FLLQNYNIMCMKAO-OWCLPIDISA-N 1 3 296.459 -0.189 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000571401114 328119083 /nfs/dbraw/zinc/11/90/83/328119083.db2.gz POKVQZOVQXLSRH-XPUUQOCRSA-N 1 3 270.358 -0.129 20 0 CBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000571423366 328120847 /nfs/dbraw/zinc/12/08/47/328120847.db2.gz QFPOLLRBLZFSRG-CHWSQXEVSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@@H](CNC(=O)C[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000161095087 328129362 /nfs/dbraw/zinc/12/93/62/328129362.db2.gz DJWGYCOGJSOVGO-NWDGAFQWSA-N 1 3 255.362 -0.035 20 0 CBADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CCOCC2)CCO1 ZINC000571523315 328131378 /nfs/dbraw/zinc/13/13/78/328131378.db2.gz VBDXWVURXUUGBN-KGLIPLIRSA-N 1 3 297.399 -0.184 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000571522589 328131596 /nfs/dbraw/zinc/13/15/96/328131596.db2.gz DOFJQWCUUKIOHV-CBAPKCEASA-N 1 3 280.319 -0.815 20 0 CBADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000571626414 328143059 /nfs/dbraw/zinc/14/30/59/328143059.db2.gz VUCFMVWXHZBAMP-OLZOCXBDSA-N 1 3 281.404 -0.620 20 0 CBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584112047 327009635 /nfs/dbraw/zinc/00/96/35/327009635.db2.gz JUMFUYJZJPWOOP-ZANVPECISA-N 1 3 291.359 -0.848 20 0 CBADHO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000565833627 327031159 /nfs/dbraw/zinc/03/11/59/327031159.db2.gz MIEMMYRUVMLBOO-XQQFMLRXSA-N 1 3 268.405 -0.134 20 0 CBADHO COC(=O)CN(C)C(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000584113897 327040765 /nfs/dbraw/zinc/04/07/65/327040765.db2.gz OZAQLRHZSFYCHH-ZDUSSCGKSA-N 1 3 271.361 -0.275 20 0 CBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000584181223 327061046 /nfs/dbraw/zinc/06/10/46/327061046.db2.gz RYPLNNOLDXLIME-CHWSQXEVSA-N 1 3 287.404 -0.664 20 0 CBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000584181223 327061048 /nfs/dbraw/zinc/06/10/48/327061048.db2.gz RYPLNNOLDXLIME-CHWSQXEVSA-N 1 3 287.404 -0.664 20 0 CBADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000564923127 327149585 /nfs/dbraw/zinc/14/95/85/327149585.db2.gz LAJZHNYSSBAARO-YNEHKIRRSA-N 1 3 287.379 -0.105 20 0 CBADHO CC[C@@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000564930558 327160271 /nfs/dbraw/zinc/16/02/71/327160271.db2.gz RXCGLUBBCLNSTP-LLVKDONJSA-N 1 3 296.375 -0.763 20 0 CBADHO C[NH+](C)CCOCCNC(=O)CNC[C@H]1CCCO1 ZINC000566196228 327163084 /nfs/dbraw/zinc/16/30/84/327163084.db2.gz GAZHAFRIWKBOIK-GFCCVEGCSA-N 1 3 273.377 -0.551 20 0 CBADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000569481231 327184015 /nfs/dbraw/zinc/18/40/15/327184015.db2.gz ARQMSACCSOIBMJ-LLVKDONJSA-N 1 3 285.388 -0.028 20 0 CBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574771946 327376938 /nfs/dbraw/zinc/37/69/38/327376938.db2.gz YRXNSVBUDDZWTM-WOPDTQHZSA-N 1 3 297.403 -0.720 20 0 CBADHO O=C(NC1CNC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000561256818 327380006 /nfs/dbraw/zinc/38/00/06/327380006.db2.gz QGUXOKATPVZGCX-CYBMUJFWSA-N 1 3 294.399 -0.449 20 0 CBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566497209 327399614 /nfs/dbraw/zinc/39/96/14/327399614.db2.gz XZAWKCTVFFXOLV-JHJVBQTASA-N 1 3 294.399 -0.369 20 0 CBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566497209 327399615 /nfs/dbraw/zinc/39/96/15/327399615.db2.gz XZAWKCTVFFXOLV-JHJVBQTASA-N 1 3 294.399 -0.369 20 0 CBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000562689940 327504923 /nfs/dbraw/zinc/50/49/23/327504923.db2.gz ZTHGIGGPQLCFKS-ZDUSSCGKSA-N 1 3 298.431 -0.051 20 0 CBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000572635937 327563381 /nfs/dbraw/zinc/56/33/81/327563381.db2.gz NIPJSVGRBPXXMG-CYBMUJFWSA-N 1 3 296.415 -0.153 20 0 CBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583563497 328612603 /nfs/dbraw/zinc/61/26/03/328612603.db2.gz ATAJCKARQBCWCU-UWVGGRQHSA-N 1 3 293.375 -0.459 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CN1C1CC1 ZINC000582476366 329094747 /nfs/dbraw/zinc/09/47/47/329094747.db2.gz UDESODIIRFSHDQ-DYEKYZERSA-N 1 3 295.431 -0.186 20 0 CBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582737622 329134266 /nfs/dbraw/zinc/13/42/66/329134266.db2.gz OUYSEUBNJUXBIG-NSHDSACASA-N 1 3 282.388 -0.689 20 0 CBADHO C[NH+](C)CCCN1C(=O)C[C@H](NCCn2cccn2)C1=O ZINC000582854070 329280672 /nfs/dbraw/zinc/28/06/72/329280672.db2.gz QHMOQZDXLNCTRR-LBPRGKRZSA-N 1 3 293.371 -0.448 20 0 CBADHO CN1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000582894791 329282248 /nfs/dbraw/zinc/28/22/48/329282248.db2.gz POCXMSLSSWLTAH-GHMZBOCLSA-N 1 3 255.366 -0.977 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000582965808 329294891 /nfs/dbraw/zinc/29/48/91/329294891.db2.gz ZQCIKIIIZLIQCA-VIFPVBQESA-N 1 3 257.334 -0.393 20 0 CBADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000583015072 329302778 /nfs/dbraw/zinc/30/27/78/329302778.db2.gz MSCBDZAFHLFMIY-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000583015072 329302780 /nfs/dbraw/zinc/30/27/80/329302780.db2.gz MSCBDZAFHLFMIY-LLVKDONJSA-N 1 3 282.388 -0.735 20 0 CBADHO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)N(C)C1CC1 ZINC000583132922 329319023 /nfs/dbraw/zinc/31/90/23/329319023.db2.gz KJPUDSQMWAAMSG-WCQYABFASA-N 1 3 283.420 -0.328 20 0 CBADHO COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000564086420 329668861 /nfs/dbraw/zinc/66/88/61/329668861.db2.gz YPOXEZZGFYOCTF-NXEZZACHSA-N 1 3 257.334 -0.393 20 0 CBADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000575763500 335113434 /nfs/dbraw/zinc/11/34/34/335113434.db2.gz VYUIRUOMNXIYRL-NWDGAFQWSA-N 1 3 270.377 -0.242 20 0 CBADHO [NH3+][C@@H]1CCc2ncc(NC(=O)COC3CNC3)cc2C1 ZINC000575869655 335126539 /nfs/dbraw/zinc/12/65/39/335126539.db2.gz GHZFZFJKAQZXPZ-SNVBAGLBSA-N 1 3 276.340 -0.176 20 0 CBADHO C[NH2+]C[C@@H]1CCN(CCC(=O)N(C)CC(=O)OC)C1 ZINC000572523673 333185087 /nfs/dbraw/zinc/18/50/87/333185087.db2.gz JWEFFJUGFUMEHU-NSHDSACASA-N 1 3 271.361 -0.451 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575921211 335131245 /nfs/dbraw/zinc/13/12/45/335131245.db2.gz LDWTYJKWHRPGAA-GRYCIOLGSA-N 1 3 253.346 -0.282 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@@H](CO)CN1CCCCC1)C1CC1 ZINC000575988186 335138805 /nfs/dbraw/zinc/13/88/05/335138805.db2.gz AIPGDFRWJDEULA-UKRRQHHQSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@@H](CO)CN1CCCCC1)C1CC1 ZINC000575988186 335138807 /nfs/dbraw/zinc/13/88/07/335138807.db2.gz AIPGDFRWJDEULA-UKRRQHHQSA-N 1 3 285.432 -0.122 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000576157918 335162062 /nfs/dbraw/zinc/16/20/62/335162062.db2.gz WGCLTCRECBHQRP-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO CCCN(C(=O)C[C@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000576225444 335173479 /nfs/dbraw/zinc/17/34/79/335173479.db2.gz MBUGDOALIIHENO-NEPJUHHUSA-N 1 3 255.362 -0.035 20 0 CBADHO CN(C)CCN1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000564319623 334085595 /nfs/dbraw/zinc/08/55/95/334085595.db2.gz JPWWEDFLDXFNRZ-HNNXBMFYSA-N 1 3 295.431 -0.140 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(C(=O)NC)C1 ZINC000564341241 334141506 /nfs/dbraw/zinc/14/15/06/334141506.db2.gz AAYFKRKLEDECJO-WCQYABFASA-N 1 3 257.378 -0.243 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(C(=O)NC)C1 ZINC000564341241 334141508 /nfs/dbraw/zinc/14/15/08/334141508.db2.gz AAYFKRKLEDECJO-WCQYABFASA-N 1 3 257.378 -0.243 20 0 CBADHO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCNCC1 ZINC000564932918 334528957 /nfs/dbraw/zinc/52/89/57/334528957.db2.gz AHFZJXZUFPVUFL-QWHCGFSZSA-N 1 3 280.416 -0.262 20 0 CBADHO CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000564932917 334529163 /nfs/dbraw/zinc/52/91/63/334529163.db2.gz AHFZJXZUFPVUFL-OLZOCXBDSA-N 1 3 280.416 -0.262 20 0 CBADHO CCS(=O)(=O)NCCCNC[C@]1(C)CC[NH2+]C1 ZINC000564971265 334531430 /nfs/dbraw/zinc/53/14/30/334531430.db2.gz UKPAUFGJOODCJL-NSHDSACASA-N 1 3 263.407 -0.095 20 0 CBADHO C[C@H](C[NH3+])NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000564950356 334530118 /nfs/dbraw/zinc/53/01/18/334530118.db2.gz SMZZHJRFDQLRGC-VWMGYNLJSA-N 1 3 255.362 -0.018 20 0 CBADHO CN(C)CCN1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000566121150 334625440 /nfs/dbraw/zinc/62/54/40/334625440.db2.gz YLGXHDITYCGSOM-UHFFFAOYSA-N 1 3 285.392 -0.813 20 0 CBADHO C[C@@]1(CNC[C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000566229755 334637040 /nfs/dbraw/zinc/63/70/40/334637040.db2.gz MOAPDUFBLZMQRC-VXGBXAGGSA-N 1 3 275.418 -0.143 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566246862 334638610 /nfs/dbraw/zinc/63/86/10/334638610.db2.gz JBIJLWMCRFVFOR-CABZTGNLSA-N 1 3 259.350 -0.244 20 0 CBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000566572191 334656006 /nfs/dbraw/zinc/65/60/06/334656006.db2.gz AHIIZLSDSJAQEN-GRYCIOLGSA-N 1 3 295.387 -0.918 20 0 CBADHO CN(C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CC[NH2+]C1 ZINC000566796827 334664544 /nfs/dbraw/zinc/66/45/44/334664544.db2.gz OFXAYTQIUADPKP-NEPJUHHUSA-N 1 3 254.378 -0.523 20 0 CBADHO O=C(CCOC1CNC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000567350360 334707123 /nfs/dbraw/zinc/70/71/23/334707123.db2.gz BZKCXIXECGDDCU-AWEZNQCLSA-N 1 3 267.373 -0.033 20 0 CBADHO CN1CCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](CN)C1 ZINC000567732143 334756518 /nfs/dbraw/zinc/75/65/18/334756518.db2.gz UPLNVFAHLPEIKY-ZDUSSCGKSA-N 1 3 262.357 -0.140 20 0 CBADHO CN(C)C[C@@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000567822831 334764865 /nfs/dbraw/zinc/76/48/65/334764865.db2.gz YOKFHXYAAQLQTL-NSHDSACASA-N 1 3 280.376 -0.207 20 0 CBADHO C[NH+](C)[C@@H]1CCCN(C(=O)COC2CNC2)CC1 ZINC000567825566 334765144 /nfs/dbraw/zinc/76/51/44/334765144.db2.gz RIJIYJRWEXXXKV-LLVKDONJSA-N 1 3 255.362 -0.083 20 0 CBADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CCC(=O)OC ZINC000568513261 334828265 /nfs/dbraw/zinc/82/82/65/334828265.db2.gz QQQAOSASSWHXEL-VIFPVBQESA-N 1 3 259.350 -0.099 20 0 CBADHO [NH3+]C[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCCO1 ZINC000573119334 334909974 /nfs/dbraw/zinc/90/99/74/334909974.db2.gz OILDNEXSXPVGBM-RYUDHWBXSA-N 1 3 271.361 -0.669 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)CN1 ZINC000576374237 335196083 /nfs/dbraw/zinc/19/60/83/335196083.db2.gz VNCDZBKVDQYTKA-IJLUTSLNSA-N 1 3 269.393 -0.718 20 0 CBADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)CN1 ZINC000576374236 335196137 /nfs/dbraw/zinc/19/61/37/335196137.db2.gz VNCDZBKVDQYTKA-GRYCIOLGSA-N 1 3 269.393 -0.718 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(F)(F)CN ZINC000580540852 335204013 /nfs/dbraw/zinc/20/40/13/335204013.db2.gz XIUPDYPBJJNUKB-UHFFFAOYSA-N 1 3 295.378 -0.285 20 0 CBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000576574361 335220358 /nfs/dbraw/zinc/22/03/58/335220358.db2.gz CMNPOKWMINEIMY-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000576574361 335220360 /nfs/dbraw/zinc/22/03/60/335220360.db2.gz CMNPOKWMINEIMY-CABCVRRESA-N 1 3 285.432 -0.047 20 0 CBADHO CCN1CCN(CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000576582381 335221993 /nfs/dbraw/zinc/22/19/93/335221993.db2.gz YGPDIIVTVUKDOA-UHFFFAOYSA-N 1 3 268.405 -0.131 20 0 CBADHO CN(C[C@H](O)C[NH2+][C@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583835 335222127 /nfs/dbraw/zinc/22/21/27/335222127.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583835 335222129 /nfs/dbraw/zinc/22/21/29/335222129.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583835 335222131 /nfs/dbraw/zinc/22/21/31/335222131.db2.gz FDSLCEYHOFJPKS-DZGCQCFKSA-N 1 3 285.432 -0.122 20 0 CBADHO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583838 335222174 /nfs/dbraw/zinc/22/21/74/335222174.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@H+](C[C@H](O)CN[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583838 335222176 /nfs/dbraw/zinc/22/21/76/335222176.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 1 3 285.432 -0.122 20 0 CBADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000576583838 335222177 /nfs/dbraw/zinc/22/21/77/335222177.db2.gz FDSLCEYHOFJPKS-UKRRQHHQSA-N 1 3 285.432 -0.122 20 0 CBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000576943369 335267284 /nfs/dbraw/zinc/26/72/84/335267284.db2.gz FILREGIJNKYZPG-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CNC(=O)CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000577073495 335295742 /nfs/dbraw/zinc/29/57/42/335295742.db2.gz SHPMPXRBXQXYKS-UHFFFAOYSA-N 1 3 298.431 -0.098 20 0 CBADHO CC1(C)CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCN1 ZINC000577372889 335344194 /nfs/dbraw/zinc/34/41/94/335344194.db2.gz YCQQLCLVWMFKCC-LLVKDONJSA-N 1 3 292.387 -0.146 20 0 CBADHO C[N@H+](CCCNC(=O)C(=O)NC1CNC1)C1CCCCC1 ZINC000577714009 335391463 /nfs/dbraw/zinc/39/14/63/335391463.db2.gz VTTGHNSGUQCVAN-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO C[N@@H+](CCCNC(=O)C(=O)NC1CNC1)C1CCCCC1 ZINC000577714009 335391464 /nfs/dbraw/zinc/39/14/64/335391464.db2.gz VTTGHNSGUQCVAN-UHFFFAOYSA-N 1 3 296.415 -0.155 20 0 CBADHO CCN1CCN(CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000577745816 335396150 /nfs/dbraw/zinc/39/61/50/335396150.db2.gz WKJLUUWMLVQISQ-UHFFFAOYSA-N 1 3 268.405 -0.118 20 0 CBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000577751529 335397379 /nfs/dbraw/zinc/39/73/79/335397379.db2.gz JIZWKRPQLUUPGZ-TUAOUCFPSA-N 1 3 284.404 -0.219 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000578352324 335618029 /nfs/dbraw/zinc/61/80/29/335618029.db2.gz SJVJDNMYVFAEQL-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000578507464 335642601 /nfs/dbraw/zinc/64/26/01/335642601.db2.gz RUFWTDCDQAOMBM-MNOVXSKESA-N 1 3 296.415 -0.029 20 0 CBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000579110583 335710381 /nfs/dbraw/zinc/71/03/81/335710381.db2.gz BWGIBUDCWONTGS-YIZRAAEISA-N 1 3 263.288 -0.523 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580775399 335965380 /nfs/dbraw/zinc/96/53/80/335965380.db2.gz VECCSQXSUOERQQ-GVXVVHGQSA-N 1 3 282.388 -0.704 20 0 CBADHO CCN1CCC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000581061072 336001986 /nfs/dbraw/zinc/00/19/86/336001986.db2.gz FKUMGDXYBANNLH-WYUUTHIRSA-N 1 3 252.362 -0.012 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CCCN(C(=O)CN)C1 ZINC000581191309 336022087 /nfs/dbraw/zinc/02/20/87/336022087.db2.gz WAWQGOVTUNRAMW-XQQFMLRXSA-N 1 3 268.405 -0.134 20 0 CBADHO O=C(COC1CNC1)NCC1CC[NH+](C2CC2)CC1 ZINC000581249424 336031811 /nfs/dbraw/zinc/03/18/11/336031811.db2.gz BJYLNFIVLSNLCJ-UHFFFAOYSA-N 1 3 267.373 -0.035 20 0 CBADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581419224 336073778 /nfs/dbraw/zinc/07/37/78/336073778.db2.gz OXEKLGNNRZACJK-KXUCPTDWSA-N 1 3 274.315 -0.013 20 0 CBADHO O=C(CNC1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581427992 336075754 /nfs/dbraw/zinc/07/57/54/336075754.db2.gz XZSYKSSQSAOJMR-GFCCVEGCSA-N 1 3 252.362 -0.756 20 0 CBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357234545 535713807 /nfs/dbraw/zinc/71/38/07/535713807.db2.gz AYHOHZSPBSORAF-OLZOCXBDSA-N 1 3 270.421 -0.029 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1=NN(C)C(=O)CC1 ZINC000103211061 582112857 /nfs/dbraw/zinc/11/28/57/582112857.db2.gz HAAGJTCABZNCOS-UHFFFAOYSA-N 1 3 297.403 -0.454 20 0 CBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc[n+]([O-])c1 ZINC000104190652 582113302 /nfs/dbraw/zinc/11/33/02/582113302.db2.gz OTSVJOLZSFNOIA-UHFFFAOYSA-N 1 3 280.372 -0.115 20 0 CBADHO CC[C@@H](CO)NCC(=O)NC1CC[NH+](CC)CC1 ZINC000754247551 582298881 /nfs/dbraw/zinc/29/88/81/582298881.db2.gz QDKODNZTIDHWMT-NSHDSACASA-N 1 3 257.378 -0.053 20 0 CBADHO CC[C@H](CO)NCC(=O)NC1CC[NH+](CC)CC1 ZINC000754247540 582298914 /nfs/dbraw/zinc/29/89/14/582298914.db2.gz QDKODNZTIDHWMT-LLVKDONJSA-N 1 3 257.378 -0.053 20 0 CBADHO NC(=O)C[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000754498524 582299510 /nfs/dbraw/zinc/29/95/10/582299510.db2.gz LQGPGWUIOUGNBG-KBPBESRZSA-N 1 3 299.415 -0.297 20 0 CBADHO CN(CCN(C)[C@H]1CCC(=O)NC1=O)C1CC[NH+](C)CC1 ZINC000799147479 582418630 /nfs/dbraw/zinc/41/86/30/582418630.db2.gz MOJOBJHALMLQTA-ZDUSSCGKSA-N 1 3 296.415 -0.251 20 0 CBADHO CCn1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000815439645 582465633 /nfs/dbraw/zinc/46/56/33/582465633.db2.gz ZFKNXDOZDJZFGC-UHFFFAOYSA-N 1 3 282.392 -0.137 20 0 CBADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@H]1CCN1 ZINC000818583505 582512192 /nfs/dbraw/zinc/51/21/92/582512192.db2.gz YFABFVHFWYJJQZ-LLVKDONJSA-N 1 3 262.313 -0.325 20 0 CBADHO Cn1ncc(CCCNC[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000819331079 582532308 /nfs/dbraw/zinc/53/23/08/582532308.db2.gz JQRNZOPZSVTXTG-CYBMUJFWSA-N 1 3 267.377 -0.208 20 0 CBADHO Cn1ncc(CCCNC[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000819331079 582532311 /nfs/dbraw/zinc/53/23/11/582532311.db2.gz JQRNZOPZSVTXTG-CYBMUJFWSA-N 1 3 267.377 -0.208 20 0 CBADHO CN1CCN(CCCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000827004560 582797086 /nfs/dbraw/zinc/79/70/86/582797086.db2.gz KXJPEVPOTBEUDX-AWEZNQCLSA-N 1 3 286.395 -0.168 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000828956273 582878975 /nfs/dbraw/zinc/87/89/75/582878975.db2.gz LFLQEMUKESXJKC-RYUDHWBXSA-N 1 3 255.362 -0.049 20 0 CBADHO COCCN1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000828956272 582879015 /nfs/dbraw/zinc/87/90/15/582879015.db2.gz LFLQEMUKESXJKC-NWDGAFQWSA-N 1 3 255.362 -0.049 20 0 CBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000829716116 582895984 /nfs/dbraw/zinc/89/59/84/582895984.db2.gz VQESVUOEVMMDIB-HIFRSBDPSA-N 1 3 298.406 -0.074 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CCC1CC[NH2+]CC1 ZINC000830391598 582931877 /nfs/dbraw/zinc/93/18/77/582931877.db2.gz HYCDAURMMZZTQW-VIFPVBQESA-N 1 3 275.374 -0.217 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CC1CC[NH2+]CC1 ZINC000830391275 582931910 /nfs/dbraw/zinc/93/19/10/582931910.db2.gz DLEZJLHVSDMOPX-QMMMGPOBSA-N 1 3 261.347 -0.607 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000830392159 582931925 /nfs/dbraw/zinc/93/19/25/582931925.db2.gz YYBOLGCQHWEDRC-RKDXNWHRSA-N 1 3 261.347 -0.607 20 0 CBADHO CC1C(=O)N(C)S(=O)(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000830392156 582932144 /nfs/dbraw/zinc/93/21/44/582932144.db2.gz YYBOLGCQHWEDRC-BDAKNGLRSA-N 1 3 261.347 -0.607 20 0 CBADHO C[C@]1(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000831031367 582950833 /nfs/dbraw/zinc/95/08/33/582950833.db2.gz OJTOBBMSBKNHAB-SCRDCRAPSA-N 1 3 282.388 -0.099 20 0 CBADHO C[C@]1(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]C1 ZINC000831031365 582950873 /nfs/dbraw/zinc/95/08/73/582950873.db2.gz OJTOBBMSBKNHAB-OBJOEFQTSA-N 1 3 282.388 -0.099 20 0 CBADHO O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@]1(F)CCNC1 ZINC000831644202 582991975 /nfs/dbraw/zinc/99/19/75/582991975.db2.gz QQOUOPNQUYWFGJ-AAEUAGOBSA-N 1 3 270.352 -0.806 20 0 CBADHO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@]1(F)CCNC1 ZINC000831644203 582991984 /nfs/dbraw/zinc/99/19/84/582991984.db2.gz QQOUOPNQUYWFGJ-DGCLKSJQSA-N 1 3 270.352 -0.806 20 0 CBADHO CCN1CCN(CCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000831822642 583004145 /nfs/dbraw/zinc/00/41/45/583004145.db2.gz JYSARUDFPUBLCT-CYBMUJFWSA-N 1 3 268.405 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971336 583009336 /nfs/dbraw/zinc/00/93/36/583009336.db2.gz VJMODBRMISEUCI-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971336 583009338 /nfs/dbraw/zinc/00/93/38/583009338.db2.gz VJMODBRMISEUCI-QWRGUYRKSA-N 1 3 271.361 -0.133 20 0 CBADHO COCC[NH2+]CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000834408949 583122306 /nfs/dbraw/zinc/12/23/06/583122306.db2.gz YKZYIIGYFJUHDB-UHFFFAOYSA-N 1 3 267.333 -0.979 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834447962 583123373 /nfs/dbraw/zinc/12/33/73/583123373.db2.gz GZSLAPLJEZKUMC-GFCCVEGCSA-N 1 3 267.373 -0.033 20 0 CBADHO C[C@@H](CCC[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000834813742 583136846 /nfs/dbraw/zinc/13/68/46/583136846.db2.gz VTVOIUNNOCVPHV-QMMMGPOBSA-N 1 3 251.334 -0.087 20 0 CBADHO CN(C)CCNC(=S)NC[C@H]1CCC[N@@H+]1CCCO ZINC000840778906 583167551 /nfs/dbraw/zinc/16/75/51/583167551.db2.gz HFKHLVGTURBFPM-GFCCVEGCSA-N 1 3 288.461 -0.141 20 0 CBADHO CN(C)CCNC(=S)NC[C@H]1CCC[N@H+]1CCCO ZINC000840778906 583167553 /nfs/dbraw/zinc/16/75/53/583167553.db2.gz HFKHLVGTURBFPM-GFCCVEGCSA-N 1 3 288.461 -0.141 20 0 CBADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841789762 583174116 /nfs/dbraw/zinc/17/41/16/583174116.db2.gz QMHPBRZLJZUHGS-TUAOUCFPSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000841849251 583174838 /nfs/dbraw/zinc/17/48/38/583174838.db2.gz FHPYYBBJFNOJRZ-GRYCIOLGSA-N 1 3 255.362 -0.036 20 0 CBADHO CC1(C)CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCN1 ZINC000841854974 583175299 /nfs/dbraw/zinc/17/52/99/583175299.db2.gz DBUBFZLIZFKGCK-NSHDSACASA-N 1 3 255.362 -0.035 20 0 CBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCCCC1 ZINC000842014295 583177696 /nfs/dbraw/zinc/17/76/96/583177696.db2.gz BUWQELYUHKIDIL-NEPJUHHUSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCCCC1 ZINC000842014239 583177852 /nfs/dbraw/zinc/17/78/52/583177852.db2.gz ATQAXNBRRXCODT-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016901 583178000 /nfs/dbraw/zinc/17/80/00/583178000.db2.gz ZBDUIUAVNKYOPZ-RYUDHWBXSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016917 583178105 /nfs/dbraw/zinc/17/81/05/583178105.db2.gz ZNZLGMSLSUUCQB-RYUDHWBXSA-N 1 3 282.388 -0.545 20 0 CBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016897 583178153 /nfs/dbraw/zinc/17/81/53/583178153.db2.gz ZBDUIUAVNKYOPZ-NEPJUHHUSA-N 1 3 284.404 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCCCC1 ZINC000842015247 583178187 /nfs/dbraw/zinc/17/81/87/583178187.db2.gz JFVMYUZPNLQUPS-WCQYABFASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)N1CCCCC1 ZINC000842016431 583178265 /nfs/dbraw/zinc/17/82/65/583178265.db2.gz VINWRPCNPYLOHN-ZDUSSCGKSA-N 1 3 296.415 -0.201 20 0 CBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512198 583184745 /nfs/dbraw/zinc/18/47/45/583184745.db2.gz IGFJMCHTQALCKA-DGCLKSJQSA-N 1 3 253.346 -0.281 20 0 CBADHO CN1CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843259708 583205046 /nfs/dbraw/zinc/20/50/46/583205046.db2.gz QXZWDACVJWOSJM-UHFFFAOYSA-N 1 3 284.404 -0.168 20 0 CBADHO CCNCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843486221 583227232 /nfs/dbraw/zinc/22/72/32/583227232.db2.gz ZNFRXYYCQKIRRD-YPMHNXCESA-N 1 3 255.362 -0.049 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843500870 583231214 /nfs/dbraw/zinc/23/12/14/583231214.db2.gz BOWMVJTVSBUZSK-JSGCOSHPSA-N 1 3 282.388 -0.560 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844181271 583258305 /nfs/dbraw/zinc/25/83/05/583258305.db2.gz WYNYVKGFQBZHGF-FHUSYTEZSA-N 1 3 265.357 -0.569 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181466 583258486 /nfs/dbraw/zinc/25/84/86/583258486.db2.gz RFFJPMUEUBNULD-KBPBESRZSA-N 1 3 299.415 -0.018 20 0 CBADHO CC[NH2+]CC(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000844190909 583260100 /nfs/dbraw/zinc/26/01/00/583260100.db2.gz FNZQTOBMZMXPDH-LBPRGKRZSA-N 1 3 256.394 -0.262 20 0 CBADHO CN(CCCCCC[NH3+])CCNS(C)(=O)=O ZINC000846218615 583355502 /nfs/dbraw/zinc/35/55/02/583355502.db2.gz TXHPIERYCWVPBC-UHFFFAOYSA-N 1 3 251.396 -0.014 20 0 CBADHO C[C@@H]1CCCN1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846716608 583385619 /nfs/dbraw/zinc/38/56/19/583385619.db2.gz DFCVWIHDOANTRO-NEPJUHHUSA-N 1 3 256.394 -0.134 20 0 CBADHO C[NH+](C)CCCNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650962 583453695 /nfs/dbraw/zinc/45/36/95/583453695.db2.gz WKPOZJZKHZAGDO-NWDGAFQWSA-N 1 3 286.445 -0.437 20 0 CBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048489 583471918 /nfs/dbraw/zinc/47/19/18/583471918.db2.gz IBLPEEWBORERPV-AAEUAGOBSA-N 1 3 272.393 -0.018 20 0 CBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NCC12CC(C1)C[NH2+]2 ZINC000851657088 583518201 /nfs/dbraw/zinc/51/82/01/583518201.db2.gz UVMCONLIPFGPSZ-ICRTXTNUSA-N 1 3 294.399 -0.099 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])N1CCCCC1 ZINC000851687586 583521631 /nfs/dbraw/zinc/52/16/31/583521631.db2.gz VVEYWWSQEGAHOV-LBPRGKRZSA-N 1 3 284.404 -0.216 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000851689371 583521874 /nfs/dbraw/zinc/52/18/74/583521874.db2.gz NTJRVMNONSAZDV-RYUDHWBXSA-N 1 3 284.404 -0.314 20 0 CBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000851689424 583521910 /nfs/dbraw/zinc/52/19/10/583521910.db2.gz OXYUBMGHTAHWCQ-UWVGGRQHSA-N 1 3 270.377 -0.561 20 0 CBADHO COc1ccccc1[C@@H](N)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852791747 583552726 /nfs/dbraw/zinc/55/27/26/583552726.db2.gz LQJLIELXIDEJLQ-KOLCDFICSA-N 1 3 292.339 -0.085 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])=NO1 ZINC000852797722 583553278 /nfs/dbraw/zinc/55/32/78/583553278.db2.gz ACDGPZJOQRMDGW-LPEHRKFASA-N 1 3 254.334 -0.276 20 0 CBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852799802 583553315 /nfs/dbraw/zinc/55/33/15/583553315.db2.gz XDCLXXSIFQRIGK-ZJUUUORDSA-N 1 3 256.350 -0.078 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852798965 583553327 /nfs/dbraw/zinc/55/33/27/583553327.db2.gz PNKMXYXTXUOHEW-IVZWLZJFSA-N 1 3 254.334 -0.324 20 0 CBADHO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)C[C@H](C)N1 ZINC000852824682 583556395 /nfs/dbraw/zinc/55/63/95/583556395.db2.gz DWVJZXZTNPBJRH-GRYCIOLGSA-N 1 3 267.373 -0.036 20 0 CBADHO NC[C@H]1CC(C(=O)NC2CC[NH+](C3CC3)CC2)=NO1 ZINC000852857245 583561870 /nfs/dbraw/zinc/56/18/70/583561870.db2.gz NBYPVIUXGNCQPC-LLVKDONJSA-N 1 3 266.345 -0.167 20 0 CBADHO CC[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852860132 583562084 /nfs/dbraw/zinc/56/20/84/583562084.db2.gz KXMRKYBHEFZYPE-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO CC[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852860132 583562085 /nfs/dbraw/zinc/56/20/85/583562085.db2.gz KXMRKYBHEFZYPE-VHSXEESVSA-N 1 3 254.334 -0.452 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859321 583562155 /nfs/dbraw/zinc/56/21/55/583562155.db2.gz RMCQVMPKXMNIKC-MXWKQRLJSA-N 1 3 266.345 -0.167 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)=NO1 ZINC000852859321 583562156 /nfs/dbraw/zinc/56/21/56/583562156.db2.gz RMCQVMPKXMNIKC-MXWKQRLJSA-N 1 3 266.345 -0.167 20 0 CBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852860627 583562389 /nfs/dbraw/zinc/56/23/89/583562389.db2.gz TUPNWJWOZSSAMT-GHMZBOCLSA-N 1 3 268.361 -0.110 20 0 CBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852860627 583562391 /nfs/dbraw/zinc/56/23/91/583562391.db2.gz TUPNWJWOZSSAMT-GHMZBOCLSA-N 1 3 268.361 -0.110 20 0 CBADHO COCC[N@H+](C)CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852860650 583562405 /nfs/dbraw/zinc/56/24/05/583562405.db2.gz TZJJQNMCPFWQAH-SNVBAGLBSA-N 1 3 272.349 -0.826 20 0 CBADHO COCC[N@@H+](C)CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852860650 583562407 /nfs/dbraw/zinc/56/24/07/583562407.db2.gz TZJJQNMCPFWQAH-SNVBAGLBSA-N 1 3 272.349 -0.826 20 0 CBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852861781 583562882 /nfs/dbraw/zinc/56/28/82/583562882.db2.gz JPDWONYSXHDOIV-NXEZZACHSA-N 1 3 256.350 -0.064 20 0 CBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852864695 583563604 /nfs/dbraw/zinc/56/36/04/583563604.db2.gz FCQABKSCWWKLNR-ZJUUUORDSA-N 1 3 256.350 -0.064 20 0 CBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852864695 583563606 /nfs/dbraw/zinc/56/36/06/583563606.db2.gz FCQABKSCWWKLNR-ZJUUUORDSA-N 1 3 256.350 -0.064 20 0 CBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852864694 583563624 /nfs/dbraw/zinc/56/36/24/583563624.db2.gz FCQABKSCWWKLNR-VHSXEESVSA-N 1 3 256.350 -0.064 20 0 CBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852864694 583563627 /nfs/dbraw/zinc/56/36/27/583563627.db2.gz FCQABKSCWWKLNR-VHSXEESVSA-N 1 3 256.350 -0.064 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)=NO1 ZINC000852864319 583563675 /nfs/dbraw/zinc/56/36/75/583563675.db2.gz SAGGFTDLMNKIMD-DCAQKATOSA-N 1 3 282.344 -0.931 20 0 CBADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)=NO1 ZINC000852864320 583563726 /nfs/dbraw/zinc/56/37/26/583563726.db2.gz SAGGFTDLMNKIMD-GARJFASQSA-N 1 3 282.344 -0.931 20 0 CBADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000852865415 583563903 /nfs/dbraw/zinc/56/39/03/583563903.db2.gz BVAVKELATLHRIE-GHMZBOCLSA-N 1 3 266.345 -0.215 20 0 CBADHO COCCN1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865149 583564174 /nfs/dbraw/zinc/56/41/74/583564174.db2.gz SLMFQYRLPVWQME-QWRGUYRKSA-N 1 3 284.360 -0.683 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@@H+]1C ZINC000852868819 583564822 /nfs/dbraw/zinc/56/48/22/583564822.db2.gz VKXHEEYWWGLGEI-OPRDCNLKSA-N 1 3 254.334 -0.311 20 0 CBADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@H+]1C ZINC000852868819 583564824 /nfs/dbraw/zinc/56/48/24/583564824.db2.gz VKXHEEYWWGLGEI-OPRDCNLKSA-N 1 3 254.334 -0.311 20 0 CBADHO C[NH+](C)C1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852873893 583565562 /nfs/dbraw/zinc/56/55/62/583565562.db2.gz HGJVNRUNUNLKKZ-JTQLQIEISA-N 1 3 254.334 -0.357 20 0 CBADHO NC[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)=NO1 ZINC000852875359 583565767 /nfs/dbraw/zinc/56/57/67/583565767.db2.gz IUAPXNRQQPYDLS-MMWGEVLESA-N 1 3 266.345 -0.324 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)=NO1 ZINC000852875937 583566244 /nfs/dbraw/zinc/56/62/44/583566244.db2.gz UCLAXHLHXXJKFK-JOYOIKCWSA-N 1 3 252.318 -0.698 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@H](CC[NH3+])C(F)F)=NO1 ZINC000852882014 583567082 /nfs/dbraw/zinc/56/70/82/583567082.db2.gz VRWMIJACRLZGFD-NTSWFWBYSA-N 1 3 250.249 -0.811 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)=NO1 ZINC000852882032 583567143 /nfs/dbraw/zinc/56/71/43/583567143.db2.gz WJVNMICUFXAHNC-AXFHLTTASA-N 1 3 266.345 -0.452 20 0 CBADHO NC[C@@H]1CC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)=NO1 ZINC000852882507 583567481 /nfs/dbraw/zinc/56/74/81/583567481.db2.gz JCNDXRXYWBZZCK-LOWVWBTDSA-N 1 3 296.371 -0.555 20 0 CBADHO C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@@H](CN)C2)C[C@@H]1C[NH3+] ZINC000852892580 583570400 /nfs/dbraw/zinc/57/04/00/583570400.db2.gz IDCPNABABOAERO-VPOLOUISSA-N 1 3 268.361 -0.078 20 0 CBADHO C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)[C@H](C[NH3+])C1 ZINC000852912515 583573813 /nfs/dbraw/zinc/57/38/13/583573813.db2.gz SFAUPXQBNHCWEJ-UTLUCORTSA-N 1 3 254.334 -0.324 20 0 CBADHO COC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346279 583636514 /nfs/dbraw/zinc/63/65/14/583636514.db2.gz VDCKFHAFADLTRJ-NSHDSACASA-N 1 3 288.392 -0.269 20 0 CBADHO COC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346279 583636515 /nfs/dbraw/zinc/63/65/15/583636515.db2.gz VDCKFHAFADLTRJ-NSHDSACASA-N 1 3 288.392 -0.269 20 0 CBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1C=O ZINC000855345438 583636564 /nfs/dbraw/zinc/63/65/64/583636564.db2.gz AJOWSSLDWVODES-KBPBESRZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1C=O ZINC000855345438 583636566 /nfs/dbraw/zinc/63/65/66/583636566.db2.gz AJOWSSLDWVODES-KBPBESRZSA-N 1 3 298.431 -0.005 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000857102651 583664378 /nfs/dbraw/zinc/66/43/78/583664378.db2.gz ITNAMNFNJNQMGO-SRVKXCTJSA-N 1 3 270.377 -0.114 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000857113116 583665664 /nfs/dbraw/zinc/66/56/64/583665664.db2.gz XYHNQCYAVFURNP-JTQLQIEISA-N 1 3 258.366 -0.520 20 0 CBADHO C[C@H]([NH3+])CCNC(=O)NCCNc1ccncc1 ZINC000857113189 583665702 /nfs/dbraw/zinc/66/57/02/583665702.db2.gz PAJOOLVKIWZACP-JTQLQIEISA-N 1 3 251.334 -0.048 20 0 CBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861574835 583771370 /nfs/dbraw/zinc/77/13/70/583771370.db2.gz ZAXZNNXLVFMLGE-WUHRBBMRSA-N 1 3 282.388 -0.101 20 0 CBADHO C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000861592580 583771973 /nfs/dbraw/zinc/77/19/73/583771973.db2.gz NRUBCQVILHDEJF-OLZOCXBDSA-N 1 3 285.436 -0.142 20 0 CBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CCCCC1 ZINC000861729629 583781649 /nfs/dbraw/zinc/78/16/49/583781649.db2.gz XDAACCHFZZNPPX-RWMBFGLXSA-N 1 3 296.415 -0.156 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000861728993 583781681 /nfs/dbraw/zinc/78/16/81/583781681.db2.gz NLPQRWXBUVOHHP-RYUDHWBXSA-N 1 3 284.404 -0.217 20 0 CBADHO CCN1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861732135 583782140 /nfs/dbraw/zinc/78/21/40/583782140.db2.gz HUKBKDVBGVFBOT-JTQLQIEISA-N 1 3 270.377 -0.608 20 0 CBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000861756644 583784502 /nfs/dbraw/zinc/78/45/02/583784502.db2.gz FMEQHWTYRSFWHZ-NWDGAFQWSA-N 1 3 284.404 -0.360 20 0 CBADHO C[NH+]1CCC(NC(=S)NCCN2CC[C@@H](O)C2)CC1 ZINC000863235601 583835163 /nfs/dbraw/zinc/83/51/63/583835163.db2.gz AUVLZQFSHKZPFO-GFCCVEGCSA-N 1 3 286.445 -0.389 20 0 CBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000863751666 583852583 /nfs/dbraw/zinc/85/25/83/583852583.db2.gz NCYDJHXZRMAAEM-WDEREUQCSA-N 1 3 270.377 -0.655 20 0 CBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863769079 583855554 /nfs/dbraw/zinc/85/55/54/583855554.db2.gz JBVMOYFVDVWIQH-NEPJUHHUSA-N 1 3 284.404 -0.267 20 0 CBADHO COCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708055 583927788 /nfs/dbraw/zinc/92/77/88/583927788.db2.gz MORWCCWIMYIQJW-MXWKQRLJSA-N 1 3 255.318 -0.500 20 0 CBADHO O=C1NCCO[C@@H]2CCCN(CC[C@H]3CC[NH2+]C3)[C@H]12 ZINC000866717908 583928612 /nfs/dbraw/zinc/92/86/12/583928612.db2.gz TZTTZYAGNZOKRU-UPJWGTAASA-N 1 3 267.373 -0.035 20 0 CBADHO CN(C)CCCS(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000866737419 583929685 /nfs/dbraw/zinc/92/96/85/583929685.db2.gz DSQHDHBDENRIBG-LLVKDONJSA-N 1 3 263.407 -0.061 20 0 CBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868405121 583977752 /nfs/dbraw/zinc/97/77/52/583977752.db2.gz HPNSSTMHGQVKQA-GFCCVEGCSA-N 1 3 296.415 -0.251 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980907 584024010 /nfs/dbraw/zinc/02/40/10/584024010.db2.gz DSHGDHRCOLVZLF-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCNCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980907 584024011 /nfs/dbraw/zinc/02/40/11/584024011.db2.gz DSHGDHRCOLVZLF-RYUDHWBXSA-N 1 3 255.362 -0.225 20 0 CBADHO COCCN(C)C(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000871604110 584043354 /nfs/dbraw/zinc/04/33/54/584043354.db2.gz TYLURUQGOMXNEC-CYBMUJFWSA-N 1 3 285.436 -0.028 20 0 CBADHO COCCN(C)C(=[NH2+])NCCCN1CCC(O)CC1 ZINC000871603371 584043383 /nfs/dbraw/zinc/04/33/83/584043383.db2.gz QBRLQYRNNPQXSF-UHFFFAOYSA-N 1 3 272.393 -0.064 20 0 CBADHO O=C1OC[C@@]2(C[NH2+]C[C@@H](O)CN3CCCC3)COCCN12 ZINC000872227457 584051471 /nfs/dbraw/zinc/05/14/71/584051471.db2.gz FHPYSCQBEZMTAL-TZMCWYRMSA-N 1 3 299.371 -0.746 20 0 CBADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000872276717 584053006 /nfs/dbraw/zinc/05/30/06/584053006.db2.gz QREOKTJQOGDWCX-NXEZZACHSA-N 1 3 268.361 -0.016 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277359 584053071 /nfs/dbraw/zinc/05/30/71/584053071.db2.gz YQNOATULJUANKM-QWRGUYRKSA-N 1 3 256.394 -0.230 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538071 584132163 /nfs/dbraw/zinc/13/21/63/584132163.db2.gz KQKISBOQJKLTMA-ZDUSSCGKSA-N 1 3 268.405 -0.134 20 0 CBADHO CC[NH2+]CC1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876541026 584132500 /nfs/dbraw/zinc/13/25/00/584132500.db2.gz QZSUOGQXOZCYEB-LBPRGKRZSA-N 1 3 256.394 -0.277 20 0 CBADHO CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000876542756 584132797 /nfs/dbraw/zinc/13/27/97/584132797.db2.gz SREWDNNTXYHRNT-WWKJKZQJSA-N 1 3 266.389 -0.357 20 0 CBADHO CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000876542755 584132846 /nfs/dbraw/zinc/13/28/46/584132846.db2.gz SREWDNNTXYHRNT-QITAHTHBSA-N 1 3 266.389 -0.357 20 0 CBADHO COCCN(C)CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876728510 584141437 /nfs/dbraw/zinc/14/14/37/584141437.db2.gz OKVXJOVATBXJHN-UWVGGRQHSA-N 1 3 279.331 -0.089 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876753967 584142503 /nfs/dbraw/zinc/14/25/03/584142503.db2.gz LESJVCNOCZGXBH-RYUDHWBXSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000876753967 584142504 /nfs/dbraw/zinc/14/25/04/584142504.db2.gz LESJVCNOCZGXBH-RYUDHWBXSA-N 1 3 254.378 -0.524 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000876756116 584142799 /nfs/dbraw/zinc/14/27/99/584142799.db2.gz ZVSTWQHFVBZCCT-ZDUSSCGKSA-N 1 3 298.431 -0.364 20 0 CBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876775458 584143838 /nfs/dbraw/zinc/14/38/38/584143838.db2.gz WFZOVBHYPTVZKM-NEPJUHHUSA-N 1 3 256.394 -0.325 20 0 CBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876775458 584143841 /nfs/dbraw/zinc/14/38/41/584143841.db2.gz WFZOVBHYPTVZKM-NEPJUHHUSA-N 1 3 256.394 -0.325 20 0 CBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](N)CN(C)C ZINC000876777342 584143990 /nfs/dbraw/zinc/14/39/90/584143990.db2.gz VRJZQHOCKQTNAY-RYUDHWBXSA-N 1 3 274.409 -0.652 20 0 CBADHO CN(C)C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000876794526 584145228 /nfs/dbraw/zinc/14/52/28/584145228.db2.gz XBWYRXQSUJJCNB-JQWIXIFHSA-N 1 3 277.372 -0.275 20 0 CBADHO Cn1ncc(C[NH3+])c1C(=O)N1CCNC(C)(C)C1 ZINC000876873255 584151831 /nfs/dbraw/zinc/15/18/31/584151831.db2.gz ZQWAORCCWPIQDF-UHFFFAOYSA-N 1 3 251.334 -0.297 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876917680 584155448 /nfs/dbraw/zinc/15/54/48/584155448.db2.gz AYHSPZSHBYWEDI-MELADBBJSA-N 1 3 298.431 -0.380 20 0 CBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876940483 584156969 /nfs/dbraw/zinc/15/69/69/584156969.db2.gz VXWJKEAPXUTJAP-QWRGUYRKSA-N 1 3 254.378 -0.334 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946150 584157325 /nfs/dbraw/zinc/15/73/25/584157325.db2.gz HLBUOVBFBRUNQA-GVXVVHGQSA-N 1 3 254.378 -0.537 20 0 CBADHO N[C@@H]1CN(C(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)CC[C@H]1F ZINC000876979242 584159385 /nfs/dbraw/zinc/15/93/85/584159385.db2.gz YIQNZSXLVWHWQR-WCTZXXKLSA-N 1 3 251.252 -0.276 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000876980514 584159722 /nfs/dbraw/zinc/15/97/22/584159722.db2.gz GGQLLLPCPCTLPA-STQMWFEESA-N 1 3 286.420 -0.556 20 0 CBADHO NC[C@H]1CC(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)=NO1 ZINC000877009931 584161661 /nfs/dbraw/zinc/16/16/61/584161661.db2.gz FTLQMAQVWFURLQ-MBNYWOFBSA-N 1 3 288.351 -0.038 20 0 CBADHO NC[C@@H]1CC(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)=NO1 ZINC000877009932 584161766 /nfs/dbraw/zinc/16/17/66/584161766.db2.gz FTLQMAQVWFURLQ-SGMGOOAPSA-N 1 3 288.351 -0.038 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877121045 584167403 /nfs/dbraw/zinc/16/74/03/584167403.db2.gz OPNSBDNMIKXTBS-NSHDSACASA-N 1 3 278.356 -0.240 20 0 CBADHO NC[C@H]1CC(C(=O)N2CCCCC[C@H]([NH3+])C2)=NO1 ZINC000877126197 584167465 /nfs/dbraw/zinc/16/74/65/584167465.db2.gz ZCGGRHSCQOIDBQ-VHSXEESVSA-N 1 3 254.334 -0.180 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141655 584167761 /nfs/dbraw/zinc/16/77/61/584167761.db2.gz BYVQLJCPBWSAKQ-AWEZNQCLSA-N 1 3 276.384 -0.163 20 0 CBADHO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000877146630 584168039 /nfs/dbraw/zinc/16/80/39/584168039.db2.gz WTVKLEFJZDDMPL-CMPLNLGQSA-N 1 3 266.345 -0.357 20 0 CBADHO CC1(C)CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)[NH2+]C1 ZINC000877151215 584168271 /nfs/dbraw/zinc/16/82/71/584168271.db2.gz IEAPWPVVAWDCMC-OUAUKWLOSA-N 1 3 255.362 -0.003 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250960 584172635 /nfs/dbraw/zinc/17/26/35/584172635.db2.gz UZRGNTNTUSPQKW-SRVKXCTJSA-N 1 3 254.378 -0.572 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250960 584172637 /nfs/dbraw/zinc/17/26/37/584172637.db2.gz UZRGNTNTUSPQKW-SRVKXCTJSA-N 1 3 254.378 -0.572 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877255554 584173320 /nfs/dbraw/zinc/17/33/20/584173320.db2.gz XQAJIMFFAYAPPM-GWCFXTLKSA-N 1 3 284.404 -0.410 20 0 CBADHO CC[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877339160 584179085 /nfs/dbraw/zinc/17/90/85/584179085.db2.gz TVTAXFRTNDAFFN-QWRGUYRKSA-N 1 3 255.362 -0.001 20 0 CBADHO CC(C)(N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877338762 584179129 /nfs/dbraw/zinc/17/91/29/584179129.db2.gz MIGUCEWTEPHROS-JTQLQIEISA-N 1 3 255.362 -0.001 20 0 CBADHO COCCNCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337154 584179167 /nfs/dbraw/zinc/17/91/67/584179167.db2.gz OQYRNXSBHNHVBY-GFCCVEGCSA-N 1 3 285.388 -0.503 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391069 584180509 /nfs/dbraw/zinc/18/05/09/584180509.db2.gz MJIRICIOTQVQOP-OSMZGAPFSA-N 1 3 282.388 -0.513 20 0 CBADHO COC(=O)CC[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390096 584180591 /nfs/dbraw/zinc/18/05/91/584180591.db2.gz HUROBEAVRCJPCB-OPQQBVKSSA-N 1 3 269.345 -0.332 20 0 CBADHO COC[C@@H](O)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000877505734 584183011 /nfs/dbraw/zinc/18/30/11/584183011.db2.gz XNUDUCVIVRSBNJ-LBPRGKRZSA-N 1 3 260.378 -0.181 20 0 CBADHO CN1CC[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574006 584241313 /nfs/dbraw/zinc/24/13/13/584241313.db2.gz VQGTUMWRXQQLHL-GHMZBOCLSA-N 1 3 268.361 -0.013 20 0 CBADHO CN1CC[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CC[C@H]21 ZINC000879574006 584241314 /nfs/dbraw/zinc/24/13/14/584241314.db2.gz VQGTUMWRXQQLHL-GHMZBOCLSA-N 1 3 268.361 -0.013 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580326 584241715 /nfs/dbraw/zinc/24/17/15/584241715.db2.gz SNQXOZQYBLCZPE-ILXRZTDVSA-N 1 3 285.432 -0.049 20 0 CBADHO COCCN(C)C[C@H](O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580326 584241716 /nfs/dbraw/zinc/24/17/16/584241716.db2.gz SNQXOZQYBLCZPE-ILXRZTDVSA-N 1 3 285.432 -0.049 20 0 CBADHO C[NH+](C)CC1(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000879993506 584258419 /nfs/dbraw/zinc/25/84/19/584258419.db2.gz SIBBDWMYLAZVNV-LBPRGKRZSA-N 1 3 269.389 -0.099 20 0 CBADHO Cc1cc(NCCN(C)CCOCCO)nc(N)n1 ZINC000882952499 584334732 /nfs/dbraw/zinc/33/47/32/584334732.db2.gz WSKRPORPKYPZSJ-UHFFFAOYSA-N 1 3 269.349 -0.280 20 0 CBADHO Cc1cc(NCC[N@@H+](C)CCOCCO)nc(N)n1 ZINC000882952499 584334734 /nfs/dbraw/zinc/33/47/34/584334734.db2.gz WSKRPORPKYPZSJ-UHFFFAOYSA-N 1 3 269.349 -0.280 20 0 CBADHO Cc1cc(NCC[N@H+](C)CCOCCO)nc(N)n1 ZINC000882952499 584334735 /nfs/dbraw/zinc/33/47/35/584334735.db2.gz WSKRPORPKYPZSJ-UHFFFAOYSA-N 1 3 269.349 -0.280 20 0 CBADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCn2cnnn2)CC1 ZINC000883429514 584341917 /nfs/dbraw/zinc/34/19/17/584341917.db2.gz XOGYDIQZKKBNNR-NEPJUHHUSA-N 1 3 266.349 -0.499 20 0 CBADHO CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000883448619 584342962 /nfs/dbraw/zinc/34/29/62/584342962.db2.gz KQSNDQGTPBZWSH-HZSPNIEDSA-N 1 3 279.384 -0.083 20 0 CBADHO CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000883448619 584342964 /nfs/dbraw/zinc/34/29/64/584342964.db2.gz KQSNDQGTPBZWSH-HZSPNIEDSA-N 1 3 279.384 -0.083 20 0 CBADHO [NH3+][C@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884020462 584356158 /nfs/dbraw/zinc/35/61/58/584356158.db2.gz YWRTYQYTGKHFDE-LBPRGKRZSA-N 1 3 275.356 -0.336 20 0 CBADHO CO[C@@H](CN)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000884025350 584356461 /nfs/dbraw/zinc/35/64/61/584356461.db2.gz TXBPKXZYVBEUEM-NSHDSACASA-N 1 3 253.302 -0.064 20 0 CBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000884358786 584376274 /nfs/dbraw/zinc/37/62/74/584376274.db2.gz YAGBWPSURHSTPC-UWVGGRQHSA-N 1 3 263.345 -0.089 20 0 CBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CC2CC2)C[C@H]1C[NH3+] ZINC000884385990 584378068 /nfs/dbraw/zinc/37/80/68/584378068.db2.gz BAEJBGCNTBBBMC-IJLUTSLNSA-N 1 3 255.362 -0.064 20 0 CBADHO CO[C@@H](CN)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000884449236 584382253 /nfs/dbraw/zinc/38/22/53/584382253.db2.gz ZJOWCUMOGDPAKK-LBPRGKRZSA-N 1 3 265.313 -0.156 20 0 CBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000884529807 584386816 /nfs/dbraw/zinc/38/68/16/584386816.db2.gz WSYWSSPYYGJMJP-TXEJJXNPSA-N 1 3 294.399 -0.450 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000884576189 584388770 /nfs/dbraw/zinc/38/87/70/584388770.db2.gz BNJJEEWICBSHKQ-CHWSQXEVSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000884577193 584388828 /nfs/dbraw/zinc/38/88/28/584388828.db2.gz ZHVOOZYHUPBKCV-JHJVBQTASA-N 1 3 296.415 -0.217 20 0 CBADHO CCN(CCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1)C1CC1 ZINC000884601216 584389630 /nfs/dbraw/zinc/38/96/30/584389630.db2.gz DVSWEDFLLJNDBJ-ZDUSSCGKSA-N 1 3 296.415 -0.203 20 0 CBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884617449 584391031 /nfs/dbraw/zinc/39/10/31/584391031.db2.gz MSAMBCRNKLQJGX-AVGNSLFASA-N 1 3 294.399 -0.450 20 0 CBADHO CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631378 584392158 /nfs/dbraw/zinc/39/21/58/584392158.db2.gz IGPXXPGLBRZDFP-GFCCVEGCSA-N 1 3 296.415 -0.170 20 0 CBADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCCN)CC1 ZINC000884672800 584394060 /nfs/dbraw/zinc/39/40/60/584394060.db2.gz DBFHNMYMGLHEKE-UHFFFAOYSA-N 1 3 296.415 -0.072 20 0 CBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCCN ZINC000884672947 584394070 /nfs/dbraw/zinc/39/40/70/584394070.db2.gz ICTWPSJCTLHYTF-UHFFFAOYSA-N 1 3 284.404 -0.214 20 0 CBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884704128 584398926 /nfs/dbraw/zinc/39/89/26/584398926.db2.gz VPHFMMXXNTYLTK-NSHDSACASA-N 1 3 284.404 -0.217 20 0 CBADHO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCCN(C)C ZINC000886893331 584451203 /nfs/dbraw/zinc/45/12/03/584451203.db2.gz POLSDBJXYYHXDT-NSHDSACASA-N 1 3 263.407 -0.048 20 0 CBADHO CN(CCO)CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000886967331 584452714 /nfs/dbraw/zinc/45/27/14/584452714.db2.gz XSYFRIIAQZTWFE-MRVPVSSYSA-N 1 3 286.298 -0.511 20 0 CBADHO CCN(C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000887066417 584460898 /nfs/dbraw/zinc/46/08/98/584460898.db2.gz LDKCPZLCIQNCIS-QWHCGFSZSA-N 1 3 296.415 -0.251 20 0 CBADHO CCN(C(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000887066416 584461019 /nfs/dbraw/zinc/46/10/19/584461019.db2.gz LDKCPZLCIQNCIS-OLZOCXBDSA-N 1 3 296.415 -0.251 20 0 CBADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891578893 584587174 /nfs/dbraw/zinc/58/71/74/584587174.db2.gz CASQCAKNILEHNC-KBPBESRZSA-N 1 3 295.431 -0.230 20 0 CBADHO C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891604221 584587799 /nfs/dbraw/zinc/58/77/99/584587799.db2.gz WLGWMKRLMKCOPU-MELADBBJSA-N 1 3 297.447 -0.094 20 0 CBADHO CN(C)CCOCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891842195 584593030 /nfs/dbraw/zinc/59/30/30/584593030.db2.gz QGDNYXPRXCMKTN-PHIMTYICSA-N 1 3 258.366 -0.399 20 0 CBADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892014510 584599164 /nfs/dbraw/zinc/59/91/64/584599164.db2.gz HRSKISZKNNVQJK-RYUDHWBXSA-N 1 3 284.404 -0.117 20 0 CBADHO COCCNCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892051723 584601564 /nfs/dbraw/zinc/60/15/64/584601564.db2.gz WUELXHVLTYUYES-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892051723 584601566 /nfs/dbraw/zinc/60/15/66/584601566.db2.gz WUELXHVLTYUYES-QWHCGFSZSA-N 1 3 284.404 -0.042 20 0 CBADHO COCCNCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892050261 584601657 /nfs/dbraw/zinc/60/16/57/584601657.db2.gz BNZIVMSTMOJHOW-PHIMTYICSA-N 1 3 256.350 -0.632 20 0 CBADHO COCCNCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892055620 584601854 /nfs/dbraw/zinc/60/18/54/584601854.db2.gz KQFAUTFYXLZDQO-NEPJUHHUSA-N 1 3 270.377 -0.242 20 0 CBADHO CCN(C(=O)NCCNCCOC)[C@H]1CC[NH2+]C1 ZINC000892054479 584601980 /nfs/dbraw/zinc/60/19/80/584601980.db2.gz CRZUHRKWVOAYIW-NSHDSACASA-N 1 3 258.366 -0.384 20 0 CBADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892061295 584602523 /nfs/dbraw/zinc/60/25/23/584602523.db2.gz FWCACGSJWFTAPS-ZJUUUORDSA-N 1 3 258.366 -0.522 20 0 CBADHO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892147087 584606092 /nfs/dbraw/zinc/60/60/92/584606092.db2.gz RVIAHPJCCHOYCK-MNOVXSKESA-N 1 3 272.393 -0.132 20 0 CBADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000892330299 584615166 /nfs/dbraw/zinc/61/51/66/584615166.db2.gz HUCHBDBEZDMUGY-CQSZACIVSA-N 1 3 297.447 -0.031 20 0 CBADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000892330299 584615168 /nfs/dbraw/zinc/61/51/68/584615168.db2.gz HUCHBDBEZDMUGY-CQSZACIVSA-N 1 3 297.447 -0.031 20 0 CBADHO CCN(CCO)CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463749 584617056 /nfs/dbraw/zinc/61/70/56/584617056.db2.gz QHGAVKLPYUCADM-UHFFFAOYSA-N 1 3 284.404 -0.034 20 0 CBADHO CN1CC[C@](O)(CNC(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892464032 584617079 /nfs/dbraw/zinc/61/70/79/584617079.db2.gz ZSPOVWNTEFXLSR-UBHUBRDASA-N 1 3 282.388 -0.282 20 0 CBADHO CN(C)C[C@](C)(O)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560906 584618724 /nfs/dbraw/zinc/61/87/24/584618724.db2.gz WCIBOQGQUXHAQO-JFGNBEQYSA-N 1 3 258.366 -0.665 20 0 CBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892593013 584620336 /nfs/dbraw/zinc/62/03/36/584620336.db2.gz GCNOYBHECGXUTI-QVHKTLOISA-N 1 3 296.415 -0.117 20 0 CBADHO CCC1([NH3+])CCN(C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000892933917 584629895 /nfs/dbraw/zinc/62/98/95/584629895.db2.gz TWIWIIFDTDJEOU-GFCCVEGCSA-N 1 3 283.420 -0.116 20 0 CBADHO C[NH+]1CCC(CN2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000893904398 584648744 /nfs/dbraw/zinc/64/87/44/584648744.db2.gz FNGIIHMLRPYYHI-NSHDSACASA-N 1 3 261.391 -0.309 20 0 CBADHO C[NH+]1C[C@]2(C)CN(c3nc(N)nc(N)n3)C[C@@]2(C)C1 ZINC000894802632 584664714 /nfs/dbraw/zinc/66/47/14/584664714.db2.gz QYENHUGZECNHGC-VXGBXAGGSA-N 1 3 263.349 -0.186 20 0 CBADHO C[C@@H]1CCN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000897441582 584716377 /nfs/dbraw/zinc/71/63/77/584716377.db2.gz HCQZPWPZSOUAHF-OCCSQVGLSA-N 1 3 286.420 -0.060 20 0 CBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000897514385 584719262 /nfs/dbraw/zinc/71/92/62/584719262.db2.gz PIBXXCMOPOGHAX-MELADBBJSA-N 1 3 296.415 -0.069 20 0 CBADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000897514385 584719263 /nfs/dbraw/zinc/71/92/63/584719263.db2.gz PIBXXCMOPOGHAX-MELADBBJSA-N 1 3 296.415 -0.069 20 0 CBADHO C[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000899737338 584778022 /nfs/dbraw/zinc/77/80/22/584778022.db2.gz HOYKNTGXMDYIFZ-LBPRGKRZSA-N 1 3 255.362 -0.347 20 0 CBADHO C[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000899737338 584778024 /nfs/dbraw/zinc/77/80/24/584778024.db2.gz HOYKNTGXMDYIFZ-LBPRGKRZSA-N 1 3 255.362 -0.347 20 0 CBADHO COCCN(C)CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900519217 584809766 /nfs/dbraw/zinc/80/97/66/584809766.db2.gz WKOILTTWOSBFEK-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO COCCN(C)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900519217 584809767 /nfs/dbraw/zinc/80/97/67/584809767.db2.gz WKOILTTWOSBFEK-CQSZACIVSA-N 1 3 287.404 -0.472 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900625634 584817293 /nfs/dbraw/zinc/81/72/93/584817293.db2.gz XTKAKGIOZODCKZ-UKRRQHHQSA-N 1 3 299.415 -0.330 20 0 CBADHO COCCN1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900625634 584817295 /nfs/dbraw/zinc/81/72/95/584817295.db2.gz XTKAKGIOZODCKZ-UKRRQHHQSA-N 1 3 299.415 -0.330 20 0 CBADHO CN1CCC[C@](O)(CC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000901184256 584853968 /nfs/dbraw/zinc/85/39/68/584853968.db2.gz CLRRFUCZIOVZPC-KGLIPLIRSA-N 1 3 287.404 -0.738 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000903421416 584890228 /nfs/dbraw/zinc/89/02/28/584890228.db2.gz OKTNAKRWFSSHKF-KFWWJZLASA-N 1 3 294.443 -0.014 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000903475786 584891108 /nfs/dbraw/zinc/89/11/08/584891108.db2.gz CXEYWDAMUHCMMW-YTWAJWBKSA-N 1 3 251.330 -0.612 20 0 CBADHO CC[C@H](C(N)=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493406 584891890 /nfs/dbraw/zinc/89/18/90/584891890.db2.gz RKMNSZLJGNIAJZ-WTBMIXGQSA-N 1 3 269.345 -0.537 20 0 CBADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903551087 584892993 /nfs/dbraw/zinc/89/29/93/584892993.db2.gz UQXVWZZIQXCNME-SNVBAGLBSA-N 1 3 263.407 -0.145 20 0 CBADHO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCNC1 ZINC000903562905 584893360 /nfs/dbraw/zinc/89/33/60/584893360.db2.gz LDKSGNQLYPFVBJ-CHWFTXMASA-N 1 3 259.375 -0.449 20 0 CBADHO O=S(=O)([C@@H]1CCCNC1)N1CCC[C@]12CC[NH2+]C2 ZINC000903591600 584894151 /nfs/dbraw/zinc/89/41/51/584894151.db2.gz GPLNFGDGANJMKU-VXGBXAGGSA-N 1 3 273.402 -0.104 20 0 CBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903746305 584897049 /nfs/dbraw/zinc/89/70/49/584897049.db2.gz CCYPVESSBODTDG-AGIUHOORSA-N 1 3 296.415 -0.265 20 0 CBADHO O[C@H](CN1CCNC[C@H]1C(F)F)C[NH+]1CCCC1 ZINC000903748969 584897240 /nfs/dbraw/zinc/89/72/40/584897240.db2.gz FBVWQKOJMNMIFN-QWRGUYRKSA-N 1 3 263.332 -0.018 20 0 CBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C ZINC000903750809 584897369 /nfs/dbraw/zinc/89/73/69/584897369.db2.gz UINGSERWLWPGKC-RWMBFGLXSA-N 1 3 296.415 -0.123 20 0 CBADHO CN(C)C(=O)[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903756451 584897641 /nfs/dbraw/zinc/89/76/41/584897641.db2.gz RUGYCPYMYBTXDG-YDHLFZDLSA-N 1 3 296.415 -0.883 20 0 CBADHO CC(=O)NCCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764705 584898114 /nfs/dbraw/zinc/89/81/14/584898114.db2.gz VGVZYFUMRZTRPG-CHWSQXEVSA-N 1 3 255.362 -0.177 20 0 CBADHO CN1C(=O)[C@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@H]2C1=O ZINC000903777980 584899328 /nfs/dbraw/zinc/89/93/28/584899328.db2.gz HPLQPJSRWCTASJ-UTUOFQBUSA-N 1 3 265.357 -0.077 20 0 CBADHO COCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000903837043 584901563 /nfs/dbraw/zinc/90/15/63/584901563.db2.gz AQIHCQLOEQBJHV-OLZOCXBDSA-N 1 3 269.389 -0.182 20 0 CBADHO O=C1NC[C@H]2CN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000903896876 584904131 /nfs/dbraw/zinc/90/41/31/584904131.db2.gz ALUODARZYMUFTE-WVMKXHBISA-N 1 3 292.383 -0.840 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+](C)C ZINC000968996998 614074075 /nfs/dbraw/zinc/07/40/75/614074075.db2.gz XBDVFRLONCOPFP-PWSUYJOCSA-N 1 3 270.377 -0.752 20 0 CBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1)[NH+](C)C ZINC000968996512 614074514 /nfs/dbraw/zinc/07/45/14/614074514.db2.gz JCGOVZLUFYSQCT-AGIUHOORSA-N 1 3 296.415 -0.348 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000959855751 614355443 /nfs/dbraw/zinc/35/54/43/614355443.db2.gz LBKCAHJGAKNSOO-RFQIPJPRSA-N 1 3 281.400 -0.102 20 0 CBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000959855751 614355445 /nfs/dbraw/zinc/35/54/45/614355445.db2.gz LBKCAHJGAKNSOO-RFQIPJPRSA-N 1 3 281.400 -0.102 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC000969985199 615374639 /nfs/dbraw/zinc/37/46/39/615374639.db2.gz FANLVGJIIJWUMC-AGIUHOORSA-N 1 3 296.415 -0.252 20 0 CBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1)N(C)C ZINC000969986317 615375068 /nfs/dbraw/zinc/37/50/68/615375068.db2.gz WNZGOMIFFLKNMF-UTUOFQBUSA-N 1 3 257.378 -0.102 20 0 CBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC000969074662 615603279 /nfs/dbraw/zinc/60/32/79/615603279.db2.gz NCVNEOCIKBBMTI-JHJVBQTASA-N 1 3 296.415 -0.204 20 0 CBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC000968922316 616045108 /nfs/dbraw/zinc/04/51/08/616045108.db2.gz WYNKQUGPZRZJJK-LLVKDONJSA-N 1 3 255.362 -0.347 20 0 CBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC000969800133 616166666 /nfs/dbraw/zinc/16/66/66/616166666.db2.gz JZIORMAFSYBEAL-OLZOCXBDSA-N 1 3 294.399 -0.593 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000967926520 616209997 /nfs/dbraw/zinc/20/99/97/616209997.db2.gz XMOJCXGVLXEDRB-OLZOCXBDSA-N 1 3 294.399 -0.497 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000970712761 616265263 /nfs/dbraw/zinc/26/52/63/616265263.db2.gz RMZVBROKJHZKBX-CHWSQXEVSA-N 1 3 294.399 -0.639 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000970712761 616265264 /nfs/dbraw/zinc/26/52/64/616265264.db2.gz RMZVBROKJHZKBX-CHWSQXEVSA-N 1 3 294.399 -0.639 20 0 CBADHO CC1(C)CC[C@H](CNS(=O)(=O)C2CNC2)[NH2+]C1 ZINC000923664931 658388237 /nfs/dbraw/zinc/38/82/37/658388237.db2.gz FKUAFPRCYZMLQI-SECBINFHSA-N 1 3 261.391 -0.344 20 0 CBADHO CC(C)OCC[C@H](O)CN1CCNCC[NH2+]CC1 ZINC000923459466 658286004 /nfs/dbraw/zinc/28/60/04/658286004.db2.gz BVPGXCIJKBSDME-ZDUSSCGKSA-N 1 3 259.394 -0.343 20 0 CBADHO [NH3+][C@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1C(F)(F)F ZINC000923678352 658397379 /nfs/dbraw/zinc/39/73/79/658397379.db2.gz WXTBDYRZATZCMJ-SFYZADRCSA-N 1 3 287.307 -0.501 20 0 CBADHO C[NH2+]CCN(C(C)C)S(=O)(=O)N1CCNCC1 ZINC000923677291 658397611 /nfs/dbraw/zinc/39/76/11/658397611.db2.gz RYDQPXUXGLNVHW-UHFFFAOYSA-N 1 3 264.395 -0.934 20 0 CBADHO C[C@H]1C[C@H](N(C)S(=O)(=O)N2CC[NH2+]CC2)CCN1C ZINC000923619585 658354035 /nfs/dbraw/zinc/35/40/35/658354035.db2.gz XNDOTSZNNMCZIK-NWDGAFQWSA-N 1 3 290.433 -0.449 20 0 CBADHO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923622875 658357920 /nfs/dbraw/zinc/35/79/20/658357920.db2.gz SUZIVCHUGRTHTM-LLVKDONJSA-N 1 3 275.418 -0.048 20 0 CBADHO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923622875 658357929 /nfs/dbraw/zinc/35/79/29/658357929.db2.gz SUZIVCHUGRTHTM-LLVKDONJSA-N 1 3 275.418 -0.048 20 0 CBADHO C[NH2+]CCC1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923637023 658369133 /nfs/dbraw/zinc/36/91/33/658369133.db2.gz UZIFMOFQLHHGRR-UHFFFAOYSA-N 1 3 261.391 -0.391 20 0 CBADHO C[C@@H](CCCC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923640778 658371117 /nfs/dbraw/zinc/37/11/17/658371117.db2.gz MPLBOBDRSMTGFL-JTQLQIEISA-N 1 3 264.395 -0.757 20 0 CBADHO C[NH2+]Cc1ccccc1CNS(=O)(=O)N1CCNCC1 ZINC000923652951 658378037 /nfs/dbraw/zinc/37/80/37/658378037.db2.gz VDQOQHUFDGRKOE-UHFFFAOYSA-N 1 3 298.412 -0.354 20 0 CBADHO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000923652573 658380025 /nfs/dbraw/zinc/38/00/25/658380025.db2.gz MALFKFFHEYOWRC-ONGXEEELSA-N 1 3 259.375 -0.651 20 0 CBADHO [NH3+][C@@H]1CCCCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923663054 658386688 /nfs/dbraw/zinc/38/66/88/658386688.db2.gz VBEPOFFSMHVGNO-LLVKDONJSA-N 1 3 276.406 -0.660 20 0 CBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)CCO ZINC000925007507 658754648 /nfs/dbraw/zinc/75/46/48/658754648.db2.gz QEOMYEMFNZFURC-VXGBXAGGSA-N 1 3 257.378 -0.101 20 0 CBADHO CCOC(=O)[C@](C)(O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481763 659472859 /nfs/dbraw/zinc/47/28/59/659472859.db2.gz LGAXKRMRJYGMSS-CYBMUJFWSA-N 1 3 288.388 -0.311 20 0 CBADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668054 656058970 /nfs/dbraw/zinc/05/89/70/656058970.db2.gz YGXYLVYDNANMPE-XQQFMLRXSA-N 1 3 267.373 -0.035 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250572382 656121975 /nfs/dbraw/zinc/12/19/75/656121975.db2.gz LHHYPMLCHVAIAG-OBJOEFQTSA-N 1 3 296.415 -0.171 20 0 CBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250572382 656121976 /nfs/dbraw/zinc/12/19/76/656121976.db2.gz LHHYPMLCHVAIAG-OBJOEFQTSA-N 1 3 296.415 -0.171 20 0 CBADHO C[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000446267944 656171844 /nfs/dbraw/zinc/17/18/44/656171844.db2.gz XOXSCBUZBAHZPL-UHFFFAOYSA-N 1 3 263.345 -0.121 20 0 CBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000702417773 656180509 /nfs/dbraw/zinc/18/05/09/656180509.db2.gz OFBATDBPEQXVSR-OLZOCXBDSA-N 1 3 268.405 -0.038 20 0 CBADHO C[C@]1(CO)C[N@@H+](C[C@@H](O)CN2CCCC2)C[C@@]1(C)CO ZINC000704410408 656184352 /nfs/dbraw/zinc/18/43/52/656184352.db2.gz BFHIWNATFRCZOM-SOUVJXGZSA-N 1 3 286.416 -0.244 20 0 CBADHO C[C@]1(CO)C[N@H+](C[C@@H](O)CN2CCCC2)C[C@@]1(C)CO ZINC000704410408 656184356 /nfs/dbraw/zinc/18/43/56/656184356.db2.gz BFHIWNATFRCZOM-SOUVJXGZSA-N 1 3 286.416 -0.244 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705179168 656185016 /nfs/dbraw/zinc/18/50/16/656185016.db2.gz SXSCPSPPMFXVGX-RYUDHWBXSA-N 1 3 256.394 -0.325 20 0 CBADHO CN(C)C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000705179168 656185015 /nfs/dbraw/zinc/18/50/15/656185015.db2.gz SXSCPSPPMFXVGX-RYUDHWBXSA-N 1 3 256.394 -0.325 20 0 CBADHO O=C(CCC1C[NH2+]C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000709443188 656195783 /nfs/dbraw/zinc/19/57/83/656195783.db2.gz CDWPVGJZHNEUMB-CHWSQXEVSA-N 1 3 267.373 -0.035 20 0 CBADHO COC(=O)[C@@](C)(O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710607308 656199250 /nfs/dbraw/zinc/19/92/50/656199250.db2.gz OMRNHYKYYJSADH-LBPRGKRZSA-N 1 3 274.361 -0.701 20 0 CBADHO CN1CCN(C(=O)C(=O)NCC[NH3+])CCC1(C)C ZINC000712688923 656211639 /nfs/dbraw/zinc/21/16/39/656211639.db2.gz LITPWORZUPWMDY-UHFFFAOYSA-N 1 3 256.350 -0.996 20 0 CBADHO COCCN(C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713204962 656211753 /nfs/dbraw/zinc/21/17/53/656211753.db2.gz HSUJTDDTTAKXQK-MDZLAQPJSA-N 1 3 255.362 -0.192 20 0 CBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1[nH]nc2c1CNCC2 ZINC000834746214 656242979 /nfs/dbraw/zinc/24/29/79/656242979.db2.gz BLHRJZRLUSKYQP-IUCAKERBSA-N 1 3 281.335 -0.173 20 0 CBADHO CN(C)C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000876909610 656245224 /nfs/dbraw/zinc/24/52/24/656245224.db2.gz CWVAITABWJYFNM-ZDUSSCGKSA-N 1 3 268.405 -0.134 20 0 CBADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897465849 656293581 /nfs/dbraw/zinc/29/35/81/656293581.db2.gz JEIPQRKVTYRTSF-MELADBBJSA-N 1 3 296.415 -0.211 20 0 CBADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897465849 656293584 /nfs/dbraw/zinc/29/35/84/656293584.db2.gz JEIPQRKVTYRTSF-MELADBBJSA-N 1 3 296.415 -0.211 20 0 CBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000897764838 656295018 /nfs/dbraw/zinc/29/50/18/656295018.db2.gz PXTKDCGEILYRSD-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000897764838 656295022 /nfs/dbraw/zinc/29/50/22/656295022.db2.gz PXTKDCGEILYRSD-QWHCGFSZSA-N 1 3 269.389 -0.099 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903755677 656322547 /nfs/dbraw/zinc/32/25/47/656322547.db2.gz BOLNYUMRHAMAHG-GFCCVEGCSA-N 1 3 298.431 -0.019 20 0 CBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904972553 656331229 /nfs/dbraw/zinc/33/12/29/656331229.db2.gz LNIFAGJNQNZCQC-IUODEOHRSA-N 1 3 296.415 -0.264 20 0 CBADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)C1(O)CCOCC1 ZINC000905060962 656336337 /nfs/dbraw/zinc/33/63/37/656336337.db2.gz ZMVJSXYIAMQCIF-TZMCWYRMSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060962 656336341 /nfs/dbraw/zinc/33/63/41/656336341.db2.gz ZMVJSXYIAMQCIF-TZMCWYRMSA-N 1 3 284.400 -0.037 20 0 CBADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)C1(O)CCOCC1 ZINC000905060962 656336345 /nfs/dbraw/zinc/33/63/45/656336345.db2.gz ZMVJSXYIAMQCIF-TZMCWYRMSA-N 1 3 284.400 -0.037 20 0 CBADHO O=C1NCCN1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000905481945 656359563 /nfs/dbraw/zinc/35/95/63/656359563.db2.gz ORJYIACOBRTTCJ-LLVKDONJSA-N 1 3 256.350 -0.942 20 0 CBADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)N(C)C ZINC000996315604 656407716 /nfs/dbraw/zinc/40/77/16/656407716.db2.gz PUHYDVPIENGDNG-QWRGUYRKSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996302072 656407734 /nfs/dbraw/zinc/40/77/34/656407734.db2.gz VZHKZFDLYIOUEA-NEPJUHHUSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC000996667031 656451545 /nfs/dbraw/zinc/45/15/45/656451545.db2.gz VYUQCQQMGJWPAP-LLVKDONJSA-N 1 3 296.415 -0.075 20 0 CBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCO)CC1)C1CC1 ZINC000996680070 656451573 /nfs/dbraw/zinc/45/15/73/656451573.db2.gz SKLMXXYGHZVLAH-CYBMUJFWSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC000996997084 656463698 /nfs/dbraw/zinc/46/36/98/656463698.db2.gz DZBGAFPVZDGQMJ-VXGBXAGGSA-N 1 3 296.415 -0.075 20 0 CBADHO O=C(CN1CCCC1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997307473 656472836 /nfs/dbraw/zinc/47/28/36/656472836.db2.gz RTGBHBZFDNHJNM-ZDUSSCGKSA-N 1 3 294.399 -0.449 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997368929 656474593 /nfs/dbraw/zinc/47/45/93/656474593.db2.gz XFCJTPDODPROBO-ZDUSSCGKSA-N 1 3 296.415 -0.073 20 0 CBADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000999374750 656625578 /nfs/dbraw/zinc/62/55/78/656625578.db2.gz RYQIAVVEORKDSI-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999409824 656628183 /nfs/dbraw/zinc/62/81/83/656628183.db2.gz TUGXBGNAQWPNGI-VOMCLLRMSA-N 1 3 282.388 -0.608 20 0 CBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999404114 656628250 /nfs/dbraw/zinc/62/82/50/656628250.db2.gz ZELNDKUAQNQACI-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999404114 656628256 /nfs/dbraw/zinc/62/82/56/656628256.db2.gz ZELNDKUAQNQACI-CHWSQXEVSA-N 1 3 296.415 -0.073 20 0 CBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)N(C)C ZINC000999490504 656630482 /nfs/dbraw/zinc/63/04/82/656630482.db2.gz QPXOTGVPAFEWLJ-GHMZBOCLSA-N 1 3 270.377 -0.608 20 0 CBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000908205306 656671282 /nfs/dbraw/zinc/67/12/82/656671282.db2.gz NLMJLKQMVJKQAL-UKRRQHHQSA-N 1 3 299.415 -0.594 20 0 CBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000908205306 656671295 /nfs/dbraw/zinc/67/12/95/656671295.db2.gz NLMJLKQMVJKQAL-UKRRQHHQSA-N 1 3 299.415 -0.594 20 0 CBADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000191605 656701076 /nfs/dbraw/zinc/70/10/76/656701076.db2.gz JXPBTDSJUSMWFM-RYUDHWBXSA-N 1 3 282.388 -0.463 20 0 CBADHO C[C@H](N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001000703008 656759243 /nfs/dbraw/zinc/75/92/43/656759243.db2.gz SVAGAEUNBZCGQF-NWDGAFQWSA-N 1 3 294.399 -0.463 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000917764 656773728 /nfs/dbraw/zinc/77/37/28/656773728.db2.gz MHPROOIBWHSXPB-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000917764 656773733 /nfs/dbraw/zinc/77/37/33/656773733.db2.gz MHPROOIBWHSXPB-MNOVXSKESA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000917768 656774576 /nfs/dbraw/zinc/77/45/76/656774576.db2.gz MHPROOIBWHSXPB-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000917768 656774583 /nfs/dbraw/zinc/77/45/83/656774583.db2.gz MHPROOIBWHSXPB-QWRGUYRKSA-N 1 3 268.361 -0.996 20 0 CBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001001007438 656785782 /nfs/dbraw/zinc/78/57/82/656785782.db2.gz KMYIJFGCAWWGRX-OLZOCXBDSA-N 1 3 296.415 -0.073 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001450720 656811520 /nfs/dbraw/zinc/81/15/20/656811520.db2.gz NHRYRTRBUXKLHD-ZDUSSCGKSA-N 1 3 267.373 -0.321 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001450720 656811523 /nfs/dbraw/zinc/81/15/23/656811523.db2.gz NHRYRTRBUXKLHD-ZDUSSCGKSA-N 1 3 267.373 -0.321 20 0 CBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001450714 656811978 /nfs/dbraw/zinc/81/19/78/656811978.db2.gz NHRYRTRBUXKLHD-CYBMUJFWSA-N 1 3 267.373 -0.321 20 0 CBADHO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001450714 656811982 /nfs/dbraw/zinc/81/19/82/656811982.db2.gz NHRYRTRBUXKLHD-CYBMUJFWSA-N 1 3 267.373 -0.321 20 0 CBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003636858 656865811 /nfs/dbraw/zinc/86/58/11/656865811.db2.gz XNWWQBPDEZFVPP-YPMHNXCESA-N 1 3 269.389 -0.243 20 0 CBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003636858 656865813 /nfs/dbraw/zinc/86/58/13/656865813.db2.gz XNWWQBPDEZFVPP-YPMHNXCESA-N 1 3 269.389 -0.243 20 0 CBADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001004146904 656881448 /nfs/dbraw/zinc/88/14/48/656881448.db2.gz BPXWEEHPRFABJE-NSHDSACASA-N 1 3 255.362 -0.489 20 0 CBADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001004146904 656881451 /nfs/dbraw/zinc/88/14/51/656881451.db2.gz BPXWEEHPRFABJE-NSHDSACASA-N 1 3 255.362 -0.489 20 0 CBADHO CN(CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000911059399 656937854 /nfs/dbraw/zinc/93/78/54/656937854.db2.gz GRGHTSZKRXMVED-OAHLLOKOSA-N 1 3 294.399 -0.449 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911160313 656966768 /nfs/dbraw/zinc/96/67/68/656966768.db2.gz AZJQPVRYPOCWLD-JHJVBQTASA-N 1 3 296.415 -0.170 20 0 CBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911161204 656967118 /nfs/dbraw/zinc/96/71/18/656967118.db2.gz IPVDIDIKNRDLRE-JHJVBQTASA-N 1 3 296.415 -0.299 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000911162115 656968071 /nfs/dbraw/zinc/96/80/71/656968071.db2.gz OYMKWLUCRJDYNO-YNEHKIRRSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911163789 656968503 /nfs/dbraw/zinc/96/85/03/656968503.db2.gz YPYWASCEGKUHDH-NSHDSACASA-N 1 3 282.388 -0.416 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336754 657022802 /nfs/dbraw/zinc/02/28/02/657022802.db2.gz MTJMPXGYUHQMKD-GRYCIOLGSA-N 1 3 282.388 -0.689 20 0 CBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911336808 657023004 /nfs/dbraw/zinc/02/30/04/657023004.db2.gz NVQJXNYLAWCCCC-OLZOCXBDSA-N 1 3 296.415 -0.216 20 0 CBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911337645 657023085 /nfs/dbraw/zinc/02/30/85/657023085.db2.gz UGGCESBURKPTND-FRRDWIJNSA-N 1 3 296.415 -0.441 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000911365167 657027996 /nfs/dbraw/zinc/02/79/96/657027996.db2.gz CANPTHFIWRRIOM-GRYCIOLGSA-N 1 3 296.415 -0.301 20 0 CBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370107 657028934 /nfs/dbraw/zinc/02/89/34/657028934.db2.gz PAFIRQTVANDNIK-GRYCIOLGSA-N 1 3 282.388 -0.689 20 0 CBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000911368166 657029325 /nfs/dbraw/zinc/02/93/25/657029325.db2.gz XVNIYALEOROEAO-VXGBXAGGSA-N 1 3 296.415 -0.347 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911521387 657066116 /nfs/dbraw/zinc/06/61/16/657066116.db2.gz NQULIWNLXJZKIW-GFCCVEGCSA-N 1 3 298.431 -0.101 20 0 CBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911550433 657075430 /nfs/dbraw/zinc/07/54/30/657075430.db2.gz BHQXFIPIWGIZPQ-KGYLQXTDSA-N 1 3 294.399 -0.452 20 0 CBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911560672 657078205 /nfs/dbraw/zinc/07/82/05/657078205.db2.gz QTFVNOKDQXPGSC-HAQNSBGRSA-N 1 3 284.404 -0.362 20 0 CBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CNCCN1C ZINC000911684277 657103256 /nfs/dbraw/zinc/10/32/56/657103256.db2.gz MPDAFIXGMKTJPA-SRVKXCTJSA-N 1 3 254.378 -0.382 20 0 CBADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911796274 657131223 /nfs/dbraw/zinc/13/12/23/657131223.db2.gz NGIOJIANHJYCRB-NTZNESFSSA-N 1 3 284.404 -0.315 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819759 657139896 /nfs/dbraw/zinc/13/98/96/657139896.db2.gz PZNLRPRJHCPMIB-QWHCGFSZSA-N 1 3 268.405 -0.086 20 0 CBADHO CN1CCNC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842480 657144859 /nfs/dbraw/zinc/14/48/59/657144859.db2.gz XVVNIMOTYIXFEL-CQSZACIVSA-N 1 3 280.416 -0.119 20 0 CBADHO CN1CCNC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911851369 657146950 /nfs/dbraw/zinc/14/69/50/657146950.db2.gz GSTBZNDMLZCLSF-WOPDTQHZSA-N 1 3 252.362 -0.757 20 0 CBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CNCCN1C ZINC000911870774 657150168 /nfs/dbraw/zinc/15/01/68/657150168.db2.gz OUORNGLNSGYQQL-NWDGAFQWSA-N 1 3 256.394 -0.278 20 0 CBADHO CSCC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911875766 657152681 /nfs/dbraw/zinc/15/26/81/657152681.db2.gz SSENXUZGPYNHIB-NXEZZACHSA-N 1 3 260.407 -0.832 20 0 CBADHO O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014457106 657361784 /nfs/dbraw/zinc/36/17/84/657361784.db2.gz OZCXYOGUPZHUTE-UONOGXRCSA-N 1 3 281.400 -0.099 20 0 CBADHO C[NH+](C)CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC000913678979 657581842 /nfs/dbraw/zinc/58/18/42/657581842.db2.gz HCSATOAENXVKTK-UHFFFAOYSA-N 1 3 269.389 -0.003 20 0 CBADHO C[C@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004497 657630387 /nfs/dbraw/zinc/63/03/87/657630387.db2.gz XYOLBWXPZXXQMH-RYUDHWBXSA-N 1 3 267.373 -0.347 20 0 CBADHO CN1CCN(C)[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000917960260 657822534 /nfs/dbraw/zinc/82/25/34/657822534.db2.gz OTMIYMYOBRRELL-RYUDHWBXSA-N 1 3 269.393 -0.765 20 0 CBADHO CN1CCN(C)[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000917960260 657822536 /nfs/dbraw/zinc/82/25/36/657822536.db2.gz OTMIYMYOBRRELL-RYUDHWBXSA-N 1 3 269.393 -0.765 20 0 CBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018634545 657830242 /nfs/dbraw/zinc/83/02/42/657830242.db2.gz JZGDZGMEZXULLK-STQMWFEESA-N 1 3 292.387 -0.437 20 0 CBADHO NC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018855257 657850574 /nfs/dbraw/zinc/85/05/74/657850574.db2.gz UBDHGHCWTNPYDU-RYUDHWBXSA-N 1 3 280.372 -0.996 20 0 CBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001018963362 657856030 /nfs/dbraw/zinc/85/60/30/657856030.db2.gz LHACQOKTKXANIS-RYUDHWBXSA-N 1 3 294.399 -0.450 20 0 CBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1)N(C)C ZINC001019032422 657858969 /nfs/dbraw/zinc/85/89/69/657858969.db2.gz WNZGOMIFFLKNMF-SDDRHHMPSA-N 1 3 257.378 -0.102 20 0 CBADHO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001019241674 657875833 /nfs/dbraw/zinc/87/58/33/657875833.db2.gz TYDZYZJKZFYOFZ-GRYCIOLGSA-N 1 3 255.362 -0.348 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289089 657880513 /nfs/dbraw/zinc/88/05/13/657880513.db2.gz UERYVYAHHWAQDQ-CYDGBPFRSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019289089 657880514 /nfs/dbraw/zinc/88/05/14/657880514.db2.gz UERYVYAHHWAQDQ-CYDGBPFRSA-N 1 3 296.415 -0.219 20 0 CBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019384213 657891035 /nfs/dbraw/zinc/89/10/35/657891035.db2.gz XDYBAMQRSBJMQL-RYUDHWBXSA-N 1 3 255.362 -0.489 20 0 CBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019380652 657891870 /nfs/dbraw/zinc/89/18/70/657891870.db2.gz IEAUDZSGOPOCLK-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019380652 657891875 /nfs/dbraw/zinc/89/18/75/657891875.db2.gz IEAUDZSGOPOCLK-QWRGUYRKSA-N 1 3 268.361 -0.854 20 0 CBADHO O=C(N1CC[C@H](N[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019659892 657926467 /nfs/dbraw/zinc/92/64/67/657926467.db2.gz QKAVQZHFWJLIMJ-RYUDHWBXSA-N 1 3 292.383 -0.839 20 0 CBADHO O=C(C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)N1CCC1 ZINC001019774886 657939336 /nfs/dbraw/zinc/93/93/36/657939336.db2.gz MELKBZOOYMODPD-ZDUSSCGKSA-N 1 3 294.399 -0.495 20 0 CBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)C(N)=O ZINC001020587856 658075358 /nfs/dbraw/zinc/07/53/58/658075358.db2.gz XIXZKVLBCXZPQZ-FDYHWXHSSA-N 1 3 296.415 -0.029 20 0 CBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020589829 658075719 /nfs/dbraw/zinc/07/57/19/658075719.db2.gz DJMIOVXUAHXKJE-SRVKXCTJSA-N 1 3 255.362 -0.443 20 0 CBADHO CC(C)[C@](C)(C[NH3+])NCCN1C(=O)CN(C)C1=O ZINC000923296162 658195134 /nfs/dbraw/zinc/19/51/34/658195134.db2.gz ODVPWXQHWMBZEI-LBPRGKRZSA-N 1 3 256.350 -0.157 20 0 CBADHO CN1CC(=O)N(CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000923331386 658215911 /nfs/dbraw/zinc/21/59/11/658215911.db2.gz GIAFYNZVGNJQEQ-QJPTWQEYSA-N 1 3 280.372 -0.060 20 0 CBADHO COC[C@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346906 658221939 /nfs/dbraw/zinc/22/19/39/658221939.db2.gz XNPQHCCHJNXAHZ-VXGBXAGGSA-N 1 3 273.377 -0.687 20 0 CBADHO COC[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346905 658222926 /nfs/dbraw/zinc/22/29/26/658222926.db2.gz XNPQHCCHJNXAHZ-RYUDHWBXSA-N 1 3 273.377 -0.687 20 0 CBADHO COC(=O)[C@@H](NC(CN)C[NH3+])c1cccc(OC)c1 ZINC000923358567 658229724 /nfs/dbraw/zinc/22/97/24/658229724.db2.gz CWOJRKOYJHVRIX-LBPRGKRZSA-N 1 3 267.329 -0.215 20 0 CBADHO Cc1ccc(OC[C@H](O)CNC(CN)C[NH3+])c(C)c1 ZINC000923355900 658230798 /nfs/dbraw/zinc/23/07/98/658230798.db2.gz FPQFWKZNXZROFT-CYBMUJFWSA-N 1 3 267.373 -0.081 20 0 CBADHO CN(CCNC(=O)N(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373302 658239564 /nfs/dbraw/zinc/23/95/64/658239564.db2.gz MGDNZGXQUIMZIB-NSHDSACASA-N 1 3 270.377 -0.432 20 0 CBADHO CN1CC(=O)N(CCN2CCC(CC[NH3+])CC2)C1=O ZINC000923387483 658250427 /nfs/dbraw/zinc/25/04/27/658250427.db2.gz OPYDHNCVEKRFLU-UHFFFAOYSA-N 1 3 268.361 -0.059 20 0 CBADHO CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1COCCO1 ZINC000923391750 658253155 /nfs/dbraw/zinc/25/31/55/658253155.db2.gz POYITMNTFPHIJB-NWDGAFQWSA-N 1 3 256.346 -0.288 20 0 CBADHO C[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923400638 658258690 /nfs/dbraw/zinc/25/86/90/658258690.db2.gz XLDYNMWPINXFSU-WCQGTBRESA-N 1 3 269.345 -0.376 20 0 CBADHO CN(C)C(=O)[C@@H]1CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923400836 658261178 /nfs/dbraw/zinc/26/11/78/658261178.db2.gz FSTIRUVTSPJUHM-NEPJUHHUSA-N 1 3 267.373 -0.083 20 0 CBADHO CCOC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413165 658269073 /nfs/dbraw/zinc/26/90/73/658269073.db2.gz DVOSFYXTXAXWDU-RVMXOQNASA-N 1 3 299.371 -0.749 20 0 CBADHO CCOC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413160 658272008 /nfs/dbraw/zinc/27/20/08/658272008.db2.gz DVOSFYXTXAXWDU-LOWDOPEQSA-N 1 3 299.371 -0.749 20 0 CBADHO NC(=O)c1ccc(CCN2CCNCC[NH2+]CC2)cc1 ZINC000923460458 658291189 /nfs/dbraw/zinc/29/11/89/658291189.db2.gz OJAFXJUTWKOXOL-UHFFFAOYSA-N 1 3 276.384 -0.177 20 0 CBADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](CC[NH3+])C2)C1 ZINC000923493126 658306597 /nfs/dbraw/zinc/30/65/97/658306597.db2.gz RIQXVMVFYLAAKY-ZIAGYGMSSA-N 1 3 296.415 -0.216 20 0 CBADHO CCS(=O)(=O)NCCN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495563 658307923 /nfs/dbraw/zinc/30/79/23/658307923.db2.gz CHXIGJRBVJXYLO-WDEREUQCSA-N 1 3 263.407 -0.158 20 0 CBADHO COC[C@@H](C)OC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515833 658311658 /nfs/dbraw/zinc/31/16/58/658311658.db2.gz NZXJDVSKTGEGLA-RQJABVFESA-N 1 3 272.389 -0.060 20 0 CBADHO O=S1(=O)NC[C@H]2CN(CCC3CC[NH2+]CC3)CCN21 ZINC000923549090 658317292 /nfs/dbraw/zinc/31/72/92/658317292.db2.gz GEQIXLOEHNPNMB-LBPRGKRZSA-N 1 3 288.417 -0.790 20 0 CBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923562113 658326925 /nfs/dbraw/zinc/32/69/25/658326925.db2.gz DIPKLXULNPWUPB-MNOVXSKESA-N 1 3 276.406 -0.662 20 0 CBADHO CC(C)C[C@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923568034 658331001 /nfs/dbraw/zinc/33/10/01/658331001.db2.gz DTTPQBBCDRATAB-SNVBAGLBSA-N 1 3 264.395 -0.901 20 0 CBADHO C[C@H](NS(=O)(=O)N1CCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000923568187 658332066 /nfs/dbraw/zinc/33/20/66/658332066.db2.gz WHQMNIZCDCEOHI-WDEREUQCSA-N 1 3 276.406 -0.886 20 0 CBADHO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923573636 658336320 /nfs/dbraw/zinc/33/63/20/658336320.db2.gz OYHQNVSASQDRBN-LLVKDONJSA-N 1 3 298.412 -0.054 20 0 CBADHO CCCC[C@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923577719 658336480 /nfs/dbraw/zinc/33/64/80/658336480.db2.gz UDXWINDLTWCPGM-SNVBAGLBSA-N 1 3 264.395 -0.757 20 0 CBADHO C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@H]1C[NH3+] ZINC000923573800 658337262 /nfs/dbraw/zinc/33/72/62/658337262.db2.gz RQTXLLUIDGXRJS-QWRGUYRKSA-N 1 3 276.406 -0.804 20 0 CBADHO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923634867 658366440 /nfs/dbraw/zinc/36/64/40/658366440.db2.gz GUXAQNVXIIAYOD-VXGBXAGGSA-N 1 3 290.433 -0.366 20 0 CBADHO CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)N1CCNCC1 ZINC000923657250 658383040 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CN1C[C@@H](O)C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000924980498 658687637 /nfs/dbraw/zinc/68/76/37/658687637.db2.gz GJTSSOZMVTUBFN-OLZOCXBDSA-N 1 3 269.389 -0.101 20 0 CBADHO C[C@H]1[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000925341777 658830832 /nfs/dbraw/zinc/83/08/32/658830832.db2.gz JPFLLQRZCGKEOZ-RVMXOQNASA-N 1 3 282.388 -0.461 20 0 CBADHO C[C@H]1[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000925341777 658830837 /nfs/dbraw/zinc/83/08/37/658830837.db2.gz JPFLLQRZCGKEOZ-RVMXOQNASA-N 1 3 282.388 -0.461 20 0 CBADHO CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925359969 658835067 /nfs/dbraw/zinc/83/50/67/658835067.db2.gz SEKMPUDZZPJCPC-MNOVXSKESA-N 1 3 268.361 -0.047 20 0 CBADHO CCC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925359969 658835069 /nfs/dbraw/zinc/83/50/69/658835069.db2.gz SEKMPUDZZPJCPC-MNOVXSKESA-N 1 3 268.361 -0.047 20 0 CBADHO CN1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925408053 658839996 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CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(CO)COCCN1C ZINC000926890789 658917985 /nfs/dbraw/zinc/91/79/85/658917985.db2.gz DSRZMKGNYGUOOD-IXXDHKBRSA-N 1 3 283.416 -0.391 20 0 CBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969403925 658986775 /nfs/dbraw/zinc/98/67/75/658986775.db2.gz SXJUKSJWEBWJKN-ICRTXTNUSA-N 1 3 295.383 -0.968 20 0 CBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC000970717214 659070136 /nfs/dbraw/zinc/07/01/36/659070136.db2.gz LHZNRTFRYKGYSU-WDEREUQCSA-N 1 3 268.361 -0.854 20 0 CBADHO NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970792610 659071286 /nfs/dbraw/zinc/07/12/86/659071286.db2.gz PTBUVYAGIXLHSN-GFCCVEGCSA-N 1 3 282.388 -0.462 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCO)C2)C1 ZINC000972335080 659117188 /nfs/dbraw/zinc/11/71/88/659117188.db2.gz MTOAIEXQHGJUBR-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1 ZINC000972335080 659117192 /nfs/dbraw/zinc/11/71/92/659117192.db2.gz MTOAIEXQHGJUBR-OLZOCXBDSA-N 1 3 269.389 -0.147 20 0 CBADHO C[C@H](O)[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930136961 659219536 /nfs/dbraw/zinc/21/95/36/659219536.db2.gz PXFASIQTHJUFAS-BYNSBNAKSA-N 1 3 285.432 -0.314 20 0 CBADHO CN1C[C@@]2(C)C[NH+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311099 659430524 /nfs/dbraw/zinc/43/05/24/659430524.db2.gz NRYYBQDHNOFWFT-RYUDHWBXSA-N 1 3 275.418 -0.061 20 0 CBADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986352342 659446135 /nfs/dbraw/zinc/44/61/35/659446135.db2.gz GKTQQMBSSUWIHX-JQWIXIFHSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986352344 659447577 /nfs/dbraw/zinc/44/75/77/659447577.db2.gz GKTQQMBSSUWIHX-PWSUYJOCSA-N 1 3 282.388 -0.465 20 0 CBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829802 659482840 /nfs/dbraw/zinc/48/28/40/659482840.db2.gz SMJGSYGLXNNTIU-JQWIXIFHSA-N 1 3 282.388 -0.608 20 0 CBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989520558 659592375 /nfs/dbraw/zinc/59/23/75/659592375.db2.gz VDVQNJUOYXNOIH-DGCLKSJQSA-N 1 3 296.415 -0.217 20 0 CBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC000990245399 659705607 /nfs/dbraw/zinc/70/56/07/659705607.db2.gz WLHVBFNCOXCBPG-ZYHUDNBSSA-N 1 3 282.388 -0.465 20 0 CBADHO CN(C)C[C@@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000935981887 659848914 /nfs/dbraw/zinc/84/89/14/659848914.db2.gz UFSNXDUPQAMBEM-NSHDSACASA-N 1 3 273.377 -0.864 20 0 CBADHO CN(CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)C1CCC1 ZINC000995900875 659910660 /nfs/dbraw/zinc/91/06/60/659910660.db2.gz AMFCAGWRSZZMCZ-GFCCVEGCSA-N 1 3 296.415 -0.217 20 0 CBADHO